A0A5K4F5D4_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A5K4F5D4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 675 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
1M42.5Very low64.7Low217 Ų21779.3 Ų79.3100%1.06938%0.38SS*.  0142.30-70.3-159.5174.700109.3
2P46.3Very low66.7Low31 Ų3173.5 Ų73.520%0.20135%0.351CS..  trans-57.1153.5166.9-0.69.4000110K4 I25P2-K4 PolarHBondContact O-N 2.88Å; P2-I25 HydrophobicContact CB-CD1 3.61Å; P2-I25 HydrophobicContact CG-CD1 3.73Å; P2-I25 HydrophobicContact CG-CG2 4.41Å
3D47.1Very low68.3Low86 Ų8675.8 Ų75.846%0.4635%0.354SS..  trans-47.9131.9175-172.9-17.2000109.8R5 S6 R370D3-R5 CarbonylContact O-C 3.52Å; D3-R5 PolarHBondContact O-N 2.94Å; D3-R5 PolarHBondContact OD1-N 3.47Å; D3-R5 VanDerWaalsContact OD1-N 3.08Å; D3-S6 PolarHBondContact O-N 3.43Å; D3-S6 VanDerWaalsContact O-N 3.08Å; D3-R370 PolarHBondContact N-O 3.07Å
4K50.4Low69.4Low204 Ų20481.4 Ų81.489%0.88738%0.377SS*.SBendtrans-56.7-19.4178.6-76.2-172.2177.4-177.10111.8P2 S6P2-K4 PolarHBondContact O-N 2.88Å; K4-S6 PolarHBondContact O-N 2.94Å
5R55.7Low70.6Confident206 Ų20676.7 Ų76.778%0.77736%0.357SS*.SBendtrans-95.962.4168-61.6-177-173.9177.22.6111.2D3 T7D3-R5 CarbonylContact O-C 3.52Å; D3-R5 PolarHBondContact O-N 2.94Å; D3-R5 PolarHBondContact OD1-N 3.47Å; D3-R5 VanDerWaalsContact OD1-N 3.08Å; R5-T7 PolarHBondContact O-N 3.47Å
6S61Low71.8Confident14 Ų1472.7 Ų72.710%0.09834%0.338CS..  trans-58133.3164.4-178.60000108.9D3 K4 I25 G371D3-S6 PolarHBondContact O-N 3.43Å; D3-S6 VanDerWaalsContact O-N 3.08Å; K4-S6 PolarHBondContact O-N 2.94Å; S6-I25 VanDerWaalsContact OG-CD1 3.31Å; S6-I25 WeakPolarHBondContact OG-CD1 3.22Å; S6-I25 WeakPolarHBondContact OG-CG1 3.2Å; S6-G371 PolarHBondContact OG-O 3.38Å
7T75.2Confident72.6Confident44 Ų4474.8 Ų74.827%0.2736%0.359SS..BIsolated β-bridgetrans-108.9129.5-174.545.50000110.5R5 Y374R5-T7 PolarHBondContact O-N 3.47Å; T7-Y374 WeakPolarHBondContact OG1-CD1 3.49Å
8Y83.4Confident73.3Confident13 Ų1373.5 Ų73.55%0.05135%0.354CS..  trans-57134.1176.1-68.7-93.2000111.7Y12 R13 I18 D19 R22 F24Y8-Y12 AromaticContact CD1-CD1 3.5Å; Y8-Y12 HydrophobicContact CD1-CD1 3.5Å; Y8-Y12 VanDerWaalsContact CD1-CD1 3.5Å; Y8-Y12 AromaticContact CD1-CE1 3.27Å; Y8-Y12 HydrophobicContact CD1-CE1 3.27Å; Y8-Y12 HydrophobicContact CD1-CG 4.32Å; Y8-Y12 AromaticContact CD1-CZ 3.91Å; Y8-Y12 HydrophobicContact CE1-CD1 4.32Å; Y8-Y12 AromaticContact CE1-CE1 3.63Å; Y8-Y12 HydrophobicContact CE1-CE1 3.63Å; Y8-Y12 AromaticContact CE1-CZ 3.97Å; Y8-Y12 HydrophobicContact CG-CD1 4.25Å; Y8-Y12 HydrophobicContact CG-CE1 4.32Å; Y8-R13 PolarHBondContact O-NE 3.03Å; Y8-R13 PolarHBondContact O-NH2 2.85Å; Y8-I18 HydrophobicContact CD2-CG2 3.53Å; Y8-I18 HydrophobicContact CE2-CG2 3.47Å; Y8-I18 VanDerWaalsContact CE2-CG2 3.47Å; Y8-I18 HydrophobicContact CG-CG1 4.44Å; Y8-I18 HydrophobicContact CG-CG2 4.23Å; Y8-D19 PolarHBondContact OH-O 3.38Å; Y8-R22 PolarHBondContact OH-O 3.5Å; Y8-F24 HydrophobicContact CD1-CB 4.12Å; Y8-F24 AromaticContact CD1-CD2 3.44Å; Y8-F24 HydrophobicContact CD1-CD2 3.44Å; Y8-F24 VanDerWaalsContact CD1-CD2 3.44Å; Y8-F24 HydrophobicContact CD1-CE2 4.25Å; Y8-F24 HydrophobicContact CD1-CG 4.14Å; Y8-F24 HydrophobicContact CD2-CB 4.46Å; Y8-F24 HydrophobicContact CE1-CB 4.11Å; Y8-F24 AromaticContact CE1-CD2 3.73Å; Y8-F24 HydrophobicContact CE1-CD2 3.73Å; Y8-F24 HydrophobicContact CE1-CG 4.4Å; Y8-F24 HydrophobicContact CE2-CB 4.4Å; Y8-F24 HydrophobicContact CG-CB 4.33Å; Y8-F24 HydrophobicContact CG-CD2 4.22Å
9P84.1Confident73.8Confident2 Ų272.9 Ų72.91%0.01335%0.353CS..  trans-55.4146.2174.6-22.329.7000112.3A11 Y12 R13 F24 F373 P419P9-A11 VanDerWaalsContact C-N 3.32Å; P9-A11 PolarHBondContact O-N 2.78Å; P9-Y12 VanDerWaalsContact O-CB 3.28Å; P9-Y12 WeakPolarHBondContact O-CB 3.46Å; P9-Y12 PolarHBondContact O-N 3.1Å; P9-Y12 VanDerWaalsContact O-N 3.11Å; P9-R13 WeakPolarHBondContact O-CG 3.47Å; P9-R13 PolarHBondContact O-N 3.34Å; P9-F24 HydrophobicContact CG-CE1 4.11Å; P9-F24 HydrophobicContact CG-CE2 4.24Å; P9-F24 HydrophobicContact CG-CZ 3.71Å; P9-F373 HydrophobicContact CG-CB 3.8Å; P9-P419 HydrophobicContact CG-CG 4.02Å
10N81.5Confident74.2Confident35 Ų3577.6 Ų77.619%0.18737%0.374CS..Hα-helixtrans-59.1-40.6179.6-75.3-25.6000113.2Y12 R13 K14 H375 R376N10-Y12 VanDerWaalsContact C-N 3.29Å; N10-Y12 PolarHBondContact O-N 2.84Å; N10-R13 PolarHBondContact O-N 3.31Å; N10-K14 WeakPolarHBondContact O-CG 3.39Å; N10-K14 PolarHBondContact O-N 3.45Å; N10-H375 PolarHBondContact ND2-O 3.18Å; N10-R376 WeakPolarHBondContact ND2-CG 3.36Å; N10-R376 PolarHBondContact OD1-NE 3.43Å; N10-R376 VanDerWaalsContact OD1-NE 3.12Å
11A84.4Confident74.5Confident20 Ų2078.7 Ų78.717%0.16539%0.39CS..Hα-helixtrans-62.8-39.7177.700000111.2P9 K14 C15 V395 C396P9-A11 VanDerWaalsContact C-N 3.32Å; P9-A11 PolarHBondContact O-N 2.78Å; A11-K14 PolarHBondContact O-N 2.91Å; A11-C15 PolarHBondContact O-SG 2.74Å; A11-C15 VanDerWaalsContact O-SG 3.34Å; A11-V395 WeakPolarHBondContact CB-O 2.89Å; A11-C396 HydrophobicContact CB-CB 4.15Å
12Y89Confident76.1Confident10 Ų1075 Ų754%0.03936%0.364CS..Hα-helixtrans-59.2-49.5173.7-175.3-77.9000111.6Y8 P9 N10 K14 C15 F16 F24 K274 F275Y8-Y12 AromaticContact CD1-CD1 3.5Å; Y8-Y12 HydrophobicContact CD1-CD1 3.5Å; Y8-Y12 VanDerWaalsContact CD1-CD1 3.5Å; Y8-Y12 AromaticContact CD1-CE1 3.27Å; Y8-Y12 HydrophobicContact CD1-CE1 3.27Å; Y8-Y12 HydrophobicContact CD1-CG 4.32Å; Y8-Y12 AromaticContact CD1-CZ 3.91Å; Y8-Y12 HydrophobicContact CE1-CD1 4.32Å; Y8-Y12 AromaticContact CE1-CE1 3.63Å; Y8-Y12 HydrophobicContact CE1-CE1 3.63Å; Y8-Y12 AromaticContact CE1-CZ 3.97Å; Y8-Y12 HydrophobicContact CG-CD1 4.25Å; Y8-Y12 HydrophobicContact CG-CE1 4.32Å; P9-Y12 VanDerWaalsContact O-CB 3.28Å; P9-Y12 WeakPolarHBondContact O-CB 3.46Å; P9-Y12 PolarHBondContact O-N 3.1Å; P9-Y12 VanDerWaalsContact O-N 3.11Å; N10-Y12 VanDerWaalsContact C-N 3.29Å; N10-Y12 PolarHBondContact O-N 2.84Å; Y12-K14 PolarHBondContact O-N 3.48Å; Y12-C15 PolarHBondContact O-N 3.3Å; Y12-F16 HydrophobicContact CD1-CB 3.92Å; Y12-F16 HydrophobicContact CD1-CD2 4.37Å; Y12-F16 AromaticContact CD2-CD2 3.8Å; Y12-F16 HydrophobicContact CD2-CD2 3.8Å; Y12-F16 HydrophobicContact CD2-CE2 4.48Å; Y12-F16 HydrophobicContact CD2-CG 4.38Å; Y12-F16 HydrophobicContact CE1-CB 3.48Å; Y12-F16 VanDerWaalsContact CE1-CB 3.48Å; Y12-F16 HydrophobicContact CE1-CD2 4.47Å; Y12-F16 HydrophobicContact CE1-CG 4.26Å; Y12-F16 HydrophobicContact CE2-CB 4.21Å; Y12-F16 AromaticContact CE2-CD2 3.95Å; Y12-F16 HydrophobicContact CE2-CD2 3.95Å; Y12-F16 HydrophobicContact CE2-CG 4.11Å; Y12-F16 HydrophobicContact CG-CB 4.43Å; Y12-F16 HydrophobicContact CG-CD2 4.04Å; Y12-F16 PolarHBondContact O-N 2.6Å; Y12-F24 HydrophobicContact CD2-CE2 4.03Å; Y12-F24 HydrophobicContact CE2-CE2 4.11Å; Y12-F24 HydrophobicContact CG-CE2 4.48Å; Y12-K274 HydrophobicContact CE2-CB 4.16Å; Y12-K274 WeakPolarHBondContact CE2-O 3.47Å; Y12-K274 VanDerWaalsContact CZ-O 3.3Å; Y12-K274 WeakPolarHBondContact OH-CB 3.37Å; Y12-K274 PolarHBondContact OH-O 3.09Å; Y12-F275 HydrophobicContact CD2-CD1 4.17Å; Y12-F275 HydrophobicContact CD2-CE1 4.01Å; Y12-F275 HydrophobicContact CE2-CD1 4.23Å; Y12-F275 HydrophobicContact CE2-CE1 4.2Å; Y12-F275 HydrophobicContact CE2-CZ 4.43Å
13R86.6Confident78Confident103 Ų10376.1 Ų76.139%0.38937%0.372SS..Hα-helixtrans-61.1-21.3-179.3-58.2-175.9-169-161.7-2114.4Y8 P9 N10 I18Y8-R13 PolarHBondContact O-NE 3.03Å; Y8-R13 PolarHBondContact O-NH2 2.85Å; P9-R13 WeakPolarHBondContact O-CG 3.47Å; P9-R13 PolarHBondContact O-N 3.34Å; N10-R13 PolarHBondContact O-N 3.31Å; R13-I18 HydrophobicContact CB-CD1 4.09Å; R13-I18 HydrophobicContact CG-CD1 3.5Å; R13-I18 VanDerWaalsContact CG-CD1 3.5Å; R13-I18 HydrophobicContact CG-CG1 4.12Å
14K84.4Confident80Confident155 Ų15572 Ų7267%0.67435%0.35SS*.THydrogen-bonded Turntrans-82-17.3175.9-68.4177.9-179.4-175.10112.8N10 A11 Y12N10-K14 WeakPolarHBondContact O-CG 3.39Å; N10-K14 PolarHBondContact O-N 3.45Å; A11-K14 PolarHBondContact O-N 2.91Å; Y12-K14 PolarHBondContact O-N 3.48Å
15C87.1Confident81.9Confident11 Ų1162.8 Ų62.87%0.07431%0.311CS..THydrogen-bonded Turntrans-117.1-26.9-171.9-55.80000112.6A11 Y12 T327A11-C15 PolarHBondContact O-SG 2.74Å; A11-C15 VanDerWaalsContact O-SG 3.34Å; Y12-C15 PolarHBondContact O-N 3.3Å; C15-T327 HydrophobicContact CB-CG2 4.08Å
16F90Very high83.7Confident12 Ų1253.3 Ų53.35%0.05328%0.276CS..SBendtrans-130.6143.2-172.7-58.1-83.1000111.4Y12 K274 F275 N277 S280 C396Y12-F16 HydrophobicContact CD1-CB 3.92Å; Y12-F16 HydrophobicContact CD1-CD2 4.37Å; Y12-F16 AromaticContact CD2-CD2 3.8Å; Y12-F16 HydrophobicContact CD2-CD2 3.8Å; Y12-F16 HydrophobicContact CD2-CE2 4.48Å; Y12-F16 HydrophobicContact CD2-CG 4.38Å; Y12-F16 HydrophobicContact CE1-CB 3.48Å; Y12-F16 VanDerWaalsContact CE1-CB 3.48Å; Y12-F16 HydrophobicContact CE1-CD2 4.47Å; Y12-F16 HydrophobicContact CE1-CG 4.26Å; Y12-F16 HydrophobicContact CE2-CB 4.21Å; Y12-F16 AromaticContact CE2-CD2 3.95Å; Y12-F16 HydrophobicContact CE2-CD2 3.95Å; Y12-F16 HydrophobicContact CE2-CG 4.11Å; Y12-F16 HydrophobicContact CG-CB 4.43Å; Y12-F16 HydrophobicContact CG-CD2 4.04Å; Y12-F16 PolarHBondContact O-N 2.6Å; F16-K274 WeakPolarHBondContact CD1-O 3.35Å; F16-F275 VanDerWaalsContact CZ-C 3.49Å; F16-F275 WeakPolarHBondContact CZ-O 3.35Å; F16-N277 WeakPolarHBondContact CD1-ND2 3.21Å; F16-N277 HydrophobicContact CE1-CB 4.31Å; F16-S280 WeakPolarHBondContact CE1-OG 3.5Å; F16-C396 VanDerWaalsContact CE2-SG 3.55Å
17P85.7Confident85.2Confident108 Ų10858.6 Ų58.670%0.70131%0.307SS*.  trans-62.8147.9170.428.4-33.7000110.5
18I85.5Confident86.1Confident52 Ų5258.7 Ų58.727%0.26731%0.305SS..  trans-98.1118.4179.1-59.5174.5000108.8Y8 R13Y8-I18 HydrophobicContact CD2-CG2 3.53Å; Y8-I18 HydrophobicContact CE2-CG2 3.47Å; Y8-I18 VanDerWaalsContact CE2-CG2 3.47Å; Y8-I18 HydrophobicContact CG-CG1 4.44Å; Y8-I18 HydrophobicContact CG-CG2 4.23Å; R13-I18 HydrophobicContact CB-CD1 4.09Å; R13-I18 HydrophobicContact CG-CD1 3.5Å; R13-I18 VanDerWaalsContact CG-CD1 3.5Å; R13-I18 HydrophobicContact CG-CG1 4.12Å
19D82.3Confident86.6Confident63 Ų6358.3 Ų58.334%0.33730%0.304SS..  trans-89.5104.2165.6-175.9-4.1000109.1Y8 S21 R22Y8-D19 PolarHBondContact OH-O 3.38Å; D19-S21 VanDerWaalsContact CG-OG 3.24Å; D19-S21 PolarHBondContact O-N 3.46Å; D19-S21 WeakPolarHBondContact OD1-CA 3.33Å; D19-S21 VanDerWaalsContact OD1-CB 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.43Å; D19-S21 PolarHBondContact OD1-N 2.82Å; D19-S21 PolarHBondContact OD1-OG 3.31Å; D19-S21 PolarHBondContact OD2-OG 3.04Å; D19-R22 HydrophobicContact CB-CB 4.43Å; D19-R22 PolarHBondContact O-N 2.93Å; D19-R22 VanDerWaalsContact O-O 3.06Å; D19-R22 WeakPolarHBondContact OD2-CD 3.32Å; D19-R22 VanDerWaalsContact OD2-CG 3.27Å; D19-R22 WeakPolarHBondContact OD2-CG 3.5Å; D19-R22 IonicContact OD2-NE 2.81Å; D19-R22 PolarHBondContact OD2-NE 3.45Å
20H81.2Confident87.1Confident165 Ų16562.1 Ų62.176%0.76432%0.324SS*.THydrogen-bonded Turntrans-71.7-14.8178.4-72.9-72.7000113.4R22H20-R22 VanDerWaalsContact C-N 3.3Å
21S80.9Confident87.8Confident102 Ų10265.8 Ų65.871%0.71334%0.34SS*.THydrogen-bonded Turntrans-77.5-19.2174.777.70000112.4D19D19-S21 VanDerWaalsContact CG-OG 3.24Å; D19-S21 PolarHBondContact O-N 3.46Å; D19-S21 WeakPolarHBondContact OD1-CA 3.33Å; D19-S21 VanDerWaalsContact OD1-CB 3.27Å; D19-S21 WeakPolarHBondContact OD1-CB 3.43Å; D19-S21 PolarHBondContact OD1-N 2.82Å; D19-S21 PolarHBondContact OD1-OG 3.31Å; D19-S21 PolarHBondContact OD2-OG 3.04Å
22R77.3Confident88.4Confident140 Ų14065 Ų6553%0.52833%0.333SS..SBendtrans-112.4138.4-177.6-66.8-178.6-175.1-174.91.5111.8Y8 D19 H20Y8-R22 PolarHBondContact OH-O 3.5Å; D19-R22 HydrophobicContact CB-CB 4.43Å; D19-R22 PolarHBondContact O-N 2.93Å; D19-R22 VanDerWaalsContact O-O 3.06Å; D19-R22 WeakPolarHBondContact OD2-CD 3.32Å; D19-R22 VanDerWaalsContact OD2-CG 3.27Å; D19-R22 WeakPolarHBondContact OD2-CG 3.5Å; D19-R22 IonicContact OD2-NE 2.81Å; D19-R22 PolarHBondContact OD2-NE 3.45Å; H20-R22 VanDerWaalsContact C-N 3.3Å
23S85.6Confident88.8Confident53 Ų5364.6 Ų64.637%0.37133%0.331SS..  trans-64.3139.7168170.50000110.1I25 K274S23-I25 VanDerWaalsContact C-N 3.33Å; S23-I25 WeakPolarHBondContact CB-O 3.36Å; S23-I25 PolarHBondContact OG-N 3.33Å; S23-I25 VanDerWaalsContact OG-N 3.12Å; S23-I25 PolarHBondContact OG-O 2.84Å; S23-K274 PolarHBondContact O-NZ 3.43Å
24F88.4Confident89.2Confident0 Ų061.9 Ų61.90%032%0.324CS..SBendtrans-59.9-46.6168.7175.8-108.5000110.4Y8 P9 Y12 K274 F275 F373 P419 V438Y8-F24 HydrophobicContact CD1-CB 4.12Å; Y8-F24 AromaticContact CD1-CD2 3.44Å; Y8-F24 HydrophobicContact CD1-CD2 3.44Å; Y8-F24 VanDerWaalsContact CD1-CD2 3.44Å; Y8-F24 HydrophobicContact CD1-CE2 4.25Å; Y8-F24 HydrophobicContact CD1-CG 4.14Å; Y8-F24 HydrophobicContact CD2-CB 4.46Å; Y8-F24 HydrophobicContact CE1-CB 4.11Å; Y8-F24 AromaticContact CE1-CD2 3.73Å; Y8-F24 HydrophobicContact CE1-CD2 3.73Å; Y8-F24 HydrophobicContact CE1-CG 4.4Å; Y8-F24 HydrophobicContact CE2-CB 4.4Å; Y8-F24 HydrophobicContact CG-CB 4.33Å; Y8-F24 HydrophobicContact CG-CD2 4.22Å; P9-F24 HydrophobicContact CG-CE1 4.11Å; P9-F24 HydrophobicContact CG-CE2 4.24Å; P9-F24 HydrophobicContact CG-CZ 3.71Å; Y12-F24 HydrophobicContact CD2-CE2 4.03Å; Y12-F24 HydrophobicContact CE2-CE2 4.11Å; Y12-F24 HydrophobicContact CG-CE2 4.48Å; F24-K274 PolarHBondContact O-NZ 3.41Å; F24-F275 HydrophobicContact CE2-CE1 4.15Å; F24-F275 HydrophobicContact CE2-CE2 4.35Å; F24-F275 AromaticContact CE2-CZ 3.57Å; F24-F275 HydrophobicContact CE2-CZ 3.57Å; F24-F275 HydrophobicContact CZ-CE1 4.11Å; F24-F275 AromaticContact CZ-CZ 3.57Å; F24-F275 HydrophobicContact CZ-CZ 3.57Å; F24-F373 HydrophobicContact CD1-CD2 4.14Å; F24-F373 HydrophobicContact CE1-CB 4.3Å; F24-F373 AromaticContact CE1-CD2 3.85Å; F24-F373 HydrophobicContact CE1-CD2 3.85Å; F24-F373 HydrophobicContact CE1-CE2 4.42Å; F24-F373 HydrophobicContact CE1-CG 4.09Å; F24-P419 HydrophobicContact CE1-CG 4.29Å; F24-P419 HydrophobicContact CZ-CG 3.86Å; F24-V438 HydrophobicContact CZ-CG1 4.45Å; F24-V438 WeakPolarHBondContact O-CG1 3.18Å
25I91.7Very high89.8Confident10 Ų1059.2 Ų59.25%0.05132%0.316CS..SBendtrans-73.4139.1178.7-63.8165.2000110.6P2 S6 S23 L29 F373P2-I25 HydrophobicContact CB-CD1 3.61Å; P2-I25 HydrophobicContact CG-CD1 3.73Å; P2-I25 HydrophobicContact CG-CG2 4.41Å; S6-I25 VanDerWaalsContact OG-CD1 3.31Å; S6-I25 WeakPolarHBondContact OG-CD1 3.22Å; S6-I25 WeakPolarHBondContact OG-CG1 3.2Å; S23-I25 VanDerWaalsContact C-N 3.33Å; S23-I25 WeakPolarHBondContact CB-O 3.36Å; S23-I25 PolarHBondContact OG-N 3.33Å; S23-I25 VanDerWaalsContact OG-N 3.12Å; S23-I25 PolarHBondContact OG-O 2.84Å; I25-L29 HydrophobicContact CG2-CB 4.2Å; I25-L29 HydrophobicContact CG2-CD2 3.58Å; I25-L29 HydrophobicContact CG2-CG 4.47Å; I25-F373 HydrophobicContact CD1-CE2 4.26Å; I25-F373 HydrophobicContact CG1-CE2 4.18Å
26S92.6Very high90.3Very high7 Ų760.4 Ų60.45%0.04933%0.325CS..  trans-60.5138.8176.1-166.70000112.4H28 L29 E272 V438S26-H28 PolarHBondContact O-N 3.07Å; S26-H28 PolarHBondContact OG-N 3.36Å; S26-L29 WeakPolarHBondContact O-CB 3.46Å; S26-L29 PolarHBondContact O-N 2.47Å; S26-E272 WeakPolarHBondContact CA-OE1 3.11Å; S26-E272 WeakPolarHBondContact CB-OE1 3.33Å; S26-E272 PolarHBondContact OG-OE1 2.82Å; S26-V438 WeakPolarHBondContact CB-O 3.44Å; S26-V438 PolarHBondContact N-O 2.98Å
27V92.5Very high90.5Very high125 Ų12562.5 Ų62.576%0.75834%0.336SS*.THydrogen-bonded Turntrans-67.2-20.6169.2-61.60000112
28H93.9Very high90.9Very high47 Ų4762.9 Ų62.922%0.21834%0.339CS..THydrogen-bonded Turntrans-90.64.9179.6-56.7-68.1000113.3S26 N30 Q31 Q32 P46S26-H28 PolarHBondContact O-N 3.07Å; S26-H28 PolarHBondContact OG-N 3.36Å; H28-N30 PolarHBondContact O-N 2.79Å; H28-Q31 CarbonylContact O-C 3.57Å; H28-Q31 PolarHBondContact O-N 3.12Å; H28-Q32 WeakPolarHBondContact O-CG 3.46Å; H28-Q32 PolarHBondContact O-N 3.17Å; H28-P46 HydrophobicContact CB-CG 4.08Å; H28-P46 PolarHBondContact CE1-O 3.26Å
29L93.9Very high91.3Very high5 Ų569.7 Ų69.73%0.02637%0.367CS..THydrogen-bonded Turntrans-55.2-33.4-175.2178.663.1000113.5I25 S26 Q32 E440 R442I25-L29 HydrophobicContact CG2-CB 4.2Å; I25-L29 HydrophobicContact CG2-CD2 3.58Å; I25-L29 HydrophobicContact CG2-CG 4.47Å; S26-L29 WeakPolarHBondContact O-CB 3.46Å; S26-L29 PolarHBondContact O-N 2.47Å; L29-Q32 WeakPolarHBondContact O-CG 3.45Å; L29-Q32 PolarHBondContact O-NE2 3.18Å; L29-E440 HydrophobicContact CD1-CB 4.12Å; L29-R442 VanDerWaalsContact CD1-NH2 3.26Å; L29-R442 PolarHBondContact O-NH2 3.1Å
30N94.6Very high91.8Very high82 Ų8269.6 Ų69.644%0.43937%0.369SS..THydrogen-bonded Turntrans-103.48.6179.8-58.7-44.6000113.7H28 R442 E514H28-N30 PolarHBondContact O-N 2.79Å; N30-R442 PolarHBondContact OD1-NH1 2.95Å; N30-R442 VanDerWaalsContact OD1-NH1 3.09Å; N30-E514 HydrophobicContact CB-CG 4.5Å
31Q96Very high92.5Very high111 Ų11163.2 Ų63.252%0.51935%0.347SS..  trans-149.880.5173.9-174.5179.422.300106H28 I34 P46 E514H28-Q31 CarbonylContact O-C 3.57Å; H28-Q31 PolarHBondContact O-N 3.12Å; Q31-I34 HydrophobicContact CG-CG2 4.13Å; Q31-P46 WeakPolarHBondContact O-CG 3.43Å; Q31-E514 CarbonylContact C-O 3.55Å; Q31-E514 WeakPolarHBondContact CA-O 3.47Å
32Q96.5Very high93.3Very high3 Ų358.4 Ų58.41%0.01431%0.313CS..  trans-89-9.2-171.8-62.3-170.429.600113H28 L29 P46 S437 E440 G448 V449 E514H28-Q32 WeakPolarHBondContact O-CG 3.46Å; H28-Q32 PolarHBondContact O-N 3.17Å; L29-Q32 WeakPolarHBondContact O-CG 3.45Å; L29-Q32 PolarHBondContact O-NE2 3.18Å; Q32-P46 WeakPolarHBondContact O-CD 3.47Å; Q32-S437 WeakPolarHBondContact CG-OG 3.37Å; Q32-S437 PolarHBondContact OE1-OG 3.49Å; Q32-E440 PolarHBondContact NE2-OE2 2.74Å; Q32-G448 VanDerWaalsContact O-CA 3.28Å; Q32-G448 WeakPolarHBondContact O-CA 3.19Å; Q32-V449 PolarHBondContact O-N 3.47Å; Q32-E514 PolarHBondContact N-O 3.01Å
33S97.4Very high94.3Very high2 Ų253.7 Ų53.71%0.01430%0.296CS..  trans-155.1152.6168.764.30000110.7R43 R44 G515S33-R43 PolarHBondContact O-NH2 3.39Å; S33-R43 PolarHBondContact OG-NE 3.39Å; S33-R43 PolarHBondContact OG-NH2 3.15Å; S33-R44 WeakPolarHBondContact CA-O 3.31Å; S33-G515 WeakPolarHBondContact CB-O 3.34Å; S33-G515 WeakPolarHBondContact OG-CA 3.39Å; S33-G515 PolarHBondContact OG-O 2.68Å
34I96.8Very high94.8Very high47 Ų4757.5 Ų57.524%0.24130%0.302CS..EExtended strand (participates in β ladder)trans-119.2144.3176.153.2170.4000109.5Q31 S36 R43 R44 P46Q31-I34 HydrophobicContact CG-CG2 4.13Å; I34-S36 PolarHBondContact O-N 3.48Å; I34-R43 CarbonylContact O-C 3.56Å; I34-R43 WeakPolarHBondContact O-CA 3.44Å; I34-R44 HydrophobicContact CD1-CG 4.09Å; I34-R44 HydrophobicContact CG1-CG 3.74Å; I34-R44 PolarHBondContact N-O 3.41Å; I34-R44 PolarHBondContact O-N 3.18Å; I34-P46 HydrophobicContact CG2-CB 4.14Å
35I97Very high95.2Very high98 Ų9858.1 Ų58.150%0.50331%0.306SS..EExtended strand (participates in β ladder)trans-67118.8173.9-62.4172.9000107.9D37 P38 A42 R43I35-D37 WeakPolarHBondContact CG2-O 3.32Å; I35-P38 HydrophobicContact CG2-CG 4.43Å; I35-A42 CarbonylContact C-O 3.6Å; I35-A42 VanDerWaalsContact CA-O 3.32Å; I35-A42 WeakPolarHBondContact CA-O 3.08Å; I35-R43 HydrophobicContact CG1-CG 4.4Å
36S95.6Very high95.4Very high36 Ų3658.5 Ų58.525%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-89-31.417452.30000112.1I34 A42 E454I34-S36 PolarHBondContact O-N 3.48Å; S36-A42 PolarHBondContact N-O 3.5Å; S36-A42 PolarHBondContact OG-O 3.21Å; S36-E454 WeakPolarHBondContact CB-OE1 3.49Å; S36-E454 PolarHBondContact OG-OE1 3.17Å
37D95.9Very high95.4Very high56 Ų5659.2 Ų59.230%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-133.5108.6176.3175.810.1000110.5I35 K39 T40 G41 A42I35-D37 WeakPolarHBondContact CG2-O 3.32Å; D37-K39 PolarHBondContact O-N 3.14Å; D37-K39 VanDerWaalsContact OD1-CB 3.32Å; D37-K39 WeakPolarHBondContact OD1-CB 3.49Å; D37-K39 PolarHBondContact OD1-N 3.41Å; D37-T40 WeakPolarHBondContact CB-OG1 3.46Å; D37-T40 WeakPolarHBondContact OD2-CB 3.43Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.49Å; D37-T40 PolarHBondContact OD2-OG1 2.89Å; D37-G41 VanDerWaalsContact O-CA 3.31Å; D37-G41 WeakPolarHBondContact O-CA 3.5Å; D37-G41 PolarHBondContact O-N 3.34Å; D37-A42 HydrophobicContact CB-CB 4.14Å; D37-A42 PolarHBondContact N-O 2.94Å; D37-A42 PolarHBondContact O-N 3.46Å
38P94Very high95.1Very high117 Ų11758.9 Ų58.976%0.7631%0.311SS*.THydrogen-bonded Turntrans-62.2-25.1177.6-23.734.3000114.6I35I35-P38 HydrophobicContact CG2-CG 4.43Å
39K93.5Very high94.6Very high194 Ų19459.6 Ų59.684%0.84331%0.313SS*.THydrogen-bonded Turntrans-74.3-45.5-177-175.6-175.8176.1-172.70111.4D37D37-K39 PolarHBondContact O-N 3.14Å; D37-K39 VanDerWaalsContact OD1-CB 3.32Å; D37-K39 WeakPolarHBondContact OD1-CB 3.49Å; D37-K39 PolarHBondContact OD1-N 3.41Å
40T92.8Very high94.2Very high62 Ų6264.5 Ų64.538%0.3833%0.334SS..THydrogen-bonded Turntrans-91.7-13.6179.658.10000112.8D37 A42D37-T40 WeakPolarHBondContact CB-OG1 3.46Å; D37-T40 WeakPolarHBondContact OD2-CB 3.43Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.49Å; D37-T40 PolarHBondContact OD2-OG1 2.89Å; T40-A42 PolarHBondContact O-N 3.17Å; T40-A42 WeakPolarHBondContact OG1-CB 3.16Å; T40-A42 PolarHBondContact OG1-N 3.15Å
41G95.4Very high93.8Very high30 Ų3061.3 Ų61.331%0.30932%0.316SS..THydrogen-bonded Turntrans70.414.5-170.800000113.1D37 R43D37-G41 VanDerWaalsContact O-CA 3.31Å; D37-G41 WeakPolarHBondContact O-CA 3.5Å; D37-G41 PolarHBondContact O-N 3.34Å; G41-R43 WeakPolarHBondContact O-CG 3.32Å
42A97.5Very high93.3Very high1 Ų161.9 Ų61.91%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-59.1142.8177.400000110.9I35 S36 D37 T40 L455 K456 W502I35-A42 CarbonylContact C-O 3.6Å; I35-A42 VanDerWaalsContact CA-O 3.32Å; I35-A42 WeakPolarHBondContact CA-O 3.08Å; S36-A42 PolarHBondContact N-O 3.5Å; S36-A42 PolarHBondContact OG-O 3.21Å; D37-A42 HydrophobicContact CB-CB 4.14Å; D37-A42 PolarHBondContact N-O 2.94Å; D37-A42 PolarHBondContact O-N 3.46Å; T40-A42 PolarHBondContact O-N 3.17Å; T40-A42 WeakPolarHBondContact OG1-CB 3.16Å; T40-A42 PolarHBondContact OG1-N 3.15Å; A42-L455 CarbonylContact C-O 3.51Å; A42-L455 WeakPolarHBondContact CA-O 3.19Å; A42-K456 HydrophobicContact CB-CB 4.18Å; A42-W502 HydrophobicContact CB-CH2 3.99Å; A42-W502 HydrophobicContact CB-CZ2 4.38Å
43R98.1Very high92.8Very high42 Ų4263.9 Ų63.916%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-126.6147.3-176.4-51.5-177.281.1128.8-3.9110.5S33 I34 I35 G41 V449 E454 L455 W511S33-R43 PolarHBondContact O-NH2 3.39Å; S33-R43 PolarHBondContact OG-NE 3.39Å; S33-R43 PolarHBondContact OG-NH2 3.15Å; I34-R43 CarbonylContact O-C 3.56Å; I34-R43 WeakPolarHBondContact O-CA 3.44Å; I35-R43 HydrophobicContact CG1-CG 4.4Å; G41-R43 WeakPolarHBondContact O-CG 3.32Å; R43-V449 HydrophobicContact CB-CG2 4.32Å; R43-E454 CarbonylContact O-C 3.5Å; R43-E454 WeakPolarHBondContact O-CA 3Å; R43-L455 PolarHBondContact N-O 2.73Å; R43-L455 PolarHBondContact O-N 2.67Å; R43-W511 HydrophobicContact CB-CH2 4.36Å; R43-W511 HydrophobicContact CB-CZ2 4.21Å; R43-W511 VanDerWaalsContact CD-CD2 3.49Å; R43-W511 HydrophobicContact CG-CZ2 4.07Å
44R96.9Very high92.2Very high132 Ų13266 Ų6650%0.49835%0.348SS..EExtended strand (participates in β ladder)trans-130.2169.717568179.2178-178.40.5111.4S33 I34S33-R44 WeakPolarHBondContact CA-O 3.31Å; I34-R44 HydrophobicContact CD1-CG 4.09Å; I34-R44 HydrophobicContact CG1-CG 3.74Å; I34-R44 PolarHBondContact N-O 3.41Å; I34-R44 PolarHBondContact O-N 3.18Å
45S96.4Very high91.7Very high13 Ų1368.3 Ų68.39%0.09137%0.369CS..  trans-61.4141.2173.4-158.20000112I47 V449 L450S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact OG-N 3Å; S45-V449 WeakPolarHBondContact CA-O 3.47Å; S45-V449 WeakPolarHBondContact CB-O 3.35Å; S45-V449 PolarHBondContact OG-O 3.35Å; S45-L450 WeakPolarHBondContact CB-O 3.36Å
46P95.5Very high91.5Very high19 Ų1970.1 Ų70.112%0.12337%0.369CS..  trans-84.2-7.6168.231.2-25.2000112.3H28 Q31 Q32 I34 V48H28-P46 HydrophobicContact CB-CG 4.08Å; H28-P46 PolarHBondContact CE1-O 3.26Å; Q31-P46 WeakPolarHBondContact O-CG 3.43Å; Q32-P46 WeakPolarHBondContact O-CD 3.47Å; I34-P46 HydrophobicContact CG2-CB 4.14Å; P46-V48 PolarHBondContact O-N 3.48Å
47I92.5Very high91.5Very high21 Ų2168.5 Ų68.511%0.10836%0.357CS..PPolyproline II helixtrans-74.9125.5-179.2-61.6175.3000108.9S45 E269S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact OG-N 3Å; I47-E269 HydrophobicContact CG2-CB 4.29Å
48V86.3Confident91.6Very high119 Ų11970.4 Ų70.472%0.72137%0.365SS*.PPolyproline II helixtrans-84.5126.5170.6-177.90000108.4P46 K50P46-V48 PolarHBondContact O-N 3.48Å; V48-K50 PolarHBondContact O-N 3.48Å
49K84.2Confident91.8Very high62 Ų6265 Ų6527%0.2733%0.33SS..PPolyproline II helixtrans-53.6131.2178.8-179.1173.766.8-157.50111.6F51 E54 E269 Y451K49-F51 HydrophobicContact CG-CB 4.33Å; K49-E54 IonicContact NZ-OE1 3.67Å; K49-E54 PolarHBondContact NZ-OE1 2.84Å; K49-E54 IonicContact NZ-OE2 2.69Å; K49-E54 PolarHBondContact NZ-OE2 3.01Å; K49-E269 WeakPolarHBondContact CG-OE1 3.42Å; K49-Y451 HydrophobicContact CB-CD2 4.23Å; K49-Y451 HydrophobicContact CB-CE1 4.09Å; K49-Y451 HydrophobicContact CB-CE2 3.7Å; K49-Y451 HydrophobicContact CD-CE1 3.69Å; K49-Y451 WeakPolarHBondContact CE-OH 3.39Å; K49-Y451 HydrophobicContact CG-CE1 4.26Å; K49-Y451 PolarHBondContact NZ-OH 2.81Å
50K85.1Confident92Very high107 Ų10755.8 Ų55.847%0.46529%0.29SS..  trans-108.5-19.2174.5-68177.4-177.4165.80113V48 T52 E269V48-K50 PolarHBondContact O-N 3.48Å; K50-T52 PolarHBondContact O-N 3Å; K50-E269 VanDerWaalsContact N-CD 3.28Å; K50-E269 PolarHBondContact N-OE1 3.28Å; K50-E269 PolarHBondContact N-OE2 2.63Å
51F86.3Confident92.3Very high15 Ų1553.9 Ų53.97%0.06628%0.276CS..  trans-66.7100.6178-165.6-109.2000110K49 D53 E54 V57 Y66 I265 E269 F273K49-F51 HydrophobicContact CG-CB 4.33Å; F51-D53 VanDerWaalsContact CE1-C 3.46Å; F51-D53 HydrophobicContact CE1-CB 4.13Å; F51-D53 HydrophobicContact CE2-CB 4.46Å; F51-D53 HydrophobicContact CZ-CB 3.94Å; F51-E54 HydrophobicContact CD1-CB 3.99Å; F51-E54 HydrophobicContact CE1-CB 4.41Å; F51-V57 HydrophobicContact CE1-CB 4.21Å; F51-V57 HydrophobicContact CE1-CG2 4.07Å; F51-V57 HydrophobicContact CZ-CG2 3.94Å; F51-Y66 HydrophobicContact CE2-CE1 4.28Å; F51-Y66 HydrophobicContact CZ-CE1 4.36Å; F51-Y66 HydrophobicContact CZ-CE2 4.26Å; F51-I265 HydrophobicContact CB-CG2 3.88Å; F51-I265 HydrophobicContact CD1-CD1 3.71Å; F51-I265 HydrophobicContact CD1-CG1 3.9Å; F51-I265 HydrophobicContact CD1-CG2 4.06Å; F51-I265 HydrophobicContact CE1-CD1 3.77Å; F51-I265 HydrophobicContact CE1-CG1 4.06Å; F51-I265 HydrophobicContact CG-CG1 4.46Å; F51-I265 HydrophobicContact CG-CG2 4.12Å; F51-E269 WeakPolarHBondContact CB-OE1 3.49Å; F51-E269 PolarHBondContact N-OE1 3.02Å; F51-F273 HydrophobicContact CB-CZ 3.94Å; F51-F273 AromaticContact CD2-CE1 3.99Å; F51-F273 HydrophobicContact CD2-CE1 3.99Å; F51-F273 AromaticContact CD2-CZ 3.79Å; F51-F273 HydrophobicContact CD2-CZ 3.79Å; F51-F273 HydrophobicContact CG-CZ 4.25Å
52T85.5Confident92.4Very high124 Ų12453.8 Ų53.876%0.76127%0.268SS*.THydrogen-bonded Turntrans-82.1-20.6-175.851.20000113.3K50 E54K50-T52 PolarHBondContact O-N 3Å; T52-E54 VanDerWaalsContact C-N 3.32Å; T52-E54 PolarHBondContact O-N 2.76Å
53D85.8Confident92.4Very high45 Ų4553.7 Ų53.724%0.24127%0.268CS..THydrogen-bonded Turntrans-9118.6-177.1-70.6-41.3000113.2F51 S55 R56 V57 Y66F51-D53 VanDerWaalsContact CE1-C 3.46Å; F51-D53 HydrophobicContact CE1-CB 4.13Å; F51-D53 HydrophobicContact CE2-CB 4.46Å; F51-D53 HydrophobicContact CZ-CB 3.94Å; D53-S55 PolarHBondContact O-N 3.19Å; D53-R56 HydrophobicContact CB-CB 4.46Å; D53-R56 WeakPolarHBondContact O-CA 3.48Å; D53-R56 WeakPolarHBondContact O-CB 3.38Å; D53-R56 PolarHBondContact O-N 3.18Å; D53-R56 IonicContact OD1-NH1 3.61Å; D53-V57 PolarHBondContact O-N 3.37Å; D53-Y66 HydrophobicContact CB-CE2 3.64Å; D53-Y66 WeakPolarHBondContact OD2-CE2 3.26Å; D53-Y66 PolarHBondContact OD2-OH 3.46Å
54E84.3Confident92.5Very high47 Ų4751.9 Ų51.922%0.2226%0.261CS..G310 helixtrans-55.7-35.8-178.6-174.2-175.6-122.100112.7K49 F51 T52 R56 V57 I265K49-E54 IonicContact NZ-OE1 3.67Å; K49-E54 PolarHBondContact NZ-OE1 2.84Å; K49-E54 IonicContact NZ-OE2 2.69Å; K49-E54 PolarHBondContact NZ-OE2 3.01Å; F51-E54 HydrophobicContact CD1-CB 3.99Å; F51-E54 HydrophobicContact CE1-CB 4.41Å; T52-E54 VanDerWaalsContact C-N 3.32Å; T52-E54 PolarHBondContact O-N 2.76Å; E54-R56 PolarHBondContact O-N 3.03Å; E54-R56 VanDerWaalsContact O-N 3.17Å; E54-V57 CarbonylContact O-C 3.56Å; E54-V57 PolarHBondContact O-N 3.33Å; E54-I265 HydrophobicContact CG-CD1 4.15Å
55S87.4Confident92.5Very high95 Ų9548.6 Ų48.666%0.66425%0.251SS*.G310 helixtrans-62.8-20.2174.857.20000113.7D53D53-S55 PolarHBondContact O-N 3.19Å
56R92.2Very high92.6Very high136 Ų13649.6 Ų49.651%0.51325%0.253SS..G310 helixtrans-93.3-7.1175.4-61.1176.560.1-162.6-3.6113D53 E54 D62D53-R56 HydrophobicContact CB-CB 4.46Å; D53-R56 WeakPolarHBondContact O-CA 3.48Å; D53-R56 WeakPolarHBondContact O-CB 3.38Å; D53-R56 PolarHBondContact O-N 3.18Å; D53-R56 IonicContact OD1-NH1 3.61Å; E54-R56 PolarHBondContact O-N 3.03Å; E54-R56 VanDerWaalsContact O-N 3.17Å; R56-D62 WeakPolarHBondContact O-CB 3.26Å
57V96.5Very high92.7Very high1 Ų148.7 Ų48.71%0.00625%0.247CC..  trans-132.177.5-175.6-172.60000109.3F51 D53 E54 I63 Y66 T261 L302F51-V57 HydrophobicContact CE1-CB 4.21Å; F51-V57 HydrophobicContact CE1-CG2 4.07Å; F51-V57 HydrophobicContact CZ-CG2 3.94Å; D53-V57 PolarHBondContact O-N 3.37Å; E54-V57 CarbonylContact O-C 3.56Å; E54-V57 PolarHBondContact O-N 3.33Å; V57-I63 HydrophobicContact CG1-CG1 3.71Å; V57-Y66 HydrophobicContact CG2-CD2 3.67Å; V57-Y66 HydrophobicContact CG2-CE2 4.4Å; V57-Y66 HydrophobicContact CG2-CG 3.83Å; V57-T261 HydrophobicContact CG1-CG2 4.19Å; V57-L302 HydrophobicContact CG1-CD1 3.85Å; V57-L302 HydrophobicContact CG2-CD1 4.15Å
58Q96.7Very high93Very high97 Ų9748.8 Ų48.845%0.45325%0.248SC..SBendtrans-110.3-18.4-178.4-52.5-168.7-64.800112.5D62 P234 T261Q58-D62 PolarHBondContact N-OD2 3.01Å; Q58-P234 HydrophobicContact CB-CB 4.24Å; Q58-P234 HydrophobicContact CB-CG 3.61Å; Q58-T261 VanDerWaalsContact C-CG2 3.42Å; Q58-T261 WeakPolarHBondContact O-CG2 3.29Å; Q58-T261 PolarHBondContact O-OG1 3.06Å
59T98.4Very high93.5Very high4 Ų446.4 Ų46.43%0.02524%0.236CC..SBendtrans-127.2168.3177.771.20000113.5K61 D62 I63 P232 P234 H257 T261T59-K61 VanDerWaalsContact C-N 3.26Å; T59-K61 PolarHBondContact O-N 3.01Å; T59-D62 WeakPolarHBondContact CB-OD2 3.07Å; T59-D62 PolarHBondContact N-OD2 3.34Å; T59-D62 WeakPolarHBondContact O-CB 3.37Å; T59-D62 PolarHBondContact O-N 3.44Å; T59-D62 PolarHBondContact OG1-N 3.29Å; T59-D62 PolarHBondContact OG1-OD1 2.71Å; T59-D62 PolarHBondContact OG1-OD2 3.11Å; T59-I63 PolarHBondContact O-N 3.48Å; T59-P232 HydrophobicContact CG2-CG 4.1Å; T59-P232 WeakPolarHBondContact CG2-O 3.49Å; T59-P234 HydrophobicContact CG2-CG 4.45Å; T59-H257 HydrophobicContact CG2-CB 4.17Å; T59-T261 VanDerWaalsContact C-CG2 3.46Å; T59-T261 WeakPolarHBondContact O-CG2 3.45Å
60V98.4Very high93.9Very high0 Ų047.6 Ų47.60%025%0.246CC..Hα-helixtrans-68.2-28.7175.6175.70000111.5D62 I63 F64 A138 Y238 H257 V260 L298V60-D62 VanDerWaalsContact C-N 3.3Å; V60-I63 PolarHBondContact O-N 3.34Å; V60-F64 PolarHBondContact O-N 2.76Å; V60-A138 HydrophobicContact CB-CB 3.98Å; V60-A138 HydrophobicContact CG1-CB 3.95Å; V60-Y238 HydrophobicContact CB-CD2 4.01Å; V60-Y238 HydrophobicContact CB-CE2 3.96Å; V60-Y238 HydrophobicContact CG1-CD2 4.28Å; V60-Y238 HydrophobicContact CG1-CE2 3.72Å; V60-Y238 HydrophobicContact CG2-CD1 4.06Å; V60-Y238 HydrophobicContact CG2-CD2 3.76Å; V60-Y238 HydrophobicContact CG2-CE1 4.15Å; V60-Y238 HydrophobicContact CG2-CE2 3.88Å; V60-Y238 HydrophobicContact CG2-CG 3.84Å; V60-H257 PolarHBondContact N-ND1 3.18Å; V60-V260 HydrophobicContact CG2-CB 3.85Å; V60-V260 HydrophobicContact CG2-CG1 3.71Å; V60-V260 HydrophobicContact CG2-CG2 4.14Å; V60-L298 HydrophobicContact CG1-CD1 4.44Å; V60-L298 HydrophobicContact CG1-CD2 3.91Å
61K98.2Very high94.5Very high22 Ų2242.7 Ų42.710%0.09623%0.225CC..Hα-helixtrans-57.4-47.9166.3170.5-168.5154.5-74.40110T59 I63 F64 E65 A139 K229 S231T59-K61 VanDerWaalsContact C-N 3.26Å; T59-K61 PolarHBondContact O-N 3.01Å; K61-I63 PolarHBondContact O-N 2.69Å; K61-F64 PolarHBondContact O-N 3.36Å; K61-E65 VanDerWaalsContact CE-OE1 3.25Å; K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 WeakPolarHBondContact CE-OE2 3.21Å; K61-E65 IonicContact NZ-OE1 3.73Å; K61-E65 IonicContact NZ-OE2 3.53Å; K61-E65 PolarHBondContact NZ-OE2 3.06Å; K61-E65 PolarHBondContact O-N 3.47Å; K61-A139 HydrophobicContact CB-CB 4.44Å; K61-A139 HydrophobicContact CD-CB 4.47Å; K61-A139 HydrophobicContact CG-CB 4.18Å; K61-K229 HydrophobicContact CD-CD 4.36Å; K61-S231 WeakPolarHBondContact CE-OG 3.28Å
62D98.3Very high95.1Very high27 Ų2749.2 Ų49.214%0.14425%0.249CC..Hα-helixtrans-69.9-32.8-176.7-52.5-33.9000112.7R56 Q58 T59 V60 F64 E65 Y66R56-D62 WeakPolarHBondContact O-CB 3.26Å; Q58-D62 PolarHBondContact N-OD2 3.01Å; T59-D62 WeakPolarHBondContact CB-OD2 3.07Å; T59-D62 PolarHBondContact N-OD2 3.34Å; T59-D62 WeakPolarHBondContact O-CB 3.37Å; T59-D62 PolarHBondContact O-N 3.44Å; T59-D62 PolarHBondContact OG1-N 3.29Å; T59-D62 PolarHBondContact OG1-OD1 2.71Å; T59-D62 PolarHBondContact OG1-OD2 3.11Å; V60-D62 VanDerWaalsContact C-N 3.3Å; D62-F64 VanDerWaalsContact C-N 3.27Å; D62-F64 PolarHBondContact O-N 3.4Å; D62-E65 PolarHBondContact O-N 3.47Å; D62-Y66 VanDerWaalsContact O-CB 3.23Å; D62-Y66 WeakPolarHBondContact O-CB 3.15Å; D62-Y66 PolarHBondContact O-N 3.06Å
63I98.3Very high95.7Very high0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-52.3-49.7169.2-76.3176.9000110.2V57 T59 V60 K61 G67 V260 T261 A264 L298 I301 L302V57-I63 HydrophobicContact CG1-CG1 3.71Å; T59-I63 PolarHBondContact O-N 3.48Å; V60-I63 PolarHBondContact O-N 3.34Å; K61-I63 PolarHBondContact O-N 2.69Å; I63-G67 PolarHBondContact O-N 3Å; I63-G67 VanDerWaalsContact O-N 3.12Å; I63-V260 HydrophobicContact CD1-CG1 4.15Å; I63-T261 HydrophobicContact CD1-CG2 3.91Å; I63-T261 HydrophobicContact CG1-CG2 3.96Å; I63-A264 HydrophobicContact CD1-CB 4.43Å; I63-L298 HydrophobicContact CD1-CB 4.41Å; I63-L298 HydrophobicContact CG2-CD2 4.4Å; I63-L298 WeakPolarHBondContact CG2-O 3.32Å; I63-I301 HydrophobicContact CG2-CB 4.3Å; I63-I301 HydrophobicContact CG2-CG2 3.93Å; I63-L302 HydrophobicContact CG1-CD1 4.43Å; I63-L302 HydrophobicContact CG2-CB 4.03Å
64F98.6Very high96.3Very high4 Ų449.2 Ų49.22%0.01825%0.252CS..Hα-helixtrans-68.3-43.9-179.3-178.4-92.9000111.9V60 K61 D62 Y66 G67 L68 Y92 V95 D96 I99 I301V60-F64 PolarHBondContact O-N 2.76Å; K61-F64 PolarHBondContact O-N 3.36Å; D62-F64 VanDerWaalsContact C-N 3.27Å; D62-F64 PolarHBondContact O-N 3.4Å; F64-Y66 VanDerWaalsContact C-N 3.33Å; F64-Y66 PolarHBondContact O-N 2.89Å; F64-G67 PolarHBondContact O-N 3.11Å; F64-L68 HydrophobicContact CE1-CB 4.42Å; F64-L68 HydrophobicContact CE1-CD2 4.3Å; F64-L68 VanDerWaalsContact O-CB 3.26Å; F64-L68 WeakPolarHBondContact O-CB 3.46Å; F64-L68 PolarHBondContact O-N 3.23Å; F64-Y92 HydrophobicContact CE2-CD1 4.06Å; F64-Y92 HydrophobicContact CE2-CE1 4.32Å; F64-Y92 HydrophobicContact CZ-CD1 4.29Å; F64-V95 HydrophobicContact CE2-CB 4.24Å; F64-V95 HydrophobicContact CE2-CG1 3.57Å; F64-V95 HydrophobicContact CZ-CB 4Å; F64-V95 HydrophobicContact CZ-CG1 3.64Å; F64-D96 HydrophobicContact CE1-CB 3.72Å; F64-D96 HydrophobicContact CZ-CB 4.12Å; F64-I99 HydrophobicContact CD1-CD1 3.85Å; F64-I99 HydrophobicContact CD2-CD1 4.07Å; F64-I99 HydrophobicContact CE1-CD1 3.52Å; F64-I99 HydrophobicContact CE2-CD1 3.77Å; F64-I99 HydrophobicContact CG-CD1 4.12Å; F64-I99 HydrophobicContact CZ-CD1 3.49Å; F64-I99 VanDerWaalsContact CZ-CD1 3.49Å; F64-I301 HydrophobicContact CB-CG2 4.19Å; F64-I301 HydrophobicContact CD2-CG2 3.87Å; F64-I301 HydrophobicContact CG-CG2 4.48Å
65E97.9Very high96.9Very high62 Ų6253.9 Ų53.929%0.2927%0.268SS..Hα-helixtrans-65.9-34.9179.5-71.5-178.5170.600112.6K61 D62 S69 K229K61-E65 VanDerWaalsContact CE-OE1 3.25Å; K61-E65 WeakPolarHBondContact CE-OE1 3.33Å; K61-E65 WeakPolarHBondContact CE-OE2 3.21Å; K61-E65 IonicContact NZ-OE1 3.73Å; K61-E65 IonicContact NZ-OE2 3.53Å; K61-E65 PolarHBondContact NZ-OE2 3.06Å; K61-E65 PolarHBondContact O-N 3.47Å; D62-E65 PolarHBondContact O-N 3.47Å; E65-S69 WeakPolarHBondContact O-CB 3.44Å; E65-S69 PolarHBondContact O-N 2.92Å; E65-K229 WeakPolarHBondContact OE1-CD 3.12Å; E65-K229 IonicContact OE1-NZ 3.61Å; E65-K229 PolarHBondContact OE1-NZ 2.82Å
66Y97.8Very high97.5Very high34 Ų3449.4 Ų49.413%0.13324%0.237CC..Hα-helixtrans-64.3-49172.6-169.1-88.2000110.9F51 D53 V57 D62 F64 L68 S69 N70 L302F51-Y66 HydrophobicContact CE2-CE1 4.28Å; F51-Y66 HydrophobicContact CZ-CE1 4.36Å; F51-Y66 HydrophobicContact CZ-CE2 4.26Å; D53-Y66 HydrophobicContact CB-CE2 3.64Å; D53-Y66 WeakPolarHBondContact OD2-CE2 3.26Å; D53-Y66 PolarHBondContact OD2-OH 3.46Å; V57-Y66 HydrophobicContact CG2-CD2 3.67Å; V57-Y66 HydrophobicContact CG2-CE2 4.4Å; V57-Y66 HydrophobicContact CG2-CG 3.83Å; D62-Y66 VanDerWaalsContact O-CB 3.23Å; D62-Y66 WeakPolarHBondContact O-CB 3.15Å; D62-Y66 PolarHBondContact O-N 3.06Å; F64-Y66 VanDerWaalsContact C-N 3.33Å; F64-Y66 PolarHBondContact O-N 2.89Å; Y66-L68 PolarHBondContact O-N 3.4Å; Y66-S69 PolarHBondContact O-N 2.99Å; Y66-S69 PolarHBondContact O-OG 3.34Å; Y66-N70 WeakPolarHBondContact CD1-ND2 3.18Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.23Å; Y66-N70 PolarHBondContact O-N 2.86Å; Y66-N70 PolarHBondContact O-ND2 2.69Å; Y66-N70 VanDerWaalsContact O-ND2 3.14Å; Y66-L302 HydrophobicContact CD1-CD1 3.81Å; Y66-L302 VanDerWaalsContact CD1-O 3.29Å; Y66-L302 WeakPolarHBondContact CD1-O 3.1Å; Y66-L302 HydrophobicContact CG-CD1 4.19Å
67G97.9Very high97.8Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-57.3-47173.900000112.9I63 F64 S69 N70 S71 I301I63-G67 PolarHBondContact O-N 3Å; I63-G67 VanDerWaalsContact O-N 3.12Å; F64-G67 PolarHBondContact O-N 3.11Å; G67-S69 PolarHBondContact O-N 3.42Å; G67-N70 PolarHBondContact O-N 2.98Å; G67-S71 WeakPolarHBondContact O-CB 3.42Å; G67-S71 PolarHBondContact O-N 2.94Å; G67-I301 VanDerWaalsContact CA-O 3.24Å; G67-I301 WeakPolarHBondContact CA-O 3.38Å
68L98.2Very high97.9Very high24 Ų2442.9 Ų42.913%0.12621%0.212CC..Hα-helixtrans-57-45.6175.6172.566.5000111.7F64 Y66 N70 S71 R72 Y92 D96F64-L68 HydrophobicContact CE1-CB 4.42Å; F64-L68 HydrophobicContact CE1-CD2 4.3Å; F64-L68 VanDerWaalsContact O-CB 3.26Å; F64-L68 WeakPolarHBondContact O-CB 3.46Å; F64-L68 PolarHBondContact O-N 3.23Å; Y66-L68 PolarHBondContact O-N 3.4Å; L68-N70 PolarHBondContact O-N 3.41Å; L68-S71 PolarHBondContact O-N 3.44Å; L68-R72 HydrophobicContact CD1-CB 4.45Å; L68-R72 HydrophobicContact CD1-CG 4.11Å; L68-R72 WeakPolarHBondContact O-CA 3.37Å; L68-R72 PolarHBondContact O-N 2.65Å; L68-Y92 HydrophobicContact CB-CD1 4.22Å; L68-D96 HydrophobicContact CD1-CB 4.33Å; L68-D96 HydrophobicContact CD2-CB 3.91Å
69S97.2Very high97.9Very high68 Ų6842.9 Ų42.948%0.47621%0.211SC..Hα-helixtrans-61.5-31.3-179.276.10000112.7E65 Y66 G67E65-S69 WeakPolarHBondContact O-CB 3.44Å; E65-S69 PolarHBondContact O-N 2.92Å; Y66-S69 PolarHBondContact O-N 2.99Å; Y66-S69 PolarHBondContact O-OG 3.34Å; G67-S69 PolarHBondContact O-N 3.42Å
70N93.9Very high97.7Very high88 Ų8843.4 Ų43.447%0.47121%0.212SC..Hα-helixtrans-91.3-14.6-179.8-68.3-42.6000113.6Y66 G67 L68Y66-N70 WeakPolarHBondContact CD1-ND2 3.18Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.23Å; Y66-N70 PolarHBondContact O-N 2.86Å; Y66-N70 PolarHBondContact O-ND2 2.69Å; Y66-N70 VanDerWaalsContact O-ND2 3.14Å; G67-N70 PolarHBondContact O-N 2.98Å; L68-N70 PolarHBondContact O-N 3.41Å
71S97.6Very high97.4Very high3 Ų348.4 Ų48.42%0.02125%0.245CC..Hα-helixtrans-148.930.4-165.2-77.20000114G67 L68 S73 N74 Y92 S278 G304G67-S71 WeakPolarHBondContact O-CB 3.42Å; G67-S71 PolarHBondContact O-N 2.94Å; L68-S71 PolarHBondContact O-N 3.44Å; S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.34Å; S71-S73 VanDerWaalsContact O-N 3.14Å; S71-N74 WeakPolarHBondContact O-CB 3.39Å; S71-N74 PolarHBondContact O-N 2.9Å; S71-N74 PolarHBondContact OG-ND2 3.46Å; S71-N74 VanDerWaalsContact OG-ND2 3.09Å; S71-Y92 WeakPolarHBondContact O-CB 3.45Å; S71-Y92 WeakPolarHBondContact O-CD2 3.31Å; S71-S278 WeakPolarHBondContact OG-CB 3.35Å; S71-G304 WeakPolarHBondContact CB-O 3.46Å; S71-G304 PolarHBondContact OG-O 3.29Å
72R97.4Very high97.2Very high152 Ų15249.1 Ų49.157%0.57425%0.252SS*.THydrogen-bonded Turntrans-46.1-49.2-173-169.1172.8-161.4-1687.1115.2L68 N93L68-R72 HydrophobicContact CD1-CB 4.45Å; L68-R72 HydrophobicContact CD1-CG 4.11Å; L68-R72 WeakPolarHBondContact O-CA 3.37Å; L68-R72 PolarHBondContact O-N 2.65Å; R72-N93 HydrophobicContact CG-CB 3.91Å; R72-N93 PolarHBondContact NE-OD1 3.14Å; R72-N93 PolarHBondContact NH2-OD1 3.28Å; R72-N93 VanDerWaalsContact NH2-OD1 3.13Å; R72-N93 WeakPolarHBondContact O-CB 3.38Å; R72-N93 PolarHBondContact O-N 3.45Å
73S98Very high97Very high103 Ų10348.9 Ų48.972%0.7225%0.25SS*.THydrogen-bonded Turntrans-951-179-54.50000113.5S71S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.34Å; S71-S73 VanDerWaalsContact O-N 3.14Å
74N98.2Very high96.7Very high66 Ų6656.4 Ų56.435%0.35329%0.29SS..SBendtrans-83.1160.9178.1-64-16.3000110.7S71 C76 T91 Y92S71-N74 WeakPolarHBondContact O-CB 3.39Å; S71-N74 PolarHBondContact O-N 2.9Å; S71-N74 PolarHBondContact OG-ND2 3.46Å; S71-N74 VanDerWaalsContact OG-ND2 3.09Å; N74-C76 PolarHBondContact O-N 2.78Å; N74-T91 CarbonylContact O-C 3.54Å; N74-T91 WeakPolarHBondContact O-CA 3.49Å; N74-T91 WeakPolarHBondContact O-CB 3.39Å; N74-Y92 PolarHBondContact O-N 2.69Å
75R98.5Very high96.6Very high145 Ų14559.2 Ų59.255%0.54731%0.306SS..EExtended strand (participates in β ladder)trans-60.2130.6174.2-66.3173179.9179.50.2110.6W89 S306R75-W89 HydrophobicContact CB-CB 4.35Å; R75-W89 HydrophobicContact CB-CD2 3.93Å; R75-W89 HydrophobicContact CB-CE3 3.71Å; R75-W89 HydrophobicContact CB-CG 4.22Å; R75-W89 HydrophobicContact CB-CZ3 4.35Å; R75-W89 HydrophobicContact CG-CB 3.88Å; R75-W89 HydrophobicContact CG-CD2 3.9Å; R75-W89 HydrophobicContact CG-CE3 4.22Å; R75-W89 HydrophobicContact CG-CG 3.74Å; R75-S306 VanDerWaalsContact CB-OG 3.3Å; R75-S306 WeakPolarHBondContact CB-OG 3.3Å; R75-S306 WeakPolarHBondContact O-CB 3.35Å; R75-S306 PolarHBondContact O-OG 3.35Å
76C98.8Very high96.4Very high1 Ų160.9 Ų60.91%0.00732%0.322CS..EExtended strand (participates in β ladder)trans-110.4-67.3176.1-172.30000110.6N74 L90 Y92 V95 S306 S307N74-C76 PolarHBondContact O-N 2.78Å; C76-L90 WeakPolarHBondContact CA-O 3.34Å; C76-L90 WeakPolarHBondContact CB-O 3.3Å; C76-L90 PolarHBondContact N-O 3.18Å; C76-Y92 HydrophobicContact CB-CD1 4.3Å; C76-Y92 HydrophobicContact CB-CD2 3.5Å; C76-Y92 HydrophobicContact CB-CE1 4.49Å; C76-Y92 HydrophobicContact CB-CE2 3.69Å; C76-Y92 HydrophobicContact CB-CG 3.8Å; C76-V95 HydrophobicContact CB-CG2 3.91Å; C76-S306 CarbonylContact O-C 3.43Å; C76-S306 WeakPolarHBondContact O-CA 3.35Å; C76-S307 PolarHBondContact O-N 3.33Å
77L98.8Very high96.4Very high1 Ų160.3 Ų60.31%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-121.7127.4-173.9-58.8179.6000110.5W89 L90 V95 P128 V131 I132 S307 F309L77-W89 WeakPolarHBondContact O-CA 3.34Å; L77-L90 PolarHBondContact N-O 3.31Å; L77-L90 PolarHBondContact O-N 2.98Å; L77-V95 HydrophobicContact CB-CG2 4.36Å; L77-V95 HydrophobicContact CD1-CG1 4.05Å; L77-V95 HydrophobicContact CD1-CG2 3.89Å; L77-V95 HydrophobicContact CG-CG2 4Å; L77-P128 HydrophobicContact CB-CB 4.12Å; L77-P128 HydrophobicContact CB-CG 4.43Å; L77-P128 HydrophobicContact CD1-CB 4.2Å; L77-V131 HydrophobicContact CD1-CB 3.94Å; L77-V131 HydrophobicContact CD1-CG1 3.91Å; L77-V131 HydrophobicContact CD2-CB 4.42Å; L77-V131 HydrophobicContact CD2-CG1 4.05Å; L77-I132 HydrophobicContact CD1-CG1 4.25Å; L77-S307 WeakPolarHBondContact CA-O 3.47Å; L77-F309 HydrophobicContact CB-CE2 4.11Å; L77-F309 HydrophobicContact CD2-CE2 3.98Å; L77-F309 HydrophobicContact CD2-CZ 4.08Å
78G98.5Very high96.4Very high0 Ų064 Ų640%035%0.345CS..EExtended strand (participates in β ladder)trans-126.6132.3-175.400000113.5Y87 S88 S307 G308 F309G78-Y87 WeakPolarHBondContact O-CE1 3.43Å; G78-S88 CarbonylContact C-O 3.04Å; G78-S88 VanDerWaalsContact CA-O 3.26Å; G78-S88 WeakPolarHBondContact CA-O 3.26Å; G78-S307 PolarHBondContact N-O 2.94Å; G78-G308 CarbonylContact O-C 3.57Å; G78-G308 VanDerWaalsContact O-CA 3.31Å; G78-G308 WeakPolarHBondContact O-CA 3.23Å; G78-F309 WeakPolarHBondContact O-CD2 3.3Å; G78-F309 PolarHBondContact O-N 3.06Å
79K97.2Very high96.4Very high96 Ų9665 Ų6542%0.41735%0.348SS..EExtended strand (participates in β ladder)trans-132.1160.4172.767.6175177.5-174.60111.9S88 P128 E129K79-S88 PolarHBondContact N-O 2.83Å; K79-S88 PolarHBondContact O-N 2.98Å; K79-P128 HydrophobicContact CB-CG 4.08Å; K79-P128 HydrophobicContact CD-CG 3.96Å; K79-P128 HydrophobicContact CG-CG 4.12Å; K79-E129 IonicContact NZ-OE1 3.47Å; K79-E129 PolarHBondContact NZ-OE1 2.76Å
80R94.6Very high96.5Very high15 Ų1563.3 Ų63.36%0.05733%0.333CS..  trans-114.2131.4177.4-62.2174.768-170.48.4109.4S82 F83 D85 Y87 T311 D320R80-S82 VanDerWaalsContact C-N 3.34Å; R80-F83 PolarHBondContact NH2-O 3.29Å; R80-D85 PolarHBondContact NE-O 3.34Å; R80-D85 PolarHBondContact NH2-O 3.14Å; R80-Y87 HydrophobicContact CG-CD1 3.83Å; R80-Y87 HydrophobicContact CG-CD2 3.67Å; R80-Y87 HydrophobicContact CG-CE1 3.96Å; R80-Y87 HydrophobicContact CG-CE2 3.81Å; R80-Y87 HydrophobicContact CG-CG 3.67Å; R80-T311 HydrophobicContact CB-CG2 4.16Å; R80-T311 WeakPolarHBondContact CB-OG1 3.31Å; R80-T311 WeakPolarHBondContact CD-OG1 3.34Å; R80-D320 IonicContact CZ-OD1 2.71Å; R80-D320 IonicContact NH1-OD1 3.97Å; R80-D320 PolarHBondContact NH1-OD1 3.5Å
81P92Very high96.7Very high105 Ų10560.8 Ų60.868%0.68232%0.321SS*.SBendtrans-65.3-37.4172.2-22.533.2000112.9D85P81-D85 HydrophobicContact CG-CB 4.43Å
82S94.2Very high96.7Very high37 Ų3760.7 Ų60.726%0.25932%0.32SS..SBendtrans-150.3169.2175.882.10000111.8R80 N84 D85R80-S82 VanDerWaalsContact C-N 3.34Å; S82-N84 PolarHBondContact O-N 3.07Å; S82-N84 VanDerWaalsContact O-N 3.12Å; S82-N84 PolarHBondContact OG-N 3.23Å; S82-D85 VanDerWaalsContact CB-OD2 3.31Å; S82-D85 WeakPolarHBondContact CB-OD2 3.38Å; S82-D85 PolarHBondContact N-OD2 3.19Å; S82-D85 PolarHBondContact O-N 2.88Å; S82-D85 PolarHBondContact OG-OD2 2.96Å
83F92.9Very high96.8Very high23 Ų2355 Ų5510%0.10130%0.301CS..THydrogen-bonded Turntrans-66-10176-73.3-76.1000114.4R80 T311 E312 R316 D319R80-F83 PolarHBondContact NH2-O 3.29Å; F83-T311 HydrophobicContact CD1-CG2 4.35Å; F83-T311 HydrophobicContact CD2-CG2 4.04Å; F83-T311 HydrophobicContact CE1-CG2 4.37Å; F83-T311 HydrophobicContact CE2-CG2 4.09Å; F83-T311 HydrophobicContact CG-CG2 4.19Å; F83-T311 HydrophobicContact CZ-CG2 4.23Å; F83-E312 HydrophobicContact CE2-CB 3.94Å; F83-E312 HydrophobicContact CE2-CG 3.79Å; F83-E312 HydrophobicContact CZ-CB 4.13Å; F83-E312 HydrophobicContact CZ-CG 4.4Å; F83-R316 HydrophobicContact CE1-CB 3.6Å; F83-R316 HydrophobicContact CE1-CG 4.48Å; F83-R316 HydrophobicContact CE2-CB 4.3Å; F83-R316 HydrophobicContact CE2-CG 4.46Å; F83-R316 VanDerWaalsContact CG-CZ 3.42Å; F83-R316 VanDerWaalsContact CG-NH1 3.26Å; F83-R316 HydrophobicContact CZ-CB 3.45Å; F83-R316 VanDerWaalsContact CZ-CB 3.45Å; F83-R316 HydrophobicContact CZ-CG 4.07Å; F83-D319 HydrophobicContact CD1-CB 4.19Å; F83-D319 HydrophobicContact CE1-CB 4.29Å
84N93.3Very high96.8Very high158 Ų15853.2 Ų53.285%0.84528%0.281SS*.THydrogen-bonded Turntrans-94.9-13.5174.8-64.4-32.9000112.5S82S82-N84 PolarHBondContact O-N 3.07Å; S82-N84 VanDerWaalsContact O-N 3.12Å; S82-N84 PolarHBondContact OG-N 3.23Å
85D95Very high96.9Very high63 Ų6350.1 Ų50.134%0.33727%0.265SS..SBendtrans-93.6151.4-177.3-63.6-58.2000111.9R80 P81 S82R80-D85 PolarHBondContact NE-O 3.34Å; R80-D85 PolarHBondContact NH2-O 3.14Å; P81-D85 HydrophobicContact CG-CB 4.43Å; S82-D85 VanDerWaalsContact CB-OD2 3.31Å; S82-D85 WeakPolarHBondContact CB-OD2 3.38Å; S82-D85 PolarHBondContact N-OD2 3.19Å; S82-D85 PolarHBondContact O-N 2.88Å; S82-D85 PolarHBondContact OG-OD2 2.96Å
86P95.3Very high96.9Very high97 Ų9743.7 Ų43.763%0.6324%0.241SC*.PPolyproline II helixtrans-69.4164.7167.631.8-35.2000111.1S88P86-S88 PolarHBondContact O-N 2.86Å
87Y97.1Very high96.9Very high21 Ų2147.3 Ų47.38%0.08226%0.258CS..PPolyproline II helixtrans-63.3123.8167.8-83.5-94.3000110.3G78 R80 W89 F309 I323 L324G78-Y87 WeakPolarHBondContact O-CE1 3.43Å; R80-Y87 HydrophobicContact CG-CD1 3.83Å; R80-Y87 HydrophobicContact CG-CD2 3.67Å; R80-Y87 HydrophobicContact CG-CE1 3.96Å; R80-Y87 HydrophobicContact CG-CE2 3.81Å; R80-Y87 HydrophobicContact CG-CG 3.67Å; Y87-W89 VanDerWaalsContact CB-NE1 3.27Å; Y87-W89 HydrophobicContact CD1-CZ2 4.18Å; Y87-W89 HydrophobicContact CG-CZ2 4.1Å; Y87-W89 VanDerWaalsContact O-CD1 3.23Å; Y87-F309 WeakPolarHBondContact CE1-O 3.45Å; Y87-F309 PolarHBondContact OH-O 3.48Å; Y87-I323 HydrophobicContact CD2-CG2 4.04Å; Y87-I323 HydrophobicContact CE2-CG2 4.14Å; Y87-L324 HydrophobicContact CD1-CD1 4.25Å; Y87-L324 HydrophobicContact CD2-CB 4.42Å; Y87-L324 HydrophobicContact CD2-CD1 4.08Å; Y87-L324 HydrophobicContact CE1-CD1 4Å; Y87-L324 HydrophobicContact CE2-CB 3.57Å; Y87-L324 HydrophobicContact CE2-CD1 3.8Å; Y87-L324 HydrophobicContact CE2-CG 4.18Å; Y87-L324 HydrophobicContact CG-CD1 4.3Å
88S97.7Very high96.9Very high78 Ų7850.3 Ų50.355%0.54527%0.269SS..EExtended strand (participates in β ladder)trans-86.5131.9162.8-175.40000108.7G78 K79 P86G78-S88 CarbonylContact C-O 3.04Å; G78-S88 VanDerWaalsContact CA-O 3.26Å; G78-S88 WeakPolarHBondContact CA-O 3.26Å; K79-S88 PolarHBondContact N-O 2.83Å; K79-S88 PolarHBondContact O-N 2.98Å; P86-S88 PolarHBondContact O-N 2.86Å
89W98.4Very high96.9Very high46 Ų4650.4 Ų50.417%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-118.7135.3-170.6-68.291.9000111.3R75 L77 Y87 S307 L324R75-W89 HydrophobicContact CB-CB 4.35Å; R75-W89 HydrophobicContact CB-CD2 3.93Å; R75-W89 HydrophobicContact CB-CE3 3.71Å; R75-W89 HydrophobicContact CB-CG 4.22Å; R75-W89 HydrophobicContact CB-CZ3 4.35Å; R75-W89 HydrophobicContact CG-CB 3.88Å; R75-W89 HydrophobicContact CG-CD2 3.9Å; R75-W89 HydrophobicContact CG-CE3 4.22Å; R75-W89 HydrophobicContact CG-CG 3.74Å; L77-W89 WeakPolarHBondContact O-CA 3.34Å; Y87-W89 VanDerWaalsContact CB-NE1 3.27Å; Y87-W89 HydrophobicContact CD1-CZ2 4.18Å; Y87-W89 HydrophobicContact CG-CZ2 4.1Å; Y87-W89 VanDerWaalsContact O-CD1 3.23Å; W89-S307 WeakPolarHBondContact CZ3-O 3.47Å; W89-L324 HydrophobicContact CH2-CD1 3.67Å; W89-L324 HydrophobicContact CZ2-CD1 3.62Å
90L98.7Very high96.9Very high32 Ų3249.4 Ų49.417%0.16826%0.263CS..EExtended strand (participates in β ladder)trans-88.8135.3159.6-58.4179.2000109C76 L77 E94 V95 I132C76-L90 WeakPolarHBondContact CA-O 3.34Å; C76-L90 WeakPolarHBondContact CB-O 3.3Å; C76-L90 PolarHBondContact N-O 3.18Å; L77-L90 PolarHBondContact N-O 3.31Å; L77-L90 PolarHBondContact O-N 2.98Å; L90-E94 HydrophobicContact CB-CB 4.43Å; L90-V95 HydrophobicContact CB-CG2 3.68Å; L90-V95 HydrophobicContact CD1-CG2 4.18Å; L90-I132 HydrophobicContact CD1-CD1 4.17Å
91T98.8Very high97.1Very high35 Ų3548.7 Ų48.722%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-74.5162.9169.560.80000111.5N74 N93 E94 V95N74-T91 CarbonylContact O-C 3.54Å; N74-T91 WeakPolarHBondContact O-CA 3.49Å; N74-T91 WeakPolarHBondContact O-CB 3.39Å; T91-N93 VanDerWaalsContact C-N 3.25Å; T91-N93 PolarHBondContact O-N 2.97Å; T91-E94 WeakPolarHBondContact CB-OE2 3.41Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.44Å; T91-E94 PolarHBondContact N-OE2 3.46Å; T91-E94 PolarHBondContact O-N 2.78Å; T91-E94 WeakPolarHBondContact OG1-CB 3.42Å; T91-E94 VanDerWaalsContact OG1-CG 3.29Å; T91-E94 WeakPolarHBondContact OG1-CG 3.25Å; T91-E94 PolarHBondContact OG1-N 3.37Å; T91-E94 PolarHBondContact OG1-OE2 3.02Å; T91-V95 WeakPolarHBondContact O-CG2 3.1Å; T91-V95 PolarHBondContact O-N 3.36Å
92Y98.8Very high97.5Very high0 Ų043.7 Ų43.70%023%0.228CC..Hα-helixtrans-57.2-39.6174.7-89.1-94.4000112.4F64 L68 S71 N74 C76 V95 D96 I301 G304 A305F64-Y92 HydrophobicContact CE2-CD1 4.06Å; F64-Y92 HydrophobicContact CE2-CE1 4.32Å; F64-Y92 HydrophobicContact CZ-CD1 4.29Å; L68-Y92 HydrophobicContact CB-CD1 4.22Å; S71-Y92 WeakPolarHBondContact O-CB 3.45Å; S71-Y92 WeakPolarHBondContact O-CD2 3.31Å; N74-Y92 PolarHBondContact O-N 2.69Å; C76-Y92 HydrophobicContact CB-CD1 4.3Å; C76-Y92 HydrophobicContact CB-CD2 3.5Å; C76-Y92 HydrophobicContact CB-CE1 4.49Å; C76-Y92 HydrophobicContact CB-CE2 3.69Å; C76-Y92 HydrophobicContact CB-CG 3.8Å; Y92-V95 PolarHBondContact O-N 3.24Å; Y92-D96 PolarHBondContact O-N 3.42Å; Y92-I301 HydrophobicContact CE1-CG2 4.33Å; Y92-I301 WeakPolarHBondContact OH-CA 3.48Å; Y92-I301 PolarHBondContact OH-O 2.77Å; Y92-G304 WeakPolarHBondContact CE2-O 3.39Å; Y92-G304 VanDerWaalsContact OH-CA 3.32Å; Y92-G304 WeakPolarHBondContact OH-CA 3.44Å; Y92-A305 WeakPolarHBondContact CE2-O 3.28Å; Y92-A305 PolarHBondContact OH-N 2.75Å; Y92-A305 PolarHBondContact OH-O 2.96Å
93N98.6Very high97.7Very high32 Ų3242 Ų4217%0.17122%0.216CC..Hα-helixtrans-63.1-44.7177-169.978000112.1R72 T91 V95 D96 E97R72-N93 HydrophobicContact CG-CB 3.91Å; R72-N93 PolarHBondContact NE-OD1 3.14Å; R72-N93 PolarHBondContact NH2-OD1 3.28Å; R72-N93 VanDerWaalsContact NH2-OD1 3.13Å; R72-N93 WeakPolarHBondContact O-CB 3.38Å; R72-N93 PolarHBondContact O-N 3.45Å; T91-N93 VanDerWaalsContact C-N 3.25Å; T91-N93 PolarHBondContact O-N 2.97Å; N93-V95 VanDerWaalsContact C-N 3.31Å; N93-V95 PolarHBondContact O-N 2.96Å; N93-D96 PolarHBondContact O-N 3.43Å; N93-E97 PolarHBondContact ND2-OE1 3.47Å; N93-E97 WeakPolarHBondContact O-CG 3.38Å; N93-E97 PolarHBondContact O-N 2.69Å
94E98.7Very high97.9Very high67 Ų6740.9 Ų40.931%0.31321%0.211SC..Hα-helixtrans-65.2-33176.4-78.4171.7128.500112.7L90 T91 R98L90-E94 HydrophobicContact CB-CB 4.43Å; T91-E94 WeakPolarHBondContact CB-OE2 3.41Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.44Å; T91-E94 PolarHBondContact N-OE2 3.46Å; T91-E94 PolarHBondContact O-N 2.78Å; T91-E94 WeakPolarHBondContact OG1-CB 3.42Å; T91-E94 VanDerWaalsContact OG1-CG 3.29Å; T91-E94 WeakPolarHBondContact OG1-CG 3.25Å; T91-E94 PolarHBondContact OG1-N 3.37Å; T91-E94 PolarHBondContact OG1-OE2 3.02Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.46Å; E94-R98 PolarHBondContact O-N 3.2Å; E94-R98 PolarHBondContact O-NH1 3.04Å
95V98.8Very high98.2Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-71-41.7173.6175.30000110.5F64 C76 L77 L90 T91 Y92 N93 E97 R98 I99 I132F64-V95 HydrophobicContact CE2-CB 4.24Å; F64-V95 HydrophobicContact CE2-CG1 3.57Å; F64-V95 HydrophobicContact CZ-CB 4Å; F64-V95 HydrophobicContact CZ-CG1 3.64Å; C76-V95 HydrophobicContact CB-CG2 3.91Å; L77-V95 HydrophobicContact CB-CG2 4.36Å; L77-V95 HydrophobicContact CD1-CG1 4.05Å; L77-V95 HydrophobicContact CD1-CG2 3.89Å; L77-V95 HydrophobicContact CG-CG2 4Å; L90-V95 HydrophobicContact CB-CG2 3.68Å; L90-V95 HydrophobicContact CD1-CG2 4.18Å; T91-V95 WeakPolarHBondContact O-CG2 3.1Å; T91-V95 PolarHBondContact O-N 3.36Å; Y92-V95 PolarHBondContact O-N 3.24Å; N93-V95 VanDerWaalsContact C-N 3.31Å; N93-V95 PolarHBondContact O-N 2.96Å; V95-E97 PolarHBondContact O-N 3.31Å; V95-R98 PolarHBondContact O-N 2.87Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 HydrophobicContact CG1-CG1 4.37Å; V95-I99 WeakPolarHBondContact O-CG1 3.34Å; V95-I99 PolarHBondContact O-N 3.17Å; V95-I132 HydrophobicContact CG1-CG1 4.14Å
96D98.6Very high98.3Very high11 Ų1130.3 Ų30.36%0.05916%0.155CC..Hα-helixtrans-63.5-38.6176.7-176.364.4000112.8F64 L68 Y92 N93 R98 I99 R100 K229F64-D96 HydrophobicContact CE1-CB 3.72Å; F64-D96 HydrophobicContact CZ-CB 4.12Å; L68-D96 HydrophobicContact CD1-CB 4.33Å; L68-D96 HydrophobicContact CD2-CB 3.91Å; Y92-D96 PolarHBondContact O-N 3.42Å; N93-D96 PolarHBondContact O-N 3.43Å; D96-R98 VanDerWaalsContact C-N 3.32Å; D96-R98 PolarHBondContact O-N 3.2Å; D96-I99 PolarHBondContact O-N 2.89Å; D96-R100 WeakPolarHBondContact O-CB 3.4Å; D96-R100 WeakPolarHBondContact O-CG 3.35Å; D96-R100 PolarHBondContact O-N 3.31Å; D96-R100 IonicContact OD2-CZ 3.4Å; D96-R100 IonicContact OD2-NE 3.75Å; D96-R100 PolarHBondContact OD2-NE 2.94Å; D96-R100 IonicContact OD2-NH2 3.06Å; D96-R100 PolarHBondContact OD2-NH2 3.42Å; D96-K229 IonicContact OD1-NZ 2.92Å; D96-K229 PolarHBondContact OD1-NZ 3.22Å
97E98.5Very high98.4Very high76 Ų7628 Ų2836%0.35514%0.141SC..Hα-helixtrans-59.2-43.7172.9-75.2167.5-17700111.4N93 V95 R100 A101N93-E97 PolarHBondContact ND2-OE1 3.47Å; N93-E97 WeakPolarHBondContact O-CG 3.38Å; N93-E97 PolarHBondContact O-N 2.69Å; V95-E97 PolarHBondContact O-N 3.31Å; E97-R100 PolarHBondContact O-N 3.15Å; E97-A101 WeakPolarHBondContact O-CB 3.31Å; E97-A101 PolarHBondContact O-N 3.42Å
98R98.7Very high98.4Very high65 Ų6530.4 Ų30.425%0.24515%0.152CC..Hα-helixtrans-69.5-38.6177.3-65.1-179.2172.871.9-4112.5E94 V95 D96 A101 I102 I132 M219E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.46Å; E94-R98 PolarHBondContact O-N 3.2Å; E94-R98 PolarHBondContact O-NH1 3.04Å; V95-R98 PolarHBondContact O-N 2.87Å; D96-R98 VanDerWaalsContact C-N 3.32Å; D96-R98 PolarHBondContact O-N 3.2Å; R98-A101 PolarHBondContact O-N 2.93Å; R98-I102 WeakPolarHBondContact O-CB 3.26Å; R98-I102 VanDerWaalsContact O-CG1 3.31Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 3.48Å; R98-I132 HydrophobicContact CB-CD1 4.09Å; R98-I132 HydrophobicContact CB-CG1 4.37Å; R98-I132 HydrophobicContact CB-CG2 3.83Å; R98-M219 HydrophobicContact CB-SD 4.08Å; R98-M219 HydrophobicContact CG-SD 3.55Å; R98-M219 VanDerWaalsContact CG-SD 3.55Å
99I98.7Very high98.3Very high1 Ų128.2 Ų28.21%0.00514%0.135CC..Hα-helixtrans-59.2-47.7173.5-75.1163.5000110.4F64 V95 D96 G103 I132 H135 A139F64-I99 HydrophobicContact CD1-CD1 3.85Å; F64-I99 HydrophobicContact CD2-CD1 4.07Å; F64-I99 HydrophobicContact CE1-CD1 3.52Å; F64-I99 HydrophobicContact CE2-CD1 3.77Å; F64-I99 HydrophobicContact CG-CD1 4.12Å; F64-I99 HydrophobicContact CZ-CD1 3.49Å; F64-I99 VanDerWaalsContact CZ-CD1 3.49Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 HydrophobicContact CG1-CG1 4.37Å; V95-I99 WeakPolarHBondContact O-CG1 3.34Å; V95-I99 PolarHBondContact O-N 3.17Å; D96-I99 PolarHBondContact O-N 2.89Å; I99-G103 PolarHBondContact O-N 3.39Å; I99-I132 HydrophobicContact CG1-CG2 4.38Å; I99-H135 HydrophobicContact CD1-CB 3.48Å; I99-H135 VanDerWaalsContact CD1-CB 3.48Å; I99-H135 HydrophobicContact CG1-CB 3.85Å; I99-A139 HydrophobicContact CG2-CB 4.17Å
100R98.6Very high98.2Very high75 Ų7526.2 Ų26.228%0.28313%0.128SC..Hα-helixtrans-63.2-43.4177.9-76.4-175.5-89.6150.5-1.2111.7D96 E97 S104 Y140 L226D96-R100 WeakPolarHBondContact O-CB 3.4Å; D96-R100 WeakPolarHBondContact O-CG 3.35Å; D96-R100 PolarHBondContact O-N 3.31Å; D96-R100 IonicContact OD2-CZ 3.4Å; D96-R100 IonicContact OD2-NE 3.75Å; D96-R100 PolarHBondContact OD2-NE 2.94Å; D96-R100 IonicContact OD2-NH2 3.06Å; D96-R100 PolarHBondContact OD2-NH2 3.42Å; E97-R100 PolarHBondContact O-N 3.15Å; R100-S104 VanDerWaalsContact O-CB 3.22Å; R100-S104 WeakPolarHBondContact O-CB 3.05Å; R100-S104 PolarHBondContact O-N 3.38Å; R100-S104 PolarHBondContact O-OG 3.2Å; R100-Y140 PolarHBondContact O-OH 2.83Å; R100-L226 HydrophobicContact CB-CD2 4.21Å
101A98.7Very high97.9Very high1 Ų130.9 Ų30.91%0.00815%0.149CC..Hα-helixtrans-62.3-55.6176.600000111.6E97 R98 G103 S104 A105 M219 G222 M223E97-A101 WeakPolarHBondContact O-CB 3.31Å; E97-A101 PolarHBondContact O-N 3.42Å; R98-A101 PolarHBondContact O-N 2.93Å; A101-G103 PolarHBondContact O-N 2.94Å; A101-S104 PolarHBondContact O-N 3.05Å; A101-A105 PolarHBondContact O-N 3.02Å; A101-M219 HydrophobicContact CB-CG 3.8Å; A101-G222 VanDerWaalsContact O-CA 3.3Å; A101-G222 WeakPolarHBondContact O-CA 3.47Å; A101-M223 HydrophobicContact CB-CB 4.5Å
102I98.7Very high97.6Very high0 Ų032.1 Ų32.10%015%0.151CC..Hα-helixtrans-60.4-46.5-179.7-66-67.3000111.3R98 S104 A105 L106 I132 M133 A136 F215 L218 M219R98-I102 WeakPolarHBondContact O-CB 3.26Å; R98-I102 VanDerWaalsContact O-CG1 3.31Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 3.48Å; I102-S104 VanDerWaalsContact C-N 3.35Å; I102-S104 PolarHBondContact O-N 2.87Å; I102-A105 WeakPolarHBondContact O-CB 3.34Å; I102-A105 PolarHBondContact O-N 3.03Å; I102-A105 VanDerWaalsContact O-N 3.14Å; I102-L106 HydrophobicContact CG2-CD1 4.11Å; I102-L106 HydrophobicContact CG2-CG 4.24Å; I102-L106 WeakPolarHBondContact O-CG 3.48Å; I102-L106 PolarHBondContact O-N 3.14Å; I102-I132 HydrophobicContact CG1-CG2 4.05Å; I102-M133 HydrophobicContact CG2-CE 3.97Å; I102-M133 HydrophobicContact CG2-SD 3.86Å; I102-A136 HydrophobicContact CB-CB 3.93Å; I102-A136 HydrophobicContact CG2-CB 3.63Å; I102-F215 HydrophobicContact CD1-CD1 4.38Å; I102-F215 HydrophobicContact CD1-CD2 4.19Å; I102-F215 HydrophobicContact CD1-CE1 3.99Å; I102-F215 HydrophobicContact CD1-CE2 3.8Å; I102-F215 HydrophobicContact CD1-CG 4.47Å; I102-F215 HydrophobicContact CD1-CZ 3.69Å; I102-F215 HydrophobicContact CG1-CE1 4.31Å; I102-F215 HydrophobicContact CG1-CE2 4.21Å; I102-F215 HydrophobicContact CG1-CZ 3.8Å; I102-L218 HydrophobicContact CD1-CB 4.4Å; I102-L218 HydrophobicContact CD1-CD2 4.11Å; I102-L218 HydrophobicContact CD1-CG 4.34Å; I102-M219 HydrophobicContact CD1-CB 3.88Å
103G98.4Very high97.2Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-65.1-36.1-179.600000113.8I99 A101 L106 S107 Y140I99-G103 PolarHBondContact O-N 3.39Å; A101-G103 PolarHBondContact O-N 2.94Å; G103-L106 PolarHBondContact O-N 2.93Å; G103-S107 PolarHBondContact O-N 3.12Å; G103-S107 PolarHBondContact O-OG 2.92Å; G103-Y140 VanDerWaalsContact CA-CD2 3.43Å; G103-Y140 WeakPolarHBondContact O-CD1 3.2Å
104S98.6Very high96.6Very high0 Ų042.7 Ų42.70%020%0.198CC..Hα-helixtrans-65.3-39.7172.1-57.80000111.7R100 A101 I102 K108 Y140 L227R100-S104 VanDerWaalsContact O-CB 3.22Å; R100-S104 WeakPolarHBondContact O-CB 3.05Å; R100-S104 PolarHBondContact O-N 3.38Å; R100-S104 PolarHBondContact O-OG 3.2Å; A101-S104 PolarHBondContact O-N 3.05Å; I102-S104 VanDerWaalsContact C-N 3.35Å; I102-S104 PolarHBondContact O-N 2.87Å; S104-K108 WeakPolarHBondContact O-CG 3.35Å; S104-K108 PolarHBondContact O-N 2.91Å; S104-Y140 PolarHBondContact OG-OH 3.38Å; S104-L227 PolarHBondContact OG-N 2.65Å; S104-L227 PolarHBondContact OG-O 2.74Å
105A98.6Very high95.9Very high0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-68.3-43.9176.800000112A101 I102 S107 K108 V109 L218 L221A101-A105 PolarHBondContact O-N 3.02Å; I102-A105 WeakPolarHBondContact O-CB 3.34Å; I102-A105 PolarHBondContact O-N 3.03Å; I102-A105 VanDerWaalsContact O-N 3.14Å; A105-S107 VanDerWaalsContact C-N 3.29Å; A105-S107 PolarHBondContact O-N 3.18Å; A105-K108 WeakPolarHBondContact O-CB 3.46Å; A105-K108 PolarHBondContact O-N 3.11Å; A105-V109 WeakPolarHBondContact O-CG2 3.27Å; A105-V109 PolarHBondContact O-N 2.95Å; A105-L218 HydrophobicContact CB-CD1 3.66Å; A105-L218 HydrophobicContact CB-CG 3.67Å; A105-L218 WeakPolarHBondContact CB-O 3.19Å; A105-L221 HydrophobicContact CB-CB 4.47Å; A105-L221 HydrophobicContact CB-CD2 4.41Å
106L98.2Very high95.5Very high0 Ų050.4 Ų50.40%025%0.246CC..Hα-helixtrans-55.6-45.2174.5-71.7176.2000111.4I102 G103 K108 V109 V110 I120 M133 Y142 I191 L218I102-L106 HydrophobicContact CG2-CD1 4.11Å; I102-L106 HydrophobicContact CG2-CG 4.24Å; I102-L106 WeakPolarHBondContact O-CG 3.48Å; I102-L106 PolarHBondContact O-N 3.14Å; G103-L106 PolarHBondContact O-N 2.93Å; L106-K108 PolarHBondContact O-N 3.32Å; L106-K108 VanDerWaalsContact O-N 3.09Å; L106-V109 PolarHBondContact O-N 3.16Å; L106-V110 HydrophobicContact CD2-CG2 3.92Å; L106-V110 WeakPolarHBondContact O-CA 3.48Å; L106-V110 WeakPolarHBondContact O-CB 3.49Å; L106-V110 PolarHBondContact O-N 3.04Å; L106-I120 HydrophobicContact CD1-CD1 3.8Å; L106-I120 HydrophobicContact CD2-CD1 3.89Å; L106-I120 HydrophobicContact CG-CD1 4.35Å; L106-M133 HydrophobicContact CD1-SD 3.82Å; L106-M133 HydrophobicContact CD2-SD 4.44Å; L106-Y142 HydrophobicContact CB-CD2 4.47Å; L106-Y142 HydrophobicContact CB-CE2 3.87Å; L106-Y142 HydrophobicContact CD1-CD2 4.43Å; L106-Y142 PolarHBondContact O-OH 3.13Å; L106-I191 HydrophobicContact CD2-CD1 3.9Å; L106-L218 HydrophobicContact CD2-CD2 4.37Å
107S96.8Very high95.2Very high47 Ų4754 Ų5433%0.32926%0.262SS..Hα-helixtrans-62.1-18.1177.9-56.30000114.1G103 A105 Y140 Y142G103-S107 PolarHBondContact O-N 3.12Å; G103-S107 PolarHBondContact O-OG 2.92Å; A105-S107 VanDerWaalsContact C-N 3.29Å; A105-S107 PolarHBondContact O-N 3.18Å; S107-Y140 WeakPolarHBondContact OG-CD1 3.47Å; S107-Y142 WeakPolarHBondContact CA-OH 3.37Å
108K96.6Very high95.1Very high73 Ų7351 Ų5132%0.31725%0.249SC..Hα-helixtrans-95-38.4177.2-65.6174.5-166.5-172.90112.7S104 A105 L106 E225 L227S104-K108 WeakPolarHBondContact O-CG 3.35Å; S104-K108 PolarHBondContact O-N 2.91Å; A105-K108 WeakPolarHBondContact O-CB 3.46Å; A105-K108 PolarHBondContact O-N 3.11Å; L106-K108 PolarHBondContact O-N 3.32Å; L106-K108 VanDerWaalsContact O-N 3.09Å; K108-E225 WeakPolarHBondContact CE-O 3.42Å; K108-E225 WeakPolarHBondContact CE-OE2 3.49Å; K108-E225 VanDerWaalsContact NZ-CB 3.27Å; K108-E225 PolarHBondContact NZ-O 3.43Å; K108-E225 IonicContact NZ-OE2 2.93Å; K108-E225 PolarHBondContact NZ-OE2 3.3Å; K108-L227 HydrophobicContact CG-CD1 4.15Å
109V96.9Very high95Very high31 Ų3148.5 Ų48.519%0.18824%0.241CC..Hα-helixtrans-96.7-30.4-172.4-52.80000112.7A105 L106 I189 Y213 L218 L221A105-V109 WeakPolarHBondContact O-CG2 3.27Å; A105-V109 PolarHBondContact O-N 2.95Å; L106-V109 PolarHBondContact O-N 3.16Å; V109-I189 HydrophobicContact CG2-CD1 4.48Å; V109-I189 WeakPolarHBondContact O-CD1 3.23Å; V109-Y213 HydrophobicContact CB-CE2 4.42Å; V109-Y213 HydrophobicContact CG1-CE2 4.36Å; V109-L218 HydrophobicContact CG1-CD1 4.4Å; V109-L218 HydrophobicContact CG2-CD1 3.99Å; V109-L221 HydrophobicContact CG1-CD2 3.57Å
110V96.2Very high95Very high4 Ų448.5 Ų48.52%0.02424%0.24CC..SBendtrans-102.2111.2178.2-170.40000108.7L106 F112 Y142 C167 I189L106-V110 HydrophobicContact CD2-CG2 3.92Å; L106-V110 WeakPolarHBondContact O-CA 3.48Å; L106-V110 WeakPolarHBondContact O-CB 3.49Å; L106-V110 PolarHBondContact O-N 3.04Å; V110-F112 PolarHBondContact O-N 3.05Å; V110-Y142 HydrophobicContact CB-CE1 4.13Å; V110-Y142 HydrophobicContact CG1-CE1 3.91Å; V110-Y142 PolarHBondContact O-OH 2.95Å; V110-C167 HydrophobicContact CG1-CB 4.39Å; V110-C167 HydrophobicContact CG2-CB 4.03Å; V110-I189 HydrophobicContact CB-CD1 4.35Å; V110-I189 HydrophobicContact CG2-CD1 3.84Å
111E92Very high95Very high130 Ų13044.9 Ų44.961%0.60723%0.227SC*.  trans-57.1122.1175.3-174-172.6-164.200110.8K113E111-K113 HydrophobicContact CG-CG 4.38Å; E111-K113 WeakPolarHBondContact OE2-CE 3.49Å
112F91.3Very high95Very high61 Ų6144.9 Ų44.927%0.26823%0.226SC..  trans-84.6115.6174.7-167-78.2000109.9V110 N118 S141 Y142 K230V110-F112 PolarHBondContact O-N 3.05Å; F112-N118 HydrophobicContact CD2-CB 4.41Å; F112-N118 HydrophobicContact CE2-CB 4.17Å; F112-N118 WeakPolarHBondContact CZ-ND2 3.34Å; F112-S141 WeakPolarHBondContact CE2-O 3.37Å; F112-Y142 HydrophobicContact CD2-CE1 4.11Å; F112-K230 VanDerWaalsContact CD1-NZ 3.28Å; F112-K230 VanDerWaalsContact CZ-NZ 3.35Å
113K91.7Very high94.9Very high90 Ų9045.5 Ų45.539%0.39123%0.229SC..  trans-101127.8-177.7-64.7175.5-176.1175.90109.9E111 D115 S116 N118E111-K113 HydrophobicContact CG-CG 4.38Å; E111-K113 WeakPolarHBondContact OE2-CE 3.49Å; K113-D115 VanDerWaalsContact C-N 3.34Å; K113-D115 PolarHBondContact O-N 2.84Å; K113-S116 PolarHBondContact O-N 3.15Å; K113-N118 PolarHBondContact N-OD1 3.38Å; K113-N118 PolarHBondContact O-ND2 2.67Å; K113-N118 PolarHBondContact O-OD1 3.35Å
114H85.3Confident94.8Very high164 Ų16445.5 Ų45.576%0.75923%0.229SC*.THydrogen-bonded Turntrans-67.9-30.7-176.1-74.8-77.3000113.9
115D84.3Confident94.5Very high174 Ų17449.1 Ų49.193%0.9325%0.252SS*.THydrogen-bonded Turntrans-102.933.3-178.8-57.1-47.4000112.3K113K113-D115 VanDerWaalsContact C-N 3.34Å; K113-D115 PolarHBondContact O-N 2.84Å
116S89.3Confident94.3Very high56 Ų5650.6 Ų50.639%0.39226%0.26SS..SBendtrans-138.4156.3-177.6-178.80000111.2K113 N118K113-S116 PolarHBondContact O-N 3.15Å; S116-N118 PolarHBondContact O-N 3.2Å; S116-N118 PolarHBondContact O-ND2 3.07Å; S116-N118 PolarHBondContact OG-N 3.33Å
117E92.5Very high94.3Very high85 Ų8551.5 Ų51.540%0.39727%0.267SS..  trans-74-3.7172.9-56.4-56.2171.200113.3V119 T143 L237 F487E117-V119 HydrophobicContact CB-CG1 3.99Å; E117-V119 PolarHBondContact O-N 3.43Å; E117-T143 WeakPolarHBondContact O-CB 3.39Å; E117-T143 PolarHBondContact O-OG1 2.93Å; E117-L237 HydrophobicContact CB-CD1 4.25Å; E117-L237 VanDerWaalsContact CD-CD1 3.49Å; E117-L237 HydrophobicContact CG-CD1 3.92Å; E117-L237 WeakPolarHBondContact OE2-CD1 3.19Å; E117-F487 HydrophobicContact CG-CE2 3.75Å
118N96.1Very high94.3Very high15 Ų1549.4 Ų49.48%0.0825%0.252CS..  trans48.957.6176.1-65.2-69.9000112.4F112 K113 S116 Y142 T143F112-N118 HydrophobicContact CD2-CB 4.41Å; F112-N118 HydrophobicContact CE2-CB 4.17Å; F112-N118 WeakPolarHBondContact CZ-ND2 3.34Å; K113-N118 PolarHBondContact N-OD1 3.38Å; K113-N118 PolarHBondContact O-ND2 2.67Å; K113-N118 PolarHBondContact O-OD1 3.35Å; S116-N118 PolarHBondContact O-N 3.2Å; S116-N118 PolarHBondContact O-ND2 3.07Å; S116-N118 PolarHBondContact OG-N 3.33Å; N118-Y142 HydrophobicContact CB-CD1 3.98Å; N118-Y142 HydrophobicContact CB-CE1 4.48Å; N118-Y142 WeakPolarHBondContact O-CA 3.38Å; N118-T143 PolarHBondContact O-N 3.47Å
119V97.9Very high94.4Very high12 Ų1247 Ų477%0.07324%0.242CC..EExtended strand (participates in β ladder)trans-81.2138.3-171.6-69.90000113.1E117 T143 V145 M165 I240E117-V119 HydrophobicContact CB-CG1 3.99Å; E117-V119 PolarHBondContact O-N 3.43Å; V119-T143 CarbonylContact C-O 3.6Å; V119-T143 WeakPolarHBondContact CA-O 3.45Å; V119-T143 HydrophobicContact CG1-CG2 4.26Å; V119-V145 HydrophobicContact CB-CG2 3.86Å; V119-V145 HydrophobicContact CG1-CG2 3.9Å; V119-M165 HydrophobicContact CB-CB 4.47Å; V119-M165 HydrophobicContact CG2-CB 3.62Å; V119-I240 HydrophobicContact CG1-CD1 3.82Å
120I98.6Very high94.5Very high0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-124.2121.2170.4-63.2177.6000108.7L106 Y142 T143 I144 V145 C167L106-I120 HydrophobicContact CD1-CD1 3.8Å; L106-I120 HydrophobicContact CD2-CD1 3.89Å; L106-I120 HydrophobicContact CG-CD1 4.35Å; I120-Y142 HydrophobicContact CD1-CD1 3.67Å; I120-Y142 HydrophobicContact CD1-CD2 4.18Å; I120-Y142 HydrophobicContact CD1-CE1 4.26Å; I120-Y142 HydrophobicContact CD1-CG 3.62Å; I120-Y142 HydrophobicContact CG1-CD1 4.1Å; I120-Y142 HydrophobicContact CG1-CG 4.35Å; I120-T143 PolarHBondContact N-O 3.16Å; I120-I144 CarbonylContact O-C 3.57Å; I120-I144 WeakPolarHBondContact O-CA 3.46Å; I120-V145 PolarHBondContact O-N 2.86Å; I120-C167 HydrophobicContact CG1-CB 4.39Å
121G98.6Very high94.6Very high0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-76.3145.317600000112.1V145 C167 V168 L169G121-V145 WeakPolarHBondContact CA-O 3.32Å; G121-C167 PolarHBondContact N-O 3.1Å; G121-V168 CarbonylContact O-C 3.07Å; G121-V168 WeakPolarHBondContact O-CA 3.42Å; G121-L169 PolarHBondContact O-N 2.87Å
122I98.7Very high95Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-125.8105.4170.9-51.8177.1000109.3A124 W130 M133 I144 V145 L147 L169I122-A124 HydrophobicContact CG2-CB 4.47Å; I122-W130 HydrophobicContact CB-CZ2 4.48Å; I122-W130 HydrophobicContact CD1-CZ2 4.32Å; I122-W130 HydrophobicContact CG2-CD2 4.25Å; I122-W130 HydrophobicContact CG2-CG 3.95Å; I122-W130 HydrophobicContact CG2-CZ2 4.46Å; I122-M133 HydrophobicContact CD1-CB 4.28Å; I122-M133 HydrophobicContact CD1-CG 3.87Å; I122-M133 HydrophobicContact CG1-CG 4.2Å; I122-I144 HydrophobicContact CD1-CB 4.29Å; I122-I144 HydrophobicContact CD1-CD1 4.43Å; I122-I144 HydrophobicContact CD1-CG2 4.05Å; I122-V145 PolarHBondContact N-O 2.85Å; I122-L147 PolarHBondContact O-N 2.85Å; I122-L169 HydrophobicContact CG2-CB 4.32Å; I122-L169 HydrophobicContact CG2-CD2 4.01Å; I122-L169 HydrophobicContact CG2-CG 4.4Å
123Y97.3Very high95.3Very high13 Ų1336.5 Ų36.55%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-10877.5177.8-172.2-169.7000110.5L147 P149 M156 L169 C170 A171 E175 H178 L179Y123-L147 HydrophobicContact CD2-CB 4.48Å; Y123-L147 HydrophobicContact CG-CB 4.4Å; Y123-P149 HydrophobicContact CE2-CB 4.11Å; Y123-P149 HydrophobicContact CE2-CG 4.43Å; Y123-M156 HydrophobicContact CD1-CE 4.27Å; Y123-M156 HydrophobicContact CE1-CE 4.03Å; Y123-L169 PolarHBondContact N-O 3.38Å; Y123-C170 WeakPolarHBondContact O-CA 3.43Å; Y123-A171 PolarHBondContact O-N 3.2Å; Y123-A171 VanDerWaalsContact O-N 3.1Å; Y123-E175 HydrophobicContact CD1-CB 3.76Å; Y123-E175 HydrophobicContact CD1-CG 4.17Å; Y123-E175 HydrophobicContact CD2-CG 4.15Å; Y123-E175 HydrophobicContact CE1-CB 3.79Å; Y123-E175 HydrophobicContact CE1-CG 3.99Å; Y123-E175 HydrophobicContact CE2-CB 4.49Å; Y123-E175 HydrophobicContact CE2-CG 3.87Å; Y123-E175 HydrophobicContact CG-CB 4.2Å; Y123-E175 HydrophobicContact CG-CG 4.27Å; Y123-H178 AromaticContact CE1-ND1 3.86Å; Y123-H178 AromaticContact CZ-ND1 3.85Å; Y123-H178 PolarHBondContact OH-ND1 2.92Å; Y123-L179 HydrophobicContact CD1-CD1 3.89Å; Y123-L179 HydrophobicContact CD1-CD2 3.99Å; Y123-L179 HydrophobicContact CD1-CG 3.81Å; Y123-L179 HydrophobicContact CE1-CD2 4.21Å; Y123-L179 HydrophobicContact CE1-CG 4.11Å
124A95.2Very high95.6Very high1 Ų132.2 Ų32.21%0.00817%0.173CC..SBendtrans-153.1154.6179.700000112I122 A171 I193I122-A124 HydrophobicContact CG2-CB 4.47Å; A124-A171 HydrophobicContact CB-CB 3.78Å; A124-I193 HydrophobicContact CB-CD1 4.33Å
125P92.3Very high96.3Very high75 Ų7524.5 Ų24.549%0.48714%0.137SC..  trans-67.3171.8165.333.2-34.1000110.2S127 A171P125-S127 PolarHBondContact O-N 3.2Å; P125-A171 HydrophobicContact CG-CB 4.48Å
126N95.2Very high97Very high31 Ų3116.2 Ų16.217%0.1669%0.093CC..SBendtrans-61.7127.3179.6-59.118.3000111.3S284 L286 L288 F309N126-S284 PolarHBondContact ND2-OG 3.21Å; N126-L286 PolarHBondContact ND2-O 2.86Å; N126-L288 HydrophobicContact CB-CD1 3.69Å; N126-L288 HydrophobicContact CB-CG 4.23Å; N126-L288 PolarHBondContact OD1-N 3.13Å; N126-F309 HydrophobicContact CB-CD1 3.76Å; N126-F309 HydrophobicContact CB-CE1 4.14Å
127S96.9Very high97.4Very high19 Ų1913.5 Ų13.513%0.1337%0.074CC..  trans-155165.4176.186.30000111.1P125 E129 W130 V131P125-S127 PolarHBondContact O-N 3.2Å; S127-E129 WeakPolarHBondContact CB-OE2 3.41Å; S127-E129 PolarHBondContact O-N 3.26Å; S127-E129 PolarHBondContact OG-N 3.39Å; S127-E129 PolarHBondContact OG-OE2 2.7Å; S127-W130 VanDerWaalsContact O-CB 3.31Å; S127-W130 WeakPolarHBondContact O-CB 3.29Å; S127-W130 PolarHBondContact O-N 3.3Å; S127-W130 PolarHBondContact OG-N 2.97Å; S127-V131 PolarHBondContact O-N 3.43Å
128P98.4Very high97.7Very high4 Ų49.5 Ų9.53%0.0266%0.055CC..Hα-helixtrans-55.6-39.6171-27.136.6000113.1L77 K79 W130 V131 I132 F309L77-P128 HydrophobicContact CB-CB 4.12Å; L77-P128 HydrophobicContact CB-CG 4.43Å; L77-P128 HydrophobicContact CD1-CB 4.2Å; K79-P128 HydrophobicContact CB-CG 4.08Å; K79-P128 HydrophobicContact CD-CG 3.96Å; K79-P128 HydrophobicContact CG-CG 4.12Å; P128-W130 VanDerWaalsContact C-N 3.33Å; P128-W130 PolarHBondContact O-N 3.5Å; P128-V131 PolarHBondContact O-N 3.32Å; P128-I132 WeakPolarHBondContact O-CD1 3.38Å; P128-I132 VanDerWaalsContact O-CG1 3.26Å; P128-I132 WeakPolarHBondContact O-CG1 3.21Å; P128-I132 PolarHBondContact O-N 3.03Å; P128-F309 HydrophobicContact CB-CE2 4.39Å; P128-F309 HydrophobicContact CG-CD2 3.77Å; P128-F309 HydrophobicContact CG-CE2 3.83Å
129E98.5Very high97.8Very high23 Ų238.9 Ų8.911%0.1075%0.052CC..Hα-helixtrans-65-37.2179.8-57.278.9-170.600111.7K79 S127 V131 I132 M133 I193 F215K79-E129 IonicContact NZ-OE1 3.47Å; K79-E129 PolarHBondContact NZ-OE1 2.76Å; S127-E129 WeakPolarHBondContact CB-OE2 3.41Å; S127-E129 PolarHBondContact O-N 3.26Å; S127-E129 PolarHBondContact OG-N 3.39Å; S127-E129 PolarHBondContact OG-OE2 2.7Å; E129-V131 VanDerWaalsContact C-N 3.35Å; E129-V131 PolarHBondContact O-N 2.82Å; E129-I132 PolarHBondContact O-N 3.12Å; E129-M133 WeakPolarHBondContact O-CB 3.38Å; E129-M133 PolarHBondContact O-N 3.08Å; E129-I193 HydrophobicContact CB-CD1 3.73Å; E129-I193 HydrophobicContact CB-CG1 4Å; E129-I193 HydrophobicContact CB-CG2 4.26Å; E129-I193 HydrophobicContact CG-CG1 4.45Å; E129-I193 HydrophobicContact CG-CG2 3.85Å; E129-F215 HydrophobicContact CB-CD1 4.38Å; E129-F215 HydrophobicContact CB-CD2 4.49Å; E129-F215 HydrophobicContact CB-CE1 4.07Å; E129-F215 HydrophobicContact CB-CE2 4.16Å; E129-F215 HydrophobicContact CB-CZ 3.94Å; E129-F215 HydrophobicContact CG-CD1 4.05Å; E129-F215 HydrophobicContact CG-CE1 3.91Å; E129-F215 HydrophobicContact CG-CZ 4.32Å
130W98.4Very high97.8Very high0 Ų08.4 Ų8.40%05%0.049CC..Hα-helixtrans-56.1-49.6171.8-163.9109.8000111.1I122 S127 P128 M133 Q134 I144 P146 L288 Q294I122-W130 HydrophobicContact CB-CZ2 4.48Å; I122-W130 HydrophobicContact CD1-CZ2 4.32Å; I122-W130 HydrophobicContact CG2-CD2 4.25Å; I122-W130 HydrophobicContact CG2-CG 3.95Å; I122-W130 HydrophobicContact CG2-CZ2 4.46Å; S127-W130 VanDerWaalsContact O-CB 3.31Å; S127-W130 WeakPolarHBondContact O-CB 3.29Å; S127-W130 PolarHBondContact O-N 3.3Å; S127-W130 PolarHBondContact OG-N 2.97Å; P128-W130 VanDerWaalsContact C-N 3.33Å; P128-W130 PolarHBondContact O-N 3.5Å; W130-M133 PolarHBondContact O-N 2.9Å; W130-Q134 HydrophobicContact CE3-CB 4.04Å; W130-Q134 HydrophobicContact CZ3-CB 3.78Å; W130-Q134 HydrophobicContact CZ3-CG 3.88Å; W130-Q134 VanDerWaalsContact CZ3-OE1 3.3Å; W130-Q134 WeakPolarHBondContact O-CB 3.45Å; W130-Q134 PolarHBondContact O-N 3.19Å; W130-I144 HydrophobicContact CH2-CD1 4.06Å; W130-P146 HydrophobicContact CH2-CG 4.35Å; W130-P146 HydrophobicContact CZ2-CB 4.04Å; W130-P146 HydrophobicContact CZ2-CG 4.17Å; W130-L288 HydrophobicContact CB-CD1 4.15Å; W130-L288 HydrophobicContact CD2-CB 3.85Å; W130-L288 HydrophobicContact CD2-CD1 3.44Å; W130-L288 VanDerWaalsContact CD2-CD1 3.44Å; W130-L288 HydrophobicContact CD2-CG 4.16Å; W130-L288 HydrophobicContact CE3-CB 3.9Å; W130-L288 HydrophobicContact CE3-CD1 3.34Å; W130-L288 HydrophobicContact CE3-CD2 4.05Å; W130-L288 HydrophobicContact CE3-CG 3.93Å; W130-L288 HydrophobicContact CG-CD1 3.77Å; W130-L288 HydrophobicContact CH2-CB 3.76Å; W130-L288 HydrophobicContact CH2-CD2 4.5Å; W130-L288 HydrophobicContact CZ2-CB 3.64Å; W130-L288 HydrophobicContact CZ3-CB 3.81Å; W130-L288 HydrophobicContact CZ3-CD1 4Å; W130-L288 HydrophobicContact CZ3-CD2 3.86Å; W130-L288 HydrophobicContact CZ3-CG 4.08Å; W130-Q294 VanDerWaalsContact CZ3-NE2 3.33Å
131V98.8Very high97.7Very high1 Ų19.3 Ų9.31%0.0066%0.056CC..Hα-helixtrans-70.5-37.4-178.2178.90000111.9L77 S127 P128 E129 Q134 H135 L288 L297 I301 F309L77-V131 HydrophobicContact CD1-CB 3.94Å; L77-V131 HydrophobicContact CD1-CG1 3.91Å; L77-V131 HydrophobicContact CD2-CB 4.42Å; L77-V131 HydrophobicContact CD2-CG1 4.05Å; S127-V131 PolarHBondContact O-N 3.43Å; P128-V131 PolarHBondContact O-N 3.32Å; E129-V131 VanDerWaalsContact C-N 3.35Å; E129-V131 PolarHBondContact O-N 2.82Å; V131-Q134 WeakPolarHBondContact O-CB 3.07Å; V131-Q134 PolarHBondContact O-N 3Å; V131-H135 PolarHBondContact O-CD2 2.81Å; V131-H135 VanDerWaalsContact O-CD2 3.3Å; V131-H135 PolarHBondContact O-N 3.28Å; V131-L288 HydrophobicContact CG2-CD1 4.15Å; V131-L297 HydrophobicContact CB-CD2 4.4Å; V131-L297 HydrophobicContact CG1-CD2 4.03Å; V131-L297 HydrophobicContact CG2-CD2 3.45Å; V131-L297 VanDerWaalsContact CG2-CD2 3.45Å; V131-I301 HydrophobicContact CG1-CD1 4.18Å; V131-F309 HydrophobicContact CG2-CE1 4.08Å; V131-F309 HydrophobicContact CG2-CZ 3.69Å
132I98.9Very high97.7Very high3 Ų39.4 Ų9.42%0.0156%0.056CC..Hα-helixtrans-62-46.1173.8-70.6159.6000110.3L77 L90 V95 R98 I99 I102 P128 E129 H135 A136 F215L77-I132 HydrophobicContact CD1-CG1 4.25Å; L90-I132 HydrophobicContact CD1-CD1 4.17Å; V95-I132 HydrophobicContact CG1-CG1 4.14Å; R98-I132 HydrophobicContact CB-CD1 4.09Å; R98-I132 HydrophobicContact CB-CG1 4.37Å; R98-I132 HydrophobicContact CB-CG2 3.83Å; I99-I132 HydrophobicContact CG1-CG2 4.38Å; I102-I132 HydrophobicContact CG1-CG2 4.05Å; P128-I132 WeakPolarHBondContact O-CD1 3.38Å; P128-I132 VanDerWaalsContact O-CG1 3.26Å; P128-I132 WeakPolarHBondContact O-CG1 3.21Å; P128-I132 PolarHBondContact O-N 3.03Å; E129-I132 PolarHBondContact O-N 3.12Å; I132-H135 PolarHBondContact O-N 2.93Å; I132-A136 VanDerWaalsContact O-CB 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.44Å; I132-A136 PolarHBondContact O-N 3.22Å; I132-F215 HydrophobicContact CB-CZ 4.28Å; I132-F215 HydrophobicContact CG2-CZ 3.92Å
133M98.8Very high97.7Very high0 Ų09.7 Ų9.70%06%0.058CC..Hα-helixtrans-61.7-47.1177-178.660.28100111.6I102 L106 I122 E129 W130 H135 A136 C137 L169 I191 F215 L218I102-M133 HydrophobicContact CG2-CE 3.97Å; I102-M133 HydrophobicContact CG2-SD 3.86Å; L106-M133 HydrophobicContact CD1-SD 3.82Å; L106-M133 HydrophobicContact CD2-SD 4.44Å; I122-M133 HydrophobicContact CD1-CB 4.28Å; I122-M133 HydrophobicContact CD1-CG 3.87Å; I122-M133 HydrophobicContact CG1-CG 4.2Å; E129-M133 WeakPolarHBondContact O-CB 3.38Å; E129-M133 PolarHBondContact O-N 3.08Å; W130-M133 PolarHBondContact O-N 2.9Å; M133-H135 VanDerWaalsContact C-N 3.34Å; M133-H135 PolarHBondContact O-N 3.47Å; M133-A136 PolarHBondContact O-N 2.92Å; M133-C137 PolarHBondContact O-N 3.05Å; M133-C137 PolarHBondContact O-SG 3.09Å; M133-L169 HydrophobicContact CB-CD2 3.51Å; M133-L169 HydrophobicContact CE-CB 4.19Å; M133-L169 HydrophobicContact CE-CD1 4.15Å; M133-L169 HydrophobicContact CE-CD2 4.04Å; M133-L169 HydrophobicContact CE-CG 4.37Å; M133-L169 HydrophobicContact CG-CB 4.38Å; M133-L169 HydrophobicContact CG-CD2 3.63Å; M133-I191 HydrophobicContact CE-CD1 3.75Å; M133-I191 HydrophobicContact CE-CG2 4.39Å; M133-F215 HydrophobicContact CE-CD2 4.45Å; M133-F215 HydrophobicContact CE-CE2 4.14Å; M133-L218 HydrophobicContact CE-CD2 4.43Å
134Q98.7Very high97.8Very high0 Ų09.1 Ų9.10%06%0.056CC..Hα-helixtrans-52.4-49.4175.2170.8-163.919.900112.1W130 V131 A138 I144 Y238W130-Q134 HydrophobicContact CE3-CB 4.04Å; W130-Q134 HydrophobicContact CZ3-CB 3.78Å; W130-Q134 HydrophobicContact CZ3-CG 3.88Å; W130-Q134 VanDerWaalsContact CZ3-OE1 3.3Å; W130-Q134 WeakPolarHBondContact O-CB 3.45Å; W130-Q134 PolarHBondContact O-N 3.19Å; V131-Q134 WeakPolarHBondContact O-CB 3.07Å; V131-Q134 PolarHBondContact O-N 3Å; Q134-A138 PolarHBondContact O-N 3.29Å; Q134-I144 HydrophobicContact CB-CD1 4.25Å; Q134-I144 HydrophobicContact CG-CD1 3.85Å; Q134-Y238 HydrophobicContact CG-CE2 4.35Å; Q134-Y238 WeakPolarHBondContact CG-OH 3.33Å; Q134-Y238 PolarHBondContact NE2-OH 3.39Å
135H98.7Very high97.9Very high2 Ų29 Ų91%0.0096%0.055CC..Hα-helixtrans-77-27.6-179.2-79.1-76.5000113.5I99 V131 I132 M133 A139 I301I99-H135 HydrophobicContact CD1-CB 3.48Å; I99-H135 VanDerWaalsContact CD1-CB 3.48Å; I99-H135 HydrophobicContact CG1-CB 3.85Å; V131-H135 PolarHBondContact O-CD2 2.81Å; V131-H135 VanDerWaalsContact O-CD2 3.3Å; V131-H135 PolarHBondContact O-N 3.28Å; I132-H135 PolarHBondContact O-N 2.93Å; M133-H135 VanDerWaalsContact C-N 3.34Å; M133-H135 PolarHBondContact O-N 3.47Å; H135-A139 WeakPolarHBondContact O-CB 3.26Å; H135-A139 PolarHBondContact O-N 3.29Å; H135-I301 VanDerWaalsContact NE2-CD1 3.33Å; H135-I301 WeakPolarHBondContact NE2-CD1 3.26Å
136A98.7Very high98.2Very high0 Ų05.7 Ų5.70%03%0.033CC..Hα-helixtrans-63.5-46.5169.100000111.1I102 I132 M133 A138 A139 Y140I102-A136 HydrophobicContact CB-CB 3.93Å; I102-A136 HydrophobicContact CG2-CB 3.63Å; I132-A136 VanDerWaalsContact O-CB 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.44Å; I132-A136 PolarHBondContact O-N 3.22Å; M133-A136 PolarHBondContact O-N 2.92Å; A136-A138 PolarHBondContact O-N 2.97Å; A136-A139 PolarHBondContact O-N 2.87Å; A136-Y140 WeakPolarHBondContact O-CD2 3.23Å; A136-Y140 PolarHBondContact O-N 2.8Å; A136-Y140 VanDerWaalsContact O-N 3.09Å
137C98.7Very high98.1Very high0 Ų04.2 Ų4.20%03%0.025CC..Hα-helixtrans-58.4-50.7174.9-65.40000111M133 A139 Y140 S141 Y142 I144M133-C137 PolarHBondContact O-N 3.05Å; M133-C137 PolarHBondContact O-SG 3.09Å; C137-A139 VanDerWaalsContact C-N 3.28Å; C137-A139 PolarHBondContact O-N 3.19Å; C137-Y140 CarbonylContact O-C 3.59Å; C137-Y140 PolarHBondContact O-N 2.78Å; C137-Y140 VanDerWaalsContact O-N 3.17Å; C137-S141 PolarHBondContact O-N 2.88Å; C137-Y142 CarbonylContact C-O 3.55Å; C137-Y142 PolarHBondContact O-N 3.24Å; C137-I144 HydrophobicContact CB-CG2 3.42Å; C137-I144 VanDerWaalsContact CB-CG2 3.42Å
138A98.4Very high97.5Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-59.5-33.8177.200000114V60 Q134 A136 P232 Y238V60-A138 HydrophobicContact CB-CB 3.98Å; V60-A138 HydrophobicContact CG1-CB 3.95Å; Q134-A138 PolarHBondContact O-N 3.29Å; A136-A138 PolarHBondContact O-N 2.97Å; A138-P232 VanDerWaalsContact O-CD 3.31Å; A138-P232 WeakPolarHBondContact O-CD 3.45Å; A138-P232 WeakPolarHBondContact O-CG 3.39Å; A138-Y238 HydrophobicContact CB-CD2 4.18Å; A138-Y238 HydrophobicContact CB-CE2 4.1Å
139A98.3Very high96.2Very high2 Ų27.8 Ų7.82%0.0174%0.044CC..Hα-helixtrans-81.9-16.6-179.100000113.9K61 I99 H135 A136 C137 K229 K230K61-A139 HydrophobicContact CB-CB 4.44Å; K61-A139 HydrophobicContact CD-CB 4.47Å; K61-A139 HydrophobicContact CG-CB 4.18Å; I99-A139 HydrophobicContact CG2-CB 4.17Å; H135-A139 WeakPolarHBondContact O-CB 3.26Å; H135-A139 PolarHBondContact O-N 3.29Å; A136-A139 PolarHBondContact O-N 2.87Å; C137-A139 VanDerWaalsContact C-N 3.28Å; C137-A139 PolarHBondContact O-N 3.19Å; A139-K229 HydrophobicContact CB-CD 4.03Å; A139-K229 HydrophobicContact CB-CG 4.21Å; A139-K229 WeakPolarHBondContact O-CB 3.21Å; A139-K230 CarbonylContact O-C 3.5Å; A139-K230 PolarHBondContact O-N 2.6Å; A139-K230 VanDerWaalsContact O-O 3.12Å
140Y97.8Very high94.9Very high2 Ų211.1 Ų11.11%0.0087%0.066CC..THydrogen-bonded Turntrans-121.720-177.2-70.6-101.9000112.5R100 G103 S104 S107 A136 C137 Y142 L227 P228 K229 K230R100-Y140 PolarHBondContact O-OH 2.83Å; G103-Y140 VanDerWaalsContact CA-CD2 3.43Å; G103-Y140 WeakPolarHBondContact O-CD1 3.2Å; S104-Y140 PolarHBondContact OG-OH 3.38Å; S107-Y140 WeakPolarHBondContact OG-CD1 3.47Å; A136-Y140 WeakPolarHBondContact O-CD2 3.23Å; A136-Y140 PolarHBondContact O-N 2.8Å; A136-Y140 VanDerWaalsContact O-N 3.09Å; C137-Y140 CarbonylContact O-C 3.59Å; C137-Y140 PolarHBondContact O-N 2.78Å; C137-Y140 VanDerWaalsContact O-N 3.17Å; Y140-Y142 PolarHBondContact O-N 3.39Å; Y140-L227 HydrophobicContact CE1-CB 4.43Å; Y140-L227 PolarHBondContact OH-O 2.8Å; Y140-P228 WeakPolarHBondContact CE1-O 3.46Å; Y140-K229 HydrophobicContact CE2-CG 3.89Å; Y140-K230 CarbonylContact C-O 3.55Å
141S97.1Very high93.6Very high20 Ų2012.5 Ų12.514%0.147%0.073CC..THydrogen-bonded Turntrans63.431.4174.3-55.40000115.4F112 C137 K230F112-S141 WeakPolarHBondContact CE2-O 3.37Å; C137-S141 PolarHBondContact O-N 2.88Å; S141-K230 PolarHBondContact N-O 3.06Å; S141-K230 PolarHBondContact OG-O 2.61Å
142Y98.2Very high92.3Very high2 Ų214.5 Ų14.51%0.0089%0.094CC..PPolyproline II helixtrans-96.3141.6168.5-65.4-83.8000110.7L106 S107 V110 F112 N118 I120 C137 Y140L106-Y142 HydrophobicContact CB-CD2 4.47Å; L106-Y142 HydrophobicContact CB-CE2 3.87Å; L106-Y142 HydrophobicContact CD1-CD2 4.43Å; L106-Y142 PolarHBondContact O-OH 3.13Å; S107-Y142 WeakPolarHBondContact CA-OH 3.37Å; V110-Y142 HydrophobicContact CB-CE1 4.13Å; V110-Y142 HydrophobicContact CG1-CE1 3.91Å; V110-Y142 PolarHBondContact O-OH 2.95Å; F112-Y142 HydrophobicContact CD2-CE1 4.11Å; N118-Y142 HydrophobicContact CB-CD1 3.98Å; N118-Y142 HydrophobicContact CB-CE1 4.48Å; N118-Y142 WeakPolarHBondContact O-CA 3.38Å; I120-Y142 HydrophobicContact CD1-CD1 3.67Å; I120-Y142 HydrophobicContact CD1-CD2 4.18Å; I120-Y142 HydrophobicContact CD1-CE1 4.26Å; I120-Y142 HydrophobicContact CD1-CG 3.62Å; I120-Y142 HydrophobicContact CG1-CD1 4.1Å; I120-Y142 HydrophobicContact CG1-CG 4.35Å; C137-Y142 CarbonylContact C-O 3.55Å; C137-Y142 PolarHBondContact O-N 3.24Å; Y140-Y142 PolarHBondContact O-N 3.39Å
143T98.5Very high91.5Very high6 Ų618.4 Ų18.44%0.03712%0.115CC..EExtended strand (participates in β ladder)trans-88.7129.2176.1-58.20000109.6E117 N118 V119 I120 L237 I240E117-T143 WeakPolarHBondContact O-CB 3.39Å; E117-T143 PolarHBondContact O-OG1 2.93Å; N118-T143 PolarHBondContact O-N 3.47Å; V119-T143 CarbonylContact C-O 3.6Å; V119-T143 WeakPolarHBondContact CA-O 3.45Å; V119-T143 HydrophobicContact CG1-CG2 4.26Å; I120-T143 PolarHBondContact N-O 3.16Å; T143-L237 HydrophobicContact CG2-CB 3.81Å; T143-L237 HydrophobicContact CG2-CD1 4.44Å; T143-L237 WeakPolarHBondContact OG1-CB 3.29Å; T143-L237 PolarHBondContact OG1-O 3.5Å; T143-I240 HydrophobicContact CG2-CD1 4.29Å; T143-I240 HydrophobicContact CG2-CG1 3.89Å
144I98.8Very high90.8Very high0 Ų026.1 Ų26.10%015%0.151CC..EExtended strand (participates in β ladder)trans-88.3144.9176.661.4166.1000112.5I120 I122 W130 Q134 C137 P146 Y238 M239 I240I120-I144 CarbonylContact O-C 3.57Å; I120-I144 WeakPolarHBondContact O-CA 3.46Å; I122-I144 HydrophobicContact CD1-CB 4.29Å; I122-I144 HydrophobicContact CD1-CD1 4.43Å; I122-I144 HydrophobicContact CD1-CG2 4.05Å; W130-I144 HydrophobicContact CH2-CD1 4.06Å; Q134-I144 HydrophobicContact CB-CD1 4.25Å; Q134-I144 HydrophobicContact CG-CD1 3.85Å; C137-I144 HydrophobicContact CB-CG2 3.42Å; C137-I144 VanDerWaalsContact CB-CG2 3.42Å; I144-P146 HydrophobicContact CD1-CG 4.15Å; I144-P146 HydrophobicContact CG1-CG 4.44Å; I144-Y238 HydrophobicContact CD1-CE2 4.37Å; I144-Y238 HydrophobicContact CG1-CE2 4.46Å; I144-Y238 WeakPolarHBondContact CG1-O 3.25Å; I144-Y238 PolarHBondContact N-O 3.14Å; I144-M239 HydrophobicContact CD1-CE 3.57Å; I144-M239 HydrophobicContact CG1-CB 4.05Å; I144-M239 HydrophobicContact CG1-CE 4.05Å; I144-M239 HydrophobicContact CG1-CG 4.1Å; I144-M239 VanDerWaalsContact O-CA 3.28Å; I144-M239 WeakPolarHBondContact O-CA 3.37Å; I144-I240 PolarHBondContact O-N 2.91Å
145V98.5Very high90Very high0 Ų026.9 Ų26.90%016%0.158CC..EExtended strand (participates in β ladder)trans-11993169.5-172.70000108.8V119 I120 G121 I122 L147 I159 T163 M165 I240 Y242V119-V145 HydrophobicContact CB-CG2 3.86Å; V119-V145 HydrophobicContact CG1-CG2 3.9Å; I120-V145 PolarHBondContact O-N 2.86Å; G121-V145 WeakPolarHBondContact CA-O 3.32Å; I122-V145 PolarHBondContact N-O 2.85Å; V145-L147 HydrophobicContact CG1-CD2 4.26Å; V145-L147 PolarHBondContact O-N 3.41Å; V145-I159 HydrophobicContact CG1-CG2 3.97Å; V145-T163 HydrophobicContact CG1-CG2 4.37Å; V145-T163 HydrophobicContact CG2-CG2 4.25Å; V145-M165 HydrophobicContact CB-CE 3.78Å; V145-M165 HydrophobicContact CG1-CE 3.7Å; V145-M165 HydrophobicContact CG2-CE 4.13Å; V145-I240 HydrophobicContact CG2-CB 4.27Å; V145-Y242 HydrophobicContact CG1-CD2 3.92Å; V145-Y242 HydrophobicContact CG1-CE2 3.86Å
146P97.5Very high89.5Confident4 Ų426.9 Ų26.93%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-66.8126.5176.9-23.736.1000112W130 I144 M239 P289W130-P146 HydrophobicContact CH2-CG 4.35Å; W130-P146 HydrophobicContact CZ2-CB 4.04Å; W130-P146 HydrophobicContact CZ2-CG 4.17Å; I144-P146 HydrophobicContact CD1-CG 4.15Å; I144-P146 HydrophobicContact CG1-CG 4.44Å; P146-M239 HydrophobicContact CG-CE 3.91Å; P146-M239 HydrophobicContact CG-CG 4.01Å; P146-M239 HydrophobicContact CG-SD 3.83Å; P146-P289 HydrophobicContact CB-CB 3.6Å; P146-P289 HydrophobicContact CB-CG 3.85Å
147L93.4Very high89.3Confident0 Ų029.1 Ų29.10%017%0.168CC..  trans-107.6125178.6-59.5173.4000109.5I122 Y123 V145 L151 M156 I159I122-L147 PolarHBondContact O-N 2.85Å; Y123-L147 HydrophobicContact CD2-CB 4.48Å; Y123-L147 HydrophobicContact CG-CB 4.4Å; V145-L147 HydrophobicContact CG1-CD2 4.26Å; V145-L147 PolarHBondContact O-N 3.41Å; L147-L151 HydrophobicContact CB-CD1 4.23Å; L147-L151 HydrophobicContact CD2-CD1 4.1Å; L147-M156 HydrophobicContact CB-CE 4.3Å; L147-M156 HydrophobicContact CD1-CE 4.38Å; L147-M156 HydrophobicContact CD1-SD 3.94Å; L147-M156 HydrophobicContact CD2-SD 4.12Å; L147-M156 HydrophobicContact CG-SD 4.45Å; L147-I159 HydrophobicContact CD2-CB 4.44Å; L147-I159 HydrophobicContact CD2-CD1 4.19Å; L147-I159 HydrophobicContact CD2-CG2 3.68Å
148Y83.8Confident89Confident36 Ų3631.2 Ų31.214%0.14118%0.178CC..  trans-71.8138.3175.1-63.5-105.2000110T150 L151 P287 P289 H290Y148-T150 PolarHBondContact O-N 3.23Å; Y148-T150 VanDerWaalsContact O-N 3.1Å; Y148-L151 HydrophobicContact CD2-CD2 4.36Å; Y148-L151 WeakPolarHBondContact O-CB 3.32Å; Y148-L151 WeakPolarHBondContact O-CG 3.34Å; Y148-L151 PolarHBondContact O-N 3.12Å; Y148-L151 VanDerWaalsContact O-N 3.08Å; Y148-P287 HydrophobicContact CD1-CB 4.16Å; Y148-P287 HydrophobicContact CE1-CB 4.08Å; Y148-P289 HydrophobicContact CD1-CB 3.92Å; Y148-P289 HydrophobicContact CD1-CG 4.37Å; Y148-P289 HydrophobicContact CD2-CB 3.66Å; Y148-P289 HydrophobicContact CD2-CG 4.5Å; Y148-P289 HydrophobicContact CE1-CB 3.83Å; Y148-P289 HydrophobicContact CE2-CB 3.54Å; Y148-P289 HydrophobicContact CG-CB 3.84Å; Y148-P289 HydrophobicContact CG-CG 4.3Å; Y148-P289 PolarHBondContact OH-O 3.03Å; Y148-H290 HydrophobicContact CE1-CB 4.19Å; Y148-H290 WeakPolarHBondContact OH-CA 3.43Å; Y148-H290 WeakPolarHBondContact OH-CB 3.33Å; Y148-H290 PolarHBondContact OH-N 2.97Å
149P71.2Confident88.9Confident63 Ų6331.2 Ų31.241%0.40918%0.178SC..THydrogen-bonded Turntrans-64.1-14.5171.9-22.633.3000115.6Y123Y123-P149 HydrophobicContact CE2-CB 4.11Å; Y123-P149 HydrophobicContact CE2-CG 4.43Å
150T71.6Confident88.8Confident93 Ų9331.2 Ų31.257%0.57118%0.177SC*.THydrogen-bonded Turntrans-101.410.4177.955.70000113.2Y148 G152Y148-T150 PolarHBondContact O-N 3.23Å; Y148-T150 VanDerWaalsContact O-N 3.1Å; T150-G152 PolarHBondContact O-N 2.96Å
151L70.7Confident88.7Confident28 Ų2834.2 Ų34.215%0.14720%0.198CC..  trans-61134.8170.8-74.5173.9000109.5L147 Y148 A155 M156 I159L147-L151 HydrophobicContact CB-CD1 4.23Å; L147-L151 HydrophobicContact CD2-CD1 4.1Å; Y148-L151 HydrophobicContact CD2-CD2 4.36Å; Y148-L151 WeakPolarHBondContact O-CB 3.32Å; Y148-L151 WeakPolarHBondContact O-CG 3.34Å; Y148-L151 PolarHBondContact O-N 3.12Å; Y148-L151 VanDerWaalsContact O-N 3.08Å; L151-A155 HydrophobicContact CD2-CB 4.26Å; L151-M156 HydrophobicContact CB-CE 4.28Å; L151-M156 HydrophobicContact CD1-CE 4.02Å; L151-M156 HydrophobicContact CD1-SD 4.37Å; L151-I159 HydrophobicContact CD1-CD1 3.71Å; L151-I159 HydrophobicContact CD2-CD1 4.43Å
152G71.7Confident88.7Confident44 Ų4434.7 Ų34.745%0.45420%0.199SC..  trans-73.6157.6168.900000111.5T150 E154 A155 M156T150-G152 PolarHBondContact O-N 2.96Å; G152-E154 PolarHBondContact O-N 2.91Å; G152-A155 WeakPolarHBondContact O-CB 3.49Å; G152-A155 PolarHBondContact O-N 3.45Å; G152-M156 PolarHBondContact O-N 3.08Å
153D83.2Confident88.6Confident85 Ų8535 Ų3546%0.45520%0.201SC..Hα-helixtrans-55.3-44.7-173.9-67.26.4000113.2A155 M156 Q157 H178 F183D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 2.94Å; D153-M156 PolarHBondContact O-N 2.88Å; D153-Q157 WeakPolarHBondContact O-CB 3.46Å; D153-Q157 PolarHBondContact O-N 3.35Å; D153-H178 IonicContact OD1-NE2 2.68Å; D153-F183 HydrophobicContact CB-CE1 3.77Å; D153-F183 HydrophobicContact CB-CZ 4.12Å; D153-F183 VanDerWaalsContact O-CE1 3.26Å; D153-F183 WeakPolarHBondContact O-CE1 3.41Å
154E82.7Confident88.5Confident162 Ų16240.3 Ų40.376%0.75723%0.225SC*.Hα-helixtrans-60.9-39.8177.5-66.1179.617500112.6G152 H158G152-E154 PolarHBondContact O-N 2.91Å; E154-H158 WeakPolarHBondContact O-CB 3.4Å; E154-H158 PolarHBondContact O-N 2.84Å
155A83.5Confident88.4Confident16 Ų1640.3 Ų40.313%0.13223%0.225CC..Hα-helixtrans-69-41.8177.700000111.2L151 G152 D153 H158 I159 P250L151-A155 HydrophobicContact CD2-CB 4.26Å; G152-A155 WeakPolarHBondContact O-CB 3.49Å; G152-A155 PolarHBondContact O-N 3.45Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 2.94Å; A155-H158 PolarHBondContact O-N 3.1Å; A155-I159 WeakPolarHBondContact O-CD1 3.28Å; A155-I159 VanDerWaalsContact O-CG1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.47Å; A155-I159 PolarHBondContact O-N 3.48Å; A155-I159 VanDerWaalsContact O-N 3.07Å; A155-P250 HydrophobicContact CB-CG 3.59Å
156M88.3Confident88.3Confident1 Ų141.3 Ų41.31%0.00523%0.23CC..Hα-helixtrans-62.4-49.6176.4-174.664.780.300111.1Y123 L147 L151 G152 D153 H158 I159 L160 L179 F183Y123-M156 HydrophobicContact CD1-CE 4.27Å; Y123-M156 HydrophobicContact CE1-CE 4.03Å; L147-M156 HydrophobicContact CB-CE 4.3Å; L147-M156 HydrophobicContact CD1-CE 4.38Å; L147-M156 HydrophobicContact CD1-SD 3.94Å; L147-M156 HydrophobicContact CD2-SD 4.12Å; L147-M156 HydrophobicContact CG-SD 4.45Å; L151-M156 HydrophobicContact CB-CE 4.28Å; L151-M156 HydrophobicContact CD1-CE 4.02Å; L151-M156 HydrophobicContact CD1-SD 4.37Å; G152-M156 PolarHBondContact O-N 3.08Å; D153-M156 PolarHBondContact O-N 2.88Å; M156-H158 VanDerWaalsContact C-N 3.31Å; M156-H158 PolarHBondContact O-N 3.37Å; M156-I159 PolarHBondContact O-N 3.31Å; M156-L160 HydrophobicContact CG-CD1 3.99Å; M156-L160 HydrophobicContact CG-CG 4.5Å; M156-L160 WeakPolarHBondContact O-CG 3.46Å; M156-L160 PolarHBondContact O-N 3.16Å; M156-L160 HydrophobicContact SD-CD1 4.48Å; M156-L179 HydrophobicContact CE-CD2 4.35Å; M156-L179 HydrophobicContact CG-CD2 4.18Å; M156-L179 HydrophobicContact SD-CD2 3.96Å; M156-F183 HydrophobicContact CB-CE1 3.96Å; M156-F183 HydrophobicContact CB-CE2 4.1Å; M156-F183 HydrophobicContact CB-CZ 3.74Å; M156-F183 HydrophobicContact CG-CD1 4.47Å; M156-F183 HydrophobicContact CG-CD2 3.83Å; M156-F183 HydrophobicContact CG-CE1 4.19Å; M156-F183 HydrophobicContact CG-CE2 3.53Å; M156-F183 HydrophobicContact CG-CG 4.31Å; M156-F183 HydrophobicContact CG-CZ 3.72Å
157Q94.1Very high88.4Confident48 Ų4841.1 Ų41.122%0.22423%0.229CC..Hα-helixtrans-57-45.7177-176.35868.100111.4D153 I159 L160 S161 F183 E184D153-Q157 WeakPolarHBondContact O-CB 3.46Å; D153-Q157 PolarHBondContact O-N 3.35Å; Q157-I159 PolarHBondContact O-N 3.08Å; Q157-L160 PolarHBondContact O-N 2.94Å; Q157-S161 PolarHBondContact NE2-OG 2.84Å; Q157-S161 WeakPolarHBondContact O-CB 3.45Å; Q157-S161 PolarHBondContact O-N 2.88Å; Q157-S161 PolarHBondContact O-OG 2.79Å; Q157-S161 VanDerWaalsContact O-OG 3.07Å; Q157-F183 HydrophobicContact CB-CD1 3.92Å; Q157-F183 HydrophobicContact CB-CE1 4.5Å; Q157-F183 VanDerWaalsContact OE1-CB 3.3Å; Q157-E184 PolarHBondContact NE2-O 2.79Å
158H92.7Very high88.6Confident44 Ų4441.1 Ų41.120%0.20423%0.229CC..Hα-helixtrans-58.5-45.1177.4174.460.3000112.6E154 A155 M156 S161 Q162 L249 P250E154-H158 WeakPolarHBondContact O-CB 3.4Å; E154-H158 PolarHBondContact O-N 2.84Å; A155-H158 PolarHBondContact O-N 3.1Å; M156-H158 VanDerWaalsContact C-N 3.31Å; M156-H158 PolarHBondContact O-N 3.37Å; H158-S161 PolarHBondContact O-N 3.46Å; H158-Q162 VanDerWaalsContact O-CB 3.26Å; H158-Q162 WeakPolarHBondContact O-CB 3.43Å; H158-Q162 PolarHBondContact O-N 2.96Å; H158-L249 HydrophobicContact CB-CD1 4.3Å; H158-L249 HydrophobicContact CB-CD2 4.01Å; H158-P250 PolarHBondContact CD2-O 3.41Å; H158-P250 PolarHBondContact NE2-O 3.41Å
159I94.5Very high89.3Confident0 Ų039.4 Ų39.40%022%0.222CC..Hα-helixtrans-64.6-48.4179.9-67163.6000110.7V145 L147 L151 A155 M156 Q157 S161 Q162 T163 M165 Y242V145-I159 HydrophobicContact CG1-CG2 3.97Å; L147-I159 HydrophobicContact CD2-CB 4.44Å; L147-I159 HydrophobicContact CD2-CD1 4.19Å; L147-I159 HydrophobicContact CD2-CG2 3.68Å; L151-I159 HydrophobicContact CD1-CD1 3.71Å; L151-I159 HydrophobicContact CD2-CD1 4.43Å; A155-I159 WeakPolarHBondContact O-CD1 3.28Å; A155-I159 VanDerWaalsContact O-CG1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.47Å; A155-I159 PolarHBondContact O-N 3.48Å; A155-I159 VanDerWaalsContact O-N 3.07Å; M156-I159 PolarHBondContact O-N 3.31Å; Q157-I159 PolarHBondContact O-N 3.08Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 2.8Å; I159-Q162 PolarHBondContact O-N 3.33Å; I159-T163 HydrophobicContact CG2-CG2 4.17Å; I159-T163 WeakPolarHBondContact O-CB 3.41Å; I159-T163 VanDerWaalsContact O-CG2 3.29Å; I159-T163 WeakPolarHBondContact O-CG2 3.39Å; I159-T163 PolarHBondContact O-N 3.18Å; I159-T163 PolarHBondContact O-OG1 3.01Å; I159-M165 HydrophobicContact CG2-CE 3.92Å; I159-Y242 HydrophobicContact CB-CE2 4.32Å; I159-Y242 HydrophobicContact CD1-CD1 4.12Å; I159-Y242 HydrophobicContact CD1-CD2 4.12Å; I159-Y242 HydrophobicContact CD1-CG 3.77Å; I159-Y242 HydrophobicContact CG1-CD1 3.6Å; I159-Y242 HydrophobicContact CG1-CD2 3.88Å; I159-Y242 HydrophobicContact CG1-CE1 3.74Å; I159-Y242 HydrophobicContact CG1-CE2 4.04Å; I159-Y242 HydrophobicContact CG1-CG 3.64Å; I159-Y242 HydrophobicContact CG2-CD2 3.88Å; I159-Y242 HydrophobicContact CG2-CE2 3.61Å
160L97.1Very high90.6Very high2 Ų236.4 Ų36.41%0.0120%0.203CC..Hα-helixtrans-57.3-47.5177.8-68.5168.9000111M156 Q157 T163 E164 M165 L179 F183M156-L160 HydrophobicContact CG-CD1 3.99Å; M156-L160 HydrophobicContact CG-CG 4.5Å; M156-L160 WeakPolarHBondContact O-CG 3.46Å; M156-L160 PolarHBondContact O-N 3.16Å; M156-L160 HydrophobicContact SD-CD1 4.48Å; Q157-L160 PolarHBondContact O-N 2.94Å; L160-T163 PolarHBondContact O-OG1 3.4Å; L160-E164 WeakPolarHBondContact O-CA 3.09Å; L160-E164 PolarHBondContact O-N 3.42Å; L160-M165 HydrophobicContact CD2-CG 4.08Å; L160-M165 HydrophobicContact CD2-SD 4.02Å; L160-L179 HydrophobicContact CD1-CD2 4.11Å; L160-F183 HydrophobicContact CD1-CB 3.61Å; L160-F183 HydrophobicContact CD1-CD2 4.01Å; L160-F183 HydrophobicContact CD1-CG 3.89Å
161S96.6Very high91.8Very high64 Ų6432.8 Ų32.845%0.44818%0.182SC..Hα-helixtrans-67-39.5178.6-61.80000113.7Q157 H158 I159 E164Q157-S161 PolarHBondContact NE2-OG 2.84Å; Q157-S161 WeakPolarHBondContact O-CB 3.45Å; Q157-S161 PolarHBondContact O-N 2.88Å; Q157-S161 PolarHBondContact O-OG 2.79Å; Q157-S161 VanDerWaalsContact O-OG 3.07Å; H158-S161 PolarHBondContact O-N 3.46Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 2.8Å; S161-E164 WeakPolarHBondContact O-CG 3.34Å
162Q96.2Very high93.1Very high31 Ų3132.3 Ų32.315%0.14518%0.181CC..Hα-helixtrans-73.8-42.1-176.7-168.5-176.84000111.8H158 I159 Y242 F487 K488H158-Q162 VanDerWaalsContact O-CB 3.26Å; H158-Q162 WeakPolarHBondContact O-CB 3.43Å; H158-Q162 PolarHBondContact O-N 2.96Å; I159-Q162 PolarHBondContact O-N 3.33Å; Q162-Y242 PolarHBondContact OE1-OH 3.1Å; Q162-F487 HydrophobicContact CG-CD1 4.1Å; Q162-F487 HydrophobicContact CG-CE1 4.18Å; Q162-F487 PolarHBondContact NE2-O 2.96Å; Q162-F487 WeakPolarHBondContact O-CE1 3.34Å; Q162-K488 HydrophobicContact CG-CB 4.39Å; Q162-K488 HydrophobicContact CG-CD 4.34Å; Q162-K488 WeakPolarHBondContact O-CD 3.39Å; Q162-K488 PolarHBondContact O-NZ 3.4Å
163T96.9Very high94.3Very high8 Ų830.2 Ų30.25%0.04916%0.16CC..Hα-helixtrans-77.3-25-18060.90000113.7V145 I159 L160 M165 Y242 F487V145-T163 HydrophobicContact CG1-CG2 4.37Å; V145-T163 HydrophobicContact CG2-CG2 4.25Å; I159-T163 HydrophobicContact CG2-CG2 4.17Å; I159-T163 WeakPolarHBondContact O-CB 3.41Å; I159-T163 VanDerWaalsContact O-CG2 3.29Å; I159-T163 WeakPolarHBondContact O-CG2 3.39Å; I159-T163 PolarHBondContact O-N 3.18Å; I159-T163 PolarHBondContact O-OG1 3.01Å; L160-T163 PolarHBondContact O-OG1 3.4Å; T163-M165 HydrophobicContact CG2-CE 4.03Å; T163-M165 PolarHBondContact O-N 3.28Å; T163-M165 VanDerWaalsContact O-N 3.11Å; T163-M165 WeakPolarHBondContact OG1-CE 3.48Å; T163-M165 PolarHBondContact OG1-N 3.39Å; T163-Y242 HydrophobicContact CG2-CE2 3.84Å; T163-Y242 VanDerWaalsContact CG2-OH 3.26Å; T163-Y242 WeakPolarHBondContact CG2-OH 3.2Å; T163-F487 HydrophobicContact CG2-CE1 4.19Å
164E96Very high95Very high117 Ų11734.9 Ų34.955%0.54717%0.171SC..  trans51.729.8-172.9-60162.3-141.700111.8L160 S161 N166 K488L160-E164 WeakPolarHBondContact O-CA 3.09Å; L160-E164 PolarHBondContact O-N 3.42Å; S161-E164 WeakPolarHBondContact O-CG 3.34Å; E164-N166 PolarHBondContact O-N 3.05Å; E164-K488 IonicContact OE1-NZ 3.6Å; E164-K488 PolarHBondContact OE1-NZ 3.14Å
165M96.8Very high95.6Very high1 Ų128.7 Ų28.71%0.00514%0.142CC..  trans-60.9135.3-177.169.2179.975.900110.9V119 V145 I159 L160 T163 V168 L187V119-M165 HydrophobicContact CB-CB 4.47Å; V119-M165 HydrophobicContact CG2-CB 3.62Å; V145-M165 HydrophobicContact CB-CE 3.78Å; V145-M165 HydrophobicContact CG1-CE 3.7Å; V145-M165 HydrophobicContact CG2-CE 4.13Å; I159-M165 HydrophobicContact CG2-CE 3.92Å; L160-M165 HydrophobicContact CD2-CG 4.08Å; L160-M165 HydrophobicContact CD2-SD 4.02Å; T163-M165 HydrophobicContact CG2-CE 4.03Å; T163-M165 PolarHBondContact O-N 3.28Å; T163-M165 VanDerWaalsContact O-N 3.11Å; T163-M165 WeakPolarHBondContact OG1-CE 3.48Å; T163-M165 PolarHBondContact OG1-N 3.39Å; M165-V168 HydrophobicContact CG-CG2 4.21Å; M165-V168 HydrophobicContact SD-CG2 3.52Å; M165-V168 VanDerWaalsContact SD-CG2 3.52Å; M165-L187 HydrophobicContact CG-CD2 4.21Å; M165-L187 WeakPolarHBondContact O-CD2 3.43Å
166N96Very high96.3Very high20 Ų2027.9 Ų27.911%0.10714%0.136CC..  trans-103.6-8.5179.371.7-14.3000113.7E164 S186 E188 I189E164-N166 PolarHBondContact O-N 3.05Å; N166-S186 WeakPolarHBondContact CA-O 3.46Å; N166-S186 WeakPolarHBondContact CB-O 3.5Å; N166-E188 HydrophobicContact CB-CB 4.24Å; N166-E188 HydrophobicContact CB-CG 4.19Å; N166-E188 PolarHBondContact ND2-OE2 2.88Å; N166-E188 PolarHBondContact O-N 3.35Å; N166-I189 PolarHBondContact O-N 2.99Å
167C98.5Very high96.7Very high0 Ų028.4 Ų28.40%014%0.138CC..EExtended strand (participates in β ladder)trans-132.8130.5-178.1-176.50000111.4V110 I120 G121 I189V110-C167 HydrophobicContact CG1-CB 4.39Å; V110-C167 HydrophobicContact CG2-CB 4.03Å; I120-C167 HydrophobicContact CG1-CB 4.39Å; G121-C167 PolarHBondContact N-O 3.1Å; C167-I189 WeakPolarHBondContact CA-O 3.31Å; C167-I189 HydrophobicContact CB-CB 4.14Å
168V98.6Very high96.8Very high0 Ų028.5 Ų28.50%014%0.139CC..EExtended strand (participates in β ladder)trans-134.8133.2175.31780000112G121 M165 L179 L187 I189 I191G121-V168 CarbonylContact O-C 3.07Å; G121-V168 WeakPolarHBondContact O-CA 3.42Å; M165-V168 HydrophobicContact CG-CG2 4.21Å; M165-V168 HydrophobicContact SD-CG2 3.52Å; M165-V168 VanDerWaalsContact SD-CG2 3.52Å; V168-L179 HydrophobicContact CB-CD1 4.24Å; V168-L179 HydrophobicContact CG1-CD1 3.77Å; V168-L179 HydrophobicContact CG2-CD1 4.45Å; V168-L187 HydrophobicContact CB-CD2 4.2Å; V168-L187 HydrophobicContact CG2-CD1 4.43Å; V168-L187 HydrophobicContact CG2-CD2 3.4Å; V168-I189 PolarHBondContact N-O 2.86Å; V168-I189 VanDerWaalsContact N-O 3.16Å; V168-I191 PolarHBondContact O-N 2.85Å
169L98.8Very high97Very high0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-83.3124.2163.6178.165.4000110.4G121 I122 Y123 M133 I191 I193 F215G121-L169 PolarHBondContact O-N 2.87Å; I122-L169 HydrophobicContact CG2-CB 4.32Å; I122-L169 HydrophobicContact CG2-CD2 4.01Å; I122-L169 HydrophobicContact CG2-CG 4.4Å; Y123-L169 PolarHBondContact N-O 3.38Å; M133-L169 HydrophobicContact CB-CD2 3.51Å; M133-L169 HydrophobicContact CE-CB 4.19Å; M133-L169 HydrophobicContact CE-CD1 4.15Å; M133-L169 HydrophobicContact CE-CD2 4.04Å; M133-L169 HydrophobicContact CE-CG 4.37Å; M133-L169 HydrophobicContact CG-CB 4.38Å; M133-L169 HydrophobicContact CG-CD2 3.63Å; L169-I191 CarbonylContact C-O 3.58Å; L169-I191 WeakPolarHBondContact CA-O 3.29Å; L169-I191 HydrophobicContact CD1-CB 3.95Å; L169-I191 HydrophobicContact CD1-CG2 3.61Å; L169-I193 HydrophobicContact CD1-CD1 4.16Å; L169-I193 HydrophobicContact CD1-CG1 3.74Å; L169-I193 HydrophobicContact CD2-CD1 4.23Å; L169-I193 HydrophobicContact CG-CD1 4.25Å; L169-I193 HydrophobicContact CG-CG1 4.37Å; L169-F215 HydrophobicContact CD1-CD2 3.82Å; L169-F215 HydrophobicContact CD1-CE2 4.42Å; L169-F215 HydrophobicContact CD2-CE2 4.48Å
170C98.5Very high97.1Very high0 Ų028 Ų280%014%0.137CC..EExtended strand (participates in β ladder)trans-113.2143.9177.9-66.70000111.3Y123 S172 E175 A176 I191 I192 I193Y123-C170 WeakPolarHBondContact O-CA 3.43Å; C170-S172 PolarHBondContact O-N 3.43Å; C170-E175 HydrophobicContact CB-CB 4.01Å; C170-A176 HydrophobicContact CB-CB 4.26Å; C170-I191 PolarHBondContact N-O 2.82Å; C170-I192 HydrophobicContact CB-CG1 4.32Å; C170-I192 WeakPolarHBondContact O-CA 3.33Å; C170-I193 PolarHBondContact O-N 2.9Å
171A96.5Very high97Very high17 Ų1731.1 Ų31.114%0.1415%0.154CC..SBendtrans-61.8-42.7175.500000112.8Y123 A124 P125 E175 I193 S194Y123-A171 PolarHBondContact O-N 3.2Å; Y123-A171 VanDerWaalsContact O-N 3.1Å; A124-A171 HydrophobicContact CB-CB 3.78Å; P125-A171 HydrophobicContact CG-CB 4.48Å; A171-E175 HydrophobicContact CB-CG 4.42Å; A171-I193 WeakPolarHBondContact O-CB 3.5Å; A171-S194 VanDerWaalsContact O-CB 3.31Å; A171-S194 WeakPolarHBondContact O-CB 3.42Å; A171-S194 PolarHBondContact O-N 3.4Å
172S97.7Very high96.9Very high18 Ų1834.6 Ų34.613%0.12616%0.161CC..SBendtrans-149.5178.1-179.574.20000111.5C170 R174 E175 A176 I192 D196C170-S172 PolarHBondContact O-N 3.43Å; S172-R174 PolarHBondContact O-N 2.91Å; S172-R174 VanDerWaalsContact OG-CB 3.29Å; S172-R174 WeakPolarHBondContact OG-CB 3.49Å; S172-R174 PolarHBondContact OG-N 3.14Å; S172-R174 VanDerWaalsContact OG-N 3.1Å; S172-E175 WeakPolarHBondContact CA-OE2 3.2Å; S172-E175 WeakPolarHBondContact CB-OE2 3.26Å; S172-E175 PolarHBondContact N-OE2 2.87Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-E175 PolarHBondContact OG-OE2 3.37Å; S172-A176 PolarHBondContact O-N 3.49Å; S172-I192 VanDerWaalsContact C-CG2 3.48Å; S172-D196 WeakPolarHBondContact CB-OD2 3.47Å
173G97.9Very high96.9Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-59.4-22.6170.800000113A176 L177 V202G173-A176 PolarHBondContact O-N 2.91Å; G173-L177 WeakPolarHBondContact O-CB 3.48Å; G173-L177 VanDerWaalsContact O-CG 3.25Å; G173-L177 WeakPolarHBondContact O-CG 3.2Å; G173-L177 PolarHBondContact O-N 3.26Å; G173-V202 WeakPolarHBondContact O-CG2 3.43Å
174R96.7Very high96.8Very high184 Ų18441.5 Ų41.569%0.69419%0.192SC*.Hα-helixtrans-63.7-49.5176.6-176.4-174175.8179.1-2.1112.2S172 A176 L177 H178S172-R174 PolarHBondContact O-N 2.91Å; S172-R174 VanDerWaalsContact OG-CB 3.29Å; S172-R174 WeakPolarHBondContact OG-CB 3.49Å; S172-R174 PolarHBondContact OG-N 3.14Å; S172-R174 VanDerWaalsContact OG-N 3.1Å; R174-A176 VanDerWaalsContact C-N 3.31Å; R174-L177 PolarHBondContact O-N 3.41Å; R174-H178 WeakPolarHBondContact O-CB 3.4Å; R174-H178 PolarHBondContact O-N 3.29Å
175E96.1Very high96.7Very high31 Ų3138 Ų3815%0.14518%0.181CC..Hα-helixtrans-65.6-38.3178.6-70.970.7-147.700110.9Y123 C170 A171 S172 H178 L179Y123-E175 HydrophobicContact CD1-CB 3.76Å; Y123-E175 HydrophobicContact CD1-CG 4.17Å; Y123-E175 HydrophobicContact CD2-CG 4.15Å; Y123-E175 HydrophobicContact CE1-CB 3.79Å; Y123-E175 HydrophobicContact CE1-CG 3.99Å; Y123-E175 HydrophobicContact CE2-CB 4.49Å; Y123-E175 HydrophobicContact CE2-CG 3.87Å; Y123-E175 HydrophobicContact CG-CB 4.2Å; Y123-E175 HydrophobicContact CG-CG 4.27Å; C170-E175 HydrophobicContact CB-CB 4.01Å; A171-E175 HydrophobicContact CB-CG 4.42Å; S172-E175 WeakPolarHBondContact CA-OE2 3.2Å; S172-E175 WeakPolarHBondContact CB-OE2 3.26Å; S172-E175 PolarHBondContact N-OE2 2.87Å; S172-E175 PolarHBondContact O-N 2.83Å; S172-E175 PolarHBondContact OG-OE2 3.37Å; E175-H178 WeakPolarHBondContact O-CB 3.37Å; E175-H178 PolarHBondContact O-N 2.95Å; E175-L179 WeakPolarHBondContact O-CG 3.39Å; E175-L179 PolarHBondContact O-N 3.22Å
176A97.8Very high96.6Very high0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-63.8-47.7175.600000112.6C170 S172 G173 R174 H178 L179 M180 L190 I192 V202C170-A176 HydrophobicContact CB-CB 4.26Å; S172-A176 PolarHBondContact O-N 3.49Å; G173-A176 PolarHBondContact O-N 2.91Å; R174-A176 VanDerWaalsContact C-N 3.31Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 2.95Å; A176-L179 PolarHBondContact O-N 3.47Å; A176-M180 WeakPolarHBondContact O-CG 3.38Å; A176-M180 PolarHBondContact O-N 3.15Å; A176-L190 HydrophobicContact CB-CD1 4.22Å; A176-I192 HydrophobicContact CB-CD1 3.75Å; A176-I192 HydrophobicContact CB-CG1 4.2Å; A176-V202 HydrophobicContact CB-CG1 4.19Å; A176-V202 HydrophobicContact CB-CG2 3.84Å
177L97.6Very high96.7Very high12 Ų1240.4 Ų40.46%0.06320%0.198CC..Hα-helixtrans-60.6-40.8173.4-71.4173000111.2G173 R174 L179 M180 D181 K198 E201 V202 Y206G173-L177 WeakPolarHBondContact O-CB 3.48Å; G173-L177 VanDerWaalsContact O-CG 3.25Å; G173-L177 WeakPolarHBondContact O-CG 3.2Å; G173-L177 PolarHBondContact O-N 3.26Å; R174-L177 PolarHBondContact O-N 3.41Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.07Å; L177-M180 PolarHBondContact O-N 3.04Å; L177-D181 WeakPolarHBondContact O-CB 3.49Å; L177-D181 PolarHBondContact O-N 3.37Å; L177-K198 HydrophobicContact CD1-CD 3.94Å; L177-E201 HydrophobicContact CD1-CB 4.42Å; L177-E201 HydrophobicContact CD1-CG 4.19Å; L177-E201 WeakPolarHBondContact CD1-OE1 3.3Å; L177-E201 HydrophobicContact CD2-CG 4.45Å; L177-V202 HydrophobicContact CD1-CG2 4.44Å; L177-V202 HydrophobicContact CD2-CB 4.48Å; L177-V202 HydrophobicContact CD2-CG2 3.71Å; L177-V202 HydrophobicContact CG-CG2 3.57Å; L177-Y206 HydrophobicContact CD2-CD2 4.29Å; L177-Y206 HydrophobicContact CD2-CE2 3.9Å
178H94.8Very high96.6Very high49 Ų4945.3 Ų45.323%0.22722%0.221CC..Hα-helixtrans-57.8-46.1176.5-178.1-150.5000111.1Y123 D153 R174 E175 A176 K182 F183Y123-H178 AromaticContact CE1-ND1 3.86Å; Y123-H178 AromaticContact CZ-ND1 3.85Å; Y123-H178 PolarHBondContact OH-ND1 2.92Å; D153-H178 IonicContact OD1-NE2 2.68Å; R174-H178 WeakPolarHBondContact O-CB 3.4Å; R174-H178 PolarHBondContact O-N 3.29Å; E175-H178 WeakPolarHBondContact O-CB 3.37Å; E175-H178 PolarHBondContact O-N 2.95Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 2.95Å; H178-K182 WeakPolarHBondContact O-CB 3.45Å; H178-K182 PolarHBondContact O-N 2.69Å; H178-F183 AromaticContact NE2-CE2 3.74Å; H178-F183 AromaticContact NE2-CZ 3.71Å
179L96.8Very high96.6Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-61.5-49.7177.5-72.1175.5000112.6Y123 M156 L160 V168 E175 A176 L177 F183 L187Y123-L179 HydrophobicContact CD1-CD1 3.89Å; Y123-L179 HydrophobicContact CD1-CD2 3.99Å; Y123-L179 HydrophobicContact CD1-CG 3.81Å; Y123-L179 HydrophobicContact CE1-CD2 4.21Å; Y123-L179 HydrophobicContact CE1-CG 4.11Å; M156-L179 HydrophobicContact CE-CD2 4.35Å; M156-L179 HydrophobicContact CG-CD2 4.18Å; M156-L179 HydrophobicContact SD-CD2 3.96Å; L160-L179 HydrophobicContact CD1-CD2 4.11Å; V168-L179 HydrophobicContact CB-CD1 4.24Å; V168-L179 HydrophobicContact CG1-CD1 3.77Å; V168-L179 HydrophobicContact CG2-CD1 4.45Å; E175-L179 WeakPolarHBondContact O-CG 3.39Å; E175-L179 PolarHBondContact O-N 3.22Å; A176-L179 PolarHBondContact O-N 3.47Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.07Å; L179-F183 HydrophobicContact CD2-CD2 4.2Å; L179-F183 HydrophobicContact CD2-CE2 4.48Å; L179-F183 PolarHBondContact O-N 3.04Å; L179-L187 HydrophobicContact CB-CD1 4.27Å; L179-L187 HydrophobicContact CD1-CD1 4.26Å
180M97Very high96.6Very high33 Ų3345.7 Ų45.716%0.16322%0.223CC..Hα-helixtrans-76.6-28.9-172.8-62.1-56.6-65.800114A176 L177 L187 L190 Y206 V210A176-M180 WeakPolarHBondContact O-CG 3.38Å; A176-M180 PolarHBondContact O-N 3.15Å; L177-M180 PolarHBondContact O-N 3.04Å; M180-L187 HydrophobicContact SD-CB 4.42Å; M180-L187 HydrophobicContact SD-CD1 4.17Å; M180-L190 HydrophobicContact CG-CD1 3.81Å; M180-L190 HydrophobicContact SD-CD1 4.04Å; M180-Y206 HydrophobicContact CB-CD1 4.22Å; M180-Y206 HydrophobicContact CB-CD2 3.88Å; M180-Y206 HydrophobicContact CB-CE1 4Å; M180-Y206 HydrophobicContact CB-CE2 3.6Å; M180-Y206 HydrophobicContact CB-CG 4.19Å; M180-Y206 HydrophobicContact CE-CD1 4.04Å; M180-Y206 HydrophobicContact CE-CG 4.35Å; M180-Y206 HydrophobicContact CG-CD2 4.18Å; M180-Y206 HydrophobicContact CG-CE2 4.4Å; M180-Y206 HydrophobicContact CG-CG 4.3Å; M180-V210 HydrophobicContact CE-CG1 3.75Å; M180-V210 HydrophobicContact CE-CG2 4.2Å; M180-V210 HydrophobicContact SD-CG1 4.5Å
181D96.3Very high96.6Very high69 Ų6945.7 Ų45.737%0.36922%0.223SC..Hα-helixtrans-84.8-29.2-177-69.49000112.5L177 R205 Y206L177-D181 WeakPolarHBondContact O-CB 3.49Å; L177-D181 PolarHBondContact O-N 3.37Å; D181-R205 IonicContact OD1-CZ 3.18Å; D181-R205 IonicContact OD1-NH1 2.83Å; D181-R205 IonicContact OD1-NH2 2.65Å; D181-R205 PolarHBondContact OD1-NH2 3.03Å; D181-R205 IonicContact OD2-CZ 3.72Å; D181-R205 IonicContact OD2-NH1 3.04Å; D181-R205 PolarHBondContact OD2-NH1 2.98Å; D181-R205 VanDerWaalsContact OD2-NH1 3.07Å; D181-R205 IonicContact OD2-NH2 2.65Å; D181-R205 PolarHBondContact OD2-NH2 3.3Å; D181-Y206 VanDerWaalsContact OD1-CE2 3.3Å; D181-Y206 WeakPolarHBondContact OD1-CE2 3.16Å; D181-Y206 VanDerWaalsContact OD1-CZ 3.23Å; D181-Y206 PolarHBondContact OD1-OH 3.33Å
182K94.4Very high96.7Very high137 Ų13744.9 Ų44.960%0.59622%0.216SC*.Hα-helixtrans-107.6-23-168.7-66-61.2-169169.70115H178H178-K182 WeakPolarHBondContact O-CB 3.45Å; H178-K182 PolarHBondContact O-N 2.69Å
183F96.1Very high96.7Very high18 Ų1845.8 Ų45.88%0.07922%0.219CC..  trans-126142.7-169.3-50.3-64.3000112.3D153 M156 Q157 L160 H178 L179D153-F183 HydrophobicContact CB-CE1 3.77Å; D153-F183 HydrophobicContact CB-CZ 4.12Å; D153-F183 VanDerWaalsContact O-CE1 3.26Å; D153-F183 WeakPolarHBondContact O-CE1 3.41Å; M156-F183 HydrophobicContact CB-CE1 3.96Å; M156-F183 HydrophobicContact CB-CE2 4.1Å; M156-F183 HydrophobicContact CB-CZ 3.74Å; M156-F183 HydrophobicContact CG-CD1 4.47Å; M156-F183 HydrophobicContact CG-CD2 3.83Å; M156-F183 HydrophobicContact CG-CE1 4.19Å; M156-F183 HydrophobicContact CG-CE2 3.53Å; M156-F183 HydrophobicContact CG-CG 4.31Å; M156-F183 HydrophobicContact CG-CZ 3.72Å; Q157-F183 HydrophobicContact CB-CD1 3.92Å; Q157-F183 HydrophobicContact CB-CE1 4.5Å; Q157-F183 VanDerWaalsContact OE1-CB 3.3Å; L160-F183 HydrophobicContact CD1-CB 3.61Å; L160-F183 HydrophobicContact CD1-CD2 4.01Å; L160-F183 HydrophobicContact CD1-CG 3.89Å; H178-F183 AromaticContact NE2-CE2 3.74Å; H178-F183 AromaticContact NE2-CZ 3.71Å; L179-F183 HydrophobicContact CD2-CD2 4.2Å; L179-F183 HydrophobicContact CD2-CE2 4.48Å; L179-F183 PolarHBondContact O-N 3.04Å
184E93.6Very high96.6Very high165 Ų16547.9 Ų47.977%0.77123%0.234SC*.  trans-77.9127.1163.7-66-177.617500108.2Q157Q157-E184 PolarHBondContact NE2-O 2.79Å
185S93.6Very high96.5Very high44 Ų4444.3 Ų44.331%0.30823%0.229SC..  trans-150.2162.5-176.367.10000112.2L187S185-L187 PolarHBondContact O-N 3.33Å; S185-L187 WeakPolarHBondContact OG-CD1 3.17Å; S185-L187 WeakPolarHBondContact OG-CG 3.35Å
186S95.2Very high96.3Very high60 Ų6045.3 Ų45.342%0.4224%0.235SC..  trans-88.417.8173.7-53.60000112.4N166 E188N166-S186 WeakPolarHBondContact CA-O 3.46Å; N166-S186 WeakPolarHBondContact CB-O 3.5Å; S186-E188 PolarHBondContact O-N 3Å
187L97.3Very high96.1Very high12 Ų1250.1 Ų50.16%0.06327%0.269CS..  trans-64.8126.3-176.3-65.5175.6000110.8M165 V168 L179 M180 S185 L190 V210M165-L187 HydrophobicContact CG-CD2 4.21Å; M165-L187 WeakPolarHBondContact O-CD2 3.43Å; V168-L187 HydrophobicContact CB-CD2 4.2Å; V168-L187 HydrophobicContact CG2-CD1 4.43Å; V168-L187 HydrophobicContact CG2-CD2 3.4Å; L179-L187 HydrophobicContact CB-CD1 4.27Å; L179-L187 HydrophobicContact CD1-CD1 4.26Å; M180-L187 HydrophobicContact SD-CB 4.42Å; M180-L187 HydrophobicContact SD-CD1 4.17Å; S185-L187 PolarHBondContact O-N 3.33Å; S185-L187 WeakPolarHBondContact OG-CD1 3.17Å; S185-L187 WeakPolarHBondContact OG-CG 3.35Å; L187-L190 HydrophobicContact CD1-CD2 4.21Å; L187-V210 WeakPolarHBondContact O-CG1 3.49Å
188E97.3Very high96.1Very high102 Ų10253.7 Ų53.748%0.47728%0.284SS..  trans-115.3-22.6175.3-67.1169167.300110.7N166 S186 V210 S211N166-E188 HydrophobicContact CB-CB 4.24Å; N166-E188 HydrophobicContact CB-CG 4.19Å; N166-E188 PolarHBondContact ND2-OE2 2.88Å; N166-E188 PolarHBondContact O-N 3.35Å; S186-E188 PolarHBondContact O-N 3Å; E188-V210 CarbonylContact O-C 3.58Å; E188-V210 WeakPolarHBondContact O-CA 3.17Å; E188-V210 WeakPolarHBondContact O-CB 3.29Å; E188-S211 PolarHBondContact O-N 3.02Å
189I98.4Very high96.2Very high8 Ų851.4 Ų51.44%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-136126.4-172.3-55.6164.8000110.4V109 V110 N166 C167 V168 I191 S211 Y213V109-I189 HydrophobicContact CG2-CD1 4.48Å; V109-I189 WeakPolarHBondContact O-CD1 3.23Å; V110-I189 HydrophobicContact CB-CD1 4.35Å; V110-I189 HydrophobicContact CG2-CD1 3.84Å; N166-I189 PolarHBondContact O-N 2.99Å; C167-I189 WeakPolarHBondContact CA-O 3.31Å; C167-I189 HydrophobicContact CB-CB 4.14Å; V168-I189 PolarHBondContact N-O 2.86Å; V168-I189 VanDerWaalsContact N-O 3.16Å; I189-I191 HydrophobicContact CG2-CG1 4.23Å; I189-S211 CarbonylContact C-O 3.43Å; I189-S211 WeakPolarHBondContact CA-O 3.25Å; I189-Y213 HydrophobicContact CG2-CD2 4.15Å; I189-Y213 HydrophobicContact CG2-CE2 4.24Å
190L98.5Very high96.2Very high0 Ų056.5 Ų56.50%030%0.297CS..EExtended strand (participates in β ladder)trans-116.2126.3170.7-65.3175.8000109.7A176 M180 L187 V202 V210 S211 I212 Y213A176-L190 HydrophobicContact CB-CD1 4.22Å; M180-L190 HydrophobicContact CG-CD1 3.81Å; M180-L190 HydrophobicContact SD-CD1 4.04Å; L187-L190 HydrophobicContact CD1-CD2 4.21Å; L190-V202 HydrophobicContact CD1-CG1 4.13Å; L190-V210 HydrophobicContact CD1-CG2 3.81Å; L190-V210 HydrophobicContact CG-CG2 4.16Å; L190-S211 PolarHBondContact N-O 2.9Å; L190-I212 HydrophobicContact CB-CG1 4.38Å; L190-I212 WeakPolarHBondContact O-CA 3.47Å; L190-Y213 PolarHBondContact O-N 3.14Å
191I98.6Very high96.2Very high0 Ų057.9 Ų57.90%030%0.303CS..EExtended strand (participates in β ladder)trans-110.8125.7172.9-55.5160.6000107.1L106 M133 V168 L169 C170 I189 Y213 F215 L218L106-I191 HydrophobicContact CD2-CD1 3.9Å; M133-I191 HydrophobicContact CE-CD1 3.75Å; M133-I191 HydrophobicContact CE-CG2 4.39Å; V168-I191 PolarHBondContact O-N 2.85Å; L169-I191 CarbonylContact C-O 3.58Å; L169-I191 WeakPolarHBondContact CA-O 3.29Å; L169-I191 HydrophobicContact CD1-CB 3.95Å; L169-I191 HydrophobicContact CD1-CG2 3.61Å; C170-I191 PolarHBondContact N-O 2.82Å; I189-I191 HydrophobicContact CG2-CG1 4.23Å; I191-Y213 CarbonylContact C-O 3.51Å; I191-Y213 WeakPolarHBondContact CA-O 3.48Å; I191-F215 HydrophobicContact CG2-CB 4.38Å; I191-F215 HydrophobicContact CG2-CD2 4.18Å; I191-L218 HydrophobicContact CD1-CD2 3.51Å; I191-L218 HydrophobicContact CG1-CD2 3.93Å; I191-L218 HydrophobicContact CG2-CD2 3.89Å
192I98.6Very high96.3Very high0 Ų054.6 Ų54.60%029%0.286CS..EExtended strand (participates in β ladder)trans-121.4128.2-173.1-59.7173.2000110.1C170 S172 A176 S194 F199 V202 I212 Y213 L214 F215C170-I192 HydrophobicContact CB-CG1 4.32Å; C170-I192 WeakPolarHBondContact O-CA 3.33Å; S172-I192 VanDerWaalsContact C-CG2 3.48Å; A176-I192 HydrophobicContact CB-CD1 3.75Å; A176-I192 HydrophobicContact CB-CG1 4.2Å; I192-S194 WeakPolarHBondContact CG2-O 3.38Å; I192-F199 HydrophobicContact CB-CD2 4.04Å; I192-F199 HydrophobicContact CB-CE2 4.4Å; I192-F199 HydrophobicContact CD1-CD2 3.78Å; I192-F199 HydrophobicContact CD1-CE2 4.25Å; I192-F199 HydrophobicContact CG1-CD2 4.47Å; I192-F199 HydrophobicContact CG2-CD2 4.11Å; I192-V202 HydrophobicContact CD1-CB 4.33Å; I192-V202 HydrophobicContact CD1-CG1 4.11Å; I192-V202 HydrophobicContact CD1-CG2 4.35Å; I192-I212 HydrophobicContact CD1-CG2 4.01Å; I192-Y213 PolarHBondContact N-O 2.98Å; I192-L214 CarbonylContact O-C 3.48Å; I192-L214 WeakPolarHBondContact O-CA 3.5Å; I192-F215 PolarHBondContact O-N 2.83Å
193I98.1Very high96.4Very high37 Ų3750.9 Ų50.919%0.1927%0.269CS..SBendtrans-75.3-54-178.7-61.3164.6000111.5A124 E129 L169 C170 A171 F215A124-I193 HydrophobicContact CB-CD1 4.33Å; E129-I193 HydrophobicContact CB-CD1 3.73Å; E129-I193 HydrophobicContact CB-CG1 4Å; E129-I193 HydrophobicContact CB-CG2 4.26Å; E129-I193 HydrophobicContact CG-CG1 4.45Å; E129-I193 HydrophobicContact CG-CG2 3.85Å; L169-I193 HydrophobicContact CD1-CD1 4.16Å; L169-I193 HydrophobicContact CD1-CG1 3.74Å; L169-I193 HydrophobicContact CD2-CD1 4.23Å; L169-I193 HydrophobicContact CG-CD1 4.25Å; L169-I193 HydrophobicContact CG-CG1 4.37Å; C170-I193 PolarHBondContact O-N 2.9Å; A171-I193 WeakPolarHBondContact O-CB 3.5Å; I193-F215 HydrophobicContact CG1-CB 4.33Å; I193-F215 HydrophobicContact CG1-CD2 4.4Å; I193-F215 HydrophobicContact CG1-CG 4.47Å
194S95.6Very high96.5Very high44 Ų4454.9 Ų54.931%0.30830%0.299SS..  trans-78.6125.7-176.3-177.10000112.1A171 I192 D196A171-S194 VanDerWaalsContact O-CB 3.31Å; A171-S194 WeakPolarHBondContact O-CB 3.42Å; A171-S194 PolarHBondContact O-N 3.4Å; I192-S194 WeakPolarHBondContact CG2-O 3.38Å; S194-D196 WeakPolarHBondContact CB-OD2 3.46Å; S194-D196 PolarHBondContact O-N 2.98Å; S194-D196 PolarHBondContact OG-OD2 3.04Å
195N95Very high96.7Very high110 Ų11051.8 Ų51.859%0.58828%0.281SS*.  trans-91.781.4168.1-173.513.5000109.9L214N195-L214 HydrophobicContact CB-CD1 4.04Å; N195-L214 HydrophobicContact CB-CD2 3.87Å
196D91.8Very high96.9Very high51 Ų5150.9 Ų50.927%0.27327%0.271SS..SBendtrans-119.9-178.5179.158.841000112S172 S194 K198 F199S172-D196 WeakPolarHBondContact CB-OD2 3.47Å; S194-D196 WeakPolarHBondContact CB-OD2 3.46Å; S194-D196 PolarHBondContact O-N 2.98Å; S194-D196 PolarHBondContact OG-OD2 3.04Å; D196-K198 PolarHBondContact O-N 2.76Å; D196-K198 VanDerWaalsContact O-N 3.14Å; D196-K198 WeakPolarHBondContact OD1-CA 3.33Å; D196-K198 VanDerWaalsContact OD1-CB 3.3Å; D196-K198 WeakPolarHBondContact OD1-CB 3.47Å; D196-K198 PolarHBondContact OD1-N 2.84Å; D196-F199 VanDerWaalsContact O-CB 3.31Å; D196-F199 WeakPolarHBondContact O-CB 3.45Å; D196-F199 PolarHBondContact O-N 2.93Å; D196-F199 PolarHBondContact OD1-N 2.78Å; D196-F199 VanDerWaalsContact OD1-N 3.14Å
197S93.6Very high96.9Very high102 Ų10251.7 Ų51.771%0.71328%0.276SS*.Hα-helixtrans-61.3-22.8-18057.60000113.9E201S197-E201 PolarHBondContact O-N 3.11Å
198K96.9Very high96.9Very high86 Ų8656.3 Ų56.337%0.37431%0.31SS..Hα-helixtrans-78.1-27176.5-65.9-62.1-172.9175.50111.9L177 D196 E201 V202L177-K198 HydrophobicContact CD1-CD 3.94Å; D196-K198 PolarHBondContact O-N 2.76Å; D196-K198 VanDerWaalsContact O-N 3.14Å; D196-K198 WeakPolarHBondContact OD1-CA 3.33Å; D196-K198 VanDerWaalsContact OD1-CB 3.3Å; D196-K198 WeakPolarHBondContact OD1-CB 3.47Å; D196-K198 PolarHBondContact OD1-N 2.84Å; K198-E201 VanDerWaalsContact CD-OE2 3.26Å; K198-E201 WeakPolarHBondContact CD-OE2 3.41Å; K198-E201 IonicContact NZ-OE1 3.59Å; K198-E201 IonicContact NZ-OE2 2.73Å; K198-E201 PolarHBondContact NZ-OE2 2.76Å; K198-E201 WeakPolarHBondContact O-CB 3.46Å; K198-E201 PolarHBondContact O-N 2.9Å; K198-V202 WeakPolarHBondContact O-CG2 3.38Å; K198-V202 PolarHBondContact O-N 3.36Å
199F97Very high96.8Very high1 Ų158.9 Ų58.90%0.00432%0.319CS..Hα-helixtrans-58.4-47.3171.7172.2-103.1000111.9I192 D196 E201 V202 K203 I212 L214I192-F199 HydrophobicContact CB-CD2 4.04Å; I192-F199 HydrophobicContact CB-CE2 4.4Å; I192-F199 HydrophobicContact CD1-CD2 3.78Å; I192-F199 HydrophobicContact CD1-CE2 4.25Å; I192-F199 HydrophobicContact CG1-CD2 4.47Å; I192-F199 HydrophobicContact CG2-CD2 4.11Å; D196-F199 VanDerWaalsContact O-CB 3.31Å; D196-F199 WeakPolarHBondContact O-CB 3.45Å; D196-F199 PolarHBondContact O-N 2.93Å; D196-F199 PolarHBondContact OD1-N 2.78Å; D196-F199 VanDerWaalsContact OD1-N 3.14Å; F199-E201 VanDerWaalsContact C-N 3.3Å; F199-E201 PolarHBondContact O-N 2.61Å; F199-V202 PolarHBondContact O-N 3.37Å; F199-K203 HydrophobicContact CE1-CD 3.67Å; F199-K203 HydrophobicContact CE1-CG 4.38Å; F199-K203 HydrophobicContact CE2-CD 4.48Å; F199-K203 HydrophobicContact CZ-CD 3.66Å; F199-K203 HydrophobicContact CZ-CG 4.17Å; F199-K203 VanDerWaalsContact CZ-NZ 3.29Å; F199-K203 PolarHBondContact O-N 2.62Å; F199-I212 HydrophobicContact CE2-CG2 3.79Å; F199-I212 HydrophobicContact CZ-CG2 4.47Å; F199-L214 HydrophobicContact CD1-CD2 4.02Å; F199-L214 HydrophobicContact CD1-CG 4.42Å; F199-L214 HydrophobicContact CD2-CD2 3.49Å; F199-L214 VanDerWaalsContact CD2-CD2 3.49Å; F199-L214 HydrophobicContact CD2-CG 4.22Å; F199-L214 HydrophobicContact CE1-CD1 3.96Å; F199-L214 HydrophobicContact CE1-CD2 3.91Å; F199-L214 HydrophobicContact CE1-CG 3.81Å; F199-L214 HydrophobicContact CE2-CD2 3.37Å; F199-L214 HydrophobicContact CE2-CG 3.59Å; F199-L214 HydrophobicContact CG-CD2 3.81Å; F199-L214 HydrophobicContact CZ-CD1 3.98Å; F199-L214 HydrophobicContact CZ-CD2 3.58Å; F199-L214 HydrophobicContact CZ-CG 3.34Å
200E96.8Very high96.7Very high108 Ų10858.8 Ų58.851%0.50532%0.319SS..Hα-helixtrans-63.7-35.8177.1-65.8-57.6149.300112.2K203 S204E200-K203 PolarHBondContact O-N 2.93Å; E200-S204 WeakPolarHBondContact O-CB 3.45Å; E200-S204 PolarHBondContact O-N 2.91Å
201E97.8Very high96.7Very high62 Ų6261.6 Ų61.629%0.2934%0.339SS..Hα-helixtrans-62.3-43.4173.7-169-175.3149.300111.9L177 S197 K198 F199 S204 R205L177-E201 HydrophobicContact CD1-CB 4.42Å; L177-E201 HydrophobicContact CD1-CG 4.19Å; L177-E201 WeakPolarHBondContact CD1-OE1 3.3Å; L177-E201 HydrophobicContact CD2-CG 4.45Å; S197-E201 PolarHBondContact O-N 3.11Å; K198-E201 VanDerWaalsContact CD-OE2 3.26Å; K198-E201 WeakPolarHBondContact CD-OE2 3.41Å; K198-E201 IonicContact NZ-OE1 3.59Å; K198-E201 IonicContact NZ-OE2 2.73Å; K198-E201 PolarHBondContact NZ-OE2 2.76Å; K198-E201 WeakPolarHBondContact O-CB 3.46Å; K198-E201 PolarHBondContact O-N 2.9Å; F199-E201 VanDerWaalsContact C-N 3.3Å; F199-E201 PolarHBondContact O-N 2.61Å; E201-S204 PolarHBondContact O-N 2.92Å; E201-R205 WeakPolarHBondContact O-CB 3.29Å; E201-R205 WeakPolarHBondContact O-CG 3.21Å; E201-R205 PolarHBondContact O-N 3.42Å; E201-R205 IonicContact OE1-NH1 2.88Å; E201-R205 PolarHBondContact OE1-NH1 3.17Å; E201-R205 VanDerWaalsContact OE1-NH1 3.12Å
202V97.8Very high96.7Very high0 Ų062.5 Ų62.50%034%0.344CS..Hα-helixtrans-61.2-46.7175.6179.10000110.6G173 A176 L177 L190 I192 K198 F199 S204 R205 Y206 I212G173-V202 WeakPolarHBondContact O-CG2 3.43Å; A176-V202 HydrophobicContact CB-CG1 4.19Å; A176-V202 HydrophobicContact CB-CG2 3.84Å; L177-V202 HydrophobicContact CD1-CG2 4.44Å; L177-V202 HydrophobicContact CD2-CB 4.48Å; L177-V202 HydrophobicContact CD2-CG2 3.71Å; L177-V202 HydrophobicContact CG-CG2 3.57Å; L190-V202 HydrophobicContact CD1-CG1 4.13Å; I192-V202 HydrophobicContact CD1-CB 4.33Å; I192-V202 HydrophobicContact CD1-CG1 4.11Å; I192-V202 HydrophobicContact CD1-CG2 4.35Å; K198-V202 WeakPolarHBondContact O-CG2 3.38Å; K198-V202 PolarHBondContact O-N 3.36Å; F199-V202 PolarHBondContact O-N 3.37Å; V202-S204 PolarHBondContact O-N 3.23Å; V202-R205 PolarHBondContact O-N 3.02Å; V202-Y206 WeakPolarHBondContact O-CB 3.39Å; V202-Y206 PolarHBondContact O-N 3.36Å; V202-I212 HydrophobicContact CG1-CD1 3.8Å; V202-I212 HydrophobicContact CG1-CG1 4.3Å
203K97.2Very high96.7Very high58 Ų5865.5 Ų65.525%0.25236%0.355SS..Hα-helixtrans-58-47.8176.7-86-172.1165.6170.50111.9F199 E200 R205 S207 I212 E217F199-K203 HydrophobicContact CE1-CD 3.67Å; F199-K203 HydrophobicContact CE1-CG 4.38Å; F199-K203 HydrophobicContact CE2-CD 4.48Å; F199-K203 HydrophobicContact CZ-CD 3.66Å; F199-K203 HydrophobicContact CZ-CG 4.17Å; F199-K203 VanDerWaalsContact CZ-NZ 3.29Å; F199-K203 PolarHBondContact O-N 2.62Å; E200-K203 PolarHBondContact O-N 2.93Å; K203-R205 VanDerWaalsContact C-N 3.33Å; K203-R205 PolarHBondContact O-N 2.88Å; K203-S207 WeakPolarHBondContact O-CB 3.45Å; K203-S207 PolarHBondContact O-N 3.37Å; K203-S207 PolarHBondContact O-OG 2.87Å; K203-I212 HydrophobicContact CG-CB 4.34Å; K203-I212 HydrophobicContact CG-CD1 4.27Å; K203-I212 HydrophobicContact CG-CG2 4.05Å; K203-E217 IonicContact NZ-OE1 3.38Å
204S97.1Very high96.7Very high102 Ų10264.6 Ų64.671%0.71335%0.351SS*.Hα-helixtrans-60.2-41.1179.2-178.30000112.7E200 E201 V202E200-S204 WeakPolarHBondContact O-CB 3.45Å; E200-S204 PolarHBondContact O-N 2.91Å; E201-S204 PolarHBondContact O-N 2.92Å; V202-S204 PolarHBondContact O-N 3.23Å
205R97.7Very high96.8Very high101 Ų10162.7 Ų62.738%0.38134%0.337SS..Hα-helixtrans-85.8-32.3-173.9-67.717465.5-173.6-7.7114.4D181 E201 V202 K203D181-R205 IonicContact OD1-CZ 3.18Å; D181-R205 IonicContact OD1-NH1 2.83Å; D181-R205 IonicContact OD1-NH2 2.65Å; D181-R205 PolarHBondContact OD1-NH2 3.03Å; D181-R205 IonicContact OD2-CZ 3.72Å; D181-R205 IonicContact OD2-NH1 3.04Å; D181-R205 PolarHBondContact OD2-NH1 2.98Å; D181-R205 VanDerWaalsContact OD2-NH1 3.07Å; D181-R205 IonicContact OD2-NH2 2.65Å; D181-R205 PolarHBondContact OD2-NH2 3.3Å; E201-R205 WeakPolarHBondContact O-CB 3.29Å; E201-R205 WeakPolarHBondContact O-CG 3.21Å; E201-R205 PolarHBondContact O-N 3.42Å; E201-R205 IonicContact OE1-NH1 2.88Å; E201-R205 PolarHBondContact OE1-NH1 3.17Å; E201-R205 VanDerWaalsContact OE1-NH1 3.12Å; V202-R205 PolarHBondContact O-N 3.02Å; K203-R205 VanDerWaalsContact C-N 3.33Å; K203-R205 PolarHBondContact O-N 2.88Å
206Y97.7Very high97Very high24 Ų2462 Ų629%0.09433%0.33CS..Hα-helixtrans-128.3-3.5-163.6-65.1-63.1000116.1L177 M180 D181 V202 S208 K209 V210L177-Y206 HydrophobicContact CD2-CD2 4.29Å; L177-Y206 HydrophobicContact CD2-CE2 3.9Å; M180-Y206 HydrophobicContact CB-CD1 4.22Å; M180-Y206 HydrophobicContact CB-CD2 3.88Å; M180-Y206 HydrophobicContact CB-CE1 4Å; M180-Y206 HydrophobicContact CB-CE2 3.6Å; M180-Y206 HydrophobicContact CB-CG 4.19Å; M180-Y206 HydrophobicContact CE-CD1 4.04Å; M180-Y206 HydrophobicContact CE-CG 4.35Å; M180-Y206 HydrophobicContact CG-CD2 4.18Å; M180-Y206 HydrophobicContact CG-CE2 4.4Å; M180-Y206 HydrophobicContact CG-CG 4.3Å; D181-Y206 VanDerWaalsContact OD1-CE2 3.3Å; D181-Y206 WeakPolarHBondContact OD1-CE2 3.16Å; D181-Y206 VanDerWaalsContact OD1-CZ 3.23Å; D181-Y206 PolarHBondContact OD1-OH 3.33Å; V202-Y206 WeakPolarHBondContact O-CB 3.39Å; V202-Y206 PolarHBondContact O-N 3.36Å; Y206-S208 PolarHBondContact O-N 2.89Å; Y206-S208 VanDerWaalsContact O-N 3.1Å; Y206-K209 HydrophobicContact CD1-CD 4.37Å; Y206-K209 PolarHBondContact O-N 2.93Å; Y206-V210 PolarHBondContact O-N 2.97Å
207S96.4Very high97.3Very high77 Ų7763.3 Ų63.354%0.53834%0.335SS..THydrogen-bonded Turntrans-60.5-20.5178.754.50000115K203 K209K203-S207 WeakPolarHBondContact O-CB 3.45Å; K203-S207 PolarHBondContact O-N 3.37Å; K203-S207 PolarHBondContact O-OG 2.87Å; S207-K209 VanDerWaalsContact C-N 3.34Å
208S96.4Very high97.5Very high109 Ų10958.4 Ų58.476%0.76230%0.301SS*.THydrogen-bonded Turntrans-80.2-14.1173.858.60000114Y206Y206-S208 PolarHBondContact O-N 2.89Å; Y206-S208 VanDerWaalsContact O-N 3.1Å
209K95.4Very high97.5Very high156 Ų15655.6 Ų55.668%0.67829%0.289SS*.THydrogen-bonded Turntrans-110-36.1-177.9-63.4-173.5-178-179.40112.6Y206 S207Y206-K209 HydrophobicContact CD1-CD 4.37Å; Y206-K209 PolarHBondContact O-N 2.93Å; S207-K209 VanDerWaalsContact C-N 3.34Å
210V97.5Very high97.6Very high7 Ų762 Ų624%0.04232%0.317CS..SBendtrans-137.4147.8-174.6-59.30000111.3M180 L187 E188 L190 Y206 I212M180-V210 HydrophobicContact CE-CG1 3.75Å; M180-V210 HydrophobicContact CE-CG2 4.2Å; M180-V210 HydrophobicContact SD-CG1 4.5Å; L187-V210 WeakPolarHBondContact O-CG1 3.49Å; E188-V210 CarbonylContact O-C 3.58Å; E188-V210 WeakPolarHBondContact O-CA 3.17Å; E188-V210 WeakPolarHBondContact O-CB 3.29Å; L190-V210 HydrophobicContact CD1-CG2 3.81Å; L190-V210 HydrophobicContact CG-CG2 4.16Å; Y206-V210 PolarHBondContact O-N 2.97Å; V210-I212 HydrophobicContact CG2-CD1 4.27Å; V210-I212 HydrophobicContact CG2-CG1 3.96Å
211S98.1Very high97.7Very high59 Ų5959.7 Ų59.741%0.41331%0.308SS..EExtended strand (participates in β ladder)trans-74.5127.5171.1-60.10000109.8E188 I189 L190E188-S211 PolarHBondContact O-N 3.02Å; I189-S211 CarbonylContact C-O 3.43Å; I189-S211 WeakPolarHBondContact CA-O 3.25Å; L190-S211 PolarHBondContact N-O 2.9Å
212I98.2Very high97.7Very high19 Ų1956.7 Ų56.710%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-120.4121.2-175.7-59.4156.8000109.5L190 I192 F199 V202 K203 V210L190-I212 HydrophobicContact CB-CG1 4.38Å; L190-I212 WeakPolarHBondContact O-CA 3.47Å; I192-I212 HydrophobicContact CD1-CG2 4.01Å; F199-I212 HydrophobicContact CE2-CG2 3.79Å; F199-I212 HydrophobicContact CZ-CG2 4.47Å; V202-I212 HydrophobicContact CG1-CD1 3.8Å; V202-I212 HydrophobicContact CG1-CG1 4.3Å; K203-I212 HydrophobicContact CG-CB 4.34Å; K203-I212 HydrophobicContact CG-CD1 4.27Å; K203-I212 HydrophobicContact CG-CG2 4.05Å; V210-I212 HydrophobicContact CG2-CD1 4.27Å; V210-I212 HydrophobicContact CG2-CG1 3.96Å
213Y98.2Very high97.7Very high62 Ų6262 Ų6224%0.24332%0.32CS..EExtended strand (participates in β ladder)trans-119.9138.6178.5-61.8-87.3000110.6V109 I189 L190 I191 I192 L218V109-Y213 HydrophobicContact CB-CE2 4.42Å; V109-Y213 HydrophobicContact CG1-CE2 4.36Å; I189-Y213 HydrophobicContact CG2-CD2 4.15Å; I189-Y213 HydrophobicContact CG2-CE2 4.24Å; L190-Y213 PolarHBondContact O-N 3.14Å; I191-Y213 CarbonylContact C-O 3.51Å; I191-Y213 WeakPolarHBondContact CA-O 3.48Å; I192-Y213 PolarHBondContact N-O 2.98Å; Y213-L218 HydrophobicContact CD1-CD1 4.5Å; Y213-L218 HydrophobicContact CG-CD1 4.33Å
214L98.4Very high97.7Very high18 Ų1865.8 Ų65.89%0.09434%0.343CS..EExtended strand (participates in β ladder)trans-68.1146.8154.8-70.3170.8000109.4I192 N195 F199 E216 E217 L218I192-L214 CarbonylContact O-C 3.48Å; I192-L214 WeakPolarHBondContact O-CA 3.5Å; N195-L214 HydrophobicContact CB-CD1 4.04Å; N195-L214 HydrophobicContact CB-CD2 3.87Å; F199-L214 HydrophobicContact CD1-CD2 4.02Å; F199-L214 HydrophobicContact CD1-CG 4.42Å; F199-L214 HydrophobicContact CD2-CD2 3.49Å; F199-L214 VanDerWaalsContact CD2-CD2 3.49Å; F199-L214 HydrophobicContact CD2-CG 4.22Å; F199-L214 HydrophobicContact CE1-CD1 3.96Å; F199-L214 HydrophobicContact CE1-CD2 3.91Å; F199-L214 HydrophobicContact CE1-CG 3.81Å; F199-L214 HydrophobicContact CE2-CD2 3.37Å; F199-L214 HydrophobicContact CE2-CG 3.59Å; F199-L214 HydrophobicContact CG-CD2 3.81Å; F199-L214 HydrophobicContact CZ-CD1 3.98Å; F199-L214 HydrophobicContact CZ-CD2 3.58Å; F199-L214 HydrophobicContact CZ-CG 3.34Å; L214-E216 PolarHBondContact O-N 3Å; L214-E217 HydrophobicContact CB-CB 4.17Å; L214-E217 HydrophobicContact CB-CG 3.89Å; L214-E217 HydrophobicContact CD1-CG 4.44Å; L214-E217 PolarHBondContact N-OE2 3.37Å; L214-E217 WeakPolarHBondContact O-CA 3.46Å; L214-E217 WeakPolarHBondContact O-CB 3.14Å; L214-E217 PolarHBondContact O-N 3.07Å; L214-L218 PolarHBondContact O-N 3.26Å
215F98.5Very high97.7Very high4 Ų466.6 Ų66.62%0.01834%0.335CS..Hα-helixtrans-54.8-39.1174.9-172.7-91.7000111.8I102 E129 I132 M133 L169 I191 I192 I193 L218 M219I102-F215 HydrophobicContact CD1-CD1 4.38Å; I102-F215 HydrophobicContact CD1-CD2 4.19Å; I102-F215 HydrophobicContact CD1-CE1 3.99Å; I102-F215 HydrophobicContact CD1-CE2 3.8Å; I102-F215 HydrophobicContact CD1-CG 4.47Å; I102-F215 HydrophobicContact CD1-CZ 3.69Å; I102-F215 HydrophobicContact CG1-CE1 4.31Å; I102-F215 HydrophobicContact CG1-CE2 4.21Å; I102-F215 HydrophobicContact CG1-CZ 3.8Å; E129-F215 HydrophobicContact CB-CD1 4.38Å; E129-F215 HydrophobicContact CB-CD2 4.49Å; E129-F215 HydrophobicContact CB-CE1 4.07Å; E129-F215 HydrophobicContact CB-CE2 4.16Å; E129-F215 HydrophobicContact CB-CZ 3.94Å; E129-F215 HydrophobicContact CG-CD1 4.05Å; E129-F215 HydrophobicContact CG-CE1 3.91Å; E129-F215 HydrophobicContact CG-CZ 4.32Å; I132-F215 HydrophobicContact CB-CZ 4.28Å; I132-F215 HydrophobicContact CG2-CZ 3.92Å; M133-F215 HydrophobicContact CE-CD2 4.45Å; M133-F215 HydrophobicContact CE-CE2 4.14Å; L169-F215 HydrophobicContact CD1-CD2 3.82Å; L169-F215 HydrophobicContact CD1-CE2 4.42Å; L169-F215 HydrophobicContact CD2-CE2 4.48Å; I191-F215 HydrophobicContact CG2-CB 4.38Å; I191-F215 HydrophobicContact CG2-CD2 4.18Å; I192-F215 PolarHBondContact O-N 2.83Å; I193-F215 HydrophobicContact CG1-CB 4.33Å; I193-F215 HydrophobicContact CG1-CD2 4.4Å; I193-F215 HydrophobicContact CG1-CG 4.47Å; F215-L218 PolarHBondContact O-N 3.09Å; F215-M219 WeakPolarHBondContact O-CB 3.38Å; F215-M219 PolarHBondContact O-N 2.82Å
216E98Very high97.7Very high97 Ų9765.7 Ų65.745%0.45334%0.338SS..Hα-helixtrans-67.7-35.2175-68.9-64.1145.500113.3L214 M219 K220L214-E216 PolarHBondContact O-N 3Å; E216-M219 VanDerWaalsContact CD-CE 3.45Å; E216-M219 WeakPolarHBondContact OE1-CE 3.17Å; E216-M219 WeakPolarHBondContact OE2-CE 3.23Å; E216-K220 WeakPolarHBondContact O-CG 3.42Å; E216-K220 PolarHBondContact O-N 2.97Å
217E97.9Very high97.7Very high77 Ų7767.2 Ų67.236%0.3635%0.347SS..Hα-helixtrans-67.5-44.1174.5-71.6170.1164.300110.4K203 L214 M219 K220 L221K203-E217 IonicContact NZ-OE1 3.38Å; L214-E217 HydrophobicContact CB-CB 4.17Å; L214-E217 HydrophobicContact CB-CG 3.89Å; L214-E217 HydrophobicContact CD1-CG 4.44Å; L214-E217 PolarHBondContact N-OE2 3.37Å; L214-E217 WeakPolarHBondContact O-CA 3.46Å; L214-E217 WeakPolarHBondContact O-CB 3.14Å; L214-E217 PolarHBondContact O-N 3.07Å; E217-M219 VanDerWaalsContact C-N 3.34Å; E217-M219 PolarHBondContact O-N 3.39Å; E217-K220 PolarHBondContact O-N 3.41Å; E217-L221 PolarHBondContact O-N 3.3Å
218L98Very high97.7Very high0 Ų069 Ų690%036%0.357CS..Hα-helixtrans-61.9-42.9176.4-169.472.9000111.3I102 A105 L106 V109 M133 I191 Y213 L214 F215 K220 L221 G222I102-L218 HydrophobicContact CD1-CB 4.4Å; I102-L218 HydrophobicContact CD1-CD2 4.11Å; I102-L218 HydrophobicContact CD1-CG 4.34Å; A105-L218 HydrophobicContact CB-CD1 3.66Å; A105-L218 HydrophobicContact CB-CG 3.67Å; A105-L218 WeakPolarHBondContact CB-O 3.19Å; L106-L218 HydrophobicContact CD2-CD2 4.37Å; V109-L218 HydrophobicContact CG1-CD1 4.4Å; V109-L218 HydrophobicContact CG2-CD1 3.99Å; M133-L218 HydrophobicContact CE-CD2 4.43Å; I191-L218 HydrophobicContact CD1-CD2 3.51Å; I191-L218 HydrophobicContact CG1-CD2 3.93Å; I191-L218 HydrophobicContact CG2-CD2 3.89Å; Y213-L218 HydrophobicContact CD1-CD1 4.5Å; Y213-L218 HydrophobicContact CG-CD1 4.33Å; L214-L218 PolarHBondContact O-N 3.26Å; F215-L218 PolarHBondContact O-N 3.09Å; L218-K220 PolarHBondContact O-N 2.99Å; L218-L221 HydrophobicContact CD1-CD2 4.46Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 3Å; L218-G222 PolarHBondContact O-N 3.47Å; L218-G222 VanDerWaalsContact O-N 3.11Å
219M98.3Very high97.7Very high26 Ų2666 Ų6613%0.12833%0.33CS..Hα-helixtrans-61.3-43.9175.9-171.8168.956.400111.8R98 A101 I102 F215 E216 E217 G222 M223R98-M219 HydrophobicContact CB-SD 4.08Å; R98-M219 HydrophobicContact CG-SD 3.55Å; R98-M219 VanDerWaalsContact CG-SD 3.55Å; A101-M219 HydrophobicContact CB-CG 3.8Å; I102-M219 HydrophobicContact CD1-CB 3.88Å; F215-M219 WeakPolarHBondContact O-CB 3.38Å; F215-M219 PolarHBondContact O-N 2.82Å; E216-M219 VanDerWaalsContact CD-CE 3.45Å; E216-M219 WeakPolarHBondContact OE1-CE 3.17Å; E216-M219 WeakPolarHBondContact OE2-CE 3.23Å; E217-M219 VanDerWaalsContact C-N 3.34Å; E217-M219 PolarHBondContact O-N 3.39Å; M219-G222 PolarHBondContact O-N 3.19Å; M219-M223 WeakPolarHBondContact O-CB 3.4Å; M219-M223 PolarHBondContact O-N 3.03Å
220K98.4Very high97.6Very high135 Ų13563 Ų6359%0.58732%0.317SS*.Hα-helixtrans-62.9-41.9175.4-72.9172.2-175.41760112.3E216 E217 L218 G222 M223 N224E216-K220 WeakPolarHBondContact O-CG 3.42Å; E216-K220 PolarHBondContact O-N 2.97Å; E217-K220 PolarHBondContact O-N 3.41Å; L218-K220 PolarHBondContact O-N 2.99Å; K220-G222 VanDerWaalsContact C-N 3.27Å; K220-G222 PolarHBondContact O-N 2.9Å; K220-M223 PolarHBondContact O-N 2.76Å; K220-N224 VanDerWaalsContact O-CG 3.24Å; K220-N224 PolarHBondContact O-N 2.87Å; K220-N224 PolarHBondContact O-ND2 2.84Å; K220-N224 PolarHBondContact O-OD1 2.86Å
221L98.2Very high97.3Very high60 Ų6066 Ų6631%0.31434%0.338SS..Hα-helixtrans-56.3-42.8176.4177.366.2000111.8A105 V109 E217 L218A105-L221 HydrophobicContact CB-CB 4.47Å; A105-L221 HydrophobicContact CB-CD2 4.41Å; V109-L221 HydrophobicContact CG1-CD2 3.57Å; E217-L221 PolarHBondContact O-N 3.3Å; L218-L221 HydrophobicContact CD1-CD2 4.46Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 3Å
222G98.2Very high97.1Very high0 Ų063.7 Ų63.70%032%0.322CS..Hα-helixtrans-71.4-39.9175.800000113.6A101 L218 M219 K220 N224 E225 L226A101-G222 VanDerWaalsContact O-CA 3.3Å; A101-G222 WeakPolarHBondContact O-CA 3.47Å; L218-G222 PolarHBondContact O-N 3.47Å; L218-G222 VanDerWaalsContact O-N 3.11Å; M219-G222 PolarHBondContact O-N 3.19Å; K220-G222 VanDerWaalsContact C-N 3.27Å; K220-G222 PolarHBondContact O-N 2.9Å; G222-N224 VanDerWaalsContact C-N 3.26Å; G222-N224 PolarHBondContact O-N 2.75Å; G222-E225 CarbonylContact O-C 3.59Å; G222-E225 PolarHBondContact O-N 2.91Å; G222-L226 WeakPolarHBondContact O-CD2 3.39Å; G222-L226 PolarHBondContact O-N 2.95Å
223M97.4Very high97.1Very high111 Ų11167.9 Ų67.955%0.54734%0.344SS..Hα-helixtrans-63.4-32179.2-165.367160.900112.8A101 M219 K220 E225A101-M223 HydrophobicContact CB-CB 4.5Å; M219-M223 WeakPolarHBondContact O-CB 3.4Å; M219-M223 PolarHBondContact O-N 3.03Å; K220-M223 PolarHBondContact O-N 2.76Å; M223-E225 PolarHBondContact O-N 3.32Å
224N97.3Very high97Very high138 Ų13866.5 Ų66.574%0.73834%0.343SS*.THydrogen-bonded Turntrans-63.3-27.1177.5-71.8-16.1000113K220 G222K220-N224 VanDerWaalsContact O-CG 3.24Å; K220-N224 PolarHBondContact O-N 2.87Å; K220-N224 PolarHBondContact O-ND2 2.84Å; K220-N224 PolarHBondContact O-OD1 2.86Å; G222-N224 VanDerWaalsContact C-N 3.26Å; G222-N224 PolarHBondContact O-N 2.75Å
225E97.1Very high97Very high119 Ų11969.2 Ų69.256%0.55636%0.36SS*.SBendtrans-157.5100.3175.6167.2-163-149.300108.6K108 G222 M223K108-E225 WeakPolarHBondContact CE-O 3.42Å; K108-E225 WeakPolarHBondContact CE-OE2 3.49Å; K108-E225 VanDerWaalsContact NZ-CB 3.27Å; K108-E225 PolarHBondContact NZ-O 3.43Å; K108-E225 IonicContact NZ-OE2 2.93Å; K108-E225 PolarHBondContact NZ-OE2 3.3Å; G222-E225 CarbonylContact O-C 3.59Å; G222-E225 PolarHBondContact O-N 2.91Å; M223-E225 PolarHBondContact O-N 3.32Å
226L98.1Very high96.9Very high82 Ų8272 Ų7243%0.42938%0.375SS..PPolyproline II helixtrans-76.3131.5179.4-64.7173.7000110.5R100 G222R100-L226 HydrophobicContact CB-CD2 4.21Å; G222-L226 WeakPolarHBondContact O-CD2 3.39Å; G222-L226 PolarHBondContact O-N 2.95Å
227L97.5Very high96.9Very high55 Ų5568.6 Ų68.629%0.28836%0.36SS..PPolyproline II helixtrans-100.7147.6173.8-61.9176.9000110.1S104 K108 Y140S104-L227 PolarHBondContact OG-N 2.65Å; S104-L227 PolarHBondContact OG-O 2.74Å; K108-L227 HydrophobicContact CG-CD1 4.15Å; Y140-L227 HydrophobicContact CE1-CB 4.43Å; Y140-L227 PolarHBondContact OH-O 2.8Å
228P96.7Very high96.9Very high114 Ų11465 Ų6574%0.7434%0.343SS*.PPolyproline II helixtrans-61.5144.4174.727-34.2000110.9Y140 K230Y140-P228 WeakPolarHBondContact CE1-O 3.46Å; P228-K230 PolarHBondContact O-N 3.08Å
229K96.5Very high96.9Very high46 Ų4665 Ų6520%0.234%0.343CS..PPolyproline II helixtrans-58.5127.3173.6-68.3180-176.7-179.50109.7K61 E65 D96 A139 Y140 S231K61-K229 HydrophobicContact CD-CD 4.36Å; E65-K229 WeakPolarHBondContact OE1-CD 3.12Å; E65-K229 IonicContact OE1-NZ 3.61Å; E65-K229 PolarHBondContact OE1-NZ 2.82Å; D96-K229 IonicContact OD1-NZ 2.92Å; D96-K229 PolarHBondContact OD1-NZ 3.22Å; A139-K229 HydrophobicContact CB-CD 4.03Å; A139-K229 HydrophobicContact CB-CG 4.21Å; A139-K229 WeakPolarHBondContact O-CB 3.21Å; Y140-K229 HydrophobicContact CE2-CG 3.89Å; K229-S231 PolarHBondContact O-N 3.08Å
230K92.9Very high96.9Very high95 Ų9563.7 Ų63.741%0.41334%0.337SS..  trans-90.491.9171.4-172.7-178.2179.2-174.40107.9F112 A139 Y140 S141 P228F112-K230 VanDerWaalsContact CD1-NZ 3.28Å; F112-K230 VanDerWaalsContact CZ-NZ 3.35Å; A139-K230 CarbonylContact O-C 3.5Å; A139-K230 PolarHBondContact O-N 2.6Å; A139-K230 VanDerWaalsContact O-O 3.12Å; Y140-K230 CarbonylContact C-O 3.55Å; S141-K230 PolarHBondContact N-O 3.06Å; S141-K230 PolarHBondContact OG-O 2.61Å; P228-K230 PolarHBondContact O-N 3.08Å
231S91Very high96.8Very high70 Ų7057.4 Ų57.449%0.4931%0.31SS..PPolyproline II helixtrans-68.2129.7-172-59.50000111.1K61 K229K61-S231 WeakPolarHBondContact CE-OG 3.28Å; K229-S231 PolarHBondContact O-N 3.08Å
232P95.2Very high96.5Very high10 Ų1055 Ų557%0.06530%0.296CS..PPolyproline II helixtrans-74.2159.5176.231.1-34.4000111.1T59 A138 D236 H257T59-P232 HydrophobicContact CG2-CG 4.1Å; T59-P232 WeakPolarHBondContact CG2-O 3.49Å; A138-P232 VanDerWaalsContact O-CD 3.31Å; A138-P232 WeakPolarHBondContact O-CD 3.45Å; A138-P232 WeakPolarHBondContact O-CG 3.39Å; P232-D236 HydrophobicContact CB-CB 4.2Å; P232-H257 VanDerWaalsContact CG-NE2 3.33Å; P232-H257 WeakPolarHBondContact CG-NE2 3.21Å
233L96.7Very high95.7Very high107 Ų10756 Ų5656%0.5630%0.303SS*.PPolyproline II helixtrans-73.7154.2164-59.9174.3000109.8T235 D236L233-T235 PolarHBondContact O-N 2.99Å; L233-T235 VanDerWaalsContact O-N 3.11Å; L233-D236 WeakPolarHBondContact CB-OD2 3.34Å; L233-D236 PolarHBondContact N-OD2 3.26Å; L233-D236 WeakPolarHBondContact O-CB 3.45Å; L233-D236 PolarHBondContact O-N 3.48Å; L233-D236 VanDerWaalsContact O-N 3.07Å
234P97.4Very high94.2Very high33 Ų3353.9 Ų53.921%0.21430%0.299CS..THydrogen-bonded Turntrans-57.4-28.6174.7-25.936.4000113.2Q58 T59 H257 K258Q58-P234 HydrophobicContact CB-CB 4.24Å; Q58-P234 HydrophobicContact CB-CG 3.61Å; T59-P234 HydrophobicContact CG2-CG 4.45Å; P234-H257 WeakPolarHBondContact O-CB 3.49Å; P234-H257 PolarHBondContact O-N 3.1Å; P234-K258 HydrophobicContact CB-CB 4.02Å; P234-K258 WeakPolarHBondContact O-CB 3.38Å; P234-K258 PolarHBondContact O-N 3.49Å
235T96.7Very high92Very high75 Ų7548.4 Ų48.446%0.4628%0.275SS..THydrogen-bonded Turntrans-84.2-10.4-179.147.20000114.6L233L233-T235 PolarHBondContact O-N 2.99Å; L233-T235 VanDerWaalsContact O-N 3.11Å
236D97.1Very high89.7Confident62 Ų6245.2 Ų45.233%0.33227%0.266SS..SBendtrans-71.4153.9179-63.2-13.3000110.1P232 L233 Y238 S256 H257P232-D236 HydrophobicContact CB-CB 4.2Å; L233-D236 WeakPolarHBondContact CB-OD2 3.34Å; L233-D236 PolarHBondContact N-OD2 3.26Å; L233-D236 WeakPolarHBondContact O-CB 3.45Å; L233-D236 PolarHBondContact O-N 3.48Å; L233-D236 VanDerWaalsContact O-N 3.07Å; D236-Y238 PolarHBondContact O-N 3.4Å; D236-S256 VanDerWaalsContact O-CA 3.27Å; D236-S256 WeakPolarHBondContact O-CA 3.35Å; D236-S256 WeakPolarHBondContact O-CB 3.39Å; D236-H257 PolarHBondContact O-N 3.48Å
237L97.9Very high87.3Confident25 Ų2546.2 Ų46.213%0.13128%0.275CS..EExtended strand (participates in β ladder)trans-65.8132.4176.3-65.6-171.7000110.3E117 T143 I240 L254E117-L237 HydrophobicContact CB-CD1 4.25Å; E117-L237 VanDerWaalsContact CD-CD1 3.49Å; E117-L237 HydrophobicContact CG-CD1 3.92Å; E117-L237 WeakPolarHBondContact OE2-CD1 3.19Å; T143-L237 HydrophobicContact CG2-CB 3.81Å; T143-L237 HydrophobicContact CG2-CD1 4.44Å; T143-L237 WeakPolarHBondContact OG1-CB 3.29Å; T143-L237 PolarHBondContact OG1-O 3.5Å; L237-I240 HydrophobicContact CD1-CD1 4.42Å; L237-I240 HydrophobicContact CD1-CG1 4.28Å; L237-L254 HydrophobicContact CD1-CD2 3.78Å; L237-L254 HydrophobicContact CD2-CB 3.99Å; L237-L254 HydrophobicContact CD2-CD2 4.06Å
238Y98.3Very high85.5Confident1 Ų146.2 Ų46.20%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-98.1-42.3169163-115.9000110.3V60 Q134 A138 I144 D236 I255 H257 V260 Q294 L298V60-Y238 HydrophobicContact CB-CD2 4.01Å; V60-Y238 HydrophobicContact CB-CE2 3.96Å; V60-Y238 HydrophobicContact CG1-CD2 4.28Å; V60-Y238 HydrophobicContact CG1-CE2 3.72Å; V60-Y238 HydrophobicContact CG2-CD1 4.06Å; V60-Y238 HydrophobicContact CG2-CD2 3.76Å; V60-Y238 HydrophobicContact CG2-CE1 4.15Å; V60-Y238 HydrophobicContact CG2-CE2 3.88Å; V60-Y238 HydrophobicContact CG2-CG 3.84Å; Q134-Y238 HydrophobicContact CG-CE2 4.35Å; Q134-Y238 WeakPolarHBondContact CG-OH 3.33Å; Q134-Y238 PolarHBondContact NE2-OH 3.39Å; A138-Y238 HydrophobicContact CB-CD2 4.18Å; A138-Y238 HydrophobicContact CB-CE2 4.1Å; I144-Y238 HydrophobicContact CD1-CE2 4.37Å; I144-Y238 HydrophobicContact CG1-CE2 4.46Å; I144-Y238 WeakPolarHBondContact CG1-O 3.25Å; I144-Y238 PolarHBondContact N-O 3.14Å; D236-Y238 PolarHBondContact O-N 3.4Å; Y238-I255 HydrophobicContact CD1-CG2 4.26Å; Y238-I255 PolarHBondContact N-O 3.01Å; Y238-H257 AromaticContact CD2-CE1 3.62Å; Y238-H257 AromaticContact CD2-ND1 3.98Å; Y238-V260 HydrophobicContact CD1-CG2 3.5Å; Y238-V260 VanDerWaalsContact CD1-CG2 3.5Å; Y238-V260 HydrophobicContact CE1-CG2 3.96Å; Y238-V260 HydrophobicContact CG-CG2 4.32Å; Y238-Q294 PolarHBondContact OH-OE1 3.26Å; Y238-L298 HydrophobicContact CE1-CD1 4.49Å
239M98.5Very high84.6Confident0 Ų045.2 Ų45.20%028%0.276CS..EExtended strand (participates in β ladder)trans-148.7143.2-172.2-178.7-175.7-63.800111.5I144 P146 I255 Q294I144-M239 HydrophobicContact CD1-CE 3.57Å; I144-M239 HydrophobicContact CG1-CB 4.05Å; I144-M239 HydrophobicContact CG1-CE 4.05Å; I144-M239 HydrophobicContact CG1-CG 4.1Å; I144-M239 VanDerWaalsContact O-CA 3.28Å; I144-M239 WeakPolarHBondContact O-CA 3.37Å; P146-M239 HydrophobicContact CG-CE 3.91Å; P146-M239 HydrophobicContact CG-CG 4.01Å; P146-M239 HydrophobicContact CG-SD 3.83Å; M239-I255 HydrophobicContact CB-CB 4.21Å; M239-I255 HydrophobicContact CB-CD1 4.46Å; M239-I255 HydrophobicContact CG-CD1 4.4Å; M239-I255 PolarHBondContact N-O 3.38Å; M239-I255 VanDerWaalsContact N-O 3.09Å; M239-I255 WeakPolarHBondContact O-CB 3.09Å; M239-I255 PolarHBondContact O-N 3.39Å; M239-I255 HydrophobicContact SD-CD1 4.1Å; M239-Q294 HydrophobicContact CE-CG 3.68Å; M239-Q294 VanDerWaalsContact CE-OE1 3.26Å; M239-Q294 HydrophobicContact SD-CG 4.32Å
240I98.4Very high84.1Confident0 Ų043.6 Ų43.60%027%0.271CS..EExtended strand (participates in β ladder)trans-107107.2160.9-55.8171.1000107.2V119 T143 I144 V145 L237 Y242 V253 L254 F487V119-I240 HydrophobicContact CG1-CD1 3.82Å; T143-I240 HydrophobicContact CG2-CD1 4.29Å; T143-I240 HydrophobicContact CG2-CG1 3.89Å; I144-I240 PolarHBondContact O-N 2.91Å; V145-I240 HydrophobicContact CG2-CB 4.27Å; L237-I240 HydrophobicContact CD1-CD1 4.42Å; L237-I240 HydrophobicContact CD1-CG1 4.28Å; I240-Y242 HydrophobicContact CG2-CD2 4.21Å; I240-Y242 HydrophobicContact CG2-CE2 3.71Å; I240-V253 WeakPolarHBondContact CA-O 3.16Å; I240-L254 HydrophobicContact CG1-CD2 4.28Å; I240-F487 HydrophobicContact CD1-CB 4.48Å; I240-F487 HydrophobicContact CD1-CD1 4.17Å; I240-F487 HydrophobicContact CD1-CD2 3.79Å; I240-F487 HydrophobicContact CD1-CE1 4.34Å; I240-F487 HydrophobicContact CD1-CE2 3.99Å; I240-F487 HydrophobicContact CD1-CG 3.88Å; I240-F487 HydrophobicContact CD1-CZ 4.24Å; I240-F487 HydrophobicContact CG2-CB 3.97Å; I240-F487 HydrophobicContact CG2-CG 4.33Å
241S96.5Very high84Confident3 Ų341.8 Ų41.82%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-98.6110.2-176.8-1740000110.7T243 V253S241-T243 PolarHBondContact O-N 3.22Å; S241-V253 PolarHBondContact N-O 2.94Å; S241-V253 WeakPolarHBondContact O-CB 3.4Å; S241-V253 PolarHBondContact O-N 2.57Å
242Y91.6Very high84.3Confident8 Ų838.5 Ų38.53%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-77.8122.8178.3-79.6-89.3000111.9V145 I159 Q162 T163 I240 P250 K251V145-Y242 HydrophobicContact CG1-CD2 3.92Å; V145-Y242 HydrophobicContact CG1-CE2 3.86Å; I159-Y242 HydrophobicContact CB-CE2 4.32Å; I159-Y242 HydrophobicContact CD1-CD1 4.12Å; I159-Y242 HydrophobicContact CD1-CD2 4.12Å; I159-Y242 HydrophobicContact CD1-CG 3.77Å; I159-Y242 HydrophobicContact CG1-CD1 3.6Å; I159-Y242 HydrophobicContact CG1-CD2 3.88Å; I159-Y242 HydrophobicContact CG1-CE1 3.74Å; I159-Y242 HydrophobicContact CG1-CE2 4.04Å; I159-Y242 HydrophobicContact CG1-CG 3.64Å; I159-Y242 HydrophobicContact CG2-CD2 3.88Å; I159-Y242 HydrophobicContact CG2-CE2 3.61Å; Q162-Y242 PolarHBondContact OE1-OH 3.1Å; T163-Y242 HydrophobicContact CG2-CE2 3.84Å; T163-Y242 VanDerWaalsContact CG2-OH 3.26Å; T163-Y242 WeakPolarHBondContact CG2-OH 3.2Å; I240-Y242 HydrophobicContact CG2-CD2 4.21Å; I240-Y242 HydrophobicContact CG2-CE2 3.71Å; Y242-P250 HydrophobicContact CD1-CB 3.92Å; Y242-K251 WeakPolarHBondContact CA-O 3.27Å
243T80.8Confident84.4Confident22 Ų2238 Ų3814%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-104.4140.9176.666.90000110.9S241 G245 P250 K251 V253 T427S241-T243 PolarHBondContact O-N 3.22Å; T243-G245 PolarHBondContact O-N 2.84Å; T243-G245 VanDerWaalsContact O-N 3.12Å; T243-P250 CarbonylContact O-C 3.52Å; T243-P250 WeakPolarHBondContact O-CA 3.21Å; T243-P250 VanDerWaalsContact O-CB 3.32Å; T243-P250 WeakPolarHBondContact O-CB 3.42Å; T243-K251 PolarHBondContact N-O 2.77Å; T243-K251 PolarHBondContact O-N 3.49Å; T243-K251 VanDerWaalsContact O-N 3.13Å; T243-V253 HydrophobicContact CG2-CG2 3.87Å; T243-T427 VanDerWaalsContact CG2-CB 3.45Å; T243-T427 HydrophobicContact CG2-CG2 3.62Å; T243-T427 VanDerWaalsContact CG2-OG1 3.25Å; T243-T427 WeakPolarHBondContact CG2-OG1 3.43Å
244S65.9Low84.5Confident66 Ų6634.4 Ų34.446%0.46222%0.218SC..  trans-71107.7171.4440000109.3
245G51.2Low84.5Confident23 Ų2332.8 Ų32.824%0.23721%0.208CC..  trans-64.6142.6167.500000110T243 T247T243-G245 PolarHBondContact O-N 2.84Å; T243-G245 VanDerWaalsContact O-N 3.12Å; G245-T247 PolarHBondContact O-N 3.14Å; G245-T247 VanDerWaalsContact O-N 3.14Å
246S48.6Very low84.6Confident52 Ų5229.5 Ų29.536%0.36419%0.187SC..THydrogen-bonded Turntrans-65.8-12.2175.354.80000113.7
247T48.6Very low84.6Confident103 Ų10326.6 Ų26.663%0.63217%0.172SC*.THydrogen-bonded Turntrans-138.48.7-164.845.40000114.9G245 N651G245-T247 PolarHBondContact O-N 3.14Å; G245-T247 VanDerWaalsContact O-N 3.14Å; T247-N651 HydrophobicContact CG2-CB 4.26Å; T247-N651 WeakPolarHBondContact CG2-ND2 3.38Å
248G59.9Low84.6Confident55 Ų5528.6 Ų28.657%0.56718%0.18SC*.SBendtrans-177.3-162.5-177.800000114.9
249L78Confident84.6Confident93 Ų9328.9 Ų28.949%0.48718%0.181SC..SBendtrans-58.8148.6175.2-65.4173.1000111H158H158-L249 HydrophobicContact CB-CD1 4.3Å; H158-L249 HydrophobicContact CB-CD2 4.01Å
250P84.9Confident84.5Confident13 Ų1329 Ų298%0.08418%0.182CC..PPolyproline II helixtrans-59.4139.9178.3-22.933000112.2A155 H158 Y242 T243A155-P250 HydrophobicContact CB-CG 3.59Å; H158-P250 PolarHBondContact CD2-O 3.41Å; H158-P250 PolarHBondContact NE2-O 3.41Å; Y242-P250 HydrophobicContact CD1-CB 3.92Å; T243-P250 CarbonylContact O-C 3.52Å; T243-P250 WeakPolarHBondContact O-CA 3.21Å; T243-P250 VanDerWaalsContact O-CB 3.32Å; T243-P250 WeakPolarHBondContact O-CB 3.42Å
251K91.5Very high84.5Confident56 Ų5629 Ų2924%0.24318%0.182CC..EExtended strand (participates in β ladder)trans-99130.6176.5-59.8177.9-69170.70109.9Y242 T243 V253 Y486 K492Y242-K251 WeakPolarHBondContact CA-O 3.27Å; T243-K251 PolarHBondContact N-O 2.77Å; T243-K251 PolarHBondContact O-N 3.49Å; T243-K251 VanDerWaalsContact O-N 3.13Å; K251-V253 PolarHBondContact O-N 2.89Å; K251-Y486 HydrophobicContact CB-CD1 3.68Å; K251-Y486 HydrophobicContact CB-CE1 3.9Å; K251-Y486 HydrophobicContact CB-CG 4.2Å; K251-Y486 HydrophobicContact CD-CD1 4.34Å; K251-Y486 HydrophobicContact CD-CD2 4.25Å; K251-Y486 HydrophobicContact CD-CE1 4.12Å; K251-Y486 HydrophobicContact CD-CE2 4.03Å; K251-Y486 HydrophobicContact CD-CG 4.4Å; K251-Y486 PolarHBondContact NZ-OH 3.1Å; K251-K492 HydrophobicContact CD-CB 4.29Å; K251-K492 HydrophobicContact CD-CG 4.27Å
252G95.9Very high84.4Confident1 Ų130.2 Ų30.21%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-80.8103.9176.400000111.4Y486 F487G252-Y486 CarbonylContact O-C 3.57Å; G252-Y486 VanDerWaalsContact O-CA 3.29Å; G252-Y486 WeakPolarHBondContact O-CA 3.5Å; G252-F487 PolarHBondContact O-N 2.95Å
253V97.7Very high84.7Confident0 Ų029.8 Ų29.80%019%0.185CC..EExtended strand (participates in β ladder)trans-73.4127.8175-179.80000109.4I240 S241 T243 K251 I255 T427 E428 Y486I240-V253 WeakPolarHBondContact CA-O 3.16Å; S241-V253 PolarHBondContact N-O 2.94Å; S241-V253 WeakPolarHBondContact O-CB 3.4Å; S241-V253 PolarHBondContact O-N 2.57Å; T243-V253 HydrophobicContact CG2-CG2 3.87Å; K251-V253 PolarHBondContact O-N 2.89Å; V253-I255 HydrophobicContact CG1-CG1 4.2Å; V253-T427 HydrophobicContact CB-CG2 3.88Å; V253-T427 HydrophobicContact CG1-CG2 4.14Å; V253-T427 HydrophobicContact CG2-CG2 3.79Å; V253-E428 HydrophobicContact CG1-CG 4.28Å; V253-E428 HydrophobicContact CG2-CG 3.97Å; V253-Y486 HydrophobicContact CG2-CD1 3.99Å; V253-Y486 HydrophobicContact CG2-CE1 3.69Å
254L98.3Very high85.5Confident31 Ų3128.8 Ų28.816%0.16218%0.179CC..EExtended strand (participates in β ladder)trans-76.9119.9175.2-61.9177.3000109.9L237 I240 S483 G485 F487L237-L254 HydrophobicContact CD1-CD2 3.78Å; L237-L254 HydrophobicContact CD2-CB 3.99Å; L237-L254 HydrophobicContact CD2-CD2 4.06Å; I240-L254 HydrophobicContact CG1-CD2 4.28Å; L254-S483 WeakPolarHBondContact O-CB 3.47Å; L254-S483 PolarHBondContact O-OG 3.08Å; L254-G485 PolarHBondContact N-O 2.92Å; L254-F487 HydrophobicContact CD2-CB 3.69Å; L254-F487 HydrophobicContact CD2-CD2 3.92Å; L254-F487 HydrophobicContact CD2-CG 4.25Å; L254-F487 HydrophobicContact CG-CB 4.4Å
255I98.5Very high86.9Confident0 Ų025.8 Ų25.80%016%0.158CC..EExtended strand (participates in β ladder)trans-119.7114.7177.5-63.9158.4000109.2Y238 M239 V253 E259 V260 I291 T427 M430Y238-I255 HydrophobicContact CD1-CG2 4.26Å; Y238-I255 PolarHBondContact N-O 3.01Å; M239-I255 HydrophobicContact CB-CB 4.21Å; M239-I255 HydrophobicContact CB-CD1 4.46Å; M239-I255 HydrophobicContact CG-CD1 4.4Å; M239-I255 PolarHBondContact N-O 3.38Å; M239-I255 VanDerWaalsContact N-O 3.09Å; M239-I255 WeakPolarHBondContact O-CB 3.09Å; M239-I255 PolarHBondContact O-N 3.39Å; M239-I255 HydrophobicContact SD-CD1 4.1Å; V253-I255 HydrophobicContact CG1-CG1 4.2Å; I255-E259 VanDerWaalsContact CA-OE2 3.3Å; I255-E259 WeakPolarHBondContact CA-OE2 3.4Å; I255-V260 HydrophobicContact CG2-CG2 3.61Å; I255-I291 HydrophobicContact CD1-CD1 3.57Å; I255-T427 HydrophobicContact CD1-CG2 4.46Å; I255-M430 HydrophobicContact CD1-SD 4.3Å; I255-M430 HydrophobicContact CG1-SD 4.34Å; I255-M430 HydrophobicContact CG2-CE 4.4Å; I255-M430 HydrophobicContact CG2-SD 3.46Å; I255-M430 WeakPolarHBondContact CG2-SD 3.34Å
256S98.3Very high89Confident5 Ų524.7 Ų24.74%0.03515%0.147CC..EExtended strand (participates in β ladder)trans-82.6160175.267.40000112.5D236 K258 E259 V260D236-S256 VanDerWaalsContact O-CA 3.27Å; D236-S256 WeakPolarHBondContact O-CA 3.35Å; D236-S256 WeakPolarHBondContact O-CB 3.39Å; S256-K258 PolarHBondContact O-N 2.96Å; S256-E259 WeakPolarHBondContact CB-OE1 3.35Å; S256-E259 PolarHBondContact N-OE1 2.92Å; S256-E259 PolarHBondContact N-OE2 3.47Å; S256-E259 PolarHBondContact O-N 3.02Å; S256-E259 WeakPolarHBondContact OG-CG 3.49Å; S256-E259 PolarHBondContact OG-N 3.34Å; S256-E259 PolarHBondContact OG-OE1 3.33Å; S256-V260 PolarHBondContact O-N 2.88Å
257H98.3Very high91.2Very high1 Ų123.5 Ų23.51%0.00514%0.136CC..Hα-helixtrans-53.9-40.7173.4-84.5-66.6000113.3T59 V60 P232 P234 D236 Y238 V260 T261T59-H257 HydrophobicContact CG2-CB 4.17Å; V60-H257 PolarHBondContact N-ND1 3.18Å; P232-H257 VanDerWaalsContact CG-NE2 3.33Å; P232-H257 WeakPolarHBondContact CG-NE2 3.21Å; P234-H257 WeakPolarHBondContact O-CB 3.49Å; P234-H257 PolarHBondContact O-N 3.1Å; D236-H257 PolarHBondContact O-N 3.48Å; Y238-H257 AromaticContact CD2-CE1 3.62Å; Y238-H257 AromaticContact CD2-ND1 3.98Å; H257-V260 PolarHBondContact O-N 2.92Å; H257-T261 PolarHBondContact O-N 3.27Å; H257-T261 VanDerWaalsContact O-N 3.15Å; H257-T261 PolarHBondContact O-OG1 2.88Å
258K96.9Very high93.5Very high67 Ų6718.7 Ų18.729%0.29111%0.107SC..Hα-helixtrans-62.6-43.2179.2-177.6-177.3174-167.20112.3P234 S256 V260 T261 H262 D480P234-K258 HydrophobicContact CB-CB 4.02Å; P234-K258 WeakPolarHBondContact O-CB 3.38Å; P234-K258 PolarHBondContact O-N 3.49Å; S256-K258 PolarHBondContact O-N 2.96Å; K258-V260 PolarHBondContact O-N 3.13Å; K258-T261 WeakPolarHBondContact CA-OG1 3.46Å; K258-T261 PolarHBondContact O-N 3.02Å; K258-T261 PolarHBondContact O-OG1 3.4Å; K258-H262 WeakPolarHBondContact CE-NE2 3.44Å; K258-H262 VanDerWaalsContact CG-CD2 3.45Å; K258-H262 WeakPolarHBondContact CG-CD2 3.48Å; K258-H262 WeakPolarHBondContact O-CB 3.03Å; K258-H262 PolarHBondContact O-CD2 3.19Å; K258-H262 VanDerWaalsContact O-CD2 3.23Å; K258-H262 PolarHBondContact O-N 2.88Å; K258-D480 WeakPolarHBondContact CE-OD1 3.34Å; K258-D480 IonicContact NZ-OD1 2.65Å; K258-D480 PolarHBondContact NZ-OD1 3.14Å
259E97.6Very high95.1Very high7 Ų716.1 Ų16.13%0.0338%0.08CC..Hα-helixtrans-59.7-40.3179.6-72.2152.6-132.900111.1I255 S256 T263 M430 D480I255-E259 VanDerWaalsContact CA-OE2 3.3Å; I255-E259 WeakPolarHBondContact CA-OE2 3.4Å; S256-E259 WeakPolarHBondContact CB-OE1 3.35Å; S256-E259 PolarHBondContact N-OE1 2.92Å; S256-E259 PolarHBondContact N-OE2 3.47Å; S256-E259 PolarHBondContact O-N 3.02Å; S256-E259 WeakPolarHBondContact OG-CG 3.49Å; S256-E259 PolarHBondContact OG-N 3.34Å; S256-E259 PolarHBondContact OG-OE1 3.33Å; E259-T263 VanDerWaalsContact O-CB 3.3Å; E259-T263 WeakPolarHBondContact O-CB 3.41Å; E259-T263 PolarHBondContact O-N 3.15Å; E259-T263 PolarHBondContact O-OG1 3.47Å; E259-M430 HydrophobicContact CB-CB 4.42Å; E259-D480 WeakPolarHBondContact CA-O 3.14Å; E259-D480 WeakPolarHBondContact CG-O 3.43Å
260V98Very high95.9Very high2 Ų212.1 Ų12.11%0.0126%0.06CC..Hα-helixtrans-66.3-49.1177.6-174.80000112.1V60 I63 Y238 I255 S256 H257 K258 T263 A264 L298 M430V60-V260 HydrophobicContact CG2-CB 3.85Å; V60-V260 HydrophobicContact CG2-CG1 3.71Å; V60-V260 HydrophobicContact CG2-CG2 4.14Å; I63-V260 HydrophobicContact CD1-CG1 4.15Å; Y238-V260 HydrophobicContact CD1-CG2 3.5Å; Y238-V260 VanDerWaalsContact CD1-CG2 3.5Å; Y238-V260 HydrophobicContact CE1-CG2 3.96Å; Y238-V260 HydrophobicContact CG-CG2 4.32Å; I255-V260 HydrophobicContact CG2-CG2 3.61Å; S256-V260 PolarHBondContact O-N 2.88Å; H257-V260 PolarHBondContact O-N 2.92Å; K258-V260 PolarHBondContact O-N 3.13Å; V260-T263 PolarHBondContact O-N 3.24Å; V260-A264 PolarHBondContact O-N 2.81Å; V260-L298 HydrophobicContact CG1-CD1 3.39Å; V260-M430 HydrophobicContact CB-CE 4.07Å; V260-M430 HydrophobicContact CG1-CE 3.96Å; V260-M430 HydrophobicContact CG2-CE 3.54Å; V260-M430 HydrophobicContact CG2-SD 3.87Å
261T97.1Very high96.4Very high1 Ų112.3 Ų12.31%0.0066%0.06CC..Hα-helixtrans-64.6-45.5-178.454.60000111.7V57 Q58 T59 I63 H257 K258 T263 A264 I265V57-T261 HydrophobicContact CG1-CG2 4.19Å; Q58-T261 VanDerWaalsContact C-CG2 3.42Å; Q58-T261 WeakPolarHBondContact O-CG2 3.29Å; Q58-T261 PolarHBondContact O-OG1 3.06Å; T59-T261 VanDerWaalsContact C-CG2 3.46Å; T59-T261 WeakPolarHBondContact O-CG2 3.45Å; I63-T261 HydrophobicContact CD1-CG2 3.91Å; I63-T261 HydrophobicContact CG1-CG2 3.96Å; H257-T261 PolarHBondContact O-N 3.27Å; H257-T261 VanDerWaalsContact O-N 3.15Å; H257-T261 PolarHBondContact O-OG1 2.88Å; K258-T261 WeakPolarHBondContact CA-OG1 3.46Å; K258-T261 PolarHBondContact O-N 3.02Å; K258-T261 PolarHBondContact O-OG1 3.4Å; T261-T263 VanDerWaalsContact C-N 3.33Å; T261-T263 PolarHBondContact O-N 2.77Å; T261-A264 PolarHBondContact O-N 2.88Å; T261-I265 WeakPolarHBondContact O-CB 3.43Å; T261-I265 VanDerWaalsContact O-CG1 3.31Å; T261-I265 WeakPolarHBondContact O-CG1 3.27Å; T261-I265 PolarHBondContact O-N 3.27Å
262H95.7Very high96.5Very high28 Ų2811 Ų1113%0.135%0.054CC..Hα-helixtrans-61.8-40.3176.5-82.5-112.3000111.8K258 S266 D480 Q481K258-H262 WeakPolarHBondContact CE-NE2 3.44Å; K258-H262 VanDerWaalsContact CG-CD2 3.45Å; K258-H262 WeakPolarHBondContact CG-CD2 3.48Å; K258-H262 WeakPolarHBondContact O-CB 3.03Å; K258-H262 PolarHBondContact O-CD2 3.19Å; K258-H262 VanDerWaalsContact O-CD2 3.23Å; K258-H262 PolarHBondContact O-N 2.88Å; H262-S266 WeakPolarHBondContact O-CB 3.39Å; H262-S266 PolarHBondContact O-N 3.11Å; H262-S266 PolarHBondContact O-OG 3.2Å; H262-D480 HydrophobicContact CB-CB 4.03Å; H262-D480 IonicContact CE1-OD2 2.84Å; H262-D480 PolarHBondContact CE1-OD2 3.3Å; H262-D480 WeakPolarHBondContact ND1-CB 3.47Å; H262-D480 IonicContact ND1-OD2 3.16Å; H262-D480 PolarHBondContact ND1-OD2 2.55Å; H262-Q481 HydrophobicContact CB-CG 4.26Å
263T97Very high96.3Very high0 Ų013.8 Ų13.80%07%0.067CC..Hα-helixtrans-64.4-48.8177-58.60000111.8E259 V260 T261 I265 S266 L267 I295 M430 Q481E259-T263 VanDerWaalsContact O-CB 3.3Å; E259-T263 WeakPolarHBondContact O-CB 3.41Å; E259-T263 PolarHBondContact O-N 3.15Å; E259-T263 PolarHBondContact O-OG1 3.47Å; V260-T263 PolarHBondContact O-N 3.24Å; T261-T263 VanDerWaalsContact C-N 3.33Å; T261-T263 PolarHBondContact O-N 2.77Å; T263-I265 PolarHBondContact O-N 3.12Å; T263-S266 PolarHBondContact O-N 3.15Å; T263-L267 HydrophobicContact CG2-CD1 4.36Å; T263-L267 WeakPolarHBondContact O-CG 3.45Å; T263-L267 PolarHBondContact O-N 2.93Å; T263-I295 HydrophobicContact CG2-CD1 4.22Å; T263-I295 HydrophobicContact CG2-CG1 4.18Å; T263-I295 HydrophobicContact CG2-CG2 3.95Å; T263-M430 HydrophobicContact CG2-CB 4.48Å; T263-M430 HydrophobicContact CG2-CG 4.07Å; T263-M430 WeakPolarHBondContact CG2-O 3.38Å; T263-M430 VanDerWaalsContact OG1-CB 3.31Å; T263-M430 WeakPolarHBondContact OG1-CB 3.5Å; T263-M430 WeakPolarHBondContact OG1-CG 3.35Å; T263-Q481 WeakPolarHBondContact OG1-CB 3.31Å; T263-Q481 WeakPolarHBondContact OG1-CG 3.3Å
264A96.7Very high96Very high1 Ų114.6 Ų14.61%0.0087%0.07CC..Hα-helixtrans-59.4-45.9179.700000111.6I63 V260 T261 L267 H268 L302I63-A264 HydrophobicContact CD1-CB 4.43Å; V260-A264 PolarHBondContact O-N 2.81Å; T261-A264 PolarHBondContact O-N 2.88Å; A264-L267 PolarHBondContact O-N 3.09Å; A264-H268 PolarHBondContact O-CD2 2.78Å; A264-H268 PolarHBondContact O-N 2.8Å; A264-L302 HydrophobicContact CB-CD2 4.21Å
265I95.7Very high95.8Very high2 Ų213.3 Ų13.31%0.016%0.063CC..Hα-helixtrans-62.7-46.4176.6-67.6165.8000110.6F51 E54 T261 T263 L267 H268 E269 L302F51-I265 HydrophobicContact CB-CG2 3.88Å; F51-I265 HydrophobicContact CD1-CD1 3.71Å; F51-I265 HydrophobicContact CD1-CG1 3.9Å; F51-I265 HydrophobicContact CD1-CG2 4.06Å; F51-I265 HydrophobicContact CE1-CD1 3.77Å; F51-I265 HydrophobicContact CE1-CG1 4.06Å; F51-I265 HydrophobicContact CG-CG1 4.46Å; F51-I265 HydrophobicContact CG-CG2 4.12Å; E54-I265 HydrophobicContact CG-CD1 4.15Å; T261-I265 WeakPolarHBondContact O-CB 3.43Å; T261-I265 VanDerWaalsContact O-CG1 3.31Å; T261-I265 WeakPolarHBondContact O-CG1 3.27Å; T261-I265 PolarHBondContact O-N 3.27Å; T263-I265 PolarHBondContact O-N 3.12Å; I265-L267 VanDerWaalsContact C-N 3.29Å; I265-L267 PolarHBondContact O-N 3.07Å; I265-H268 PolarHBondContact O-N 3.46Å; I265-H268 VanDerWaalsContact O-N 3.08Å; I265-E269 HydrophobicContact CG2-CG 4.34Å; I265-E269 WeakPolarHBondContact O-CG 3.44Å; I265-E269 PolarHBondContact O-N 2.9Å; I265-L302 HydrophobicContact CG1-CD2 4.26Å
266S95.6Very high95.7Very high0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-64.3-32.8-176.7-59.20000113.2H262 T263 S270 Y451 Q481H262-S266 WeakPolarHBondContact O-CB 3.39Å; H262-S266 PolarHBondContact O-N 3.11Å; H262-S266 PolarHBondContact O-OG 3.2Å; T263-S266 PolarHBondContact O-N 3.15Å; S266-S270 WeakPolarHBondContact O-CB 3.44Å; S266-S270 PolarHBondContact O-N 2.79Å; S266-S270 PolarHBondContact O-OG 2.65Å; S266-Y451 WeakPolarHBondContact CB-O 3.25Å; S266-Y451 PolarHBondContact OG-O 2.87Å; S266-Q481 PolarHBondContact OG-NE2 3.44Å; S266-Q481 VanDerWaalsContact OG-NE2 3.08Å
267L95.7Very high95.5Very high28 Ų2815 Ų1515%0.1477%0.072CC..Hα-helixtrans-65.8-46.9171.3-74.4173.9000111.5T263 A264 I265 E269 S270 I271 I295 L435 L450T263-L267 HydrophobicContact CG2-CD1 4.36Å; T263-L267 WeakPolarHBondContact O-CG 3.45Å; T263-L267 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.09Å; I265-L267 VanDerWaalsContact C-N 3.29Å; I265-L267 PolarHBondContact O-N 3.07Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 2.92Å; L267-S270 WeakPolarHBondContact O-CB 3.48Å; L267-S270 PolarHBondContact O-N 3.38Å; L267-S270 VanDerWaalsContact O-N 3.08Å; L267-I271 WeakPolarHBondContact O-CG1 3.47Å; L267-I271 PolarHBondContact O-N 3.11Å; L267-I295 HydrophobicContact CD1-CG2 3.13Å; L267-L435 HydrophobicContact CD2-CD2 3.99Å; L267-L450 HydrophobicContact CD2-CD1 4.03Å; L267-L450 HydrophobicContact CD2-CD2 4.19Å; L267-L450 HydrophobicContact CG-CD1 4.44Å
268H95.6Very high95.3Very high2 Ų216.9 Ų16.91%0.0099%0.086CC..Hα-helixtrans-61.7-38.6177-75.6-60.8000112.7A264 I265 S270 I271 E272 F273 S299 M303A264-H268 PolarHBondContact O-CD2 2.78Å; A264-H268 PolarHBondContact O-N 2.8Å; I265-H268 PolarHBondContact O-N 3.46Å; I265-H268 VanDerWaalsContact O-N 3.08Å; H268-S270 VanDerWaalsContact C-N 3.32Å; H268-S270 PolarHBondContact O-N 3.27Å; H268-I271 CarbonylContact O-C 3.34Å; H268-I271 WeakPolarHBondContact O-CG1 3.31Å; H268-I271 PolarHBondContact O-N 3.32Å; H268-E272 PolarHBondContact O-N 3.26Å; H268-F273 HydrophobicContact CB-CD1 3.81Å; H268-F273 HydrophobicContact CB-CD2 4.45Å; H268-F273 HydrophobicContact CB-CE1 3.43Å; H268-F273 VanDerWaalsContact CB-CE1 3.43Å; H268-F273 HydrophobicContact CB-CE2 4.13Å; H268-F273 HydrophobicContact CB-CG 4.3Å; H268-F273 HydrophobicContact CB-CZ 3.59Å; H268-F273 PolarHBondContact O-N 3.05Å; H268-S299 PolarHBondContact CE1-O 2.69Å; H268-S299 PolarHBondContact NE2-O 3.22Å; H268-M303 WeakPolarHBondContact CE1-CG 3.34Å; H268-M303 WeakPolarHBondContact NE2-CG 3.31Å
269E95.2Very high95.2Very high1 Ų118.6 Ų18.61%0.00510%0.098CC..Hα-helixtrans-59.7-43.4171.5-69.6-62.8169.300111.7I47 K49 K50 F51 I265 L267 I271 E272 F273I47-E269 HydrophobicContact CG2-CB 4.29Å; K49-E269 WeakPolarHBondContact CG-OE1 3.42Å; K50-E269 VanDerWaalsContact N-CD 3.28Å; K50-E269 PolarHBondContact N-OE1 3.28Å; K50-E269 PolarHBondContact N-OE2 2.63Å; F51-E269 WeakPolarHBondContact CB-OE1 3.49Å; F51-E269 PolarHBondContact N-OE1 3.02Å; I265-E269 HydrophobicContact CG2-CG 4.34Å; I265-E269 WeakPolarHBondContact O-CG 3.44Å; I265-E269 PolarHBondContact O-N 2.9Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 2.92Å; E269-I271 VanDerWaalsContact C-N 3.34Å; E269-I271 PolarHBondContact O-N 3.47Å; E269-E272 WeakPolarHBondContact O-CA 3.47Å; E269-E272 PolarHBondContact O-N 2.98Å; E269-F273 HydrophobicContact CG-CE2 4.27Å
270S94.8Very high95.2Very high9 Ų918.3 Ų18.36%0.06310%0.096CC..Hα-helixtrans-69.6-31-176.9-600000113.4S266 L267 H268 E272 L450S266-S270 WeakPolarHBondContact O-CB 3.44Å; S266-S270 PolarHBondContact O-N 2.79Å; S266-S270 PolarHBondContact O-OG 2.65Å; L267-S270 WeakPolarHBondContact O-CB 3.48Å; L267-S270 PolarHBondContact O-N 3.38Å; L267-S270 VanDerWaalsContact O-N 3.08Å; H268-S270 VanDerWaalsContact C-N 3.32Å; H268-S270 PolarHBondContact O-N 3.27Å; S270-E272 VanDerWaalsContact C-N 3.28Å; S270-L450 WeakPolarHBondContact OG-CD2 3.38Å
271I94.3Very high95.2Very high16 Ų1618.9 Ų18.98%0.08210%0.1CC..THydrogen-bonded Turntrans-90.17.3169.266163.6000112.9L267 H268 E269 F273 K274 F275 V276 F421 L435L267-I271 WeakPolarHBondContact O-CG1 3.47Å; L267-I271 PolarHBondContact O-N 3.11Å; H268-I271 CarbonylContact O-C 3.34Å; H268-I271 WeakPolarHBondContact O-CG1 3.31Å; H268-I271 PolarHBondContact O-N 3.32Å; E269-I271 VanDerWaalsContact C-N 3.34Å; E269-I271 PolarHBondContact O-N 3.47Å; I271-F273 PolarHBondContact O-N 2.85Å; I271-F273 VanDerWaalsContact O-N 3.16Å; I271-K274 WeakPolarHBondContact O-CB 3.27Å; I271-K274 PolarHBondContact O-N 3.46Å; I271-F275 HydrophobicContact CB-CD2 4.08Å; I271-F275 HydrophobicContact CD1-CB 3.93Å; I271-V276 HydrophobicContact CD1-CG2 3.98Å; I271-F421 HydrophobicContact CG2-CD1 4.18Å; I271-F421 HydrophobicContact CG2-CE1 3.91Å; I271-F421 HydrophobicContact CG2-CE2 4.36Å; I271-F421 HydrophobicContact CG2-CZ 4Å; I271-L435 HydrophobicContact CG2-CD2 3.73Å
272E93.2Very high95.2Very high29 Ų2918.9 Ų18.914%0.13610%0.1CC..THydrogen-bonded Turntrans51.534.5-179.9-57.9170.7-140.100113.9S26 H268 E269 S270 K274S26-E272 WeakPolarHBondContact CA-OE1 3.11Å; S26-E272 WeakPolarHBondContact CB-OE1 3.33Å; S26-E272 PolarHBondContact OG-OE1 2.82Å; H268-E272 PolarHBondContact O-N 3.26Å; E269-E272 WeakPolarHBondContact O-CA 3.47Å; E269-E272 PolarHBondContact O-N 2.98Å; S270-E272 VanDerWaalsContact C-N 3.28Å; E272-K274 HydrophobicContact CB-CD 4.14Å; E272-K274 HydrophobicContact CB-CG 4.36Å; E272-K274 PolarHBondContact O-N 3.3Å; E272-K274 VanDerWaalsContact O-N 3.12Å; E272-K274 IonicContact OE1-NZ 3.03Å; E272-K274 WeakPolarHBondContact OE2-CE 3.49Å; E272-K274 IonicContact OE2-NZ 3.99Å; E272-K274 PolarHBondContact OE2-NZ 3.45Å
273F92.4Very high95.3Very high60 Ų6017.5 Ų17.526%0.2639%0.094SC..THydrogen-bonded Turntrans54.823.8-175.7-65.5-94.6000114.4F51 H268 E269 I271 M303F51-F273 HydrophobicContact CB-CZ 3.94Å; F51-F273 AromaticContact CD2-CE1 3.99Å; F51-F273 HydrophobicContact CD2-CE1 3.99Å; F51-F273 AromaticContact CD2-CZ 3.79Å; F51-F273 HydrophobicContact CD2-CZ 3.79Å; F51-F273 HydrophobicContact CG-CZ 4.25Å; H268-F273 HydrophobicContact CB-CD1 3.81Å; H268-F273 HydrophobicContact CB-CD2 4.45Å; H268-F273 HydrophobicContact CB-CE1 3.43Å; H268-F273 VanDerWaalsContact CB-CE1 3.43Å; H268-F273 HydrophobicContact CB-CE2 4.13Å; H268-F273 HydrophobicContact CB-CG 4.3Å; H268-F273 HydrophobicContact CB-CZ 3.59Å; H268-F273 PolarHBondContact O-N 3.05Å; E269-F273 HydrophobicContact CG-CE2 4.27Å; I271-F273 PolarHBondContact O-N 2.85Å; I271-F273 VanDerWaalsContact O-N 3.16Å; F273-M303 HydrophobicContact CD1-CE 4.04Å; F273-M303 HydrophobicContact CD1-SD 4.27Å; F273-M303 HydrophobicContact CE1-SD 4.31Å
274K92.2Very high95.3Very high17 Ų1717.5 Ų17.57%0.0749%0.094CC..  trans-85-30.2-176.1-73.3167.1177.1167.40113.6Y12 F16 S23 F24 I271 E272 V438Y12-K274 HydrophobicContact CE2-CB 4.16Å; Y12-K274 WeakPolarHBondContact CE2-O 3.47Å; Y12-K274 VanDerWaalsContact CZ-O 3.3Å; Y12-K274 WeakPolarHBondContact OH-CB 3.37Å; Y12-K274 PolarHBondContact OH-O 3.09Å; F16-K274 WeakPolarHBondContact CD1-O 3.35Å; S23-K274 PolarHBondContact O-NZ 3.43Å; F24-K274 PolarHBondContact O-NZ 3.41Å; I271-K274 WeakPolarHBondContact O-CB 3.27Å; I271-K274 PolarHBondContact O-N 3.46Å; E272-K274 HydrophobicContact CB-CD 4.14Å; E272-K274 HydrophobicContact CB-CG 4.36Å; E272-K274 PolarHBondContact O-N 3.3Å; E272-K274 VanDerWaalsContact O-N 3.12Å; E272-K274 IonicContact OE1-NZ 3.03Å; E272-K274 WeakPolarHBondContact OE2-CE 3.49Å; E272-K274 IonicContact OE2-NZ 3.99Å; E272-K274 PolarHBondContact OE2-NZ 3.45Å; K274-V438 HydrophobicContact CD-CG1 4.19Å; K274-V438 HydrophobicContact CD-CG2 4.47Å
275F93.7Very high95.2Very high3 Ų318.3 Ų18.31%0.01310%0.096CC..SBendtrans-109.3-2-164.2-65.4-96.5000115.4Y12 F16 F24 I271 C397 P419 F421 V438Y12-F275 HydrophobicContact CD2-CD1 4.17Å; Y12-F275 HydrophobicContact CD2-CE1 4.01Å; Y12-F275 HydrophobicContact CE2-CD1 4.23Å; Y12-F275 HydrophobicContact CE2-CE1 4.2Å; Y12-F275 HydrophobicContact CE2-CZ 4.43Å; F16-F275 VanDerWaalsContact CZ-C 3.49Å; F16-F275 WeakPolarHBondContact CZ-O 3.35Å; F24-F275 HydrophobicContact CE2-CE1 4.15Å; F24-F275 HydrophobicContact CE2-CE2 4.35Å; F24-F275 AromaticContact CE2-CZ 3.57Å; F24-F275 HydrophobicContact CE2-CZ 3.57Å; F24-F275 HydrophobicContact CZ-CE1 4.11Å; F24-F275 AromaticContact CZ-CZ 3.57Å; F24-F275 HydrophobicContact CZ-CZ 3.57Å; I271-F275 HydrophobicContact CB-CD2 4.08Å; I271-F275 HydrophobicContact CD1-CB 3.93Å; F275-C397 HydrophobicContact CD1-CB 3.8Å; F275-C397 HydrophobicContact CE1-CB 4.01Å; F275-P419 HydrophobicContact CE1-CB 4.26Å; F275-P419 HydrophobicContact CE1-CG 4.34Å; F275-P419 HydrophobicContact CZ-CB 4.5Å; F275-F421 AromaticContact CD1-CE2 3.99Å; F275-F421 HydrophobicContact CD1-CE2 3.99Å; F275-F421 HydrophobicContact CD1-CZ 4.45Å; F275-F421 AromaticContact CD2-CE2 3.97Å; F275-F421 HydrophobicContact CD2-CE2 3.97Å; F275-F421 AromaticContact CD2-CZ 3.76Å; F275-F421 HydrophobicContact CD2-CZ 3.76Å; F275-F421 HydrophobicContact CE1-CE2 4.01Å; F275-F421 HydrophobicContact CE1-CZ 4.22Å; F275-F421 HydrophobicContact CE2-CE2 4.03Å; F275-F421 AromaticContact CE2-CZ 3.52Å; F275-F421 HydrophobicContact CE2-CZ 3.52Å; F275-F421 AromaticContact CG-CE2 3.95Å; F275-F421 HydrophobicContact CG-CE2 3.95Å; F275-F421 HydrophobicContact CG-CZ 4.22Å; F275-F421 HydrophobicContact CZ-CE2 4.02Å; F275-F421 AromaticContact CZ-CZ 3.74Å; F275-F421 HydrophobicContact CZ-CZ 3.74Å; F275-V438 HydrophobicContact CE2-CB 4.39Å; F275-V438 HydrophobicContact CE2-CG1 3.65Å; F275-V438 HydrophobicContact CE2-CG2 3.86Å; F275-V438 HydrophobicContact CZ-CG1 3.96Å
276V95Very high95Very high13 Ų1318.8 Ų18.88%0.07910%0.099CC..  trans-140.4133.1178-169.70000109.7I271 S280 M303I271-V276 HydrophobicContact CD1-CG2 3.98Å; V276-S280 WeakPolarHBondContact CA-OG 3.35Å; V276-M303 HydrophobicContact CB-CG 4.18Å; V276-M303 HydrophobicContact CG1-CB 3.77Å; V276-M303 HydrophobicContact CG1-CG 3.74Å
277N94.4Very high94.7Very high28 Ų2821.7 Ų21.715%0.1512%0.118CC..  trans-154.7-177.1175.966.911.5000109.4F16 N279 S280 M303 A305F16-N277 WeakPolarHBondContact CD1-ND2 3.21Å; F16-N277 HydrophobicContact CE1-CB 4.31Å; N277-N279 PolarHBondContact O-N 3.04Å; N277-N279 VanDerWaalsContact O-N 3.09Å; N277-N279 WeakPolarHBondContact OD1-CA 3.37Å; N277-N279 WeakPolarHBondContact OD1-CB 3.41Å; N277-N279 PolarHBondContact OD1-N 2.87Å; N277-S280 PolarHBondContact N-OG 2.91Å; N277-S280 WeakPolarHBondContact O-CB 3.23Å; N277-S280 PolarHBondContact O-N 3.17Å; N277-S280 PolarHBondContact O-OG 3.09Å; N277-S280 VanDerWaalsContact O-OG 3.09Å; N277-S280 PolarHBondContact OD1-N 2.74Å; N277-S280 VanDerWaalsContact OD1-N 3.16Å; N277-S280 PolarHBondContact OD1-OG 2.82Å; N277-S280 VanDerWaalsContact OD1-OG 3.04Å; N277-M303 CarbonylContact C-O 3.54Å; N277-A305 WeakPolarHBondContact O-CB 3.3Å
278S95.6Very high94.7Very high41 Ų4120.3 Ų20.329%0.28711%0.111SC..THydrogen-bonded Turntrans-63.7-15.3-179.954.20000115.7S71 M303 G304S71-S278 WeakPolarHBondContact OG-CB 3.35Å; S278-M303 VanDerWaalsContact CA-O 3.24Å; S278-M303 WeakPolarHBondContact CA-O 3.25Å; S278-M303 PolarHBondContact N-O 3.48Å; S278-G304 WeakPolarHBondContact CA-O 3.34Å
279N94.3Very high94.5Very high103 Ų10320.3 Ų20.355%0.55111%0.111SC*.THydrogen-bonded Turntrans-940175.1-66.2-52.4000113.1N277N277-N279 PolarHBondContact O-N 3.04Å; N277-N279 VanDerWaalsContact O-N 3.09Å; N277-N279 WeakPolarHBondContact OD1-CA 3.37Å; N277-N279 WeakPolarHBondContact OD1-CB 3.41Å; N277-N279 PolarHBondContact OD1-N 2.87Å
280S97Very high94.2Very high0 Ų022.2 Ų22.20%012%0.12CC..  trans-74.5149.1179.8-59.30000110.6F16 V276 N277 A305 S306 T327F16-S280 WeakPolarHBondContact CE1-OG 3.5Å; V276-S280 WeakPolarHBondContact CA-OG 3.35Å; N277-S280 PolarHBondContact N-OG 2.91Å; N277-S280 WeakPolarHBondContact O-CB 3.23Å; N277-S280 PolarHBondContact O-N 3.17Å; N277-S280 PolarHBondContact O-OG 3.09Å; N277-S280 VanDerWaalsContact O-OG 3.09Å; N277-S280 PolarHBondContact OD1-N 2.74Å; N277-S280 VanDerWaalsContact OD1-N 3.16Å; N277-S280 PolarHBondContact OD1-OG 2.82Å; N277-S280 VanDerWaalsContact OD1-OG 3.04Å; S280-A305 WeakPolarHBondContact O-CB 3.45Å; S280-S306 PolarHBondContact O-N 3.4Å; S280-T327 VanDerWaalsContact CA-OG1 3.29Å; S280-T327 WeakPolarHBondContact CA-OG1 3.41Å; S280-T327 WeakPolarHBondContact CB-OG1 3.5Å
281V97.8Very high94.2Very high15 Ų1522 Ų229%0.09112%0.118CC..EExtended strand (participates in β ladder)trans-130.2116.6-179.5-178.10000108.1S306 L324 P326 T327V281-S306 CarbonylContact C-O 3.48Å; V281-S306 WeakPolarHBondContact CA-O 3.48Å; V281-L324 HydrophobicContact CG1-CD1 3.62Å; V281-L324 HydrophobicContact CG1-CD2 4.25Å; V281-L324 HydrophobicContact CG1-CG 3.69Å; V281-P326 CarbonylContact O-C 3.42Å; V281-P326 WeakPolarHBondContact O-CA 3.5Å; V281-P326 VanDerWaalsContact O-CB 3.32Å; V281-P326 WeakPolarHBondContact O-CB 3.31Å; V281-T327 PolarHBondContact N-OG1 2.96Å; V281-T327 PolarHBondContact O-N 2.93Å; V281-T327 PolarHBondContact O-OG1 3.07Å
282H98Very high94Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-98.1147.4175.2175.351000110.5E293 H300 S306 S307 G308H282-E293 IonicContact CD2-OE1 2.93Å; H282-E293 IonicContact CE1-OE1 3.3Å; H282-E293 IonicContact CE1-OE2 3.56Å; H282-E293 IonicContact NE2-OE1 3.26Å; H282-E293 PolarHBondContact NE2-OE1 3.12Å; H282-E293 IonicContact NE2-OE2 3.82Å; H282-H300 HydrophobicContact CB-CB 4.36Å; H282-H300 AromaticContact CG-CE1 3.97Å; H282-H300 AromaticContact CG-ND1 3.87Å; H282-S306 PolarHBondContact N-O 3.48Å; H282-S307 WeakPolarHBondContact O-CA 3.22Å; H282-G308 PolarHBondContact O-N 2.98Å
283L97.8Very high94.1Very high0 Ų021.2 Ų21.20%011%0.114CC..EExtended strand (participates in β ladder)trans-107.4110.4168.2178.462.9000108.7Y285 L310 L317 I321 L324 L329L283-Y285 HydrophobicContact CD2-CD1 4.18Å; L283-Y285 HydrophobicContact CG-CD1 4.12Å; L283-Y285 PolarHBondContact O-N 2.9Å; L283-L310 HydrophobicContact CD1-CD2 4.34Å; L283-L310 HydrophobicContact CD2-CD2 4.47Å; L283-L317 HydrophobicContact CD2-CD1 3.64Å; L283-I321 HydrophobicContact CD2-CD1 4.24Å; L283-I321 HydrophobicContact CD2-CG1 3.39Å; L283-L324 HydrophobicContact CB-CD2 3.73Å; L283-L324 HydrophobicContact CD1-CD2 3.5Å; L283-L324 HydrophobicContact CG-CD2 4.14Å; L283-L329 HydrophobicContact CB-CD1 4.28Å; L283-L329 HydrophobicContact CD2-CD1 4.43Å
284S97.4Very high94.4Very high0 Ų018.3 Ų18.30%010%0.101CC..EExtended strand (participates in β ladder)trans-82.596.5173.5-170.80000110.1N126 E293 G308N126-S284 PolarHBondContact ND2-OG 3.21Å; S284-E293 WeakPolarHBondContact CA-OE1 3.31Å; S284-E293 WeakPolarHBondContact CB-OE1 3.46Å; S284-E293 PolarHBondContact OG-OE1 3.06Å; S284-G308 PolarHBondContact N-O 3.27Å
285Y93.5Very high94.6Very high17 Ų1718 Ų187%0.06710%0.1CC..  trans-131.2-19.4177.281.4-81.2000113.7L283 I314 L317 L329 V330 V331 V335L283-Y285 HydrophobicContact CD2-CD1 4.18Å; L283-Y285 HydrophobicContact CG-CD1 4.12Å; L283-Y285 PolarHBondContact O-N 2.9Å; Y285-I314 HydrophobicContact CD2-CD1 4.06Å; Y285-I314 HydrophobicContact CD2-CG1 4.49Å; Y285-I314 HydrophobicContact CE2-CD1 4.16Å; Y285-L317 HydrophobicContact CD1-CD1 4.27Å; Y285-L317 HydrophobicContact CD2-CD1 4.01Å; Y285-L317 HydrophobicContact CD2-CD2 4.3Å; Y285-L317 HydrophobicContact CE2-CD2 4.14Å; Y285-L317 HydrophobicContact CG-CD1 3.87Å; Y285-L329 HydrophobicContact CE1-CD1 4.49Å; Y285-V330 WeakPolarHBondContact CE1-O 3.46Å; Y285-V330 PolarHBondContact OH-O 2.73Å; Y285-V331 WeakPolarHBondContact OH-CA 3.42Å; Y285-V335 HydrophobicContact CE2-CG2 4.25Å
286L90.9Very high94.7Very high13 Ų1318.4 Ų18.47%0.06810%0.104CC..SBendtrans-71.5141.7169.9-64.5179.3000108N126 L288 M292 E293 V330 V332N126-L286 PolarHBondContact ND2-O 2.86Å; L286-L288 PolarHBondContact O-N 3.44Å; L286-M292 HydrophobicContact CD1-CG 4.41Å; L286-M292 HydrophobicContact CD1-SD 3.95Å; L286-E293 HydrophobicContact CB-CB 3.98Å; L286-E293 HydrophobicContact CB-CG 4.46Å; L286-E293 VanDerWaalsContact O-CG 3.23Å; L286-E293 WeakPolarHBondContact O-CG 3.47Å; L286-V330 HydrophobicContact CD1-CB 4.27Å; L286-V330 HydrophobicContact CD1-CG1 3.63Å; L286-V332 HydrophobicContact CD1-CG1 4.34Å; L286-V332 HydrophobicContact CD2-CG1 3.87Å; L286-V332 HydrophobicContact CD2-CG2 4.23Å
287P90.1Very high94.8Very high60 Ų6017.8 Ų17.839%0.3910%0.101SC..  trans-55.6126-176-25.734.2000112.2Y148 P289 H290Y148-P287 HydrophobicContact CD1-CB 4.16Å; Y148-P287 HydrophobicContact CE1-CB 4.08Å; P287-P289 VanDerWaalsContact C-N 3.27Å; P287-H290 WeakPolarHBondContact O-CA 3.19Å; P287-H290 VanDerWaalsContact O-CB 3.24Å; P287-H290 WeakPolarHBondContact O-CB 3.43Å; P287-H290 PolarHBondContact O-N 2.83Å
288L94.7Very high95Very high0 Ų016.5 Ų16.50%09%0.094CC..THydrogen-bonded Turntrans-57.3-29.9176.4-81.9160.7000114.2N126 W130 V131 L286 H290 E293 Q294 L297 F309N126-L288 HydrophobicContact CB-CD1 3.69Å; N126-L288 HydrophobicContact CB-CG 4.23Å; N126-L288 PolarHBondContact OD1-N 3.13Å; W130-L288 HydrophobicContact CB-CD1 4.15Å; W130-L288 HydrophobicContact CD2-CB 3.85Å; W130-L288 HydrophobicContact CD2-CD1 3.44Å; W130-L288 VanDerWaalsContact CD2-CD1 3.44Å; W130-L288 HydrophobicContact CD2-CG 4.16Å; W130-L288 HydrophobicContact CE3-CB 3.9Å; W130-L288 HydrophobicContact CE3-CD1 3.34Å; W130-L288 HydrophobicContact CE3-CD2 4.05Å; W130-L288 HydrophobicContact CE3-CG 3.93Å; W130-L288 HydrophobicContact CG-CD1 3.77Å; W130-L288 HydrophobicContact CH2-CB 3.76Å; W130-L288 HydrophobicContact CH2-CD2 4.5Å; W130-L288 HydrophobicContact CZ2-CB 3.64Å; W130-L288 HydrophobicContact CZ3-CB 3.81Å; W130-L288 HydrophobicContact CZ3-CD1 4Å; W130-L288 HydrophobicContact CZ3-CD2 3.86Å; W130-L288 HydrophobicContact CZ3-CG 4.08Å; V131-L288 HydrophobicContact CG2-CD1 4.15Å; L286-L288 PolarHBondContact O-N 3.44Å; L288-H290 PolarHBondContact O-N 3.01Å; L288-H290 VanDerWaalsContact O-N 3.12Å; L288-E293 HydrophobicContact CD2-CG 3.61Å; L288-E293 HydrophobicContact CG-CG 3.99Å; L288-Q294 WeakPolarHBondContact O-CG 3.38Å; L288-Q294 PolarHBondContact O-NE2 3.18Å; L288-L297 HydrophobicContact CD2-CD2 3.66Å; L288-F309 HydrophobicContact CD1-CE1 4.4Å
289P92.3Very high95.1Very high2 Ų214.9 Ų14.91%0.0138%0.083CC..THydrogen-bonded Turntrans-60.8-17170.1-27.636.8000114.9P146 Y148 P287P146-P289 HydrophobicContact CB-CB 3.6Å; P146-P289 HydrophobicContact CB-CG 3.85Å; Y148-P289 HydrophobicContact CD1-CB 3.92Å; Y148-P289 HydrophobicContact CD1-CG 4.37Å; Y148-P289 HydrophobicContact CD2-CB 3.66Å; Y148-P289 HydrophobicContact CD2-CG 4.5Å; Y148-P289 HydrophobicContact CE1-CB 3.83Å; Y148-P289 HydrophobicContact CE2-CB 3.54Å; Y148-P289 HydrophobicContact CG-CB 3.84Å; Y148-P289 HydrophobicContact CG-CG 4.3Å; Y148-P289 PolarHBondContact OH-O 3.03Å; P287-P289 VanDerWaalsContact C-N 3.27Å
290H88.9Confident95.3Very high40 Ų4010.5 Ų10.519%0.1856%0.059CC..SBendtrans-88.2131177.7-166.2-84.3000111.5Y148 P287 L288 M292 E293 Q294 S402Y148-H290 HydrophobicContact CE1-CB 4.19Å; Y148-H290 WeakPolarHBondContact OH-CA 3.43Å; Y148-H290 WeakPolarHBondContact OH-CB 3.33Å; Y148-H290 PolarHBondContact OH-N 2.97Å; P287-H290 WeakPolarHBondContact O-CA 3.19Å; P287-H290 VanDerWaalsContact O-CB 3.24Å; P287-H290 WeakPolarHBondContact O-CB 3.43Å; P287-H290 PolarHBondContact O-N 2.83Å; L288-H290 PolarHBondContact O-N 3.01Å; L288-H290 VanDerWaalsContact O-N 3.12Å; H290-M292 VanDerWaalsContact ND1-CB 3.35Å; H290-M292 WeakPolarHBondContact ND1-CB 3.5Å; H290-M292 PolarHBondContact ND1-N 3.2Å; H290-M292 PolarHBondContact O-N 3.01Å; H290-E293 PolarHBondContact O-N 3.19Å; H290-Q294 PolarHBondContact O-N 2.99Å; H290-S402 PolarHBondContact CE1-OG 3.02Å
291I94.4Very high95.3Very high6 Ų610.5 Ų10.53%0.0316%0.059CC..Hα-helixtrans-58.8-30.2-172.2-153.762000113.7I255 E293 Q294 I295 M430I255-I291 HydrophobicContact CD1-CD1 3.57Å; I291-E293 VanDerWaalsContact C-N 3.35Å; I291-E293 PolarHBondContact O-N 3.48Å; I291-Q294 HydrophobicContact CD1-CB 4.19Å; I291-Q294 HydrophobicContact CD1-CG 4.34Å; I291-Q294 WeakPolarHBondContact O-CB 3.47Å; I291-Q294 PolarHBondContact O-N 3.12Å; I291-I295 HydrophobicContact CG1-CD1 4.15Å; I291-I295 VanDerWaalsContact O-CD1 3.23Å; I291-I295 WeakPolarHBondContact O-CD1 3.45Å; I291-I295 WeakPolarHBondContact O-CG1 3.34Å; I291-I295 PolarHBondContact O-N 2.88Å; I291-M430 HydrophobicContact CD1-CE 3.47Å; I291-M430 VanDerWaalsContact CD1-CE 3.47Å; I291-M430 HydrophobicContact CD1-SD 3.57Å; I291-M430 VanDerWaalsContact CD1-SD 3.57Å; I291-M430 HydrophobicContact CG1-CE 4Å; I291-M430 HydrophobicContact CG1-SD 3.96Å
292M91.5Very high95.3Very high27 Ų279.9 Ų9.913%0.1336%0.055CC..Hα-helixtrans-60.3-41.9176-169.1-177.5-168.400112.5L286 H290 A296 V330 V332 S402L286-M292 HydrophobicContact CD1-CG 4.41Å; L286-M292 HydrophobicContact CD1-SD 3.95Å; H290-M292 VanDerWaalsContact ND1-CB 3.35Å; H290-M292 WeakPolarHBondContact ND1-CB 3.5Å; H290-M292 PolarHBondContact ND1-N 3.2Å; H290-M292 PolarHBondContact O-N 3.01Å; M292-A296 WeakPolarHBondContact O-CB 3.27Å; M292-A296 PolarHBondContact O-N 2.84Å; M292-A296 VanDerWaalsContact O-N 3.08Å; M292-V330 HydrophobicContact CE-CG1 3.3Å; M292-V330 HydrophobicContact CG-CG1 4.23Å; M292-V330 HydrophobicContact SD-CG1 4.02Å; M292-V332 HydrophobicContact SD-CG1 4.4Å; M292-S402 PolarHBondContact SD-OG 3.36Å
293E95.1Very high95.2Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-72.8-38176.9-178.361.1-159.700110.9H282 S284 L286 L288 H290 I291 I295 A296 L297H282-E293 IonicContact CD2-OE1 2.93Å; H282-E293 IonicContact CE1-OE1 3.3Å; H282-E293 IonicContact CE1-OE2 3.56Å; H282-E293 IonicContact NE2-OE1 3.26Å; H282-E293 PolarHBondContact NE2-OE1 3.12Å; H282-E293 IonicContact NE2-OE2 3.82Å; S284-E293 WeakPolarHBondContact CA-OE1 3.31Å; S284-E293 WeakPolarHBondContact CB-OE1 3.46Å; S284-E293 PolarHBondContact OG-OE1 3.06Å; L286-E293 HydrophobicContact CB-CB 3.98Å; L286-E293 HydrophobicContact CB-CG 4.46Å; L286-E293 VanDerWaalsContact O-CG 3.23Å; L286-E293 WeakPolarHBondContact O-CG 3.47Å; L288-E293 HydrophobicContact CD2-CG 3.61Å; L288-E293 HydrophobicContact CG-CG 3.99Å; H290-E293 PolarHBondContact O-N 3.19Å; I291-E293 VanDerWaalsContact C-N 3.35Å; I291-E293 PolarHBondContact O-N 3.48Å; E293-I295 VanDerWaalsContact C-N 3.32Å; E293-I295 PolarHBondContact O-N 3.22Å; E293-A296 PolarHBondContact O-N 2.88Å; E293-L297 WeakPolarHBondContact O-CB 3.3Å; E293-L297 PolarHBondContact O-N 3.21Å
294Q97.4Very high95.2Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-52.1-52.8174.4-72-63.6-42.400111.2W130 Y238 M239 L288 H290 I291 L298W130-Q294 VanDerWaalsContact CZ3-NE2 3.33Å; Y238-Q294 PolarHBondContact OH-OE1 3.26Å; M239-Q294 HydrophobicContact CE-CG 3.68Å; M239-Q294 VanDerWaalsContact CE-OE1 3.26Å; M239-Q294 HydrophobicContact SD-CG 4.32Å; L288-Q294 WeakPolarHBondContact O-CG 3.38Å; L288-Q294 PolarHBondContact O-NE2 3.18Å; H290-Q294 PolarHBondContact O-N 2.99Å; I291-Q294 HydrophobicContact CD1-CB 4.19Å; I291-Q294 HydrophobicContact CD1-CG 4.34Å; I291-Q294 WeakPolarHBondContact O-CB 3.47Å; I291-Q294 PolarHBondContact O-N 3.12Å; Q294-L298 VanDerWaalsContact O-CB 3.26Å; Q294-L298 WeakPolarHBondContact O-CB 3.3Å; Q294-L298 WeakPolarHBondContact O-CG 3.48Å; Q294-L298 PolarHBondContact O-N 3.49Å
295I95.9Very high95.3Very high10 Ų1011.6 Ų11.65%0.0516%0.063CC..Hα-helixtrans-68.1-40.8-178-57.7152.6000110.8T263 L267 I291 E293 S299 M430T263-I295 HydrophobicContact CG2-CD1 4.22Å; T263-I295 HydrophobicContact CG2-CG1 4.18Å; T263-I295 HydrophobicContact CG2-CG2 3.95Å; L267-I295 HydrophobicContact CD1-CG2 3.13Å; I291-I295 HydrophobicContact CG1-CD1 4.15Å; I291-I295 VanDerWaalsContact O-CD1 3.23Å; I291-I295 WeakPolarHBondContact O-CD1 3.45Å; I291-I295 WeakPolarHBondContact O-CG1 3.34Å; I291-I295 PolarHBondContact O-N 2.88Å; E293-I295 VanDerWaalsContact C-N 3.32Å; E293-I295 PolarHBondContact O-N 3.22Å; I295-S299 WeakPolarHBondContact O-CB 3.39Å; I295-S299 PolarHBondContact O-N 3.5Å; I295-S299 PolarHBondContact O-OG 2.82Å; I295-M430 WeakPolarHBondContact CD1-O 3.19Å; I295-M430 HydrophobicContact CG1-CE 3.8Å
296A96.5Very high95.5Very high12 Ų1211.3 Ų11.310%0.0996%0.064CC..Hα-helixtrans-59.8-52.6177.800000111.3M292 E293 S299 H300 V330M292-A296 WeakPolarHBondContact O-CB 3.27Å; M292-A296 PolarHBondContact O-N 2.84Å; M292-A296 VanDerWaalsContact O-N 3.08Å; E293-A296 PolarHBondContact O-N 2.88Å; A296-S299 PolarHBondContact O-N 3.42Å; A296-H300 PolarHBondContact O-N 3.14Å; A296-H300 VanDerWaalsContact O-N 3.16Å; A296-H300 PolarHBondContact O-ND1 3.42Å; A296-V330 HydrophobicContact CB-CG2 3.84Å
297L98.1Very high95.9Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-61.1-50.5179.6177.265.7000111.3V131 L288 E293 S299 H300 I301 S307V131-L297 HydrophobicContact CB-CD2 4.4Å; V131-L297 HydrophobicContact CG1-CD2 4.03Å; V131-L297 HydrophobicContact CG2-CD2 3.45Å; V131-L297 VanDerWaalsContact CG2-CD2 3.45Å; L288-L297 HydrophobicContact CD2-CD2 3.66Å; E293-L297 WeakPolarHBondContact O-CB 3.3Å; E293-L297 PolarHBondContact O-N 3.21Å; L297-S299 VanDerWaalsContact C-N 3.33Å; L297-S299 PolarHBondContact O-N 3.45Å; L297-H300 WeakPolarHBondContact O-CB 3.27Å; L297-H300 PolarHBondContact O-N 2.97Å; L297-H300 VanDerWaalsContact O-N 3.1Å; L297-I301 HydrophobicContact CD1-CD1 4.07Å; L297-I301 HydrophobicContact CD1-CG1 4.38Å; L297-I301 HydrophobicContact CD2-CD1 4.49Å; L297-I301 HydrophobicContact CG-CD1 3.93Å; L297-I301 WeakPolarHBondContact O-CG1 3.33Å; L297-I301 PolarHBondContact O-N 3.31Å; L297-S307 VanDerWaalsContact CD1-OG 3.31Å; L297-S307 WeakPolarHBondContact CD1-OG 3.37Å
298L98.3Very high96.3Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-66.9-34.1-177.1-67.4173.4000112.4V60 I63 Y238 V260 Q294 H300 I301 L302V60-L298 HydrophobicContact CG1-CD1 4.44Å; V60-L298 HydrophobicContact CG1-CD2 3.91Å; I63-L298 HydrophobicContact CD1-CB 4.41Å; I63-L298 HydrophobicContact CG2-CD2 4.4Å; I63-L298 WeakPolarHBondContact CG2-O 3.32Å; Y238-L298 HydrophobicContact CE1-CD1 4.49Å; V260-L298 HydrophobicContact CG1-CD1 3.39Å; Q294-L298 VanDerWaalsContact O-CB 3.26Å; Q294-L298 WeakPolarHBondContact O-CB 3.3Å; Q294-L298 WeakPolarHBondContact O-CG 3.48Å; Q294-L298 PolarHBondContact O-N 3.49Å; L298-H300 VanDerWaalsContact C-N 3.3Å; L298-H300 PolarHBondContact O-N 2.99Å; L298-I301 PolarHBondContact O-N 2.82Å; L298-L302 WeakPolarHBondContact O-CB 3.31Å; L298-L302 PolarHBondContact O-N 3.43Å
299S96.9Very high96.4Very high8 Ų88 Ų86%0.0564%0.043CC..Hα-helixtrans-65.1-34.4172.9-61.50000112.2H268 I295 A296 L297 M303H268-S299 PolarHBondContact CE1-O 2.69Å; H268-S299 PolarHBondContact NE2-O 3.22Å; I295-S299 WeakPolarHBondContact O-CB 3.39Å; I295-S299 PolarHBondContact O-N 3.5Å; I295-S299 PolarHBondContact O-OG 2.82Å; A296-S299 PolarHBondContact O-N 3.42Å; L297-S299 VanDerWaalsContact C-N 3.33Å; L297-S299 PolarHBondContact O-N 3.45Å; S299-M303 WeakPolarHBondContact O-CG 3.3Å
300H98Very high96.6Very high10 Ų109.6 Ų9.65%0.0465%0.051CC..Hα-helixtrans-73.3-42.1174.4-77.390.1000111.6H282 A296 L297 L298 L302 M303 G304 A305 S328H282-H300 HydrophobicContact CB-CB 4.36Å; H282-H300 AromaticContact CG-CE1 3.97Å; H282-H300 AromaticContact CG-ND1 3.87Å; A296-H300 PolarHBondContact O-N 3.14Å; A296-H300 VanDerWaalsContact O-N 3.16Å; A296-H300 PolarHBondContact O-ND1 3.42Å; L297-H300 WeakPolarHBondContact O-CB 3.27Å; L297-H300 PolarHBondContact O-N 2.97Å; L297-H300 VanDerWaalsContact O-N 3.1Å; L298-H300 VanDerWaalsContact C-N 3.3Å; L298-H300 PolarHBondContact O-N 2.99Å; H300-L302 VanDerWaalsContact C-N 3.34Å; H300-L302 PolarHBondContact O-N 2.94Å; H300-M303 PolarHBondContact O-N 3.38Å; H300-M303 VanDerWaalsContact O-N 3.12Å; H300-G304 PolarHBondContact O-N 2.76Å; H300-A305 HydrophobicContact CB-CB 3.93Å; H300-A305 VanDerWaalsContact O-CB 3.24Å; H300-A305 WeakPolarHBondContact O-CB 3.37Å; H300-A305 PolarHBondContact O-N 2.58Å; H300-S328 PolarHBondContact NE2-OG 2.76Å
301I98.4Very high96.9Very high1 Ų18.8 Ų8.81%0.0055%0.049CC..Hα-helixtrans-60.2-44.6175.8-70.5175.1000111I63 F64 G67 Y92 V131 H135 L297 L298 M303 G304I63-I301 HydrophobicContact CG2-CB 4.3Å; I63-I301 HydrophobicContact CG2-CG2 3.93Å; F64-I301 HydrophobicContact CB-CG2 4.19Å; F64-I301 HydrophobicContact CD2-CG2 3.87Å; F64-I301 HydrophobicContact CG-CG2 4.48Å; G67-I301 VanDerWaalsContact CA-O 3.24Å; G67-I301 WeakPolarHBondContact CA-O 3.38Å; Y92-I301 HydrophobicContact CE1-CG2 4.33Å; Y92-I301 WeakPolarHBondContact OH-CA 3.48Å; Y92-I301 PolarHBondContact OH-O 2.77Å; V131-I301 HydrophobicContact CG1-CD1 4.18Å; H135-I301 VanDerWaalsContact NE2-CD1 3.33Å; H135-I301 WeakPolarHBondContact NE2-CD1 3.26Å; L297-I301 HydrophobicContact CD1-CD1 4.07Å; L297-I301 HydrophobicContact CD1-CG1 4.38Å; L297-I301 HydrophobicContact CD2-CD1 4.49Å; L297-I301 HydrophobicContact CG-CD1 3.93Å; L297-I301 WeakPolarHBondContact O-CG1 3.33Å; L297-I301 PolarHBondContact O-N 3.31Å; L298-I301 PolarHBondContact O-N 2.82Å; I301-M303 PolarHBondContact O-N 2.92Å; I301-M303 VanDerWaalsContact O-N 3.12Å; I301-G304 PolarHBondContact O-N 2.75Å
302L97.6Very high96.6Very high1 Ų114.9 Ų14.91%0.0058%0.077CC..Hα-helixtrans-52.6-37175.8179.958.2000112V57 I63 Y66 A264 I265 L298 H300 G304V57-L302 HydrophobicContact CG1-CD1 3.85Å; V57-L302 HydrophobicContact CG2-CD1 4.15Å; I63-L302 HydrophobicContact CG1-CD1 4.43Å; I63-L302 HydrophobicContact CG2-CB 4.03Å; Y66-L302 HydrophobicContact CD1-CD1 3.81Å; Y66-L302 VanDerWaalsContact CD1-O 3.29Å; Y66-L302 WeakPolarHBondContact CD1-O 3.1Å; Y66-L302 HydrophobicContact CG-CD1 4.19Å; A264-L302 HydrophobicContact CB-CD2 4.21Å; I265-L302 HydrophobicContact CG1-CD2 4.26Å; L298-L302 WeakPolarHBondContact O-CB 3.31Å; L298-L302 PolarHBondContact O-N 3.43Å; H300-L302 VanDerWaalsContact C-N 3.34Å; H300-L302 PolarHBondContact O-N 2.94Å; L302-G304 VanDerWaalsContact C-N 3.34Å
303M96.4Very high96.2Very high36 Ų3616 Ų1618%0.1779%0.088CC..THydrogen-bonded Turntrans-89.45.1-179-61.2-53.1-65.100114.1H268 F273 V276 N277 S278 S299 H300 I301 A305H268-M303 WeakPolarHBondContact CE1-CG 3.34Å; H268-M303 WeakPolarHBondContact NE2-CG 3.31Å; F273-M303 HydrophobicContact CD1-CE 4.04Å; F273-M303 HydrophobicContact CD1-SD 4.27Å; F273-M303 HydrophobicContact CE1-SD 4.31Å; V276-M303 HydrophobicContact CB-CG 4.18Å; V276-M303 HydrophobicContact CG1-CB 3.77Å; V276-M303 HydrophobicContact CG1-CG 3.74Å; N277-M303 CarbonylContact C-O 3.54Å; S278-M303 VanDerWaalsContact CA-O 3.24Å; S278-M303 WeakPolarHBondContact CA-O 3.25Å; S278-M303 PolarHBondContact N-O 3.48Å; S299-M303 WeakPolarHBondContact O-CG 3.3Å; H300-M303 PolarHBondContact O-N 3.38Å; H300-M303 VanDerWaalsContact O-N 3.12Å; I301-M303 PolarHBondContact O-N 2.92Å; I301-M303 VanDerWaalsContact O-N 3.12Å; M303-A305 PolarHBondContact O-N 3.11Å
304G97.9Very high95.7Very high0 Ų019.4 Ų19.40%011%0.105CC..THydrogen-bonded Turntrans70.319.5-176.200000113.7S71 Y92 S278 H300 I301 L302S71-G304 WeakPolarHBondContact CB-O 3.46Å; S71-G304 PolarHBondContact OG-O 3.29Å; Y92-G304 WeakPolarHBondContact CE2-O 3.39Å; Y92-G304 VanDerWaalsContact OH-CA 3.32Å; Y92-G304 WeakPolarHBondContact OH-CA 3.44Å; S278-G304 WeakPolarHBondContact CA-O 3.34Å; H300-G304 PolarHBondContact O-N 2.76Å; I301-G304 PolarHBondContact O-N 2.75Å; L302-G304 VanDerWaalsContact C-N 3.34Å
305A98Very high95Very high0 Ų024.8 Ų24.80%013%0.134CC..  trans-77169-177.800000112.1Y92 N277 S280 H300 M303Y92-A305 WeakPolarHBondContact CE2-O 3.28Å; Y92-A305 PolarHBondContact OH-N 2.75Å; Y92-A305 PolarHBondContact OH-O 2.96Å; N277-A305 WeakPolarHBondContact O-CB 3.3Å; S280-A305 WeakPolarHBondContact O-CB 3.45Å; H300-A305 HydrophobicContact CB-CB 3.93Å; H300-A305 VanDerWaalsContact O-CB 3.24Å; H300-A305 WeakPolarHBondContact O-CB 3.37Å; H300-A305 PolarHBondContact O-N 2.58Å; M303-A305 PolarHBondContact O-N 3.11Å
306S98.5Very high94.7Very high11 Ų1129.4 Ų29.48%0.07715%0.151CC..EExtended strand (participates in β ladder)trans-100144177.7-45.60000111.6R75 C76 S280 V281 H282R75-S306 VanDerWaalsContact CB-OG 3.3Å; R75-S306 WeakPolarHBondContact CB-OG 3.3Å; R75-S306 WeakPolarHBondContact O-CB 3.35Å; R75-S306 PolarHBondContact O-OG 3.35Å; C76-S306 CarbonylContact O-C 3.43Å; C76-S306 WeakPolarHBondContact O-CA 3.35Å; S280-S306 PolarHBondContact O-N 3.4Å; V281-S306 CarbonylContact C-O 3.48Å; V281-S306 WeakPolarHBondContact CA-O 3.48Å; H282-S306 PolarHBondContact N-O 3.48Å
307S98.6Very high94.4Very high1 Ų129.4 Ų29.41%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-123.7121.1175-61.40000110.9C76 L77 G78 W89 H282 L297C76-S307 PolarHBondContact O-N 3.33Å; L77-S307 WeakPolarHBondContact CA-O 3.47Å; G78-S307 PolarHBondContact N-O 2.94Å; W89-S307 WeakPolarHBondContact CZ3-O 3.47Å; H282-S307 WeakPolarHBondContact O-CA 3.22Å; L297-S307 VanDerWaalsContact CD1-OG 3.31Å; L297-S307 WeakPolarHBondContact CD1-OG 3.37Å
308G98.4Very high94.1Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-94.5150.4171.300000111.4G78 H282 S284G78-G308 CarbonylContact O-C 3.57Å; G78-G308 VanDerWaalsContact O-CA 3.31Å; G78-G308 WeakPolarHBondContact O-CA 3.23Å; H282-G308 PolarHBondContact O-N 2.98Å; S284-G308 PolarHBondContact N-O 3.27Å
309F97.9Very high93.8Very high2 Ų234 Ų341%0.00917%0.174CC..EExtended strand (participates in β ladder)trans-109.3156.7175.9-61.2-87.5000111.3L77 G78 Y87 N126 P128 V131 L288L77-F309 HydrophobicContact CB-CE2 4.11Å; L77-F309 HydrophobicContact CD2-CE2 3.98Å; L77-F309 HydrophobicContact CD2-CZ 4.08Å; G78-F309 WeakPolarHBondContact O-CD2 3.3Å; G78-F309 PolarHBondContact O-N 3.06Å; Y87-F309 WeakPolarHBondContact CE1-O 3.45Å; Y87-F309 PolarHBondContact OH-O 3.48Å; N126-F309 HydrophobicContact CB-CD1 3.76Å; N126-F309 HydrophobicContact CB-CE1 4.14Å; P128-F309 HydrophobicContact CB-CE2 4.39Å; P128-F309 HydrophobicContact CG-CD2 3.77Å; P128-F309 HydrophobicContact CG-CE2 3.83Å; V131-F309 HydrophobicContact CG2-CE1 4.08Å; V131-F309 HydrophobicContact CG2-CZ 3.69Å; L288-F309 HydrophobicContact CD1-CE1 4.4Å
310L95.7Very high93.8Very high37 Ų3733.6 Ų33.619%0.19417%0.171CC..  trans-57.8147172.5-69-175.9000111.4L283 L317 D320L283-L310 HydrophobicContact CD1-CD2 4.34Å; L283-L310 HydrophobicContact CD2-CD2 4.47Å; L310-L317 HydrophobicContact CD2-CD1 3.78Å; L310-D320 HydrophobicContact CD2-CB 4.14Å
311T95.1Very high93.6Very high23 Ų2333.2 Ų33.214%0.14117%0.169CC..SBendtrans-71-44.5172.6-53.40000110.8R80 F83 D320R80-T311 HydrophobicContact CB-CG2 4.16Å; R80-T311 WeakPolarHBondContact CB-OG1 3.31Å; R80-T311 WeakPolarHBondContact CD-OG1 3.34Å; F83-T311 HydrophobicContact CD1-CG2 4.35Å; F83-T311 HydrophobicContact CD2-CG2 4.04Å; F83-T311 HydrophobicContact CE1-CG2 4.37Å; F83-T311 HydrophobicContact CE2-CG2 4.09Å; F83-T311 HydrophobicContact CG-CG2 4.19Å; F83-T311 HydrophobicContact CZ-CG2 4.23Å; T311-D320 PolarHBondContact N-OD2 3.26Å; T311-D320 PolarHBondContact OG1-OD1 3.04Å; T311-D320 PolarHBondContact OG1-OD2 3.25Å
312E88.6Confident93.5Very high134 Ų13435.8 Ų35.863%0.62618%0.181SC*.SBendtrans-143.3-117.8-179.1-66.5176.7-165.500110.1F83F83-E312 HydrophobicContact CE2-CB 3.94Å; F83-E312 HydrophobicContact CE2-CG 3.79Å; F83-E312 HydrophobicContact CZ-CB 4.13Å; F83-E312 HydrophobicContact CZ-CG 4.4Å
313S82.5Confident93.4Very high51 Ų5140.1 Ų40.136%0.35720%0.203SC..  trans-89.7166.4-177.886.20000113D315 R316S313-D315 PolarHBondContact O-N 2.99Å; S313-D315 VanDerWaalsContact O-N 3.09Å; S313-D315 WeakPolarHBondContact OG-CB 3.25Å; S313-D315 PolarHBondContact OG-N 3.07Å; S313-D315 PolarHBondContact OG-OD2 3.33Å; S313-R316 PolarHBondContact O-N 2.7Å
314I84.3Confident93.4Very high70 Ų7039 Ų3936%0.35920%0.198SC..G310 helixtrans-63.1-12.9175.9-161.6166.3000113.7Y285 R316 L317 V335Y285-I314 HydrophobicContact CD2-CD1 4.06Å; Y285-I314 HydrophobicContact CD2-CG1 4.49Å; Y285-I314 HydrophobicContact CE2-CD1 4.16Å; I314-R316 PolarHBondContact O-N 3.28Å; I314-L317 HydrophobicContact CG1-CB 4.18Å; I314-L317 HydrophobicContact CG1-CD2 4.14Å; I314-L317 WeakPolarHBondContact O-CB 3.39Å; I314-L317 PolarHBondContact O-N 3.3Å; I314-L317 VanDerWaalsContact O-N 3.16Å; I314-V335 HydrophobicContact CD1-CG2 4.17Å
315D84.3Confident93.4Very high113 Ų11345 Ų4560%0.60422%0.22SC*.G310 helixtrans-64.5-31-178.1-63.3-49.1000112.4S313S313-D315 PolarHBondContact O-N 2.99Å; S313-D315 VanDerWaalsContact O-N 3.09Å; S313-D315 WeakPolarHBondContact OG-CB 3.25Å; S313-D315 PolarHBondContact OG-N 3.07Å; S313-D315 PolarHBondContact OG-OD2 3.33Å
316R89Confident93.3Very high107 Ų10745 Ų4540%0.40422%0.22SC..G310 helixtrans-10522177.2-61.8-167.564.7-175.7-1.6113.1F83 S313 I314 L318 D319 D320F83-R316 HydrophobicContact CE1-CB 3.6Å; F83-R316 HydrophobicContact CE1-CG 4.48Å; F83-R316 HydrophobicContact CE2-CB 4.3Å; F83-R316 HydrophobicContact CE2-CG 4.46Å; F83-R316 VanDerWaalsContact CG-CZ 3.42Å; F83-R316 VanDerWaalsContact CG-NH1 3.26Å; F83-R316 HydrophobicContact CZ-CB 3.45Å; F83-R316 VanDerWaalsContact CZ-CB 3.45Å; F83-R316 HydrophobicContact CZ-CG 4.07Å; S313-R316 PolarHBondContact O-N 2.7Å; I314-R316 PolarHBondContact O-N 3.28Å; R316-L318 PolarHBondContact O-N 3.22Å; R316-L318 VanDerWaalsContact O-N 3.1Å; R316-D319 HydrophobicContact CB-CB 4.49Å; R316-D319 IonicContact CZ-OD2 3.94Å; R316-D319 VanDerWaalsContact CZ-OD2 3.26Å; R316-D319 IonicContact NE-OD2 2.77Å; R316-D319 PolarHBondContact NE-OD2 2.65Å; R316-D319 IonicContact NH2-OD2 3.7Å; R316-D319 PolarHBondContact NH2-OD2 3.43Å; R316-D319 WeakPolarHBondContact O-CB 3.41Å; R316-D319 PolarHBondContact O-N 2.88Å; R316-D320 PolarHBondContact O-N 3.12Å
317L90.5Very high93.2Very high12 Ų1244.5 Ų44.56%0.06322%0.217CC..Hα-helixtrans-48.3-42.1179.5173.564.2000113.4L283 Y285 L310 I314 D319 D320 I321 V335L283-L317 HydrophobicContact CD2-CD1 3.64Å; Y285-L317 HydrophobicContact CD1-CD1 4.27Å; Y285-L317 HydrophobicContact CD2-CD1 4.01Å; Y285-L317 HydrophobicContact CD2-CD2 4.3Å; Y285-L317 HydrophobicContact CE2-CD2 4.14Å; Y285-L317 HydrophobicContact CG-CD1 3.87Å; L310-L317 HydrophobicContact CD2-CD1 3.78Å; I314-L317 HydrophobicContact CG1-CB 4.18Å; I314-L317 HydrophobicContact CG1-CD2 4.14Å; I314-L317 WeakPolarHBondContact O-CB 3.39Å; I314-L317 PolarHBondContact O-N 3.3Å; I314-L317 VanDerWaalsContact O-N 3.16Å; L317-D319 VanDerWaalsContact C-N 3.29Å; L317-D319 PolarHBondContact O-N 3.43Å; L317-D320 PolarHBondContact O-N 2.93Å; L317-I321 HydrophobicContact CD1-CD1 3.89Å; L317-I321 HydrophobicContact CD1-CG1 4.11Å; L317-I321 HydrophobicContact CD2-CD1 4.3Å; L317-I321 HydrophobicContact CG-CD1 3.71Å; L317-I321 HydrophobicContact CG-CG1 4.33Å; L317-I321 VanDerWaalsContact O-CG1 3.29Å; L317-I321 WeakPolarHBondContact O-CG1 3.21Å; L317-I321 PolarHBondContact O-N 2.97Å; L317-V335 HydrophobicContact CD2-CG1 3.82Å
318L90.9Very high93Very high46 Ų4644.6 Ų44.624%0.24122%0.218CC..Hα-helixtrans-66.6-29179.7-74.7178.9000113.4R316 I321 E322 L339 F391R316-L318 PolarHBondContact O-N 3.22Å; R316-L318 VanDerWaalsContact O-N 3.1Å; L318-I321 HydrophobicContact CD2-CD1 4.33Å; L318-E322 VanDerWaalsContact O-CB 3.31Å; L318-E322 WeakPolarHBondContact O-CB 3.14Å; L318-E322 PolarHBondContact O-N 2.81Å; L318-L339 HydrophobicContact CD1-CD2 3.77Å; L318-L339 HydrophobicContact CD2-CD2 3.74Å; L318-L339 HydrophobicContact CG-CD2 3.96Å; L318-F391 HydrophobicContact CD2-CD2 4.18Å; L318-F391 HydrophobicContact CD2-CE2 3.82Å; L318-F391 HydrophobicContact CD2-CZ 4.22Å
319D93Very high92.7Very high51 Ų5144.8 Ų44.827%0.27322%0.219SC..Hα-helixtrans-69.3-41176.7-63.3-32.9000110.2F83 R316 L317 I323F83-D319 HydrophobicContact CD1-CB 4.19Å; F83-D319 HydrophobicContact CE1-CB 4.29Å; R316-D319 HydrophobicContact CB-CB 4.49Å; R316-D319 IonicContact CZ-OD2 3.94Å; R316-D319 VanDerWaalsContact CZ-OD2 3.26Å; R316-D319 IonicContact NE-OD2 2.77Å; R316-D319 PolarHBondContact NE-OD2 2.65Å; R316-D319 IonicContact NH2-OD2 3.7Å; R316-D319 PolarHBondContact NH2-OD2 3.43Å; R316-D319 WeakPolarHBondContact O-CB 3.41Å; R316-D319 PolarHBondContact O-N 2.88Å; L317-D319 VanDerWaalsContact C-N 3.29Å; L317-D319 PolarHBondContact O-N 3.43Å; D319-I323 WeakPolarHBondContact O-CG1 3.43Å; D319-I323 PolarHBondContact O-N 2.82Å
320D95.8Very high92.5Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-68.7-41.4175-77.1-36.6000112.3R80 L310 T311 R316 L317 E322 I323 L324R80-D320 IonicContact CZ-OD1 2.71Å; R80-D320 IonicContact NH1-OD1 3.97Å; R80-D320 PolarHBondContact NH1-OD1 3.5Å; L310-D320 HydrophobicContact CD2-CB 4.14Å; T311-D320 PolarHBondContact N-OD2 3.26Å; T311-D320 PolarHBondContact OG1-OD1 3.04Å; T311-D320 PolarHBondContact OG1-OD2 3.25Å; R316-D320 PolarHBondContact O-N 3.12Å; L317-D320 PolarHBondContact O-N 2.93Å; D320-E322 PolarHBondContact O-N 3.2Å; D320-I323 PolarHBondContact O-N 2.89Å; D320-L324 WeakPolarHBondContact O-CB 2.97Å; D320-L324 PolarHBondContact O-N 3.28Å
321I95.4Very high92.1Very high2 Ų243.3 Ų43.31%0.0121%0.212CC..Hα-helixtrans-61.2-44.1175.5-67.3168.9000111L283 L317 L318 I323 R325 P326 L329 F391L283-I321 HydrophobicContact CD2-CD1 4.24Å; L283-I321 HydrophobicContact CD2-CG1 3.39Å; L317-I321 HydrophobicContact CD1-CD1 3.89Å; L317-I321 HydrophobicContact CD1-CG1 4.11Å; L317-I321 HydrophobicContact CD2-CD1 4.3Å; L317-I321 HydrophobicContact CG-CD1 3.71Å; L317-I321 HydrophobicContact CG-CG1 4.33Å; L317-I321 VanDerWaalsContact O-CG1 3.29Å; L317-I321 WeakPolarHBondContact O-CG1 3.21Å; L317-I321 PolarHBondContact O-N 2.97Å; L318-I321 HydrophobicContact CD2-CD1 4.33Å; I321-I323 VanDerWaalsContact C-N 3.32Å; I321-I323 PolarHBondContact O-N 3.41Å; I321-R325 PolarHBondContact O-N 2.93Å; I321-P326 HydrophobicContact CG2-CG 3.93Å; I321-P326 WeakPolarHBondContact O-CD 3.41Å; I321-L329 HydrophobicContact CD1-CD1 4.31Å; I321-L329 HydrophobicContact CD1-CD2 3.98Å; I321-L329 HydrophobicContact CG1-CD1 4.46Å; I321-F391 VanDerWaalsContact CG2-CA 3.47Å; I321-F391 HydrophobicContact CG2-CB 4.24Å; I321-F391 HydrophobicContact CG2-CG 4.5Å
322E94.8Very high91.5Very high54 Ų5443.7 Ų43.725%0.25221%0.214SC..Hα-helixtrans-61.6-40.8-178.6-176164.9-159.500111.6L318 D320 R325 K390L318-E322 VanDerWaalsContact O-CB 3.31Å; L318-E322 WeakPolarHBondContact O-CB 3.14Å; L318-E322 PolarHBondContact O-N 2.81Å; D320-E322 PolarHBondContact O-N 3.2Å; E322-R325 VanDerWaalsContact O-CG 3.24Å; E322-R325 WeakPolarHBondContact O-CG 3.35Å; E322-K390 IonicContact OE1-NZ 3.95Å; E322-K390 VanDerWaalsContact OE2-CD 3.23Å; E322-K390 WeakPolarHBondContact OE2-CD 3.48Å; E322-K390 IonicContact OE2-NZ 3.79Å; E322-K390 PolarHBondContact OE2-NZ 3.22Å
323I95.8Very high91Very high92 Ų9238.1 Ų38.147%0.47219%0.189SC..Hα-helixtrans-78.4-45.8179.7-64-62000112.4Y87 D319 D320 I321 R325Y87-I323 HydrophobicContact CD2-CG2 4.04Å; Y87-I323 HydrophobicContact CE2-CG2 4.14Å; D319-I323 WeakPolarHBondContact O-CG1 3.43Å; D319-I323 PolarHBondContact O-N 2.82Å; D320-I323 PolarHBondContact O-N 2.89Å; I321-I323 VanDerWaalsContact C-N 3.32Å; I321-I323 PolarHBondContact O-N 3.41Å; I323-R325 VanDerWaalsContact C-N 3.3Å; I323-R325 PolarHBondContact O-N 3.42Å
324L97.3Very high90.6Very high14 Ų1442.3 Ų42.37%0.07320%0.197CC..Hα-helixtrans-66.9-33.6-177.9-176.658.7000112.2Y87 W89 V281 L283 D320Y87-L324 HydrophobicContact CD1-CD1 4.25Å; Y87-L324 HydrophobicContact CD2-CB 4.42Å; Y87-L324 HydrophobicContact CD2-CD1 4.08Å; Y87-L324 HydrophobicContact CE1-CD1 4Å; Y87-L324 HydrophobicContact CE2-CB 3.57Å; Y87-L324 HydrophobicContact CE2-CD1 3.8Å; Y87-L324 HydrophobicContact CE2-CG 4.18Å; Y87-L324 HydrophobicContact CG-CD1 4.3Å; W89-L324 HydrophobicContact CH2-CD1 3.67Å; W89-L324 HydrophobicContact CZ2-CD1 3.62Å; V281-L324 HydrophobicContact CG1-CD1 3.62Å; V281-L324 HydrophobicContact CG1-CD2 4.25Å; V281-L324 HydrophobicContact CG1-CG 3.69Å; L283-L324 HydrophobicContact CB-CD2 3.73Å; L283-L324 HydrophobicContact CD1-CD2 3.5Å; L283-L324 HydrophobicContact CG-CD2 4.14Å; D320-L324 WeakPolarHBondContact O-CB 2.97Å; D320-L324 PolarHBondContact O-N 3.28Å
325R96.4Very high90.4Very high124 Ų12439.8 Ų39.847%0.46819%0.185SC..  trans53.762.1-177.4-55.9-179.659.5-160.6-5.5113.1I321 E322 I323 G392 R394I321-R325 PolarHBondContact O-N 2.93Å; E322-R325 VanDerWaalsContact O-CG 3.24Å; E322-R325 WeakPolarHBondContact O-CG 3.35Å; I323-R325 VanDerWaalsContact C-N 3.3Å; I323-R325 PolarHBondContact O-N 3.42Å; R325-G392 WeakPolarHBondContact CG-O 3.24Å; R325-G392 PolarHBondContact NE-O 3.24Å; R325-R394 HydrophobicContact CB-CG 4.43Å
326P96.9Very high90.3Very high0 Ų034.5 Ų34.50%016%0.157CC..  trans-61.5153-178.627.3-34.5000112.5V281 I321 L329 R394 V395V281-P326 CarbonylContact O-C 3.42Å; V281-P326 WeakPolarHBondContact O-CA 3.5Å; V281-P326 VanDerWaalsContact O-CB 3.32Å; V281-P326 WeakPolarHBondContact O-CB 3.31Å; I321-P326 HydrophobicContact CG2-CG 3.93Å; I321-P326 WeakPolarHBondContact O-CD 3.41Å; P326-L329 HydrophobicContact CG-CD1 4.29Å; P326-R394 CarbonylContact O-C 3.14Å; P326-R394 WeakPolarHBondContact O-CB 3.33Å; P326-V395 HydrophobicContact CG-CG2 4.08Å; P326-V395 PolarHBondContact O-N 3.33Å; P326-V395 VanDerWaalsContact O-N 3.17Å
327T96.5Very high89.7Confident1 Ų131.3 Ų31.31%0.00615%0.151CC..SBendtrans-90.3-33.8178.151.30000112.5C15 S280 V281 V395 C396C15-T327 HydrophobicContact CB-CG2 4.08Å; S280-T327 VanDerWaalsContact CA-OG1 3.29Å; S280-T327 WeakPolarHBondContact CA-OG1 3.41Å; S280-T327 WeakPolarHBondContact CB-OG1 3.5Å; V281-T327 PolarHBondContact N-OG1 2.96Å; V281-T327 PolarHBondContact O-N 2.93Å; V281-T327 PolarHBondContact O-OG1 3.07Å; T327-V395 CarbonylContact O-C 3.56Å; T327-V395 WeakPolarHBondContact O-CA 3.38Å; T327-C396 PolarHBondContact O-N 2.92Å; T327-C396 PolarHBondContact O-SG 2.68Å
328S93.5Very high89Confident4 Ų436 Ų363%0.02817%0.168CC..EExtended strand (participates in β ladder)trans-129.7151.4172.151.50000107H300H300-S328 PolarHBondContact NE2-OG 2.76Å
329L93.2Very high88.6Confident3 Ų334.7 Ų34.72%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-132.5119.1176.6-17170.5000109.9L283 Y285 I321 P326 V331 F391 V395 C397 L398 V399L283-L329 HydrophobicContact CB-CD1 4.28Å; L283-L329 HydrophobicContact CD2-CD1 4.43Å; Y285-L329 HydrophobicContact CE1-CD1 4.49Å; I321-L329 HydrophobicContact CD1-CD1 4.31Å; I321-L329 HydrophobicContact CD1-CD2 3.98Å; I321-L329 HydrophobicContact CG1-CD1 4.46Å; P326-L329 HydrophobicContact CG-CD1 4.29Å; L329-V331 HydrophobicContact CB-CG1 4.38Å; L329-V331 HydrophobicContact CD2-CG1 3.57Å; L329-V331 HydrophobicContact CG-CG1 3.66Å; L329-F391 HydrophobicContact CD2-CD1 3.78Å; L329-F391 HydrophobicContact CD2-CE1 3.77Å; L329-V395 HydrophobicContact CB-CG1 4.41Å; L329-V395 HydrophobicContact CB-CG2 4.41Å; L329-C397 PolarHBondContact N-O 2.79Å; L329-L398 HydrophobicContact CB-CD2 3.88Å; L329-L398 HydrophobicContact CD2-CD2 4.41Å; L329-L398 WeakPolarHBondContact O-CA 3.49Å; L329-V399 PolarHBondContact O-N 3.42Å
330V92.8Very high88.2Confident7 Ų733.6 Ų33.64%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-77.6119.3170.6-170.10000108.2Y285 L286 M292 A296 V399Y285-V330 WeakPolarHBondContact CE1-O 3.46Å; Y285-V330 PolarHBondContact OH-O 2.73Å; L286-V330 HydrophobicContact CD1-CB 4.27Å; L286-V330 HydrophobicContact CD1-CG1 3.63Å; M292-V330 HydrophobicContact CE-CG1 3.3Å; M292-V330 HydrophobicContact CG-CG1 4.23Å; M292-V330 HydrophobicContact SD-CG1 4.02Å; A296-V330 HydrophobicContact CB-CG2 3.84Å; V330-V399 CarbonylContact C-O 3.59Å; V330-V399 WeakPolarHBondContact CA-O 3.34Å; V330-V399 HydrophobicContact CG2-CB 4.37Å
331V88.4Confident87.4Confident2 Ų237 Ų371%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-127.4131.3-175.9-65.20000110.5Y285 L329 L398 V399 T400Y285-V331 WeakPolarHBondContact OH-CA 3.42Å; L329-V331 HydrophobicContact CB-CG1 4.38Å; L329-V331 HydrophobicContact CD2-CG1 3.57Å; L329-V331 HydrophobicContact CG-CG1 3.66Å; V331-L398 HydrophobicContact CG1-CD2 4.42Å; V331-L398 HydrophobicContact CG2-CB 4.19Å; V331-L398 HydrophobicContact CG2-CD1 4.4Å; V331-V399 PolarHBondContact N-O 3.1Å; V331-T400 VanDerWaalsContact O-CA 3.32Å; V331-T400 WeakPolarHBondContact O-CA 3.34Å; V331-T400 WeakPolarHBondContact O-CB 3.47Å; V331-T400 PolarHBondContact O-OG1 3.09Å
332V82.4Confident86.8Confident30 Ų3042.8 Ų42.818%0.18220%0.199CC..  trans-85.7151.4167.3-67.80000110.4L286 M292 R334 V335 L336L286-V332 HydrophobicContact CD1-CG1 4.34Å; L286-V332 HydrophobicContact CD2-CG1 3.87Å; L286-V332 HydrophobicContact CD2-CG2 4.23Å; M292-V332 HydrophobicContact SD-CG1 4.4Å; V332-R334 PolarHBondContact O-N 2.9Å; V332-R334 VanDerWaalsContact O-N 3.09Å; V332-V335 HydrophobicContact CG2-CB 4.1Å; V332-V335 HydrophobicContact CG2-CG2 3.68Å; V332-V335 PolarHBondContact O-N 2.97Å; V332-L336 PolarHBondContact O-N 2.92Å; V332-L336 VanDerWaalsContact O-N 3.16Å
333P77.6Confident86.4Confident17 Ų1741.5 Ų41.511%0.1119%0.192CC..Hα-helixtrans-53.1-35.5-178.1-31.137000114.3V335 L336 S337 A403 L405P333-V335 PolarHBondContact O-N 3.04Å; P333-L336 PolarHBondContact O-N 2.82Å; P333-S337 WeakPolarHBondContact O-CB 3.45Å; P333-S337 PolarHBondContact O-N 3.35Å; P333-S337 PolarHBondContact O-OG 3.36Å; P333-A403 HydrophobicContact CG-CB 4.03Å; P333-A403 WeakPolarHBondContact CG-O 3.48Å; P333-L405 HydrophobicContact CB-CD1 4.34Å; P333-L405 HydrophobicContact CG-CD1 4.5Å
334R74Confident85.9Confident140 Ų14038.9 Ų38.953%0.52818%0.178SC..Hα-helixtrans-64.3-37.3178.2-171.7175.3-170-149.43.7113.4V332 S337 R338 M646V332-R334 PolarHBondContact O-N 2.9Å; V332-R334 VanDerWaalsContact O-N 3.09Å; R334-S337 PolarHBondContact O-OG 2.99Å; R334-R338 WeakPolarHBondContact O-CG 3.41Å; R334-R338 PolarHBondContact O-N 3.41Å; R334-M646 VanDerWaalsContact CZ-CE 3.44Å; R334-M646 PolarHBondContact NH1-SD 3.11Å; R334-M646 VanDerWaalsContact NH1-SD 3.41Å
335V79.6Confident85.3Confident16 Ų1643.6 Ų43.610%0.09720%0.203CC..Hα-helixtrans-71.6-45.4177.2168.90000109.1Y285 I314 L317 V332 P333 S337 R338 L339Y285-V335 HydrophobicContact CE2-CG2 4.25Å; I314-V335 HydrophobicContact CD1-CG2 4.17Å; L317-V335 HydrophobicContact CD2-CG1 3.82Å; V332-V335 HydrophobicContact CG2-CB 4.1Å; V332-V335 HydrophobicContact CG2-CG2 3.68Å; V332-V335 PolarHBondContact O-N 2.97Å; P333-V335 PolarHBondContact O-N 3.04Å; V335-S337 VanDerWaalsContact C-N 3.32Å; V335-S337 PolarHBondContact O-N 3.38Å; V335-R338 PolarHBondContact O-N 2.97Å; V335-L339 HydrophobicContact CG1-CD1 3.86Å; V335-L339 WeakPolarHBondContact O-CD1 3.24Å; V335-L339 VanDerWaalsContact O-CG 3.27Å; V335-L339 WeakPolarHBondContact O-CG 3.31Å; V335-L339 PolarHBondContact O-N 2.84Å; V335-L339 VanDerWaalsContact O-N 3.08Å
336L82.3Confident84.8Confident3 Ų341.6 Ų41.62%0.01621%0.213CC..Hα-helixtrans-62.8-36.4177.7-174.256.2000112.5V332 P333 L339 Y340 L405 F412 A413V332-L336 PolarHBondContact O-N 2.92Å; V332-L336 VanDerWaalsContact O-N 3.16Å; P333-L336 PolarHBondContact O-N 2.82Å; L336-L339 PolarHBondContact O-N 3.32Å; L336-Y340 WeakPolarHBondContact O-CB 3.34Å; L336-Y340 PolarHBondContact O-N 2.96Å; L336-L405 HydrophobicContact CD2-CD1 3.75Å; L336-L405 HydrophobicContact CD2-CD2 4.41Å; L336-F412 HydrophobicContact CD1-CD1 4.47Å; L336-F412 HydrophobicContact CD1-CE1 4.3Å; L336-A413 HydrophobicContact CD1-CB 4.28Å; L336-A413 HydrophobicContact CD2-CB 3.89Å
337S76.6Confident84.3Confident39 Ų3942.6 Ų42.627%0.27322%0.218SC..Hα-helixtrans-68.9-41.2176.870.70000113P333 R334 V335 L339 Y340 T341P333-S337 WeakPolarHBondContact O-CB 3.45Å; P333-S337 PolarHBondContact O-N 3.35Å; P333-S337 PolarHBondContact O-OG 3.36Å; R334-S337 PolarHBondContact O-OG 2.99Å; V335-S337 VanDerWaalsContact C-N 3.32Å; V335-S337 PolarHBondContact O-N 3.38Å; S337-L339 VanDerWaalsContact C-N 3.3Å; S337-L339 PolarHBondContact O-N 3.23Å; S337-Y340 WeakPolarHBondContact O-CB 3.41Å; S337-Y340 PolarHBondContact O-N 2.94Å; S337-T341 PolarHBondContact O-N 3.08Å; S337-T341 PolarHBondContact O-OG1 3.24Å
338R76.4Confident83.7Confident112 Ų11243.8 Ų43.842%0.42323%0.231SC..Hα-helixtrans-59.8-42.6172.5-74.2177.875.7-172.84.1111.2R334 V335 K342R334-R338 WeakPolarHBondContact O-CG 3.41Å; R334-R338 PolarHBondContact O-N 3.41Å; V335-R338 PolarHBondContact O-N 2.97Å; R338-K342 WeakPolarHBondContact O-CG 3.49Å; R338-K342 PolarHBondContact O-N 3.14Å; R338-K342 VanDerWaalsContact O-N 3.08Å
339L82.2Confident83.3Confident18 Ų1849.9 Ų49.99%0.09426%0.263CS..Hα-helixtrans-67-41.6177.6-69.3162.3000112.1L318 V335 L336 S337 Y343 F391L318-L339 HydrophobicContact CD1-CD2 3.77Å; L318-L339 HydrophobicContact CD2-CD2 3.74Å; L318-L339 HydrophobicContact CG-CD2 3.96Å; V335-L339 HydrophobicContact CG1-CD1 3.86Å; V335-L339 WeakPolarHBondContact O-CD1 3.24Å; V335-L339 VanDerWaalsContact O-CG 3.27Å; V335-L339 WeakPolarHBondContact O-CG 3.31Å; V335-L339 PolarHBondContact O-N 2.84Å; V335-L339 VanDerWaalsContact O-N 3.08Å; L336-L339 PolarHBondContact O-N 3.32Å; S337-L339 VanDerWaalsContact C-N 3.3Å; S337-L339 PolarHBondContact O-N 3.23Å; L339-Y343 VanDerWaalsContact O-CB 3.31Å; L339-Y343 WeakPolarHBondContact O-CB 3.3Å; L339-Y343 PolarHBondContact O-N 3.3Å; L339-F391 HydrophobicContact CD1-CE1 4.14Å; L339-F391 HydrophobicContact CD1-CZ 3.52Å; L339-F391 HydrophobicContact CD2-CE2 4.3Å; L339-F391 HydrophobicContact CD2-CZ 4.06Å; L339-F391 HydrophobicContact CG-CZ 4.26Å
340Y83.7Confident82.9Confident27 Ų2752.1 Ų52.111%0.10628%0.279CS..Hα-helixtrans-59-48.6174.8176.4-111.7000111.7L336 S337 Y343 Q344 E408 L409 F412L336-Y340 WeakPolarHBondContact O-CB 3.34Å; L336-Y340 PolarHBondContact O-N 2.96Å; S337-Y340 WeakPolarHBondContact O-CB 3.41Å; S337-Y340 PolarHBondContact O-N 2.94Å; Y340-Y343 WeakPolarHBondContact O-CB 3.42Å; Y340-Y343 PolarHBondContact O-N 2.9Å; Y340-Y343 VanDerWaalsContact O-N 3.16Å; Y340-Q344 HydrophobicContact CD1-CG 4.4Å; Y340-Q344 HydrophobicContact CD2-CG 4.23Å; Y340-Q344 HydrophobicContact CE1-CG 3.96Å; Y340-Q344 HydrophobicContact CE2-CG 3.77Å; Y340-Q344 VanDerWaalsContact CZ-NE2 3.31Å; Y340-Q344 WeakPolarHBondContact O-CG 3.41Å; Y340-Q344 PolarHBondContact O-N 3.15Å; Y340-Q344 PolarHBondContact OH-NE2 2.95Å; Y340-E408 HydrophobicContact CE1-CG 4.14Å; Y340-E408 VanDerWaalsContact OH-CD 3.26Å; Y340-E408 WeakPolarHBondContact OH-CG 3.36Å; Y340-E408 PolarHBondContact OH-OE1 3.27Å; Y340-L409 VanDerWaalsContact CB-CD2 3.41Å; Y340-L409 HydrophobicContact CD1-CD2 3.66Å; Y340-L409 HydrophobicContact CD2-CD2 4.32Å; Y340-L409 HydrophobicContact CG-CD2 3.53Å; Y340-F412 HydrophobicContact CD2-CB 3.81Å; Y340-F412 AromaticContact CD2-CD1 3.58Å; Y340-F412 HydrophobicContact CD2-CD1 3.58Å; Y340-F412 AromaticContact CD2-CD2 3.8Å; Y340-F412 HydrophobicContact CD2-CD2 3.8Å; Y340-F412 HydrophobicContact CD2-CE1 4.02Å; Y340-F412 HydrophobicContact CD2-CE2 4.21Å; Y340-F412 AromaticContact CD2-CG 3.43Å; Y340-F412 HydrophobicContact CD2-CG 3.43Å; Y340-F412 VanDerWaalsContact CD2-CG 3.43Å; Y340-F412 HydrophobicContact CD2-CZ 4.3Å; Y340-F412 HydrophobicContact CE2-CB 3.82Å; Y340-F412 HydrophobicContact CE2-CD1 4.42Å; Y340-F412 HydrophobicContact CE2-CD2 4.04Å; Y340-F412 AromaticContact CE2-CG 3.84Å; Y340-F412 HydrophobicContact CE2-CG 3.84Å; Y340-F412 HydrophobicContact CG-CD1 4.33Å
341T78.8Confident82.6Confident73 Ų7354.9 Ų54.945%0.44830%0.302SS..Hα-helixtrans-59.1-53.4179-53.10000110.5S337 Y343 Q344 D345S337-T341 PolarHBondContact O-N 3.08Å; S337-T341 PolarHBondContact O-OG1 3.24Å; T341-Y343 PolarHBondContact O-N 2.9Å; T341-Y343 VanDerWaalsContact O-N 3.15Å; T341-Q344 PolarHBondContact O-N 3.37Å; T341-D345 PolarHBondContact O-N 3.48Å
342K82.7Confident82.6Confident122 Ų12261.7 Ų61.753%0.5334%0.336SS..Hα-helixtrans-55.1-37175.6-74.6-175.4175.6-173.40113R338 A346R338-K342 WeakPolarHBondContact O-CG 3.49Å; R338-K342 PolarHBondContact O-N 3.14Å; R338-K342 VanDerWaalsContact O-N 3.08Å; K342-A346 WeakPolarHBondContact O-CB 3.21Å; K342-A346 PolarHBondContact O-N 3.45Å
343Y87.5Confident82.9Confident27 Ų2765 Ų6511%0.10635%0.348CS..Hα-helixtrans-70.6-41.7177.8-179.2-95.9000112.3L339 Y340 T341 A346 L347 Y357 L383 F384 L387 F412L339-Y343 VanDerWaalsContact O-CB 3.31Å; L339-Y343 WeakPolarHBondContact O-CB 3.3Å; L339-Y343 PolarHBondContact O-N 3.3Å; Y340-Y343 WeakPolarHBondContact O-CB 3.42Å; Y340-Y343 PolarHBondContact O-N 2.9Å; Y340-Y343 VanDerWaalsContact O-N 3.16Å; T341-Y343 PolarHBondContact O-N 2.9Å; T341-Y343 VanDerWaalsContact O-N 3.15Å; Y343-A346 PolarHBondContact O-N 3.07Å; Y343-L347 HydrophobicContact CD1-CD1 3.85Å; Y343-L347 HydrophobicContact CD1-CG 4.4Å; Y343-L347 HydrophobicContact CE1-CD1 3.38Å; Y343-L347 HydrophobicContact CE1-CG 3.97Å; Y343-L347 WeakPolarHBondContact O-CG 3.37Å; Y343-L347 PolarHBondContact O-N 3.41Å; Y343-Y357 HydrophobicContact CE1-CD2 4.08Å; Y343-Y357 AromaticContact CE1-CE2 3.88Å; Y343-Y357 HydrophobicContact CE1-CE2 3.88Å; Y343-L383 VanDerWaalsContact OH-CD1 3.27Å; Y343-L383 WeakPolarHBondContact OH-CD1 3.41Å; Y343-L383 VanDerWaalsContact OH-CG 3.25Å; Y343-L383 WeakPolarHBondContact OH-CG 3.17Å; Y343-L383 PolarHBondContact OH-O 3.3Å; Y343-F384 HydrophobicContact CE1-CD1 4.42Å; Y343-F384 HydrophobicContact CE1-CE1 4.04Å; Y343-F384 HydrophobicContact CE2-CD1 4.44Å; Y343-F384 AromaticContact CZ-CD1 3.89Å; Y343-F384 AromaticContact CZ-CE1 3.94Å; Y343-F384 WeakPolarHBondContact OH-CD1 3.31Å; Y343-L387 HydrophobicContact CD2-CB 4.22Å; Y343-L387 HydrophobicContact CD2-CD1 4.17Å; Y343-L387 HydrophobicContact CD2-CD2 4.07Å; Y343-L387 HydrophobicContact CD2-CG 4.39Å; Y343-L387 HydrophobicContact CE2-CB 4.09Å; Y343-L387 HydrophobicContact CE2-CD2 4.2Å; Y343-F412 HydrophobicContact CD1-CD2 4.44Å; Y343-F412 AromaticContact CD1-CE2 3.55Å; Y343-F412 HydrophobicContact CD1-CE2 3.55Å; Y343-F412 HydrophobicContact CD1-CZ 4.13Å; Y343-F412 AromaticContact CE1-CE2 3.87Å; Y343-F412 HydrophobicContact CE1-CE2 3.87Å; Y343-F412 HydrophobicContact CG-CE2 4.03Å; Y343-F412 HydrophobicContact CG-CZ 4.18Å
344Q85.5Confident83.4Confident38 Ų3867.1 Ų67.118%0.17836%0.355CS..Hα-helixtrans-64-41.1174.4-70.6-64.8-10.500111.6Y340 T341 A346 L347 G348 Y357Y340-Q344 HydrophobicContact CD1-CG 4.4Å; Y340-Q344 HydrophobicContact CD2-CG 4.23Å; Y340-Q344 HydrophobicContact CE1-CG 3.96Å; Y340-Q344 HydrophobicContact CE2-CG 3.77Å; Y340-Q344 VanDerWaalsContact CZ-NE2 3.31Å; Y340-Q344 WeakPolarHBondContact O-CG 3.41Å; Y340-Q344 PolarHBondContact O-N 3.15Å; Y340-Q344 PolarHBondContact OH-NE2 2.95Å; T341-Q344 PolarHBondContact O-N 3.37Å; Q344-A346 VanDerWaalsContact C-N 3.33Å; Q344-A346 PolarHBondContact O-N 3.42Å; Q344-L347 WeakPolarHBondContact O-CB 3.41Å; Q344-L347 PolarHBondContact O-N 3.03Å; Q344-L347 VanDerWaalsContact O-N 3.16Å; Q344-G348 PolarHBondContact O-N 3.45Å; Q344-Y357 VanDerWaalsContact NE2-CZ 3.34Å; Q344-Y357 PolarHBondContact NE2-OH 3.38Å
345D85.1Confident84.2Confident113 Ų11369.6 Ų69.660%0.60437%0.365SS*.Hα-helixtrans-61.4-43.4175.5-60.2-23000111.1T341 L347 G348T341-D345 PolarHBondContact O-N 3.48Å; D345-L347 VanDerWaalsContact C-N 3.31Å; D345-L347 PolarHBondContact O-N 3.09Å; D345-G348 WeakPolarHBondContact O-CA 3.46Å; D345-G348 PolarHBondContact O-N 2.87Å
346A86Confident84.7Confident82 Ų8271.2 Ų71.268%0.67837%0.373SS*.Hα-helixtrans-67.6-28176.600000113.5K342 Y343 Q344 G348K342-A346 WeakPolarHBondContact O-CB 3.21Å; K342-A346 PolarHBondContact O-N 3.45Å; Y343-A346 PolarHBondContact O-N 3.07Å; Q344-A346 VanDerWaalsContact C-N 3.33Å; Q344-A346 PolarHBondContact O-N 3.42Å; A346-G348 VanDerWaalsContact C-N 3.32Å
347L85.9Confident85.2Confident20 Ų2071.7 Ų71.711%0.10537%0.374CS..Hα-helixtrans-67.4-36.9169.1-77.9169.6000110.9Y343 Q344 D345 K353 Y357 L383Y343-L347 HydrophobicContact CD1-CD1 3.85Å; Y343-L347 HydrophobicContact CD1-CG 4.4Å; Y343-L347 HydrophobicContact CE1-CD1 3.38Å; Y343-L347 HydrophobicContact CE1-CG 3.97Å; Y343-L347 WeakPolarHBondContact O-CG 3.37Å; Y343-L347 PolarHBondContact O-N 3.41Å; Q344-L347 WeakPolarHBondContact O-CB 3.41Å; Q344-L347 PolarHBondContact O-N 3.03Å; Q344-L347 VanDerWaalsContact O-N 3.16Å; D345-L347 VanDerWaalsContact C-N 3.31Å; D345-L347 PolarHBondContact O-N 3.09Å; L347-K353 WeakPolarHBondContact O-CD 3.31Å; L347-K353 PolarHBondContact O-NZ 3.28Å; L347-Y357 HydrophobicContact CD1-CD2 3.74Å; L347-Y357 HydrophobicContact CD1-CE2 4.34Å; L347-Y357 HydrophobicContact CD1-CG 4.11Å; L347-L383 HydrophobicContact CD2-CD1 3.77Å
348G84.3Confident85.9Confident26 Ų2674.5 Ų74.527%0.26839%0.386SS..  trans72.9-172.6-179.400000113.5Q344 D345 A346 S350 K354Q344-G348 PolarHBondContact O-N 3.45Å; D345-G348 WeakPolarHBondContact O-CA 3.46Å; D345-G348 PolarHBondContact O-N 2.87Å; A346-G348 VanDerWaalsContact C-N 3.32Å; G348-S350 PolarHBondContact O-N 3.28Å; G348-K354 WeakPolarHBondContact O-CE 3.34Å
349D83.3Confident86.7Confident132 Ų13275.3 Ų75.371%0.70639%0.39SS*.SBendtrans-87.72.1-170.6-74.2-45.7000116.4A351 K354D349-A351 PolarHBondContact O-N 2.66Å; D349-K354 IonicContact OD1-NZ 3.7Å; D349-K354 PolarHBondContact OD1-NZ 3.13Å
350S85.4Confident87.1Confident51 Ų5174.7 Ų74.736%0.35739%0.387SS..  trans-56.1116.2179175.80000111.6G348 M352 K353 K354G348-S350 PolarHBondContact O-N 3.28Å; S350-M352 PolarHBondContact O-N 3.4Å; S350-K353 PolarHBondContact O-N 3.3Å; S350-K354 PolarHBondContact O-N 2.76Å
351A88Confident87.5Confident64 Ų6474 Ų7453%0.52939%0.385SS..Hα-helixtrans-56.4-35.6178.500000112.4D349 R355D349-A351 PolarHBondContact O-N 2.66Å; A351-R355 WeakPolarHBondContact O-CB 3.45Å; A351-R355 VanDerWaalsContact O-CG 3.26Å; A351-R355 WeakPolarHBondContact O-CG 3.47Å; A351-R355 PolarHBondContact O-N 2.88Å
352M88.5Confident88.2Confident145 Ų14578.5 Ų78.571%0.71440%0.399SS*.Hα-helixtrans-64.2-47175.4-175.5-179.169.800111.6S350 R355 L356S350-M352 PolarHBondContact O-N 3.4Å; M352-R355 PolarHBondContact O-N 3.38Å; M352-L356 WeakPolarHBondContact O-CB 3.5Å; M352-L356 PolarHBondContact O-N 3.18Å
353K87.1Confident88.6Confident100 Ų10076 Ų7644%0.43539%0.388SS..Hα-helixtrans-63.6-42.2177.5-68.5-177.6-179.21770111.6L347 S350 L356 Y357L347-K353 WeakPolarHBondContact O-CD 3.31Å; L347-K353 PolarHBondContact O-NZ 3.28Å; S350-K353 PolarHBondContact O-N 3.3Å; K353-L356 PolarHBondContact O-N 3.34Å; K353-Y357 WeakPolarHBondContact O-CB 3.32Å; K353-Y357 PolarHBondContact O-N 2.65Å
354K89.2Confident88.8Confident61 Ų6175.1 Ų75.127%0.26538%0.384SS..Hα-helixtrans-63.8-42.8176.3-72.1-178.6176.8169.80112.4G348 D349 S350 Y357 N358G348-K354 WeakPolarHBondContact O-CE 3.34Å; D349-K354 IonicContact OD1-NZ 3.7Å; D349-K354 PolarHBondContact OD1-NZ 3.13Å; S350-K354 PolarHBondContact O-N 2.76Å; K354-Y357 PolarHBondContact O-N 2.8Å; K354-N358 WeakPolarHBondContact O-CB 3.18Å; K354-N358 PolarHBondContact O-N 2.76Å; K354-N358 PolarHBondContact O-ND2 3.15Å
355R90.6Very high89.1Confident193 Ų19375.3 Ų75.373%0.72839%0.386SS*.Hα-helixtrans-61.3-44173.7-76.7176.6-175.9179.92.3111.6A351 M352 N358 Y359A351-R355 WeakPolarHBondContact O-CB 3.45Å; A351-R355 VanDerWaalsContact O-CG 3.26Å; A351-R355 WeakPolarHBondContact O-CG 3.47Å; A351-R355 PolarHBondContact O-N 2.88Å; M352-R355 PolarHBondContact O-N 3.38Å; R355-N358 PolarHBondContact O-N 2.86Å; R355-Y359 WeakPolarHBondContact O-CB 3.42Å; R355-Y359 PolarHBondContact O-N 3.04Å
356L89.8Confident89.4Confident50 Ų5071.8 Ų71.826%0.26237%0.373SS..Hα-helixtrans-63.7-44.9177.2179.961.2000111.9M352 K353 Y359 I360 L379 M382M352-L356 WeakPolarHBondContact O-CB 3.5Å; M352-L356 PolarHBondContact O-N 3.18Å; K353-L356 PolarHBondContact O-N 3.34Å; L356-Y359 PolarHBondContact O-N 3.33Å; L356-I360 HydrophobicContact CD1-CD1 3.74Å; L356-I360 HydrophobicContact CD1-CG1 4.17Å; L356-I360 HydrophobicContact CG-CD1 3.79Å; L356-I360 VanDerWaalsContact O-CG1 3.31Å; L356-I360 WeakPolarHBondContact O-CG1 3.31Å; L356-I360 PolarHBondContact O-N 3.37Å; L356-L379 HydrophobicContact CD1-CD2 4.33Å; L356-M382 HydrophobicContact CD2-CE 3.55Å
357Y92.2Very high89.6Confident13 Ų1369.1 Ų69.15%0.05135%0.347CS..Hα-helixtrans-55.3-53.9174.1169.9-93.9000111.2Y343 Q344 L347 K353 K354 Y359 I360 V361 L383 F384 F412Y343-Y357 HydrophobicContact CE1-CD2 4.08Å; Y343-Y357 AromaticContact CE1-CE2 3.88Å; Y343-Y357 HydrophobicContact CE1-CE2 3.88Å; Q344-Y357 VanDerWaalsContact NE2-CZ 3.34Å; Q344-Y357 PolarHBondContact NE2-OH 3.38Å; L347-Y357 HydrophobicContact CD1-CD2 3.74Å; L347-Y357 HydrophobicContact CD1-CE2 4.34Å; L347-Y357 HydrophobicContact CD1-CG 4.11Å; K353-Y357 WeakPolarHBondContact O-CB 3.32Å; K353-Y357 PolarHBondContact O-N 2.65Å; K354-Y357 PolarHBondContact O-N 2.8Å; Y357-Y359 VanDerWaalsContact C-N 3.31Å; Y357-Y359 PolarHBondContact O-N 3.31Å; Y357-I360 PolarHBondContact O-N 3.03Å; Y357-I360 VanDerWaalsContact O-N 3.15Å; Y357-V361 HydrophobicContact CD1-CG2 4.35Å; Y357-V361 HydrophobicContact CD2-CG2 4.22Å; Y357-V361 HydrophobicContact CE1-CG2 3.91Å; Y357-V361 HydrophobicContact CE2-CG2 3.77Å; Y357-V361 HydrophobicContact CG-CG2 4.48Å; Y357-V361 WeakPolarHBondContact O-CG2 3.41Å; Y357-V361 PolarHBondContact O-N 2.68Å; Y357-L383 HydrophobicContact CD2-CD1 4.46Å; Y357-L383 HydrophobicContact CD2-CD2 3.97Å; Y357-F384 HydrophobicContact CE2-CE1 4.19Å; Y357-F384 HydrophobicContact CE2-CZ 4.19Å; Y357-F412 HydrophobicContact CE2-CD2 4.23Å
358N92Very high89.9Confident98 Ų9868.4 Ų68.452%0.52434%0.343SS..Hα-helixtrans-60.4-40.1180-73.3-25.5000112.4K354 R355 K362K354-N358 WeakPolarHBondContact O-CB 3.18Å; K354-N358 PolarHBondContact O-N 2.76Å; K354-N358 PolarHBondContact O-ND2 3.15Å; R355-N358 PolarHBondContact O-N 2.86Å; N358-K362 VanDerWaalsContact O-CB 3.31Å; N358-K362 WeakPolarHBondContact O-CB 3.42Å; N358-K362 PolarHBondContact O-N 3.31Å
359Y92.3Very high90.2Very high129 Ų12973.5 Ų73.551%0.50636%0.358SS..Hα-helixtrans-61.2-47.7175172.3-98.5000111.7R355 L356 Y357 K362 K363 L379R355-Y359 WeakPolarHBondContact O-CB 3.42Å; R355-Y359 PolarHBondContact O-N 3.04Å; L356-Y359 PolarHBondContact O-N 3.33Å; Y357-Y359 VanDerWaalsContact C-N 3.31Å; Y357-Y359 PolarHBondContact O-N 3.31Å; Y359-K362 PolarHBondContact O-N 3.01Å; Y359-K363 HydrophobicContact CE1-CD 4.29Å; Y359-K363 VanDerWaalsContact O-CB 3.3Å; Y359-K363 WeakPolarHBondContact O-CB 3.39Å; Y359-K363 PolarHBondContact O-N 3.45Å; Y359-L379 HydrophobicContact CE1-CD1 4.19Å
360I91.5Very high90.5Very high4 Ų474.6 Ų74.62%0.02135%0.352CS..Hα-helixtrans-65.9-45.5-179.2-67.2164.5000110.6L356 Y357 K362 K363 K364 L379 L383 F384L356-I360 HydrophobicContact CD1-CD1 3.74Å; L356-I360 HydrophobicContact CD1-CG1 4.17Å; L356-I360 HydrophobicContact CG-CD1 3.79Å; L356-I360 VanDerWaalsContact O-CG1 3.31Å; L356-I360 WeakPolarHBondContact O-CG1 3.31Å; L356-I360 PolarHBondContact O-N 3.37Å; Y357-I360 PolarHBondContact O-N 3.03Å; Y357-I360 VanDerWaalsContact O-N 3.15Å; I360-K362 PolarHBondContact O-N 3.2Å; I360-K363 PolarHBondContact O-N 3.22Å; I360-K364 HydrophobicContact CG2-CG 4.28Å; I360-K364 WeakPolarHBondContact O-CB 3.38Å; I360-K364 WeakPolarHBondContact O-CG 3.46Å; I360-K364 PolarHBondContact O-N 3.27Å; I360-L379 HydrophobicContact CD1-CB 3.9Å; I360-L379 WeakPolarHBondContact CD1-O 3.5Å; I360-L379 HydrophobicContact CG1-CB 4.19Å; I360-L383 HydrophobicContact CB-CD2 3.75Å; I360-L383 HydrophobicContact CD1-CB 3.8Å; I360-L383 HydrophobicContact CD1-CD2 3.5Å; I360-L383 HydrophobicContact CD1-CG 4.17Å; I360-L383 HydrophobicContact CG1-CD2 4.22Å; I360-L383 HydrophobicContact CG2-CD2 3.8Å; I360-F384 HydrophobicContact CG2-CD2 4.48Å; I360-F384 HydrophobicContact CG2-CE2 3.91Å
361V92.3Very high90.6Very high13 Ų1372.2 Ų72.28%0.07934%0.335CS..Hα-helixtrans-57.9-50.1176.5171.60000110.8Y357 K363 K364 L365 F384 K411 A415Y357-V361 HydrophobicContact CD1-CG2 4.35Å; Y357-V361 HydrophobicContact CD2-CG2 4.22Å; Y357-V361 HydrophobicContact CE1-CG2 3.91Å; Y357-V361 HydrophobicContact CE2-CG2 3.77Å; Y357-V361 HydrophobicContact CG-CG2 4.48Å; Y357-V361 WeakPolarHBondContact O-CG2 3.41Å; Y357-V361 PolarHBondContact O-N 2.68Å; V361-K363 VanDerWaalsContact C-N 3.32Å; V361-K363 PolarHBondContact O-N 2.93Å; V361-K364 PolarHBondContact O-N 3.33Å; V361-L365 HydrophobicContact CG1-CD1 4.05Å; V361-L365 WeakPolarHBondContact O-CG 3.41Å; V361-L365 PolarHBondContact O-N 3.28Å; V361-F384 HydrophobicContact CG2-CZ 4.22Å; V361-K411 HydrophobicContact CG1-CB 4.22Å; V361-A415 HydrophobicContact CB-CB 4.2Å; V361-A415 HydrophobicContact CG1-CB 4.13Å; V361-A415 HydrophobicContact CG2-CB 3.91Å
362K92.6Very high90.5Very high167 Ų16772.5 Ų72.573%0.72633%0.325SS*.Hα-helixtrans-59.8-42.7178.3-174.6177-178.9178.40112N358 Y359 I360 A366N358-K362 VanDerWaalsContact O-CB 3.31Å; N358-K362 WeakPolarHBondContact O-CB 3.42Å; N358-K362 PolarHBondContact O-N 3.31Å; Y359-K362 PolarHBondContact O-N 3.01Å; I360-K362 PolarHBondContact O-N 3.2Å; K362-A366 PolarHBondContact O-N 3.4Å; K362-A366 VanDerWaalsContact O-N 3.16Å
363K92.1Very high90.3Very high71 Ų7165.7 Ų65.731%0.30929%0.291SS..Hα-helixtrans-61.4-45.4176.5-179.5178.4177.1176.90111.4Y359 I360 V361 A366 E367Y359-K363 HydrophobicContact CE1-CD 4.29Å; Y359-K363 VanDerWaalsContact O-CB 3.3Å; Y359-K363 WeakPolarHBondContact O-CB 3.39Å; Y359-K363 PolarHBondContact O-N 3.45Å; I360-K363 PolarHBondContact O-N 3.22Å; V361-K363 VanDerWaalsContact C-N 3.32Å; V361-K363 PolarHBondContact O-N 2.93Å; K363-A366 PolarHBondContact O-N 3.35Å; K363-E367 VanDerWaalsContact CE-OE1 3.23Å; K363-E367 WeakPolarHBondContact CE-OE1 3.48Å; K363-E367 WeakPolarHBondContact O-CG 3.39Å; K363-E367 PolarHBondContact O-N 3.45Å
364K91.2Very high89.8Confident7 Ų764 Ų643%0.0328%0.283CS..Hα-helixtrans-60.5-46.4179.2-76.8-54.8-158.61800112.9I360 V361 A366 E367 Q368 Y374 H375 D380 A415I360-K364 HydrophobicContact CG2-CG 4.28Å; I360-K364 WeakPolarHBondContact O-CB 3.38Å; I360-K364 WeakPolarHBondContact O-CG 3.46Å; I360-K364 PolarHBondContact O-N 3.27Å; V361-K364 PolarHBondContact O-N 3.33Å; K364-A366 VanDerWaalsContact C-N 3.29Å; K364-A366 PolarHBondContact O-N 2.79Å; K364-E367 WeakPolarHBondContact CD-OE2 3.21Å; K364-E367 IonicContact NZ-OE2 3.56Å; K364-E367 WeakPolarHBondContact O-CB 3.45Å; K364-E367 PolarHBondContact O-N 2.87Å; K364-E367 VanDerWaalsContact O-N 3.12Å; K364-Q368 WeakPolarHBondContact O-CG 3.4Å; K364-Q368 PolarHBondContact O-N 2.8Å; K364-Y374 PolarHBondContact NZ-O 3.3Å; K364-H375 PolarHBondContact NZ-ND1 3.34Å; K364-D380 VanDerWaalsContact CE-CG 3.43Å; K364-D380 WeakPolarHBondContact CE-OD1 3.2Å; K364-D380 IonicContact NZ-OD1 3.65Å; K364-A415 HydrophobicContact CB-CB 3.89Å; K364-A415 HydrophobicContact CG-CB 4.17Å
365L91.6Very high88.9Confident42 Ų4262.1 Ų62.122%0.2228%0.275CS..Hα-helixtrans-63.1-38.1177.9-62.6170.9000111.5V361 Q368 K369 K411 H414V361-L365 HydrophobicContact CG1-CD1 4.05Å; V361-L365 WeakPolarHBondContact O-CG 3.41Å; V361-L365 PolarHBondContact O-N 3.28Å; L365-Q368 PolarHBondContact O-N 2.96Å; L365-K369 PolarHBondContact O-N 3.24Å; L365-K411 HydrophobicContact CD1-CB 4.1Å; L365-K411 HydrophobicContact CD1-CD 4.37Å; L365-K411 HydrophobicContact CD1-CG 3.74Å; L365-H414 HydrophobicContact CD2-CB 3.88Å
366A91.9Very high87.8Confident40 Ų4060.6 Ų60.633%0.33127%0.269SS..Hα-helixtrans-69-30174.400000113.5K362 K363 K364 R370K362-A366 PolarHBondContact O-N 3.4Å; K362-A366 VanDerWaalsContact O-N 3.16Å; K363-A366 PolarHBondContact O-N 3.35Å; K364-A366 VanDerWaalsContact C-N 3.29Å; K364-A366 PolarHBondContact O-N 2.79Å; A366-R370 WeakPolarHBondContact O-CG 3.2Å
367E90.6Very high87.1Confident26 Ų2659.8 Ų59.812%0.12127%0.267CS..Hα-helixtrans-67.7-45.3171-74.6173.3171.500110.9K363 K364 K369 R370 G371 K372K363-E367 VanDerWaalsContact CE-OE1 3.23Å; K363-E367 WeakPolarHBondContact CE-OE1 3.48Å; K363-E367 WeakPolarHBondContact O-CG 3.39Å; K363-E367 PolarHBondContact O-N 3.45Å; K364-E367 WeakPolarHBondContact CD-OE2 3.21Å; K364-E367 IonicContact NZ-OE2 3.56Å; K364-E367 WeakPolarHBondContact O-CB 3.45Å; K364-E367 PolarHBondContact O-N 2.87Å; K364-E367 VanDerWaalsContact O-N 3.12Å; E367-K369 PolarHBondContact O-N 2.92Å; E367-R370 CarbonylContact O-C 3.49Å; E367-R370 WeakPolarHBondContact O-CA 3.32Å; E367-R370 WeakPolarHBondContact O-CB 3.43Å; E367-R370 PolarHBondContact O-N 3.44Å; E367-G371 PolarHBondContact O-N 2.95Å; E367-K372 CarbonylContact C-O 3.48Å; E367-K372 HydrophobicContact CB-CB 4.09Å; E367-K372 WeakPolarHBondContact O-CB 3.48Å; E367-K372 PolarHBondContact O-N 3.38Å
368Q91Very high86.6Confident5 Ų565 Ų652%0.02330%0.3CS..Hα-helixtrans-64.2-39.5178.9-69.4-178.213.400112.7K364 L365 R370 G371 K372 F373 H414K364-Q368 WeakPolarHBondContact O-CG 3.4Å; K364-Q368 PolarHBondContact O-N 2.8Å; L365-Q368 PolarHBondContact O-N 2.96Å; Q368-R370 PolarHBondContact O-N 2.64Å; Q368-R370 VanDerWaalsContact O-N 3.12Å; Q368-G371 WeakPolarHBondContact O-CA 3.19Å; Q368-G371 PolarHBondContact O-N 2.93Å; Q368-K372 PolarHBondContact N-O 3.16Å; Q368-F373 HydrophobicContact CB-CD1 4.41Å; Q368-F373 HydrophobicContact CB-CE1 3.96Å; Q368-F373 HydrophobicContact CB-CZ 4.17Å; Q368-F373 HydrophobicContact CG-CD1 3.72Å; Q368-F373 HydrophobicContact CG-CE1 3.71Å; Q368-F373 HydrophobicContact CG-CG 4.37Å; Q368-F373 HydrophobicContact CG-CZ 4.35Å; Q368-H414 PolarHBondContact NE2-O 2.85Å; Q368-H414 PolarHBondContact OE1-ND1 3.23Å
369K90.4Very high86.2Confident133 Ų13363.3 Ų63.358%0.57829%0.291SS*.Hα-helixtrans-57.3-26.3171.4-177.7166.1-174.3175.70113.2L365 E367 Y441L365-K369 PolarHBondContact O-N 3.24Å; E367-K369 PolarHBondContact O-N 2.92Å; K369-Y441 HydrophobicContact CB-CD2 3.73Å; K369-Y441 HydrophobicContact CB-CE2 3.88Å; K369-Y441 HydrophobicContact CB-CG 4.31Å; K369-Y441 HydrophobicContact CD-CD2 4.47Å; K369-Y441 HydrophobicContact CD-CE2 3.87Å; K369-Y441 HydrophobicContact CG-CD2 3.95Å; K369-Y441 HydrophobicContact CG-CE2 3.53Å
370R89.3Confident85.9Confident154 Ų15457.2 Ų57.258%0.58127%0.267SS*.THydrogen-bonded Turntrans-92.94.9174.2-62.4-179.2-175.3116.9-8.2113.2D3 A366 E367 Q368D3-R370 PolarHBondContact N-O 3.07Å; A366-R370 WeakPolarHBondContact O-CG 3.2Å; E367-R370 CarbonylContact O-C 3.49Å; E367-R370 WeakPolarHBondContact O-CA 3.32Å; E367-R370 WeakPolarHBondContact O-CB 3.43Å; E367-R370 PolarHBondContact O-N 3.44Å; Q368-R370 PolarHBondContact O-N 2.64Å; Q368-R370 VanDerWaalsContact O-N 3.12Å
371G87.4Confident85.6Confident1 Ų160.5 Ų60.51%0.0129%0.288CS..THydrogen-bonded Turntrans84.21917900000115.5S6 E367 Q368S6-G371 PolarHBondContact OG-O 3.38Å; E367-G371 PolarHBondContact O-N 2.95Å; Q368-G371 WeakPolarHBondContact O-CA 3.19Å; Q368-G371 PolarHBondContact O-N 2.93Å
372K86.4Confident85.2Confident70 Ų7065.6 Ų65.630%0.30431%0.312SS..BIsolated β-bridgetrans-105.9109.8-178.4-64179.9178.6-175.10110.4E367 Q368 Y374E367-K372 CarbonylContact C-O 3.48Å; E367-K372 HydrophobicContact CB-CB 4.09Å; E367-K372 WeakPolarHBondContact O-CB 3.48Å; E367-K372 PolarHBondContact O-N 3.38Å; Q368-K372 PolarHBondContact N-O 3.16Å; K372-Y374 HydrophobicContact CB-CD1 4.15Å; K372-Y374 HydrophobicContact CB-CE1 3.74Å; K372-Y374 HydrophobicContact CD-CE1 3.93Å; K372-Y374 HydrophobicContact CG-CE1 3.93Å
373F85.5Confident85Confident2 Ų258.5 Ų58.51%0.00928%0.282CS..  trans-11116.7-177.7-66.3-92.9000113.4P9 F24 I25 Q368 P419 G439P9-F373 HydrophobicContact CG-CB 3.8Å; F24-F373 HydrophobicContact CD1-CD2 4.14Å; F24-F373 HydrophobicContact CE1-CB 4.3Å; F24-F373 AromaticContact CE1-CD2 3.85Å; F24-F373 HydrophobicContact CE1-CD2 3.85Å; F24-F373 HydrophobicContact CE1-CE2 4.42Å; F24-F373 HydrophobicContact CE1-CG 4.09Å; I25-F373 HydrophobicContact CD1-CE2 4.26Å; I25-F373 HydrophobicContact CG1-CE2 4.18Å; Q368-F373 HydrophobicContact CB-CD1 4.41Å; Q368-F373 HydrophobicContact CB-CE1 3.96Å; Q368-F373 HydrophobicContact CB-CZ 4.17Å; Q368-F373 HydrophobicContact CG-CD1 3.72Å; Q368-F373 HydrophobicContact CG-CE1 3.71Å; Q368-F373 HydrophobicContact CG-CG 4.37Å; Q368-F373 HydrophobicContact CG-CZ 4.35Å; F373-P419 HydrophobicContact CB-CG 4.49Å; F373-P419 HydrophobicContact CD1-CG 4.13Å; F373-G439 WeakPolarHBondContact CZ-O 3.45Å
374Y75Confident84.9Confident65 Ų6555.1 Ų55.126%0.25527%0.267SS..  trans-89.4148.1-177.363.5-93.9000113.6T7 K364 K372 R376T7-Y374 WeakPolarHBondContact OG1-CD1 3.49Å; K364-Y374 PolarHBondContact NZ-O 3.3Å; K372-Y374 HydrophobicContact CB-CD1 4.15Å; K372-Y374 HydrophobicContact CB-CE1 3.74Å; K372-Y374 HydrophobicContact CD-CE1 3.93Å; K372-Y374 HydrophobicContact CG-CE1 3.93Å; Y374-R376 HydrophobicContact CD2-CB 3.99Å; Y374-R376 HydrophobicContact CD2-CG 4.2Å; Y374-R376 HydrophobicContact CE2-CB 4.41Å
375H72Confident84.8Confident21 Ų2155.9 Ų55.910%0.09728%0.277CS..  trans-110.977.7179.5-64.8-72.8000110.2N10 K364 D380 R388 A415 F417 G418N10-H375 PolarHBondContact ND2-O 3.18Å; K364-H375 PolarHBondContact NZ-ND1 3.34Å; H375-D380 WeakPolarHBondContact CA-OD2 3.45Å; H375-D380 WeakPolarHBondContact CB-OD2 3.37Å; H375-D380 IonicContact CG-OD1 2.65Å; H375-D380 IonicContact CG-OD2 3.75Å; H375-D380 IonicContact ND1-OD1 3.62Å; H375-D380 PolarHBondContact ND1-OD1 3.03Å; H375-D380 IonicContact ND1-OD2 3.8Å; H375-R388 PolarHBondContact ND1-NH1 2.83Å; H375-R388 VanDerWaalsContact ND1-NH1 3.18Å; H375-A415 PolarHBondContact CE1-O 2.92Å; H375-A415 VanDerWaalsContact CE1-O 3.29Å; H375-F417 VanDerWaalsContact NE2-C 3.3Å; H375-F417 PolarHBondContact NE2-O 3.26Å; H375-G418 PolarHBondContact NE2-N 2.88Å
376R67.1Low84.7Confident161 Ų16162.5 Ų62.561%0.60830%0.304SS*.  trans-120.6-22.9-178.9-75.5-165.7177.5-155.8-3.3116.2N10 Y374 V378N10-R376 WeakPolarHBondContact ND2-CG 3.36Å; N10-R376 PolarHBondContact OD1-NE 3.43Å; N10-R376 VanDerWaalsContact OD1-NE 3.12Å; Y374-R376 HydrophobicContact CD2-CB 3.99Å; Y374-R376 HydrophobicContact CD2-CG 4.2Å; Y374-R376 HydrophobicContact CE2-CB 4.41Å; R376-V378 PolarHBondContact O-N 3.13Å
377S75.6Confident84.7Confident33 Ų3361.5 Ų61.523%0.23129%0.293CS..SBendtrans-62.2137.8-17668.10000109.8L379 D380 T381S377-L379 PolarHBondContact O-N 2.92Å; S377-L379 VanDerWaalsContact O-N 3.07Å; S377-D380 PolarHBondContact O-N 3Å; S377-D380 VanDerWaalsContact OG-CB 3.25Å; S377-D380 WeakPolarHBondContact OG-CB 3.3Å; S377-D380 PolarHBondContact OG-N 3.39Å; S377-T381 PolarHBondContact O-N 2.97Å
378V80.2Confident84.7Confident123 Ų12362.2 Ų62.275%0.74529%0.294SS*.Hα-helixtrans-47.4-41.6177.7176.90000111.2R376 T381 M382R376-V378 PolarHBondContact O-N 3.13Å; V378-T381 PolarHBondContact O-N 2.71Å; V378-M382 VanDerWaalsContact O-CB 3.29Å; V378-M382 WeakPolarHBondContact O-CB 3.37Å; V378-M382 PolarHBondContact O-N 3.3Å
379L83.4Confident84.7Confident63 Ų6369 Ų6933%0.3332%0.324SS..Hα-helixtrans-62.2-42.7177.5-64.7-179.5000113.9L356 Y359 I360 S377 M382 L383L356-L379 HydrophobicContact CD1-CD2 4.33Å; Y359-L379 HydrophobicContact CE1-CD1 4.19Å; I360-L379 HydrophobicContact CD1-CB 3.9Å; I360-L379 WeakPolarHBondContact CD1-O 3.5Å; I360-L379 HydrophobicContact CG1-CB 4.19Å; S377-L379 PolarHBondContact O-N 2.92Å; S377-L379 VanDerWaalsContact O-N 3.07Å; L379-M382 HydrophobicContact CD2-CE 4.41Å; L379-L383 VanDerWaalsContact O-CB 3.29Å; L379-L383 WeakPolarHBondContact O-CB 3.5Å; L379-L383 PolarHBondContact O-N 3.39Å
380D86.1Confident84.8Confident0 Ų067.1 Ų67.10%032%0.316CS..Hα-helixtrans-68.6-42.4176.3161.492.2000111.7K364 H375 S377 M382 L383 F384 R388K364-D380 VanDerWaalsContact CE-CG 3.43Å; K364-D380 WeakPolarHBondContact CE-OD1 3.2Å; K364-D380 IonicContact NZ-OD1 3.65Å; H375-D380 WeakPolarHBondContact CA-OD2 3.45Å; H375-D380 WeakPolarHBondContact CB-OD2 3.37Å; H375-D380 IonicContact CG-OD1 2.65Å; H375-D380 IonicContact CG-OD2 3.75Å; H375-D380 IonicContact ND1-OD1 3.62Å; H375-D380 PolarHBondContact ND1-OD1 3.03Å; H375-D380 IonicContact ND1-OD2 3.8Å; S377-D380 PolarHBondContact O-N 3Å; S377-D380 VanDerWaalsContact OG-CB 3.25Å; S377-D380 WeakPolarHBondContact OG-CB 3.3Å; S377-D380 PolarHBondContact OG-N 3.39Å; D380-M382 VanDerWaalsContact C-N 3.32Å; D380-M382 PolarHBondContact O-N 3.27Å; D380-L383 PolarHBondContact O-N 3.43Å; D380-F384 PolarHBondContact O-N 3.23Å; D380-R388 PolarHBondContact O-NH2 2.73Å; D380-R388 IonicContact OD1-CZ 3.51Å; D380-R388 IonicContact OD1-NH1 3.53Å; D380-R388 PolarHBondContact OD1-NH1 2.95Å; D380-R388 VanDerWaalsContact OD1-NH1 3.09Å; D380-R388 IonicContact OD1-NH2 3.4Å; D380-R388 IonicContact OD2-CZ 2.74Å; D380-R388 IonicContact OD2-NH1 3.84Å; D380-R388 IonicContact OD2-NH2 2.82Å; D380-R388 PolarHBondContact OD2-NH2 3.26Å
381T85.1Confident85Confident74 Ų7459.9 Ų59.945%0.45429%0.288SS..Hα-helixtrans-62.8-41.6175.9-58.50000111S377 V378 G385S377-T381 PolarHBondContact O-N 2.97Å; V378-T381 PolarHBondContact O-N 2.71Å; T381-G385 WeakPolarHBondContact O-CA 3.34Å; T381-G385 PolarHBondContact O-N 3.38Å
382M84.9Confident85.2Confident119 Ų11960.1 Ų60.159%0.58629%0.291SS*.Hα-helixtrans-64-41.3176.6-172.5-17674.500111.9L356 V378 L379 D380L356-M382 HydrophobicContact CD2-CE 3.55Å; V378-M382 VanDerWaalsContact O-CB 3.29Å; V378-M382 WeakPolarHBondContact O-CB 3.37Å; V378-M382 PolarHBondContact O-N 3.3Å; L379-M382 HydrophobicContact CD2-CE 4.41Å; D380-M382 VanDerWaalsContact C-N 3.32Å; D380-M382 PolarHBondContact O-N 3.27Å
383L87.5Confident85.5Confident19 Ų1958.3 Ų58.310%0.09929%0.292CS..Hα-helixtrans-79.1-49-175.5-176.166.8000113.1Y343 L347 Y357 I360 L379 D380Y343-L383 VanDerWaalsContact OH-CD1 3.27Å; Y343-L383 WeakPolarHBondContact OH-CD1 3.41Å; Y343-L383 VanDerWaalsContact OH-CG 3.25Å; Y343-L383 WeakPolarHBondContact OH-CG 3.17Å; Y343-L383 PolarHBondContact OH-O 3.3Å; L347-L383 HydrophobicContact CD2-CD1 3.77Å; Y357-L383 HydrophobicContact CD2-CD1 4.46Å; Y357-L383 HydrophobicContact CD2-CD2 3.97Å; I360-L383 HydrophobicContact CB-CD2 3.75Å; I360-L383 HydrophobicContact CD1-CB 3.8Å; I360-L383 HydrophobicContact CD1-CD2 3.5Å; I360-L383 HydrophobicContact CD1-CG 4.17Å; I360-L383 HydrophobicContact CG1-CD2 4.22Å; I360-L383 HydrophobicContact CG2-CD2 3.8Å; L379-L383 VanDerWaalsContact O-CB 3.29Å; L379-L383 WeakPolarHBondContact O-CB 3.5Å; L379-L383 PolarHBondContact O-N 3.39Å; D380-L383 PolarHBondContact O-N 3.43Å
384F90.5Very high85.8Confident0 Ų060.8 Ų60.80%030%0.301CS..Hα-helixtrans-108.5-5.8-171.4-64.9-58.1000113.8Y343 Y357 I360 V361 D380 K386 L387 R388 F412 A415 A416Y343-F384 HydrophobicContact CE1-CD1 4.42Å; Y343-F384 HydrophobicContact CE1-CE1 4.04Å; Y343-F384 HydrophobicContact CE2-CD1 4.44Å; Y343-F384 AromaticContact CZ-CD1 3.89Å; Y343-F384 AromaticContact CZ-CE1 3.94Å; Y343-F384 WeakPolarHBondContact OH-CD1 3.31Å; Y357-F384 HydrophobicContact CE2-CE1 4.19Å; Y357-F384 HydrophobicContact CE2-CZ 4.19Å; I360-F384 HydrophobicContact CG2-CD2 4.48Å; I360-F384 HydrophobicContact CG2-CE2 3.91Å; V361-F384 HydrophobicContact CG2-CZ 4.22Å; D380-F384 PolarHBondContact O-N 3.23Å; F384-K386 PolarHBondContact O-N 2.99Å; F384-L387 HydrophobicContact CD1-CD2 4.17Å; F384-L387 WeakPolarHBondContact O-CB 3.2Å; F384-L387 PolarHBondContact O-N 2.91Å; F384-R388 VanDerWaalsContact CB-NH1 3.27Å; F384-R388 PolarHBondContact O-N 3.19Å; F384-F412 HydrophobicContact CE1-CD2 4.25Å; F384-F412 HydrophobicContact CE1-CE2 4.01Å; F384-A415 HydrophobicContact CE2-CB 4.16Å; F384-A415 HydrophobicContact CZ-CB 4.14Å; F384-A416 HydrophobicContact CD1-CB 3.69Å; F384-A416 HydrophobicContact CE1-CB 3.81Å; F384-A416 HydrophobicContact CG-CB 4.11Å; F384-A416 HydrophobicContact CZ-CB 4.3Å
385G89.8Confident86.7Confident22 Ų2258.3 Ų58.323%0.22729%0.293CS..Hα-helixtrans-59.5-43.8-177.100000113.7T381 R388 K389T381-G385 WeakPolarHBondContact O-CA 3.34Å; T381-G385 PolarHBondContact O-N 3.38Å; G385-R388 PolarHBondContact O-N 3.46Å; G385-K389 WeakPolarHBondContact O-CB 3.44Å; G385-K389 PolarHBondContact O-N 2.85Å
386K89.4Confident87.6Confident182 Ų18257.3 Ų57.379%0.79129%0.289SS*.Hα-helixtrans-63.5-42.3176.1-69.2-173.8179.8-177.60111.9F384 K389 K390F384-K386 PolarHBondContact O-N 2.99Å; K386-K389 PolarHBondContact O-N 3.31Å; K386-K390 PolarHBondContact O-N 3.48Å
387L90.9Very high88.9Confident19 Ų1949.8 Ų49.810%0.09926%0.26CS..Hα-helixtrans-60.2-53175.9179.467.2000110.3Y343 F384 K389 K390 F391 F412 A416 F417Y343-L387 HydrophobicContact CD2-CB 4.22Å; Y343-L387 HydrophobicContact CD2-CD1 4.17Å; Y343-L387 HydrophobicContact CD2-CD2 4.07Å; Y343-L387 HydrophobicContact CD2-CG 4.39Å; Y343-L387 HydrophobicContact CE2-CB 4.09Å; Y343-L387 HydrophobicContact CE2-CD2 4.2Å; F384-L387 HydrophobicContact CD1-CD2 4.17Å; F384-L387 WeakPolarHBondContact O-CB 3.2Å; F384-L387 PolarHBondContact O-N 2.91Å; L387-K389 VanDerWaalsContact C-N 3.26Å; L387-K389 PolarHBondContact O-N 2.85Å; L387-K390 WeakPolarHBondContact O-CB 3.39Å; L387-K390 PolarHBondContact O-N 2.86Å; L387-F391 HydrophobicContact CD1-CD2 4.11Å; L387-F391 HydrophobicContact CD1-CE2 3.6Å; L387-F391 HydrophobicContact CG-CD2 4.42Å; L387-F391 HydrophobicContact CG-CE2 4.27Å; L387-F391 VanDerWaalsContact O-CD2 3.24Å; L387-F391 WeakPolarHBondContact O-CD2 3.42Å; L387-F391 PolarHBondContact O-N 2.94Å; L387-F391 VanDerWaalsContact O-N 3.1Å; L387-F412 HydrophobicContact CD2-CE2 4.01Å; L387-F412 HydrophobicContact CD2-CZ 3.6Å; L387-A416 HydrophobicContact CD2-CB 3.96Å; L387-F417 HydrophobicContact CD2-CE2 4.15Å; L387-F417 HydrophobicContact CD2-CZ 3.98Å; L387-F417 HydrophobicContact CG-CZ 4Å
388R91.7Very high89.7Confident41 Ų4148.2 Ų48.216%0.15525%0.249CC..Hα-helixtrans-60.5-33.3178.5-71.3-175.6-71.8-111.67.2113.1H375 D380 F384 G385 F391 G392 G393 A416 F417H375-R388 PolarHBondContact ND1-NH1 2.83Å; H375-R388 VanDerWaalsContact ND1-NH1 3.18Å; D380-R388 PolarHBondContact O-NH2 2.73Å; D380-R388 IonicContact OD1-CZ 3.51Å; D380-R388 IonicContact OD1-NH1 3.53Å; D380-R388 PolarHBondContact OD1-NH1 2.95Å; D380-R388 VanDerWaalsContact OD1-NH1 3.09Å; D380-R388 IonicContact OD1-NH2 3.4Å; D380-R388 IonicContact OD2-CZ 2.74Å; D380-R388 IonicContact OD2-NH1 3.84Å; D380-R388 IonicContact OD2-NH2 2.82Å; D380-R388 PolarHBondContact OD2-NH2 3.26Å; F384-R388 VanDerWaalsContact CB-NH1 3.27Å; F384-R388 PolarHBondContact O-N 3.19Å; G385-R388 PolarHBondContact O-N 3.46Å; R388-F391 CarbonylContact O-C 3.37Å; R388-F391 PolarHBondContact O-N 3.24Å; R388-G392 PolarHBondContact O-N 2.88Å; R388-G393 VanDerWaalsContact O-CA 3.29Å; R388-G393 WeakPolarHBondContact O-CA 3.33Å; R388-G393 PolarHBondContact O-N 2.83Å; R388-A416 WeakPolarHBondContact CD-O 3.45Å; R388-A416 PolarHBondContact NH1-O 3.31Å; R388-F417 HydrophobicContact CG-CD1 4.38Å; R388-F417 HydrophobicContact CG-CE1 4.35Å
389K91.4Very high90.4Very high147 Ų14744.3 Ų44.364%0.63923%0.226SC*.Hα-helixtrans-64.6-43.7173.8-173.4-179.1176.5-175.90111.8G385 K386 L387 F391 G392G385-K389 WeakPolarHBondContact O-CB 3.44Å; G385-K389 PolarHBondContact O-N 2.85Å; K386-K389 PolarHBondContact O-N 3.31Å; L387-K389 VanDerWaalsContact C-N 3.26Å; L387-K389 PolarHBondContact O-N 2.85Å; K389-F391 PolarHBondContact O-N 3.34Å; K389-G392 WeakPolarHBondContact O-CA 3.42Å; K389-G392 PolarHBondContact O-N 3.48Å
390K91.8Very high90.8Very high93 Ų9341.4 Ų41.440%0.40421%0.211SC..Hα-helixtrans-62.4-22.4172.6-74.1-59.9-170.5179.30113.3E322 K386 L387 G392E322-K390 IonicContact OE1-NZ 3.95Å; E322-K390 VanDerWaalsContact OE2-CD 3.23Å; E322-K390 WeakPolarHBondContact OE2-CD 3.48Å; E322-K390 IonicContact OE2-NZ 3.79Å; E322-K390 PolarHBondContact OE2-NZ 3.22Å; K386-K390 PolarHBondContact O-N 3.48Å; L387-K390 WeakPolarHBondContact O-CB 3.39Å; L387-K390 PolarHBondContact O-N 2.86Å; K390-G392 VanDerWaalsContact C-N 3.26Å; K390-G392 PolarHBondContact O-N 3.18Å
391F92.6Very high90.7Very high2 Ų241.8 Ų41.81%0.00922%0.215CC..THydrogen-bonded Turntrans-90.420.5171-76.7-114.6000112.7L318 I321 L329 L339 L387 R388 K389 G393 V395 F417L318-F391 HydrophobicContact CD2-CD2 4.18Å; L318-F391 HydrophobicContact CD2-CE2 3.82Å; L318-F391 HydrophobicContact CD2-CZ 4.22Å; I321-F391 VanDerWaalsContact CG2-CA 3.47Å; I321-F391 HydrophobicContact CG2-CB 4.24Å; I321-F391 HydrophobicContact CG2-CG 4.5Å; L329-F391 HydrophobicContact CD2-CD1 3.78Å; L329-F391 HydrophobicContact CD2-CE1 3.77Å; L339-F391 HydrophobicContact CD1-CE1 4.14Å; L339-F391 HydrophobicContact CD1-CZ 3.52Å; L339-F391 HydrophobicContact CD2-CE2 4.3Å; L339-F391 HydrophobicContact CD2-CZ 4.06Å; L339-F391 HydrophobicContact CG-CZ 4.26Å; L387-F391 HydrophobicContact CD1-CD2 4.11Å; L387-F391 HydrophobicContact CD1-CE2 3.6Å; L387-F391 HydrophobicContact CG-CD2 4.42Å; L387-F391 HydrophobicContact CG-CE2 4.27Å; L387-F391 VanDerWaalsContact O-CD2 3.24Å; L387-F391 WeakPolarHBondContact O-CD2 3.42Å; L387-F391 PolarHBondContact O-N 2.94Å; L387-F391 VanDerWaalsContact O-N 3.1Å; R388-F391 CarbonylContact O-C 3.37Å; R388-F391 PolarHBondContact O-N 3.24Å; K389-F391 PolarHBondContact O-N 3.34Å; F391-G393 PolarHBondContact O-N 3.41Å; F391-G393 VanDerWaalsContact O-N 3.15Å; F391-V395 HydrophobicContact CB-CG2 4.27Å; F391-V395 WeakPolarHBondContact O-CG2 3.31Å; F391-F417 HydrophobicContact CB-CE1 3.99Å; F391-F417 AromaticContact CD1-CE1 3.7Å; F391-F417 HydrophobicContact CD1-CE1 3.7Å; F391-F417 AromaticContact CD1-CZ 3.79Å; F391-F417 HydrophobicContact CD1-CZ 3.79Å; F391-F417 HydrophobicContact CD2-CE1 4.08Å; F391-F417 AromaticContact CD2-CZ 3.91Å; F391-F417 HydrophobicContact CD2-CZ 3.91Å; F391-F417 HydrophobicContact CE1-CE1 4.13Å; F391-F417 AromaticContact CE1-CZ 3.72Å; F391-F417 HydrophobicContact CE1-CZ 3.72Å; F391-F417 HydrophobicContact CE2-CE1 4.47Å; F391-F417 AromaticContact CE2-CZ 3.85Å; F391-F417 HydrophobicContact CE2-CZ 3.85Å; F391-F417 AromaticContact CG-CE1 3.65Å; F391-F417 HydrophobicContact CG-CE1 3.65Å; F391-F417 AromaticContact CG-CZ 3.86Å; F391-F417 HydrophobicContact CG-CZ 3.86Å; F391-F417 HydrophobicContact CZ-CE1 4.46Å; F391-F417 AromaticContact CZ-CZ 3.73Å; F391-F417 HydrophobicContact CZ-CZ 3.73Å
392G92.6Very high90.1Very high6 Ų640.5 Ų40.56%0.06221%0.209CC..THydrogen-bonded Turntrans74.1-0.7178.100000115.8R325 R388 K389 K390 R394R325-G392 WeakPolarHBondContact CG-O 3.24Å; R325-G392 PolarHBondContact NE-O 3.24Å; R388-G392 PolarHBondContact O-N 2.88Å; K389-G392 WeakPolarHBondContact O-CA 3.42Å; K389-G392 PolarHBondContact O-N 3.48Å; K390-G392 VanDerWaalsContact C-N 3.26Å; K390-G392 PolarHBondContact O-N 3.18Å; G392-R394 PolarHBondContact O-N 2.71Å; G392-R394 VanDerWaalsContact O-N 3.14Å
393G91.7Very high89.6Confident32 Ų3236.7 Ų36.733%0.3320%0.196SC..THydrogen-bonded Turntrans70.26.417100000116.2R388 F391R388-G393 VanDerWaalsContact O-CA 3.29Å; R388-G393 WeakPolarHBondContact O-CA 3.33Å; R388-G393 PolarHBondContact O-N 2.83Å; F391-G393 PolarHBondContact O-N 3.41Å; F391-G393 VanDerWaalsContact O-N 3.15Å
394R92.5Very high88.9Confident54 Ų5439.1 Ų39.120%0.20421%0.213CC..THydrogen-bonded Turntrans-115.7-13.1-179.9-69.9-176.469.2-167.4-0.1114.4R325 P326 G392 C396R325-R394 HydrophobicContact CB-CG 4.43Å; P326-R394 CarbonylContact O-C 3.14Å; P326-R394 WeakPolarHBondContact O-CB 3.33Å; G392-R394 PolarHBondContact O-N 2.71Å; G392-R394 VanDerWaalsContact O-N 3.14Å; R394-C396 PolarHBondContact O-N 2.7Å; R394-C396 VanDerWaalsContact O-N 3.08Å
395V93.8Very high88.2Confident13 Ų1339.6 Ų39.68%0.07922%0.215CC..  trans-55.3116177.9177.40000109.9A11 P326 T327 L329 F391 C397 L398 F417A11-V395 WeakPolarHBondContact CB-O 2.89Å; P326-V395 HydrophobicContact CG-CG2 4.08Å; P326-V395 PolarHBondContact O-N 3.33Å; P326-V395 VanDerWaalsContact O-N 3.17Å; T327-V395 CarbonylContact O-C 3.56Å; T327-V395 WeakPolarHBondContact O-CA 3.38Å; L329-V395 HydrophobicContact CB-CG1 4.41Å; L329-V395 HydrophobicContact CB-CG2 4.41Å; F391-V395 HydrophobicContact CB-CG2 4.27Å; F391-V395 WeakPolarHBondContact O-CG2 3.31Å; V395-C397 WeakPolarHBondContact CG1-O 3.29Å; V395-L398 HydrophobicContact CG1-CD2 3.77Å; V395-F417 HydrophobicContact CG1-CD1 4.41Å
396C92Very high87.5Confident1 Ų139.9 Ų39.91%0.00721%0.214CC..  trans-106-18.5-178.275.80000113.2A11 F16 T327 R394 P419A11-C396 HydrophobicContact CB-CB 4.15Å; F16-C396 VanDerWaalsContact CE2-SG 3.55Å; T327-C396 PolarHBondContact O-N 2.92Å; T327-C396 PolarHBondContact O-SG 2.68Å; R394-C396 PolarHBondContact O-N 2.7Å; R394-C396 VanDerWaalsContact O-N 3.08Å; C396-P419 WeakPolarHBondContact O-CD 3.19Å
397C92.7Very high87Confident2 Ų234.2 Ų34.21%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-150.8155.3170.963.20000110.6F275 L329 V395 P419 F421F275-C397 HydrophobicContact CD1-CB 3.8Å; F275-C397 HydrophobicContact CE1-CB 4.01Å; L329-C397 PolarHBondContact N-O 2.79Å; V395-C397 WeakPolarHBondContact CG1-O 3.29Å; C397-P419 VanDerWaalsContact CA-O 3.31Å; C397-P419 WeakPolarHBondContact CA-O 3.44Å; C397-P419 HydrophobicContact CB-CB 4.22Å; C397-F421 HydrophobicContact CB-CD2 3.95Å; C397-F421 HydrophobicContact CB-CE2 3.75Å
398L94Very high86.5Confident1 Ų136.8 Ų36.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-105.4146.7163.4-59.8-179.4000109.1L329 V331 V395 A413 F417 P419 I420 F421L329-L398 HydrophobicContact CB-CD2 3.88Å; L329-L398 HydrophobicContact CD2-CD2 4.41Å; L329-L398 WeakPolarHBondContact O-CA 3.49Å; V331-L398 HydrophobicContact CG1-CD2 4.42Å; V331-L398 HydrophobicContact CG2-CB 4.19Å; V331-L398 HydrophobicContact CG2-CD1 4.4Å; V395-L398 HydrophobicContact CG1-CD2 3.77Å; L398-A413 HydrophobicContact CD1-CB 4.16Å; L398-F417 HydrophobicContact CD1-CB 4.11Å; L398-F417 HydrophobicContact CD1-CD2 3.61Å; L398-F417 HydrophobicContact CD1-CE2 4.23Å; L398-F417 HydrophobicContact CD1-CG 3.94Å; L398-F417 HydrophobicContact CG-CB 4.15Å; L398-F417 HydrophobicContact CG-CD2 4.42Å; L398-F417 HydrophobicContact CG-CG 4.26Å; L398-P419 PolarHBondContact N-O 2.92Å; L398-P419 VanDerWaalsContact N-O 3.15Å; L398-I420 HydrophobicContact CB-CG1 4.28Å; L398-I420 HydrophobicContact CB-CG2 4.46Å; L398-I420 HydrophobicContact CD1-CD1 4.35Å; L398-I420 WeakPolarHBondContact O-CA 3.41Å; L398-F421 PolarHBondContact O-N 3.23Å
399V94.2Very high86.1Confident40 Ų4035.5 Ų35.524%0.24220%0.203CC..EExtended strand (participates in β ladder)trans-119.6126.9171.1-174.50000107.7L329 V330 V331 F421L329-V399 PolarHBondContact O-N 3.42Å; V330-V399 CarbonylContact C-O 3.59Å; V330-V399 WeakPolarHBondContact CA-O 3.34Å; V330-V399 HydrophobicContact CG2-CB 4.37Å; V331-V399 PolarHBondContact N-O 3.1Å; V399-F421 CarbonylContact C-O 3.53Å; V399-F421 WeakPolarHBondContact CA-O 3.39Å; V399-F421 HydrophobicContact CG1-CB 4.36Å; V399-F421 HydrophobicContact CG2-CB 4.27Å; V399-F421 HydrophobicContact CG2-CD2 4.35Å
400T90.8Very high86Confident3 Ų328.6 Ų28.62%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-128.8152.6179.7-178.50000110.5V331 L405 I420 F421 E422 G423V331-T400 VanDerWaalsContact O-CA 3.32Å; V331-T400 WeakPolarHBondContact O-CA 3.34Å; V331-T400 WeakPolarHBondContact O-CB 3.47Å; V331-T400 PolarHBondContact O-OG1 3.09Å; T400-L405 HydrophobicContact CG2-CD2 4.31Å; T400-I420 HydrophobicContact CG2-CG2 4.04Å; T400-F421 PolarHBondContact N-O 3.14Å; T400-E422 HydrophobicContact CG2-CB 4.04Å; T400-E422 HydrophobicContact CG2-CG 3.58Å; T400-E422 WeakPolarHBondContact O-CA 3.34Å; T400-G423 PolarHBondContact O-N 2.73Å
401G84.9Confident86Confident8 Ų828.7 Ų28.78%0.08217%0.174CC..  trans-177.4-160.8-179.300000109.4A403G401-A403 PolarHBondContact O-N 2.8Å
402S72.5Confident85.9Confident47 Ų4728.7 Ų28.733%0.32917%0.174SC..SBendtrans64.5-28-177.2-53.40000115.8H290 M292 K647H290-S402 PolarHBondContact CE1-OG 3.02Å; M292-S402 PolarHBondContact SD-OG 3.36Å; S402-K647 WeakPolarHBondContact O-CE 3.38Å; S402-K647 PolarHBondContact O-NZ 3.3Å
403A73.9Confident85.8Confident39 Ų3928.4 Ų28.432%0.32217%0.171SC..SBendtrans-153158174.600000111.2P333 G401P333-A403 HydrophobicContact CG-CB 4.03Å; P333-A403 WeakPolarHBondContact CG-O 3.48Å; G401-A403 PolarHBondContact O-N 2.8Å
404P73Confident85.8Confident69 Ų6927 Ų2745%0.44816%0.156SC..PPolyproline II helixtrans-60.1139.8176.8-2434.3000112.8M542P404-M542 HydrophobicContact CB-CE 4.11Å; P404-M542 HydrophobicContact CB-SD 3.98Å
405L75.1Confident85.8Confident11 Ų1124.4 Ų24.46%0.05815%0.146CC..PPolyproline II helixtrans-89.8129.1171.4-169.761.3000110.1P333 L336 T400 L409 E422P333-L405 HydrophobicContact CB-CD1 4.34Å; P333-L405 HydrophobicContact CG-CD1 4.5Å; L336-L405 HydrophobicContact CD2-CD1 3.75Å; L336-L405 HydrophobicContact CD2-CD2 4.41Å; T400-L405 HydrophobicContact CG2-CD2 4.31Å; L405-L409 HydrophobicContact CD1-CB 3.59Å; L405-L409 HydrophobicContact CD1-CD1 4.17Å; L405-L409 HydrophobicContact CG-CB 4.16Å; L405-E422 WeakPolarHBondContact CB-OE2 3.34Å
406S75.7Confident85.6Confident28 Ų2823.8 Ų23.820%0.19614%0.142CC..PPolyproline II helixtrans-66.1148.2177.284.60000110.8E408 L409 S410S406-E408 PolarHBondContact O-N 2.99Å; S406-E408 VanDerWaalsContact O-N 3.08Å; S406-L409 PolarHBondContact O-N 3.34Å; S406-L409 VanDerWaalsContact O-N 3.13Å; S406-L409 VanDerWaalsContact OG-CG 3.3Å; S406-L409 WeakPolarHBondContact OG-CG 3.23Å; S406-L409 PolarHBondContact OG-N 3.16Å; S406-S410 WeakPolarHBondContact O-CB 3.39Å; S406-S410 PolarHBondContact O-N 3.47Å
407P78.6Confident85.5Confident63 Ų6324.1 Ų24.141%0.40914%0.144SC..Hα-helixtrans-57-28.8179.1-27.735.1000113.9K411P407-K411 WeakPolarHBondContact O-CB 3.26Å; P407-K411 WeakPolarHBondContact O-CD 3.37Å; P407-K411 WeakPolarHBondContact O-CG 3.16Å; P407-K411 PolarHBondContact O-N 3.33Å; P407-K411 VanDerWaalsContact O-N 3.14Å
408E81.8Confident85.2Confident73 Ų7324 Ų2434%0.34114%0.143SC..Hα-helixtrans-74.8-45.3177.4-177.7173.4-161.700112Y340 S406 S410 K411 F412 Y546Y340-E408 HydrophobicContact CE1-CG 4.14Å; Y340-E408 VanDerWaalsContact OH-CD 3.26Å; Y340-E408 WeakPolarHBondContact OH-CG 3.36Å; Y340-E408 PolarHBondContact OH-OE1 3.27Å; S406-E408 PolarHBondContact O-N 2.99Å; S406-E408 VanDerWaalsContact O-N 3.08Å; E408-S410 VanDerWaalsContact C-N 3.32Å; E408-S410 PolarHBondContact O-N 2.96Å; E408-K411 PolarHBondContact O-N 3.33Å; E408-F412 WeakPolarHBondContact O-CB 3.21Å; E408-F412 PolarHBondContact O-N 3.18Å; E408-Y546 HydrophobicContact CB-CE1 3.94Å; E408-Y546 WeakPolarHBondContact CB-OH 3.31Å; E408-Y546 PolarHBondContact N-OH 2.77Å; E408-Y546 WeakPolarHBondContact OE2-CE1 3.24Å
409L83.5Confident85Confident14 Ų1424.1 Ų24.17%0.07314%0.144CC..Hα-helixtrans-64.2-40.5176.5-66.4174.9000111.2Y340 L405 S406 F412 A413Y340-L409 VanDerWaalsContact CB-CD2 3.41Å; Y340-L409 HydrophobicContact CD1-CD2 3.66Å; Y340-L409 HydrophobicContact CD2-CD2 4.32Å; Y340-L409 HydrophobicContact CG-CD2 3.53Å; L405-L409 HydrophobicContact CD1-CB 3.59Å; L405-L409 HydrophobicContact CD1-CD1 4.17Å; L405-L409 HydrophobicContact CG-CB 4.16Å; S406-L409 PolarHBondContact O-N 3.34Å; S406-L409 VanDerWaalsContact O-N 3.13Å; S406-L409 VanDerWaalsContact OG-CG 3.3Å; S406-L409 WeakPolarHBondContact OG-CG 3.23Å; S406-L409 PolarHBondContact OG-N 3.16Å; L409-F412 PolarHBondContact O-N 2.9Å; L409-A413 VanDerWaalsContact O-CB 3.22Å; L409-A413 WeakPolarHBondContact O-CB 3.18Å; L409-A413 PolarHBondContact O-N 3.45Å
410S88.4Confident84.9Confident2 Ų222.5 Ų22.51%0.01413%0.134CC..Hα-helixtrans-59.5-49.4174.6-1740000111.1S406 E408 F412 A413 H414 E422 L443S406-S410 WeakPolarHBondContact O-CB 3.39Å; S406-S410 PolarHBondContact O-N 3.47Å; E408-S410 VanDerWaalsContact C-N 3.32Å; E408-S410 PolarHBondContact O-N 2.96Å; S410-F412 PolarHBondContact O-N 3.18Å; S410-A413 PolarHBondContact O-N 3.23Å; S410-H414 WeakPolarHBondContact O-CB 3.33Å; S410-H414 PolarHBondContact O-CD2 2.95Å; S410-H414 VanDerWaalsContact O-CD2 3.27Å; S410-H414 PolarHBondContact O-N 3.4Å; S410-E422 PolarHBondContact OG-OE1 3.25Å; S410-L443 WeakPolarHBondContact OG-CD2 3.15Å
411K91.2Very high85.1Confident95 Ų9522.6 Ų22.641%0.41313%0.134SC..Hα-helixtrans-58.2-46.2175.5-73.1169.2-171.6173.80112.9V361 L365 P407 E408 A415 L443V361-K411 HydrophobicContact CG1-CB 4.22Å; L365-K411 HydrophobicContact CD1-CB 4.1Å; L365-K411 HydrophobicContact CD1-CD 4.37Å; L365-K411 HydrophobicContact CD1-CG 3.74Å; P407-K411 WeakPolarHBondContact O-CB 3.26Å; P407-K411 WeakPolarHBondContact O-CD 3.37Å; P407-K411 WeakPolarHBondContact O-CG 3.16Å; P407-K411 PolarHBondContact O-N 3.33Å; P407-K411 VanDerWaalsContact O-N 3.14Å; E408-K411 PolarHBondContact O-N 3.33Å; K411-A415 VanDerWaalsContact O-CB 3.27Å; K411-A415 WeakPolarHBondContact O-CB 3.31Å; K411-A415 PolarHBondContact O-N 3.09Å; K411-L443 HydrophobicContact CG-CD1 3.55Å
412F91.1Very high85.5Confident1 Ų123 Ų230%0.00413%0.133CC..Hα-helixtrans-60.1-50.8178.4163.5-109.5000111L336 Y340 Y343 Y357 F384 L387 E408 L409 S410 A415 A416L336-F412 HydrophobicContact CD1-CD1 4.47Å; L336-F412 HydrophobicContact CD1-CE1 4.3Å; Y340-F412 HydrophobicContact CD2-CB 3.81Å; Y340-F412 AromaticContact CD2-CD1 3.58Å; Y340-F412 HydrophobicContact CD2-CD1 3.58Å; Y340-F412 AromaticContact CD2-CD2 3.8Å; Y340-F412 HydrophobicContact CD2-CD2 3.8Å; Y340-F412 HydrophobicContact CD2-CE1 4.02Å; Y340-F412 HydrophobicContact CD2-CE2 4.21Å; Y340-F412 AromaticContact CD2-CG 3.43Å; Y340-F412 HydrophobicContact CD2-CG 3.43Å; Y340-F412 VanDerWaalsContact CD2-CG 3.43Å; Y340-F412 HydrophobicContact CD2-CZ 4.3Å; Y340-F412 HydrophobicContact CE2-CB 3.82Å; Y340-F412 HydrophobicContact CE2-CD1 4.42Å; Y340-F412 HydrophobicContact CE2-CD2 4.04Å; Y340-F412 AromaticContact CE2-CG 3.84Å; Y340-F412 HydrophobicContact CE2-CG 3.84Å; Y340-F412 HydrophobicContact CG-CD1 4.33Å; Y343-F412 HydrophobicContact CD1-CD2 4.44Å; Y343-F412 AromaticContact CD1-CE2 3.55Å; Y343-F412 HydrophobicContact CD1-CE2 3.55Å; Y343-F412 HydrophobicContact CD1-CZ 4.13Å; Y343-F412 AromaticContact CE1-CE2 3.87Å; Y343-F412 HydrophobicContact CE1-CE2 3.87Å; Y343-F412 HydrophobicContact CG-CE2 4.03Å; Y343-F412 HydrophobicContact CG-CZ 4.18Å; Y357-F412 HydrophobicContact CE2-CD2 4.23Å; F384-F412 HydrophobicContact CE1-CD2 4.25Å; F384-F412 HydrophobicContact CE1-CE2 4.01Å; L387-F412 HydrophobicContact CD2-CE2 4.01Å; L387-F412 HydrophobicContact CD2-CZ 3.6Å; E408-F412 WeakPolarHBondContact O-CB 3.21Å; E408-F412 PolarHBondContact O-N 3.18Å; L409-F412 PolarHBondContact O-N 2.9Å; S410-F412 PolarHBondContact O-N 3.18Å; F412-A415 PolarHBondContact O-N 3.16Å; F412-A416 HydrophobicContact CE2-CB 4.28Å; F412-A416 VanDerWaalsContact O-CB 3.27Å; F412-A416 WeakPolarHBondContact O-CB 3.47Å; F412-A416 PolarHBondContact O-N 3.46Å
413A91.4Very high86.5Confident0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-66.2-44.6-175.200000111L336 L398 L409 S410 A415 A416 F417 I420L336-A413 HydrophobicContact CD1-CB 4.28Å; L336-A413 HydrophobicContact CD2-CB 3.89Å; L398-A413 HydrophobicContact CD1-CB 4.16Å; L409-A413 VanDerWaalsContact O-CB 3.22Å; L409-A413 WeakPolarHBondContact O-CB 3.18Å; L409-A413 PolarHBondContact O-N 3.45Å; S410-A413 PolarHBondContact O-N 3.23Å; A413-A415 VanDerWaalsContact C-N 3.31Å; A413-A415 PolarHBondContact O-N 3.3Å; A413-A416 PolarHBondContact O-N 3.37Å; A413-F417 PolarHBondContact O-N 2.8Å; A413-I420 HydrophobicContact CB-CD1 3.19Å
414H91.6Very high87.5Confident3 Ų320.7 Ų20.71%0.01411%0.114CC..Hα-helixtrans-57.4-45.2173.8-89.9-90.6000110.8L365 Q368 S410 G418 I420L365-H414 HydrophobicContact CD2-CB 3.88Å; Q368-H414 PolarHBondContact NE2-O 2.85Å; Q368-H414 PolarHBondContact OE1-ND1 3.23Å; S410-H414 WeakPolarHBondContact O-CB 3.33Å; S410-H414 PolarHBondContact O-CD2 2.95Å; S410-H414 VanDerWaalsContact O-CD2 3.27Å; S410-H414 PolarHBondContact O-N 3.4Å; H414-G418 WeakPolarHBondContact O-CA 3.38Å; H414-G418 PolarHBondContact O-N 3.34Å; H414-I420 VanDerWaalsContact N-CD1 3.31Å
415A91.3Very high88.5Confident0 Ų018.5 Ų18.50%010%0.104CC..Hα-helixtrans-67.5-38.418000000113.3V361 K364 H375 F384 K411 F412 A413V361-A415 HydrophobicContact CB-CB 4.2Å; V361-A415 HydrophobicContact CG1-CB 4.13Å; V361-A415 HydrophobicContact CG2-CB 3.91Å; K364-A415 HydrophobicContact CB-CB 3.89Å; K364-A415 HydrophobicContact CG-CB 4.17Å; H375-A415 PolarHBondContact CE1-O 2.92Å; H375-A415 VanDerWaalsContact CE1-O 3.29Å; F384-A415 HydrophobicContact CE2-CB 4.16Å; F384-A415 HydrophobicContact CZ-CB 4.14Å; K411-A415 VanDerWaalsContact O-CB 3.27Å; K411-A415 WeakPolarHBondContact O-CB 3.31Å; K411-A415 PolarHBondContact O-N 3.09Å; F412-A415 PolarHBondContact O-N 3.16Å; A413-A415 VanDerWaalsContact C-N 3.31Å; A413-A415 PolarHBondContact O-N 3.3Å
416A90.7Very high89.4Confident0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-80-42.4-174.800000113.4F384 L387 R388 F412 A413F384-A416 HydrophobicContact CD1-CB 3.69Å; F384-A416 HydrophobicContact CE1-CB 3.81Å; F384-A416 HydrophobicContact CG-CB 4.11Å; F384-A416 HydrophobicContact CZ-CB 4.3Å; L387-A416 HydrophobicContact CD2-CB 3.96Å; R388-A416 WeakPolarHBondContact CD-O 3.45Å; R388-A416 PolarHBondContact NH1-O 3.31Å; F412-A416 HydrophobicContact CE2-CB 4.28Å; F412-A416 VanDerWaalsContact O-CB 3.27Å; F412-A416 WeakPolarHBondContact O-CB 3.47Å; F412-A416 PolarHBondContact O-N 3.46Å; A413-A416 PolarHBondContact O-N 3.37Å
417F89.2Confident90.3Very high7 Ų718.7 Ų18.73%0.03110%0.104CC..Hα-helixtrans-115.1-19-169-61.3-79.3000114.3H375 L387 R388 F391 V395 L398 A413H375-F417 VanDerWaalsContact NE2-C 3.3Å; H375-F417 PolarHBondContact NE2-O 3.26Å; L387-F417 HydrophobicContact CD2-CE2 4.15Å; L387-F417 HydrophobicContact CD2-CZ 3.98Å; L387-F417 HydrophobicContact CG-CZ 4Å; R388-F417 HydrophobicContact CG-CD1 4.38Å; R388-F417 HydrophobicContact CG-CE1 4.35Å; F391-F417 HydrophobicContact CB-CE1 3.99Å; F391-F417 AromaticContact CD1-CE1 3.7Å; F391-F417 HydrophobicContact CD1-CE1 3.7Å; F391-F417 AromaticContact CD1-CZ 3.79Å; F391-F417 HydrophobicContact CD1-CZ 3.79Å; F391-F417 HydrophobicContact CD2-CE1 4.08Å; F391-F417 AromaticContact CD2-CZ 3.91Å; F391-F417 HydrophobicContact CD2-CZ 3.91Å; F391-F417 HydrophobicContact CE1-CE1 4.13Å; F391-F417 AromaticContact CE1-CZ 3.72Å; F391-F417 HydrophobicContact CE1-CZ 3.72Å; F391-F417 HydrophobicContact CE2-CE1 4.47Å; F391-F417 AromaticContact CE2-CZ 3.85Å; F391-F417 HydrophobicContact CE2-CZ 3.85Å; F391-F417 AromaticContact CG-CE1 3.65Å; F391-F417 HydrophobicContact CG-CE1 3.65Å; F391-F417 AromaticContact CG-CZ 3.86Å; F391-F417 HydrophobicContact CG-CZ 3.86Å; F391-F417 HydrophobicContact CZ-CE1 4.46Å; F391-F417 AromaticContact CZ-CZ 3.73Å; F391-F417 HydrophobicContact CZ-CZ 3.73Å; V395-F417 HydrophobicContact CG1-CD1 4.41Å; L398-F417 HydrophobicContact CD1-CB 4.11Å; L398-F417 HydrophobicContact CD1-CD2 3.61Å; L398-F417 HydrophobicContact CD1-CE2 4.23Å; L398-F417 HydrophobicContact CD1-CG 3.94Å; L398-F417 HydrophobicContact CG-CB 4.15Å; L398-F417 HydrophobicContact CG-CD2 4.42Å; L398-F417 HydrophobicContact CG-CG 4.26Å; A413-F417 PolarHBondContact O-N 2.8Å
418G86.7Confident91.2Very high0 Ų016.7 Ų16.70%09%0.09CC..SBendtrans94.4-120.3178.900000111.8H375 H414H375-G418 PolarHBondContact NE2-N 2.88Å; H414-G418 WeakPolarHBondContact O-CA 3.38Å; H414-G418 PolarHBondContact O-N 3.34Å
419P89.2Confident91.9Very high3 Ų313.2 Ų13.22%0.0197%0.073CC..  trans-59.9134.5-178.9-22.132.7000113.5P9 F24 F275 F373 C396 C397 L398P9-P419 HydrophobicContact CG-CG 4.02Å; F24-P419 HydrophobicContact CE1-CG 4.29Å; F24-P419 HydrophobicContact CZ-CG 3.86Å; F275-P419 HydrophobicContact CE1-CB 4.26Å; F275-P419 HydrophobicContact CE1-CG 4.34Å; F275-P419 HydrophobicContact CZ-CB 4.5Å; F373-P419 HydrophobicContact CB-CG 4.49Å; F373-P419 HydrophobicContact CD1-CG 4.13Å; C396-P419 WeakPolarHBondContact O-CD 3.19Å; C397-P419 VanDerWaalsContact CA-O 3.31Å; C397-P419 WeakPolarHBondContact CA-O 3.44Å; C397-P419 HydrophobicContact CB-CB 4.22Å; L398-P419 PolarHBondContact N-O 2.92Å; L398-P419 VanDerWaalsContact N-O 3.15Å
420I91.8Very high92.5Very high7 Ų712.6 Ų12.64%0.0367%0.07CC..EExtended strand (participates in β ladder)trans-130.5133.4172.7-57-170.4000108.9L398 T400 A413 H414 E422 T436L398-I420 HydrophobicContact CB-CG1 4.28Å; L398-I420 HydrophobicContact CB-CG2 4.46Å; L398-I420 HydrophobicContact CD1-CD1 4.35Å; L398-I420 WeakPolarHBondContact O-CA 3.41Å; T400-I420 HydrophobicContact CG2-CG2 4.04Å; A413-I420 HydrophobicContact CB-CD1 3.19Å; H414-I420 VanDerWaalsContact N-CD1 3.31Å; I420-E422 HydrophobicContact CG2-CG 4.19Å; I420-T436 PolarHBondContact O-OG1 2.98Å
421F94.8Very high92.7Very high4 Ų413.4 Ų13.42%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-103.1112.7172.8-64.1-72.2000109.3I271 F275 C397 L398 V399 T400 L435 T436 V438I271-F421 HydrophobicContact CG2-CD1 4.18Å; I271-F421 HydrophobicContact CG2-CE1 3.91Å; I271-F421 HydrophobicContact CG2-CE2 4.36Å; I271-F421 HydrophobicContact CG2-CZ 4Å; F275-F421 AromaticContact CD1-CE2 3.99Å; F275-F421 HydrophobicContact CD1-CE2 3.99Å; F275-F421 HydrophobicContact CD1-CZ 4.45Å; F275-F421 AromaticContact CD2-CE2 3.97Å; F275-F421 HydrophobicContact CD2-CE2 3.97Å; F275-F421 AromaticContact CD2-CZ 3.76Å; F275-F421 HydrophobicContact CD2-CZ 3.76Å; F275-F421 HydrophobicContact CE1-CE2 4.01Å; F275-F421 HydrophobicContact CE1-CZ 4.22Å; F275-F421 HydrophobicContact CE2-CE2 4.03Å; F275-F421 AromaticContact CE2-CZ 3.52Å; F275-F421 HydrophobicContact CE2-CZ 3.52Å; F275-F421 AromaticContact CG-CE2 3.95Å; F275-F421 HydrophobicContact CG-CE2 3.95Å; F275-F421 HydrophobicContact CG-CZ 4.22Å; F275-F421 HydrophobicContact CZ-CE2 4.02Å; F275-F421 AromaticContact CZ-CZ 3.74Å; F275-F421 HydrophobicContact CZ-CZ 3.74Å; C397-F421 HydrophobicContact CB-CD2 3.95Å; C397-F421 HydrophobicContact CB-CE2 3.75Å; L398-F421 PolarHBondContact O-N 3.23Å; V399-F421 CarbonylContact C-O 3.53Å; V399-F421 WeakPolarHBondContact CA-O 3.39Å; V399-F421 HydrophobicContact CG1-CB 4.36Å; V399-F421 HydrophobicContact CG2-CB 4.27Å; V399-F421 HydrophobicContact CG2-CD2 4.35Å; T400-F421 PolarHBondContact N-O 3.14Å; F421-L435 HydrophobicContact CB-CD1 3.95Å; F421-L435 HydrophobicContact CB-CG 4.36Å; F421-L435 HydrophobicContact CD1-CD2 4.37Å; F421-L435 HydrophobicContact CD1-CG 4.39Å; F421-T436 VanDerWaalsContact CA-OG1 3.26Å; F421-T436 WeakPolarHBondContact CA-OG1 3.46Å; F421-T436 VanDerWaalsContact CD1-O 3.27Å; F421-T436 WeakPolarHBondContact CD1-O 3.33Å; F421-V438 HydrophobicContact CE1-CG2 4.21Å; F421-V438 HydrophobicContact CZ-CG2 4.25Å
422E94.2Very high92.9Very high16 Ų169.2 Ų9.28%0.0756%0.061CC..EExtended strand (participates in β ladder)trans-99.4120.1171.4-51.5-160.1-137.600107.6T400 L405 S410 I420 T436 V446T400-E422 HydrophobicContact CG2-CB 4.04Å; T400-E422 HydrophobicContact CG2-CG 3.58Å; T400-E422 WeakPolarHBondContact O-CA 3.34Å; L405-E422 WeakPolarHBondContact CB-OE2 3.34Å; S410-E422 PolarHBondContact OG-OE1 3.25Å; I420-E422 HydrophobicContact CG2-CG 4.19Å; E422-T436 HydrophobicContact CB-CG2 4.01Å; E422-T436 PolarHBondContact N-OG1 3.05Å; E422-T436 PolarHBondContact O-N 3.36Å; E422-V446 CarbonylContact O-C 3.57Å
423G93.8Very high93.2Very high14 Ų149.2 Ų9.214%0.1446%0.061CC..EExtended strand (participates in β ladder)trans-117.6152.5179.900000112.3T400 T434T400-G423 PolarHBondContact O-N 2.73Å; G423-T434 VanDerWaalsContact CA-O 3.26Å; G423-T434 WeakPolarHBondContact CA-O 3.46Å
424Y95Very high93.5Very high24 Ų249.2 Ų9.29%0.0946%0.061CC..EExtended strand (participates in β ladder)trans-132.7145175.5166.6-96.7000111S432 I433 T434 V446 I475 T505 D507 L517 I519Y424-S432 CarbonylContact O-C 3.54Å; Y424-S432 WeakPolarHBondContact O-CA 3.38Å; Y424-I433 HydrophobicContact CD1-CD1 4.02Å; Y424-I433 HydrophobicContact CD1-CG1 3.97Å; Y424-I433 HydrophobicContact CE1-CD1 3.74Å; Y424-I433 HydrophobicContact CE1-CG1 4.22Å; Y424-I433 WeakPolarHBondContact O-CG1 3.43Å; Y424-I433 PolarHBondContact O-N 3.41Å; Y424-T434 WeakPolarHBondContact CB-OG1 3.23Å; Y424-T434 PolarHBondContact N-O 2.9Å; Y424-T434 VanDerWaalsContact N-O 3.13Å; Y424-T434 PolarHBondContact O-N 2.91Å; Y424-T434 VanDerWaalsContact O-N 3.1Å; Y424-V446 HydrophobicContact CG-CG2 4.27Å; Y424-I475 HydrophobicContact CE1-CD1 4.01Å; Y424-I475 HydrophobicContact CE1-CG2 4.24Å; Y424-T505 VanDerWaalsContact OH-CB 3.3Å; Y424-T505 WeakPolarHBondContact OH-CB 3.45Å; Y424-T505 PolarHBondContact OH-OG1 3.39Å; Y424-D507 HydrophobicContact CE2-CB 4.44Å; Y424-D507 VanDerWaalsContact CE2-OD2 3.31Å; Y424-D507 WeakPolarHBondContact CE2-OD2 3.42Å; Y424-D507 WeakPolarHBondContact OH-CB 3.41Å; Y424-D507 PolarHBondContact OH-OD2 3.4Å; Y424-L517 HydrophobicContact CD1-CD2 4.23Å; Y424-I519 HydrophobicContact CD1-CD1 3.89Å; Y424-I519 HydrophobicContact CD2-CD1 3.67Å; Y424-I519 HydrophobicContact CD2-CG1 3.93Å; Y424-I519 HydrophobicContact CE1-CD1 4.01Å; Y424-I519 HydrophobicContact CE2-CD1 3.8Å; Y424-I519 HydrophobicContact CE2-CG1 4.34Å; Y424-I519 HydrophobicContact CG-CD1 3.72Å; Y424-I519 HydrophobicContact CG-CG1 4.22Å
425G94.1Very high93.8Very high23 Ų239.6 Ų9.624%0.2376%0.063CC..  trans171.8165.8175.900000109.7G431G425-G431 WeakPolarHBondContact CA-O 3.24Å
426T93.9Very high94Very high20 Ų209.8 Ų9.812%0.1236%0.064CC..  trans-109.8172.617571.70000109.8E428 T429 G431 T505T426-E428 VanDerWaalsContact CB-OE2 3.29Å; T426-E428 WeakPolarHBondContact CB-OE2 2.91Å; T426-E428 PolarHBondContact O-N 3.36Å; T426-E428 PolarHBondContact OG1-N 2.78Å; T426-E428 PolarHBondContact OG1-OE2 2.73Å; T426-T429 PolarHBondContact N-OG1 2.92Å; T426-T429 CarbonylContact O-C 3.5Å; T426-T429 PolarHBondContact O-N 2.63Å; T426-T429 VanDerWaalsContact O-N 3.12Å; T426-T429 PolarHBondContact O-OG1 3.08Å; T426-T429 PolarHBondContact OG1-N 3.39Å; T426-G431 VanDerWaalsContact O-CA 3.25Å; T426-G431 WeakPolarHBondContact O-CA 3.26Å; T426-G431 PolarHBondContact O-N 3.37Å; T426-T505 HydrophobicContact CG2-CG2 4.4Å
427T94.4Very high94.2Very high23 Ų2310.3 Ų10.314%0.1417%0.068CC..G310 helixtrans-60.4-37.3174-54.90000111T243 V253 I255 T429 M430T243-T427 VanDerWaalsContact CG2-CB 3.45Å; T243-T427 HydrophobicContact CG2-CG2 3.62Å; T243-T427 VanDerWaalsContact CG2-OG1 3.25Å; T243-T427 WeakPolarHBondContact CG2-OG1 3.43Å; V253-T427 HydrophobicContact CB-CG2 3.88Å; V253-T427 HydrophobicContact CG1-CG2 4.14Å; V253-T427 HydrophobicContact CG2-CG2 3.79Å; I255-T427 HydrophobicContact CD1-CG2 4.46Å; T427-T429 PolarHBondContact O-N 3.22Å; T427-M430 PolarHBondContact O-N 2.62Å; T427-M430 VanDerWaalsContact O-N 3.12Å
428E96.7Very high94.4Very high22 Ų2210 Ų1010%0.1037%0.067CC..G310 helixtrans-64.4-16.6177-60.885.3169.800113.6V253 T426 S483 Y486 L496 I503V253-E428 HydrophobicContact CG1-CG 4.28Å; V253-E428 HydrophobicContact CG2-CG 3.97Å; T426-E428 VanDerWaalsContact CB-OE2 3.29Å; T426-E428 WeakPolarHBondContact CB-OE2 2.91Å; T426-E428 PolarHBondContact O-N 3.36Å; T426-E428 PolarHBondContact OG1-N 2.78Å; T426-E428 PolarHBondContact OG1-OE2 2.73Å; E428-S483 WeakPolarHBondContact O-CB 3.12Å; E428-S483 PolarHBondContact O-N 3.41Å; E428-Y486 HydrophobicContact CG-CE1 3.96Å; E428-Y486 WeakPolarHBondContact OE1-CE1 3.48Å; E428-Y486 PolarHBondContact OE1-OH 3.47Å; E428-L496 HydrophobicContact CB-CD1 4.25Å; E428-L496 HydrophobicContact CB-CD2 4.09Å; E428-L496 HydrophobicContact CG-CD1 3.92Å; E428-L496 HydrophobicContact CG-CD2 3.7Å; E428-L496 HydrophobicContact CG-CG 4.47Å; E428-I503 HydrophobicContact CB-CD1 4.22Å; E428-I503 HydrophobicContact CB-CG2 4.39Å; E428-I503 WeakPolarHBondContact O-CD1 3.48Å
429T96.8Very high94.7Very high0 Ų010.2 Ų10.20%07%0.069CC..G310 helixtrans-113.328.7175.270.70000112T426 T427 G431 I433 A477 Q481 I503T426-T429 PolarHBondContact N-OG1 2.92Å; T426-T429 CarbonylContact O-C 3.5Å; T426-T429 PolarHBondContact O-N 2.63Å; T426-T429 VanDerWaalsContact O-N 3.12Å; T426-T429 PolarHBondContact O-OG1 3.08Å; T426-T429 PolarHBondContact OG1-N 3.39Å; T427-T429 PolarHBondContact O-N 3.22Å; T429-G431 PolarHBondContact O-N 2.76Å; T429-G431 VanDerWaalsContact O-N 3.16Å; T429-I433 VanDerWaalsContact CB-CG2 3.45Å; T429-I433 HydrophobicContact CG2-CD1 4.48Å; T429-I433 HydrophobicContact CG2-CG2 4.06Å; T429-A477 HydrophobicContact CG2-CB 4.06Å; T429-Q481 CarbonylContact C-O 3.5Å; T429-Q481 WeakPolarHBondContact CA-O 3.5Å; T429-I503 HydrophobicContact CG2-CD1 4.35Å; T429-I503 HydrophobicContact CG2-CG2 4.09Å
430M96.7Very high94.9Very high1 Ų110.3 Ų10.31%0.0057%0.069CC..THydrogen-bonded Turntrans49.444.1-175.5-167.163.1-157.400112.1I255 E259 V260 T263 I291 I295 T427 S432 Q481I255-M430 HydrophobicContact CD1-SD 4.3Å; I255-M430 HydrophobicContact CG1-SD 4.34Å; I255-M430 HydrophobicContact CG2-CE 4.4Å; I255-M430 HydrophobicContact CG2-SD 3.46Å; I255-M430 WeakPolarHBondContact CG2-SD 3.34Å; E259-M430 HydrophobicContact CB-CB 4.42Å; V260-M430 HydrophobicContact CB-CE 4.07Å; V260-M430 HydrophobicContact CG1-CE 3.96Å; V260-M430 HydrophobicContact CG2-CE 3.54Å; V260-M430 HydrophobicContact CG2-SD 3.87Å; T263-M430 HydrophobicContact CG2-CB 4.48Å; T263-M430 HydrophobicContact CG2-CG 4.07Å; T263-M430 WeakPolarHBondContact CG2-O 3.38Å; T263-M430 VanDerWaalsContact OG1-CB 3.31Å; T263-M430 WeakPolarHBondContact OG1-CB 3.5Å; T263-M430 WeakPolarHBondContact OG1-CG 3.35Å; I291-M430 HydrophobicContact CD1-CE 3.47Å; I291-M430 VanDerWaalsContact CD1-CE 3.47Å; I291-M430 HydrophobicContact CD1-SD 3.57Å; I291-M430 VanDerWaalsContact CD1-SD 3.57Å; I291-M430 HydrophobicContact CG1-CE 4Å; I291-M430 HydrophobicContact CG1-SD 3.96Å; I295-M430 WeakPolarHBondContact CD1-O 3.19Å; I295-M430 HydrophobicContact CG1-CE 3.8Å; T427-M430 PolarHBondContact O-N 2.62Å; T427-M430 VanDerWaalsContact O-N 3.12Å; M430-S432 PolarHBondContact O-N 3.35Å; M430-Q481 HydrophobicContact CB-CB 4.43Å; M430-Q481 WeakPolarHBondContact CB-O 3.47Å; M430-Q481 PolarHBondContact N-O 2.86Å
431G92.8Very high94.9Very high18 Ų1812.7 Ų12.719%0.1868%0.078CC..THydrogen-bonded Turntrans72.1-18.3169.700000118.3G425 T426 T429G425-G431 WeakPolarHBondContact CA-O 3.24Å; T426-G431 VanDerWaalsContact O-CA 3.25Å; T426-G431 WeakPolarHBondContact O-CA 3.26Å; T426-G431 PolarHBondContact O-N 3.37Å; T429-G431 PolarHBondContact O-N 2.76Å; T429-G431 VanDerWaalsContact O-N 3.16Å
432S95.3Very high94.7Very high8 Ų814.1 Ų14.16%0.0568%0.083CC..  trans-151.3129.6178.2-165.20000113.1Y424 M430 T434 L450Y424-S432 CarbonylContact O-C 3.54Å; Y424-S432 WeakPolarHBondContact O-CA 3.38Å; M430-S432 PolarHBondContact O-N 3.35Å; S432-T434 PolarHBondContact OG-O 3Å; S432-L450 WeakPolarHBondContact O-CD1 3.49Å
433I97.1Very high94.5Very high0 Ų016 Ų160%09%0.094CC..SBendtrans-129.2-15.817456.7179.7000112.1Y424 T429 L450 V453 L455 I475 A477Y424-I433 HydrophobicContact CD1-CD1 4.02Å; Y424-I433 HydrophobicContact CD1-CG1 3.97Å; Y424-I433 HydrophobicContact CE1-CD1 3.74Å; Y424-I433 HydrophobicContact CE1-CG1 4.22Å; Y424-I433 WeakPolarHBondContact O-CG1 3.43Å; Y424-I433 PolarHBondContact O-N 3.41Å; T429-I433 VanDerWaalsContact CB-CG2 3.45Å; T429-I433 HydrophobicContact CG2-CD1 4.48Å; T429-I433 HydrophobicContact CG2-CG2 4.06Å; I433-L450 WeakPolarHBondContact O-CG 3.44Å; I433-L450 PolarHBondContact O-N 3.35Å; I433-V453 HydrophobicContact CB-CG1 4.25Å; I433-V453 HydrophobicContact CB-CG2 4.39Å; I433-V453 HydrophobicContact CG2-CG2 4.05Å; I433-L455 HydrophobicContact CB-CD2 4.16Å; I433-L455 HydrophobicContact CD1-CD1 4.33Å; I433-L455 HydrophobicContact CD1-CD2 3.66Å; I433-L455 HydrophobicContact CG1-CD1 4.38Å; I433-L455 HydrophobicContact CG1-CD2 4.23Å; I433-I475 HydrophobicContact CD1-CG2 4.49Å; I433-A477 HydrophobicContact CD1-CB 3.96Å; I433-A477 HydrophobicContact CG2-CB 4.44Å
434T97.7Very high94.1Very high0 Ų017.4 Ų17.40%011%0.107CC..EExtended strand (participates in β ladder)trans-131.8154.1167.472.20000112.1G423 Y424 S432 V446 G448 L455 L517G423-T434 VanDerWaalsContact CA-O 3.26Å; G423-T434 WeakPolarHBondContact CA-O 3.46Å; Y424-T434 WeakPolarHBondContact CB-OG1 3.23Å; Y424-T434 PolarHBondContact N-O 2.9Å; Y424-T434 VanDerWaalsContact N-O 3.13Å; Y424-T434 PolarHBondContact O-N 2.91Å; Y424-T434 VanDerWaalsContact O-N 3.1Å; S432-T434 PolarHBondContact OG-O 3Å; T434-V446 CarbonylContact C-O 3.5Å; T434-V446 VanDerWaalsContact CB-O 3.27Å; T434-V446 WeakPolarHBondContact CB-O 3.38Å; T434-V446 WeakPolarHBondContact OG1-CG2 3.29Å; T434-V446 PolarHBondContact OG1-O 3.43Å; T434-G448 CarbonylContact C-O 3.46Å; T434-G448 WeakPolarHBondContact CA-O 3.31Å; T434-G448 WeakPolarHBondContact CB-O 3.5Å; T434-L455 HydrophobicContact CG2-CD1 3.42Å; T434-L455 VanDerWaalsContact CG2-CD1 3.42Å; T434-L517 HydrophobicContact CG2-CB 4.22Å; T434-L517 HydrophobicContact CG2-CD2 3.85Å
435L97.2Very high94.1Very high12 Ų1216.7 Ų16.76%0.06311%0.106CC..EExtended strand (participates in β ladder)trans-150.7140.2172-168.472.5000110.6L267 I271 F421 V446 G447 G448 L450L267-L435 HydrophobicContact CD2-CD2 3.99Å; I271-L435 HydrophobicContact CG2-CD2 3.73Å; F421-L435 HydrophobicContact CB-CD1 3.95Å; F421-L435 HydrophobicContact CB-CG 4.36Å; F421-L435 HydrophobicContact CD1-CD2 4.37Å; F421-L435 HydrophobicContact CD1-CG 4.39Å; L435-V446 CarbonylContact C-O 3.57Å; L435-V446 WeakPolarHBondContact CA-O 3.35Å; L435-V446 PolarHBondContact N-O 2.99Å; L435-G447 WeakPolarHBondContact O-CA 3.46Å; L435-G448 PolarHBondContact N-O 2.77Å; L435-G448 PolarHBondContact O-N 3.35Å; L435-L450 HydrophobicContact CB-CD2 3.69Å
436T95.9Very high94.1Very high4 Ų416.6 Ų16.63%0.02510%0.101CC..PPolyproline II helixtrans-61.7141.3173.854.90000111.6I420 F421 E422 E440 T445I420-T436 PolarHBondContact O-OG1 2.98Å; F421-T436 VanDerWaalsContact CA-OG1 3.26Å; F421-T436 WeakPolarHBondContact CA-OG1 3.46Å; F421-T436 VanDerWaalsContact CD1-O 3.27Å; F421-T436 WeakPolarHBondContact CD1-O 3.33Å; E422-T436 HydrophobicContact CB-CG2 4.01Å; E422-T436 PolarHBondContact N-OG1 3.05Å; E422-T436 PolarHBondContact O-N 3.36Å; T436-E440 HydrophobicContact CG2-CG 4.15Å; T436-T445 WeakPolarHBondContact CG2-O 3.48Å
437S95Very high94.1Very high11 Ų1115.7 Ų15.78%0.07710%0.095CC..PPolyproline II helixtrans-72.4158.6-176.9-54.10000112.8Q32 G439 E440Q32-S437 WeakPolarHBondContact CG-OG 3.37Å; Q32-S437 PolarHBondContact OE1-OG 3.49Å; S437-G439 PolarHBondContact O-N 3.18Å; S437-G439 VanDerWaalsContact O-N 3.09Å; S437-E440 VanDerWaalsContact O-CB 3.31Å; S437-E440 WeakPolarHBondContact O-CB 3.4Å; S437-E440 PolarHBondContact O-N 3.49Å
438V93.9Very high94.2Very high0 Ų014.8 Ų14.80%09%0.09CC..THydrogen-bonded Turntrans-59.4117.9174-174.90000110.6F24 S26 K274 F275 F421F24-V438 HydrophobicContact CZ-CG1 4.45Å; F24-V438 WeakPolarHBondContact O-CG1 3.18Å; S26-V438 WeakPolarHBondContact CB-O 3.44Å; S26-V438 PolarHBondContact N-O 2.98Å; K274-V438 HydrophobicContact CD-CG1 4.19Å; K274-V438 HydrophobicContact CD-CG2 4.47Å; F275-V438 HydrophobicContact CE2-CB 4.39Å; F275-V438 HydrophobicContact CE2-CG1 3.65Å; F275-V438 HydrophobicContact CE2-CG2 3.86Å; F275-V438 HydrophobicContact CZ-CG1 3.96Å; F421-V438 HydrophobicContact CE1-CG2 4.21Å; F421-V438 HydrophobicContact CZ-CG2 4.25Å
439G92.3Very high94.3Very high4 Ų413.8 Ų13.84%0.0419%0.086CC..THydrogen-bonded Turntrans92.212.2-177.600000114.6F373 S437 Y441F373-G439 WeakPolarHBondContact CZ-O 3.45Å; S437-G439 PolarHBondContact O-N 3.18Å; S437-G439 VanDerWaalsContact O-N 3.09Å; G439-Y441 PolarHBondContact O-N 3.32Å
440E93.6Very high94.3Very high5 Ų513.8 Ų13.82%0.0239%0.086CC..  trans-60.9129171.5-172.954.5-84.100111.2L29 Q32 T436 S437 R442L29-E440 HydrophobicContact CD1-CB 4.12Å; Q32-E440 PolarHBondContact NE2-OE2 2.74Å; T436-E440 HydrophobicContact CG2-CG 4.15Å; S437-E440 VanDerWaalsContact O-CB 3.31Å; S437-E440 WeakPolarHBondContact O-CB 3.4Å; S437-E440 PolarHBondContact O-N 3.49Å; E440-R442 VanDerWaalsContact OE1-CB 3.24Å; E440-R442 WeakPolarHBondContact OE1-CB 3.32Å; E440-R442 IonicContact OE1-CZ 3.82Å; E440-R442 PolarHBondContact OE1-N 3.39Å; E440-R442 IonicContact OE1-NE 3.87Å; E440-R442 PolarHBondContact OE1-NE 3.07Å; E440-R442 IonicContact OE1-NH2 2.84Å; E440-R442 PolarHBondContact OE1-NH2 2.99Å; E440-R442 IonicContact OE2-CZ 3.82Å; E440-R442 IonicContact OE2-NE 3.83Å; E440-R442 PolarHBondContact OE2-NE 3.04Å; E440-R442 VanDerWaalsContact OE2-NE 3.16Å; E440-R442 IonicContact OE2-NH2 3.93Å; E440-R442 PolarHBondContact OE2-NH2 2.97Å
441Y91.7Very high94.1Very high57 Ų5716.7 Ų16.722%0.22410%0.097CC..  trans-124-14.9-179.172.2-89000111.8K369 G439K369-Y441 HydrophobicContact CB-CD2 3.73Å; K369-Y441 HydrophobicContact CB-CE2 3.88Å; K369-Y441 HydrophobicContact CB-CG 4.31Å; K369-Y441 HydrophobicContact CD-CD2 4.47Å; K369-Y441 HydrophobicContact CD-CE2 3.87Å; K369-Y441 HydrophobicContact CG-CD2 3.95Å; K369-Y441 HydrophobicContact CG-CE2 3.53Å; G439-Y441 PolarHBondContact O-N 3.32Å
442R91.1Very high94.1Very high35 Ų3517.2 Ų17.213%0.13210%0.102CC..  trans-72.6143171.1-65.6164.8-73.1-124.8-2.4108.1L29 N30 E440 E514L29-R442 VanDerWaalsContact CD1-NH2 3.26Å; L29-R442 PolarHBondContact O-NH2 3.1Å; N30-R442 PolarHBondContact OD1-NH1 2.95Å; N30-R442 VanDerWaalsContact OD1-NH1 3.09Å; E440-R442 VanDerWaalsContact OE1-CB 3.24Å; E440-R442 WeakPolarHBondContact OE1-CB 3.32Å; E440-R442 IonicContact OE1-CZ 3.82Å; E440-R442 PolarHBondContact OE1-N 3.39Å; E440-R442 IonicContact OE1-NE 3.87Å; E440-R442 PolarHBondContact OE1-NE 3.07Å; E440-R442 IonicContact OE1-NH2 2.84Å; E440-R442 PolarHBondContact OE1-NH2 2.99Å; E440-R442 IonicContact OE2-CZ 3.82Å; E440-R442 IonicContact OE2-NE 3.83Å; E440-R442 PolarHBondContact OE2-NE 3.04Å; E440-R442 VanDerWaalsContact OE2-NE 3.16Å; E440-R442 IonicContact OE2-NH2 3.93Å; E440-R442 PolarHBondContact OE2-NH2 2.97Å; R442-E514 IonicContact CZ-OE1 3.54Å; R442-E514 IonicContact NE-OE1 2.78Å; R442-E514 VanDerWaalsContact NH1-CD 3.32Å; R442-E514 IonicContact NH1-OE1 3.09Å; R442-E514 PolarHBondContact NH1-OE1 3.32Å
443L89.8Confident94.1Very high56 Ų5617 Ų1729%0.29310%0.101SC..  trans-109.8155.4-174-46.3-178.8000109.8S410 K411S410-L443 WeakPolarHBondContact OG-CD2 3.15Å; K411-L443 HydrophobicContact CG-CD1 3.55Å
444G86.1Confident94.1Very high42 Ų4219.4 Ų19.443%0.43311%0.112SC..SBendtrans79.622.717300000114.4K518G444-K518 WeakPolarHBondContact O-CG 3.48Å
445T93Very high94.1Very high10 Ų1019.4 Ų19.46%0.06111%0.112CC..  trans-125.3151.5172.567.20000109.2T436 G447 T512 L517T436-T445 WeakPolarHBondContact CG2-O 3.48Å; T445-G447 VanDerWaalsContact C-N 3.34Å; T445-T512 HydrophobicContact CG2-CG2 3.83Å; T445-L517 CarbonylContact C-O 3.56Å; T445-L517 WeakPolarHBondContact CA-O 3.32Å; T445-L517 WeakPolarHBondContact CB-O 3.44Å
446V94.4Very high94.2Very high21 Ų2119.7 Ų19.713%0.12711%0.113CC..  trans-99.614.2175-62.40000112.2E422 Y424 T434 L435 L517 I519E422-V446 CarbonylContact O-C 3.57Å; Y424-V446 HydrophobicContact CG-CG2 4.27Å; T434-V446 CarbonylContact C-O 3.5Å; T434-V446 VanDerWaalsContact CB-O 3.27Å; T434-V446 WeakPolarHBondContact CB-O 3.38Å; T434-V446 WeakPolarHBondContact OG1-CG2 3.29Å; T434-V446 PolarHBondContact OG1-O 3.43Å; L435-V446 CarbonylContact C-O 3.57Å; L435-V446 WeakPolarHBondContact CA-O 3.35Å; L435-V446 PolarHBondContact N-O 2.99Å; V446-L517 HydrophobicContact CG2-CB 3.93Å; V446-L517 HydrophobicContact CG2-CD2 4.17Å; V446-L517 HydrophobicContact CG2-CG 4.13Å; V446-L517 WeakPolarHBondContact CG2-O 3.37Å; V446-L517 PolarHBondContact N-O 3.47Å; V446-I519 HydrophobicContact CG1-CG1 3.92Å; V446-I519 HydrophobicContact CG2-CD1 3.92Å; V446-I519 HydrophobicContact CG2-CG1 3.91Å
447G95.4Very high94.3Very high0 Ų020.1 Ų20.10%012%0.115CC..BIsolated β-bridgetrans86.1-162.6166.500000116.3L435 T445 S516 L517L435-G447 WeakPolarHBondContact O-CA 3.46Å; T445-G447 VanDerWaalsContact C-N 3.34Å; G447-S516 CarbonylContact O-C 3.53Å; G447-S516 VanDerWaalsContact O-CA 3.26Å; G447-S516 WeakPolarHBondContact O-CA 3.24Å; G447-L517 PolarHBondContact O-N 3.12Å
448G96.6Very high94.4Very high4 Ų421 Ų214%0.04112%0.119CC..EExtended strand (participates in β ladder)trans-81.8166.8-177.300000113.2Q32 T434 L435Q32-G448 VanDerWaalsContact O-CA 3.28Å; Q32-G448 WeakPolarHBondContact O-CA 3.19Å; T434-G448 CarbonylContact C-O 3.46Å; T434-G448 WeakPolarHBondContact CA-O 3.31Å; T434-G448 WeakPolarHBondContact CB-O 3.5Å; L435-G448 PolarHBondContact N-O 2.77Å; L435-G448 PolarHBondContact O-N 3.35Å
449V97.6Very high94.5Very high2 Ų224.9 Ų24.91%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-68.9131.1175.3-174.80000109.2Q32 R43 S45 V453 L455 W511Q32-V449 PolarHBondContact O-N 3.47Å; R43-V449 HydrophobicContact CB-CG2 4.32Å; S45-V449 WeakPolarHBondContact CA-O 3.47Å; S45-V449 WeakPolarHBondContact CB-O 3.35Å; S45-V449 PolarHBondContact OG-O 3.35Å; V449-V453 HydrophobicContact CG1-CG1 3.69Å; V449-V453 VanDerWaalsContact CG1-O 3.29Å; V449-V453 WeakPolarHBondContact CG1-O 3.1Å; V449-L455 HydrophobicContact CG1-CD1 4.39Å; V449-L455 HydrophobicContact CG1-CG 4.07Å; V449-L455 HydrophobicContact CG2-CB 4.34Å; V449-L455 HydrophobicContact CG2-CD1 4.03Å; V449-L455 HydrophobicContact CG2-CG 4.19Å; V449-W511 HydrophobicContact CG2-CH2 3.69Å; V449-W511 HydrophobicContact CG2-CZ3 4.14Å
450L96.7Very high94.4Very high0 Ų025 Ų250%014%0.141CC..PPolyproline II helixtrans-64.8156.8174.7-68.6-172.3000111.3S45 L267 S270 S432 I433 L435 V453S45-L450 WeakPolarHBondContact CB-O 3.36Å; L267-L450 HydrophobicContact CD2-CD1 4.03Å; L267-L450 HydrophobicContact CD2-CD2 4.19Å; L267-L450 HydrophobicContact CG-CD1 4.44Å; S270-L450 WeakPolarHBondContact OG-CD2 3.38Å; S432-L450 WeakPolarHBondContact O-CD1 3.49Å; I433-L450 WeakPolarHBondContact O-CG 3.44Å; I433-L450 PolarHBondContact O-N 3.35Å; L435-L450 HydrophobicContact CB-CD2 3.69Å; L450-V453 HydrophobicContact CB-CG1 4.03Å; L450-V453 WeakPolarHBondContact O-CG1 3.18Å
451Y93.5Very high93.9Very high61 Ų6130 Ų3024%0.23917%0.173CC..THydrogen-bonded Turntrans-57.5149.2168.2176.6-97.7000110.6K49 S266 V453 Q481K49-Y451 HydrophobicContact CB-CD2 4.23Å; K49-Y451 HydrophobicContact CB-CE1 4.09Å; K49-Y451 HydrophobicContact CB-CE2 3.7Å; K49-Y451 HydrophobicContact CD-CE1 3.69Å; K49-Y451 WeakPolarHBondContact CE-OH 3.39Å; K49-Y451 HydrophobicContact CG-CE1 4.26Å; K49-Y451 PolarHBondContact NZ-OH 2.81Å; S266-Y451 WeakPolarHBondContact CB-O 3.25Å; S266-Y451 PolarHBondContact OG-O 2.87Å; Y451-V453 VanDerWaalsContact C-N 3.25Å; Y451-V453 PolarHBondContact O-N 2.75Å; Y451-Q481 PolarHBondContact O-NE2 2.82Å
452G91.7Very high93.4Very high29 Ų2934.9 Ų34.930%0.29920%0.203SC..THydrogen-bonded Turntrans77.1-3.7174.900000116.7G479 D480 Q481G452-G479 WeakPolarHBondContact O-CA 3.32Å; G452-D480 PolarHBondContact O-N 3.16Å; G452-Q481 PolarHBondContact O-OE1 3.3Å; G452-Q481 VanDerWaalsContact O-OE1 3.13Å
453V95.6Very high92.9Very high4 Ų434 Ų342%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-122.4147175.470.70000111.5I433 V449 L450 Y451 L455 A477 R478I433-V453 HydrophobicContact CB-CG1 4.25Å; I433-V453 HydrophobicContact CB-CG2 4.39Å; I433-V453 HydrophobicContact CG2-CG2 4.05Å; V449-V453 HydrophobicContact CG1-CG1 3.69Å; V449-V453 VanDerWaalsContact CG1-O 3.29Å; V449-V453 WeakPolarHBondContact CG1-O 3.1Å; L450-V453 HydrophobicContact CB-CG1 4.03Å; L450-V453 WeakPolarHBondContact O-CG1 3.18Å; Y451-V453 VanDerWaalsContact C-N 3.25Å; Y451-V453 PolarHBondContact O-N 2.75Å; V453-L455 HydrophobicContact CG2-CD2 4.14Å; V453-A477 HydrophobicContact CG2-CB 4.34Å; V453-R478 WeakPolarHBondContact CG2-O 3.41Å
454E97.7Very high92.5Very high50 Ų5034.6 Ų34.623%0.23421%0.205CC..EExtended strand (participates in β ladder)trans-109.7140166.9-58.8-169.4104.900109.5S36 R43 A477 R478 W502S36-E454 WeakPolarHBondContact CB-OE1 3.49Å; S36-E454 PolarHBondContact OG-OE1 3.17Å; R43-E454 CarbonylContact O-C 3.5Å; R43-E454 WeakPolarHBondContact O-CA 3Å; E454-A477 WeakPolarHBondContact O-CA 3.41Å; E454-R478 PolarHBondContact N-O 3.33Å; E454-R478 PolarHBondContact O-N 2.98Å; E454-R478 IonicContact OE2-CZ 3.78Å; E454-R478 IonicContact OE2-NE 2.67Å; E454-R478 IonicContact OE2-NH2 3.56Å; E454-R478 PolarHBondContact OE2-NH2 3.26Å; E454-W502 HydrophobicContact CB-CH2 3.78Å; E454-W502 HydrophobicContact CB-CZ3 4.2Å; E454-W502 VanDerWaalsContact O-CZ3 3.3Å; E454-W502 WeakPolarHBondContact O-CZ3 3.4Å
455L98.4Very high92.5Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-122.5137174.7-59.7-172.7000110.6A42 R43 I433 T434 V449 V453 C476 A477 W511 L517A42-L455 CarbonylContact C-O 3.51Å; A42-L455 WeakPolarHBondContact CA-O 3.19Å; R43-L455 PolarHBondContact N-O 2.73Å; R43-L455 PolarHBondContact O-N 2.67Å; I433-L455 HydrophobicContact CB-CD2 4.16Å; I433-L455 HydrophobicContact CD1-CD1 4.33Å; I433-L455 HydrophobicContact CD1-CD2 3.66Å; I433-L455 HydrophobicContact CG1-CD1 4.38Å; I433-L455 HydrophobicContact CG1-CD2 4.23Å; T434-L455 HydrophobicContact CG2-CD1 3.42Å; T434-L455 VanDerWaalsContact CG2-CD1 3.42Å; V449-L455 HydrophobicContact CG1-CD1 4.39Å; V449-L455 HydrophobicContact CG1-CG 4.07Å; V449-L455 HydrophobicContact CG2-CB 4.34Å; V449-L455 HydrophobicContact CG2-CD1 4.03Å; V449-L455 HydrophobicContact CG2-CG 4.19Å; V453-L455 HydrophobicContact CG2-CD2 4.14Å; L455-C476 VanDerWaalsContact CA-O 3.31Å; L455-C476 WeakPolarHBondContact CA-O 3.22Å; L455-A477 HydrophobicContact CD2-CB 3.52Å; L455-W511 HydrophobicContact CB-CH2 4.07Å; L455-W511 HydrophobicContact CB-CZ2 4.05Å; L455-W511 HydrophobicContact CD1-CH2 4.22Å; L455-L517 HydrophobicContact CD1-CD2 4.32Å
456K97.9Very high92.4Very high18 Ų1834.5 Ų34.58%0.07820%0.195CC..EExtended strand (participates in β ladder)trans-127.5158.116868.4-179.1-179.6-176.10109.8A42 V458 C476 D498 W502A42-K456 HydrophobicContact CB-CB 4.18Å; K456-V458 HydrophobicContact CD-CG1 3.84Å; K456-V458 VanDerWaalsContact CE-CG1 3.42Å; K456-V458 HydrophobicContact CG-CG1 3.94Å; K456-C476 HydrophobicContact CD-CB 4.45Å; K456-C476 HydrophobicContact CG-CB 3.74Å; K456-C476 PolarHBondContact N-O 2.91Å; K456-C476 PolarHBondContact O-N 3.16Å; K456-D498 IonicContact NZ-OD2 2.76Å; K456-W502 HydrophobicContact CB-CH2 4.18Å; K456-W502 HydrophobicContact CB-CZ3 4.22Å; K456-W502 HydrophobicContact CD-CD2 3.86Å; K456-W502 HydrophobicContact CD-CE3 4.09Å; K456-W502 HydrophobicContact CD-CG 4.45Å; K456-W502 HydrophobicContact CD-CH2 4.05Å; K456-W502 HydrophobicContact CD-CZ2 3.81Å; K456-W502 HydrophobicContact CD-CZ3 4.18Å; K456-W502 VanDerWaalsContact CE-CG 3.47Å; K456-W502 HydrophobicContact CG-CD2 4.19Å; K456-W502 HydrophobicContact CG-CE3 3.89Å; K456-W502 HydrophobicContact CG-CH2 3.98Å; K456-W502 HydrophobicContact CG-CZ2 4.28Å; K456-W502 HydrophobicContact CG-CZ3 3.77Å
457L98.2Very high92.4Very high14 Ų1435.3 Ų35.37%0.07320%0.2CC..EExtended strand (participates in β ladder)trans-100.3131.8164.7-58.8179.4000107.3V467 E474 I475 G509 W511 L517L457-V467 HydrophobicContact CB-CG1 4.08Å; L457-V467 HydrophobicContact CB-CG2 3.87Å; L457-E474 CarbonylContact C-O 3.4Å; L457-E474 VanDerWaalsContact CA-O 3.27Å; L457-E474 WeakPolarHBondContact CA-O 3.44Å; L457-I475 HydrophobicContact CD2-CG1 3.82Å; L457-G509 WeakPolarHBondContact CD1-O 3.48Å; L457-W511 VanDerWaalsContact CD1-CD1 3.49Å; L457-W511 HydrophobicContact CD1-CG 4.35Å; L457-L517 HydrophobicContact CD2-CD1 4.39Å
458V97.3Very high92.4Very high28 Ų2840.9 Ų40.917%0.1724%0.239CC..EExtended strand (participates in β ladder)trans-114.1152.4175.9-590000111.4K456 G473 E474 C476K456-V458 HydrophobicContact CD-CG1 3.84Å; K456-V458 VanDerWaalsContact CE-CG1 3.42Å; K456-V458 HydrophobicContact CG-CG1 3.94Å; V458-G473 CarbonylContact O-C 3.59Å; V458-G473 WeakPolarHBondContact O-CA 3.43Å; V458-E474 HydrophobicContact CG2-CB 3.78Å; V458-E474 HydrophobicContact CG2-CG 4.33Å; V458-E474 PolarHBondContact N-O 3.48Å; V458-E474 PolarHBondContact O-N 3.25Å; V458-C476 HydrophobicContact CG1-CB 4.4Å; V458-C476 VanDerWaalsContact CG2-SG 3.51Å
459D95Very high92.2Very high82 Ų8247 Ų4744%0.43926%0.261SS..  trans-60149.3173.6-63.4-14.1000110.2P461 L465 V466 V467D459-P461 WeakPolarHBondContact O-CD 3.45Å; D459-L465 CarbonylContact C-O 3.56Å; D459-L465 VanDerWaalsContact CA-O 3.29Å; D459-L465 WeakPolarHBondContact CA-O 3.49Å; D459-L465 WeakPolarHBondContact CB-O 3.33Å; D459-V466 WeakPolarHBondContact OD1-CA 3.43Å; D459-V467 WeakPolarHBondContact OD1-CG2 3.41Å; D459-V467 PolarHBondContact OD1-N 3.08Å
460V91.2Very high91.8Very high8 Ų849.3 Ų49.35%0.04827%0.273CS..BIsolated β-bridgetrans-122.189.1175.8-171.90000107.9D462 L463 D464 L465 E474 I508 V523V460-D462 VanDerWaalsContact C-N 3.3Å; V460-D462 PolarHBondContact O-N 2.87Å; V460-L463 HydrophobicContact CB-CB 4.23Å; V460-L463 HydrophobicContact CG1-CB 3.95Å; V460-L463 HydrophobicContact CG1-CD1 3.93Å; V460-L463 HydrophobicContact CG1-CG 3.83Å; V460-L463 CarbonylContact O-C 3.52Å; V460-L463 VanDerWaalsContact O-C 3.3Å; V460-L463 WeakPolarHBondContact O-CA 3.26Å; V460-L463 PolarHBondContact O-N 3.41Å; V460-D464 PolarHBondContact O-N 2.9Å; V460-L465 HydrophobicContact CB-CB 4.2Å; V460-L465 PolarHBondContact N-O 3.47Å; V460-L465 PolarHBondContact O-N 3.37Å; V460-L465 VanDerWaalsContact O-N 3.09Å; V460-E474 HydrophobicContact CG2-CB 3.7Å; V460-I508 HydrophobicContact CG2-CD1 3.79Å; V460-V523 HydrophobicContact CG1-CG1 3.88Å; V460-V523 HydrophobicContact CG2-CG2 4.5Å
461P83.9Confident91.7Very high109 Ų10951.5 Ų51.571%0.70830%0.295SS*.G310 helixtrans-57.8-38.2-173.8-27.835.8000113.9D459 L463 D464D459-P461 WeakPolarHBondContact O-CD 3.45Å; P461-L463 PolarHBondContact O-N 3.46Å; P461-D464 PolarHBondContact O-N 3.1Å
462D80.9Confident91.7Very high159 Ų15952.5 Ų52.585%0.8530%0.299SS*.G310 helixtrans-61.1-26.6176.8-68.6-13.6000112.7V460V460-D462 VanDerWaalsContact C-N 3.3Å; V460-D462 PolarHBondContact O-N 2.87Å
463L80.3Confident91.9Very high16 Ų1651.1 Ų51.18%0.08429%0.285CS..G310 helixtrans-103.912174-61.6-178.6000111.8V460 P461 L465 V523 I526 Y534V460-L463 HydrophobicContact CB-CB 4.23Å; V460-L463 HydrophobicContact CG1-CB 3.95Å; V460-L463 HydrophobicContact CG1-CD1 3.93Å; V460-L463 HydrophobicContact CG1-CG 3.83Å; V460-L463 CarbonylContact O-C 3.52Å; V460-L463 VanDerWaalsContact O-C 3.3Å; V460-L463 WeakPolarHBondContact O-CA 3.26Å; V460-L463 PolarHBondContact O-N 3.41Å; P461-L463 PolarHBondContact O-N 3.46Å; L463-L465 HydrophobicContact CB-CB 4.38Å; L463-L465 HydrophobicContact CB-CD1 3.91Å; L463-L465 HydrophobicContact CB-CG 3.86Å; L463-L465 HydrophobicContact CD1-CD1 3.88Å; L463-L465 WeakPolarHBondContact O-CG 3.27Å; L463-L465 PolarHBondContact O-N 3.33Å; L463-V523 HydrophobicContact CD1-CG1 4.33Å; L463-I526 HydrophobicContact CD1-CB 3.93Å; L463-I526 HydrophobicContact CD1-CD1 4.12Å; L463-I526 HydrophobicContact CD1-CG2 3.98Å; L463-I526 HydrophobicContact CD2-CB 4.37Å; L463-I526 HydrophobicContact CD2-CG2 4.06Å; L463-Y534 VanDerWaalsContact C-CZ 3.49Å; L463-Y534 HydrophobicContact CB-CE1 4.05Å; L463-Y534 HydrophobicContact CD2-CD1 4.42Å; L463-Y534 HydrophobicContact CD2-CE1 4.16Å; L463-Y534 WeakPolarHBondContact O-CE1 3.4Å; L463-Y534 WeakPolarHBondContact O-CE2 3.48Å; L463-Y534 PolarHBondContact O-OH 2.91Å
464D81.7Confident92Very high70 Ų7052.2 Ų52.237%0.37429%0.289SS..THydrogen-bonded Turntrans35.346.5-172.8167.236.5000110.5V460 P461 R469 K528 Y534V460-D464 PolarHBondContact O-N 2.9Å; P461-D464 PolarHBondContact O-N 3.1Å; D464-R469 PolarHBondContact O-NH2 2.91Å; D464-R469 IonicContact OD1-CZ 2.77Å; D464-R469 IonicContact OD1-NH1 3.78Å; D464-R469 PolarHBondContact OD1-NH1 3.2Å; D464-R469 IonicContact OD1-NH2 3.1Å; D464-R469 IonicContact OD2-NH1 2.74Å; D464-K528 IonicContact OD2-NZ 3.04Å; D464-Y534 WeakPolarHBondContact CB-OH 3.26Å
465L85.6Confident92Very high8 Ų849.9 Ų49.94%0.04228%0.278CS..BIsolated β-bridgetrans-102.7118177.5-78.4176.8000106.5D459 V460 L463 D470 R472 I508 Y534D459-L465 CarbonylContact C-O 3.56Å; D459-L465 VanDerWaalsContact CA-O 3.29Å; D459-L465 WeakPolarHBondContact CA-O 3.49Å; D459-L465 WeakPolarHBondContact CB-O 3.33Å; V460-L465 HydrophobicContact CB-CB 4.2Å; V460-L465 PolarHBondContact N-O 3.47Å; V460-L465 PolarHBondContact O-N 3.37Å; V460-L465 VanDerWaalsContact O-N 3.09Å; L463-L465 HydrophobicContact CB-CB 4.38Å; L463-L465 HydrophobicContact CB-CD1 3.91Å; L463-L465 HydrophobicContact CB-CG 3.86Å; L463-L465 HydrophobicContact CD1-CD1 3.88Å; L463-L465 WeakPolarHBondContact O-CG 3.27Å; L463-L465 PolarHBondContact O-N 3.33Å; L465-D470 HydrophobicContact CD2-CB 4.5Å; L465-R472 HydrophobicContact CD2-CG 4.19Å; L465-I508 HydrophobicContact CD1-CD1 4.27Å; L465-Y534 HydrophobicContact CD2-CD2 4.32Å
466V91.1Very high92Very high41 Ų4149.9 Ų49.925%0.24828%0.278CS..  trans-117.2118.6-179.4-179.80000108D459 S468 R469 D470D459-V466 WeakPolarHBondContact OD1-CA 3.43Å; V466-S468 VanDerWaalsContact C-N 3.28Å; V466-S468 WeakPolarHBondContact CG1-OG 3.12Å; V466-S468 PolarHBondContact O-N 2.97Å; V466-R469 HydrophobicContact CB-CB 4.06Å; V466-R469 HydrophobicContact CG1-CB 4.33Å; V466-R469 PolarHBondContact O-N 3.27Å; V466-D470 PolarHBondContact N-OD2 2.79Å; V466-D470 PolarHBondContact O-N 2.93Å
467V94.6Very high92Very high39 Ų3949 Ų4924%0.23628%0.275CS..Hα-helixtrans-56.8-42.3-172173.90000111.6L457 D459 R469 G471 R472L457-V467 HydrophobicContact CB-CG1 4.08Å; L457-V467 HydrophobicContact CB-CG2 3.87Å; D459-V467 WeakPolarHBondContact OD1-CG2 3.41Å; D459-V467 PolarHBondContact OD1-N 3.08Å; V467-R469 VanDerWaalsContact C-N 3.29Å; V467-R469 PolarHBondContact O-N 2.91Å; V467-G471 VanDerWaalsContact O-CA 3.26Å; V467-G471 WeakPolarHBondContact O-CA 3.48Å; V467-G471 PolarHBondContact O-N 2.83Å; V467-R472 WeakPolarHBondContact CA-O 3.27Å
468S94.3Very high92Very high116 Ų11652.6 Ų52.681%0.81129%0.287SS*.Hα-helixtrans-67.8-27.3179.9610000113.5V466V466-S468 VanDerWaalsContact C-N 3.28Å; V466-S468 WeakPolarHBondContact CG1-OG 3.12Å; V466-S468 PolarHBondContact O-N 2.97Å
469R92.8Very high91.9Very high134 Ų13452.6 Ų52.651%0.50629%0.292SS..Hα-helixtrans-88.1-44.6178.8-171.5-172.969.5-157.3-2.5111.7D464 V466 V467D464-R469 PolarHBondContact O-NH2 2.91Å; D464-R469 IonicContact OD1-CZ 2.77Å; D464-R469 IonicContact OD1-NH1 3.78Å; D464-R469 PolarHBondContact OD1-NH1 3.2Å; D464-R469 IonicContact OD1-NH2 3.1Å; D464-R469 IonicContact OD2-NH1 2.74Å; V466-R469 HydrophobicContact CB-CB 4.06Å; V466-R469 HydrophobicContact CG1-CB 4.33Å; V466-R469 PolarHBondContact O-N 3.27Å; V467-R469 VanDerWaalsContact C-N 3.29Å; V467-R469 PolarHBondContact O-N 2.91Å
470D90.2Very high91.7Very high49 Ų4951.6 Ų51.626%0.26229%0.287SS..Hα-helixtrans-106.7-8.3-165.3-53.6-43.4000113.7L465 V466 R472L465-D470 HydrophobicContact CD2-CB 4.5Å; V466-D470 PolarHBondContact N-OD2 2.79Å; V466-D470 PolarHBondContact O-N 2.93Å; D470-R472 HydrophobicContact CB-CG 3.97Å; D470-R472 PolarHBondContact O-N 2.59Å; D470-R472 PolarHBondContact O-NE 3.47Å
471G93.3Very high91.7Very high46 Ų4651.2 Ų51.247%0.47429%0.285SS..SBendtrans66.513.3-178.400000114.5V467 E510V467-G471 VanDerWaalsContact O-CA 3.26Å; V467-G471 WeakPolarHBondContact O-CA 3.48Å; V467-G471 PolarHBondContact O-N 2.83Å; G471-E510 WeakPolarHBondContact O-CB 3.44Å
472R94.6Very high92.4Very high83 Ų8346.9 Ų46.931%0.31326%0.257SS..EExtended strand (participates in β ladder)trans-143.3153.3-175.570.2-170.766.1-140.1-17.6111.1L465 V467 D470 I508 G509 E510L465-R472 HydrophobicContact CD2-CG 4.19Å; V467-R472 WeakPolarHBondContact CA-O 3.27Å; D470-R472 HydrophobicContact CB-CG 3.97Å; D470-R472 PolarHBondContact O-N 2.59Å; D470-R472 PolarHBondContact O-NE 3.47Å; R472-I508 HydrophobicContact CB-CG2 4.19Å; R472-I508 HydrophobicContact CG-CG2 4.41Å; R472-G509 VanDerWaalsContact CA-O 3.25Å; R472-G509 WeakPolarHBondContact CA-O 3.33Å; R472-G509 WeakPolarHBondContact CB-O 3.24Å; R472-E510 HydrophobicContact CB-CB 4.17Å; R472-E510 IonicContact CZ-OE2 3.98Å; R472-E510 IonicContact NH1-OE2 2.76Å; R472-E510 IonicContact NH2-OE2 3.85Å; R472-E510 PolarHBondContact NH2-OE2 3.07Å
473G95.5Very high93.1Very high0 Ų039.5 Ų39.50%022%0.218CC..EExtended strand (participates in β ladder)trans-169.6178.917800000112V458 I508 G509V458-G473 CarbonylContact O-C 3.59Å; V458-G473 WeakPolarHBondContact O-CA 3.43Å; G473-I508 CarbonylContact O-C 3.59Å; G473-I508 VanDerWaalsContact O-CA 3.31Å; G473-I508 WeakPolarHBondContact O-CA 3.45Å; G473-G509 PolarHBondContact N-O 3.31Å; G473-G509 VanDerWaalsContact N-O 3.13Å; G473-G509 PolarHBondContact O-N 2.77Å
474E97.3Very high93.9Very high26 Ų2644.7 Ų44.712%0.12124%0.24CC..EExtended strand (participates in β ladder)trans-64.6134.9172.9173.6176.6-142.400109.9L457 V458 V460 C476 H504 G506 D507 I508 V523L457-E474 CarbonylContact C-O 3.4Å; L457-E474 VanDerWaalsContact CA-O 3.27Å; L457-E474 WeakPolarHBondContact CA-O 3.44Å; V458-E474 HydrophobicContact CG2-CB 3.78Å; V458-E474 HydrophobicContact CG2-CG 4.33Å; V458-E474 PolarHBondContact N-O 3.48Å; V458-E474 PolarHBondContact O-N 3.25Å; V460-E474 HydrophobicContact CG2-CB 3.7Å; E474-C476 PolarHBondContact O-N 3.25Å; E474-H504 WeakPolarHBondContact OE1-CB 3.31Å; E474-H504 IonicContact OE1-ND1 3.48Å; E474-H504 IonicContact OE2-CE1 2.82Å; E474-H504 IonicContact OE2-CG 2.79Å; E474-H504 IonicContact OE2-ND1 3.07Å; E474-H504 PolarHBondContact OE2-ND1 3.45Å; E474-G506 VanDerWaalsContact OE1-CA 3.23Å; E474-G506 WeakPolarHBondContact OE1-CA 3.12Å; E474-G506 PolarHBondContact OE1-N 2.74Å; E474-D507 CarbonylContact C-O 3.56Å; E474-D507 WeakPolarHBondContact CA-O 3.5Å; E474-I508 HydrophobicContact CB-CD1 4.2Å; E474-V523 HydrophobicContact CB-CG2 4.1Å; E474-V523 HydrophobicContact CG-CG2 4.19Å
475I98.2Very high94.6Very high1 Ų141.3 Ų41.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-77120.4175.6-59.7154.9000107.9Y424 I433 L457 T505 D507 L517 I519Y424-I475 HydrophobicContact CE1-CD1 4.01Å; Y424-I475 HydrophobicContact CE1-CG2 4.24Å; I433-I475 HydrophobicContact CD1-CG2 4.49Å; L457-I475 HydrophobicContact CD2-CG1 3.82Å; I475-T505 HydrophobicContact CB-CG2 4.49Å; I475-T505 HydrophobicContact CG2-CG2 4.29Å; I475-T505 WeakPolarHBondContact O-CG2 3.28Å; I475-T505 PolarHBondContact O-N 3.32Å; I475-T505 PolarHBondContact O-OG1 2.9Å; I475-D507 HydrophobicContact CD1-CB 4.27Å; I475-D507 PolarHBondContact N-O 2.79Å; I475-L517 HydrophobicContact CD1-CD1 4.46Å; I475-L517 HydrophobicContact CD1-CD2 3.88Å; I475-L517 HydrophobicContact CD1-CG 4.48Å; I475-L517 HydrophobicContact CG1-CD1 4.38Å; I475-L517 HydrophobicContact CG1-CD2 4.26Å; I475-L517 HydrophobicContact CG2-CD2 4.36Å; I475-I519 HydrophobicContact CD1-CD1 3.5Å; I475-I519 VanDerWaalsContact CD1-CD1 3.5Å
476C98.4Very high95.2Very high0 Ų041.6 Ų41.60%022%0.222CC..EExtended strand (participates in β ladder)trans-112.2138.9171.7-70.40000109.8L455 K456 V458 E474 W502 I503L455-C476 VanDerWaalsContact CA-O 3.31Å; L455-C476 WeakPolarHBondContact CA-O 3.22Å; K456-C476 HydrophobicContact CD-CB 4.45Å; K456-C476 HydrophobicContact CG-CB 3.74Å; K456-C476 PolarHBondContact N-O 2.91Å; K456-C476 PolarHBondContact O-N 3.16Å; V458-C476 HydrophobicContact CG1-CB 4.4Å; V458-C476 VanDerWaalsContact CG2-SG 3.51Å; E474-C476 PolarHBondContact O-N 3.25Å; C476-W502 HydrophobicContact CB-CB 4.12Å; C476-W502 HydrophobicContact CB-CD2 4.35Å; C476-W502 HydrophobicContact CB-CE3 3.84Å; C476-W502 HydrophobicContact CB-CG 4.49Å; C476-I503 CarbonylContact C-O 3.47Å; C476-I503 WeakPolarHBondContact CA-O 3.45Å
477A98.4Very high95.5Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-123.3142.2-179.300000112.1T429 I433 V453 E454 L455 W502 I503T429-A477 HydrophobicContact CG2-CB 4.06Å; I433-A477 HydrophobicContact CD1-CB 3.96Å; I433-A477 HydrophobicContact CG2-CB 4.44Å; V453-A477 HydrophobicContact CG2-CB 4.34Å; E454-A477 WeakPolarHBondContact O-CA 3.41Å; L455-A477 HydrophobicContact CD2-CB 3.52Å; A477-W502 CarbonylContact O-C 3.54Å; A477-W502 WeakPolarHBondContact O-CA 3.23Å; A477-I503 PolarHBondContact N-O 3.24Å; A477-I503 PolarHBondContact O-N 2.95Å
478R97.5Very high95.5Very high90 Ų9043.8 Ų43.834%0.3423%0.225SC..EExtended strand (participates in β ladder)trans-144.7131.6172.5-177.6177.468.5-173.51109.5V453 E454 D500 G501 W502V453-R478 WeakPolarHBondContact CG2-O 3.41Å; E454-R478 PolarHBondContact N-O 3.33Å; E454-R478 PolarHBondContact O-N 2.98Å; E454-R478 IonicContact OE2-CZ 3.78Å; E454-R478 IonicContact OE2-NE 2.67Å; E454-R478 IonicContact OE2-NH2 3.56Å; E454-R478 PolarHBondContact OE2-NH2 3.26Å; R478-D500 WeakPolarHBondContact CD-O 3.46Å; R478-D500 PolarHBondContact NH1-O 3.08Å; R478-D500 VanDerWaalsContact NH1-O 3.15Å; R478-G501 WeakPolarHBondContact CG-O 3.44Å; R478-W502 HydrophobicContact CB-CD2 3.79Å; R478-W502 HydrophobicContact CB-CE3 3.62Å; R478-W502 HydrophobicContact CB-CG 4.37Å; R478-W502 HydrophobicContact CB-CH2 4.27Å; R478-W502 HydrophobicContact CB-CZ2 4.41Å; R478-W502 HydrophobicContact CB-CZ3 3.88Å
479G95.5Very high95.6Very high27 Ų2740.3 Ų40.328%0.27820%0.198SC..EExtended strand (participates in β ladder)trans167-178.3-17900000112.5G452 Q481 C482G452-G479 WeakPolarHBondContact O-CA 3.32Å; G479-Q481 PolarHBondContact O-N 2.9Å; G479-C482 WeakPolarHBondContact O-CB 3.34Å; G479-C482 PolarHBondContact O-N 3.13Å; G479-C482 VanDerWaalsContact O-N 3.09Å
480D90.3Very high95.8Very high62 Ų6238.7 Ų38.733%0.33221%0.205SC..THydrogen-bonded Turntrans-69.5-13.3-177-70.7-41.5000113.6K258 E259 H262 G452K258-D480 WeakPolarHBondContact CE-OD1 3.34Å; K258-D480 IonicContact NZ-OD1 2.65Å; K258-D480 PolarHBondContact NZ-OD1 3.14Å; E259-D480 WeakPolarHBondContact CA-O 3.14Å; E259-D480 WeakPolarHBondContact CG-O 3.43Å; H262-D480 HydrophobicContact CB-CB 4.03Å; H262-D480 IonicContact CE1-OD2 2.84Å; H262-D480 PolarHBondContact CE1-OD2 3.3Å; H262-D480 WeakPolarHBondContact ND1-CB 3.47Å; H262-D480 IonicContact ND1-OD2 3.16Å; H262-D480 PolarHBondContact ND1-OD2 2.55Å; G452-D480 PolarHBondContact O-N 3.16Å
481Q92Very high96Very high0 Ų040.9 Ų40.90%022%0.22CC..THydrogen-bonded Turntrans-89.3-5.8174.6-52.991.5-20.600113.6H262 T263 S266 T429 M430 Y451 G452 G479H262-Q481 HydrophobicContact CB-CG 4.26Å; T263-Q481 WeakPolarHBondContact OG1-CB 3.31Å; T263-Q481 WeakPolarHBondContact OG1-CG 3.3Å; S266-Q481 PolarHBondContact OG-NE2 3.44Å; S266-Q481 VanDerWaalsContact OG-NE2 3.08Å; T429-Q481 CarbonylContact C-O 3.5Å; T429-Q481 WeakPolarHBondContact CA-O 3.5Å; M430-Q481 HydrophobicContact CB-CB 4.43Å; M430-Q481 WeakPolarHBondContact CB-O 3.47Å; M430-Q481 PolarHBondContact N-O 2.86Å; Y451-Q481 PolarHBondContact O-NE2 2.82Å; G452-Q481 PolarHBondContact O-OE1 3.3Å; G452-Q481 VanDerWaalsContact O-OE1 3.13Å; G479-Q481 PolarHBondContact O-N 2.9Å
482C97.2Very high96Very high17 Ų1742.3 Ų42.312%0.11521%0.213CC..SBendtrans-85.9131.5-176.3-67.50000110.6G479 I503G479-C482 WeakPolarHBondContact O-CB 3.34Å; G479-C482 PolarHBondContact O-N 3.13Å; G479-C482 VanDerWaalsContact O-N 3.09Å; C482-I503 HydrophobicContact CB-CD1 3.52Å; C482-I503 HydrophobicContact CB-CG1 4.26Å
483S97.3Very high96.1Very high5 Ų539.8 Ų39.84%0.03521%0.207CC..  trans-62.2153.6178.2177.90000112L254 E428 G485 I497L254-S483 WeakPolarHBondContact O-CB 3.47Å; L254-S483 PolarHBondContact O-OG 3.08Å; E428-S483 WeakPolarHBondContact O-CB 3.12Å; E428-S483 PolarHBondContact O-N 3.41Å; S483-G485 VanDerWaalsContact C-N 3.27Å; S483-G485 PolarHBondContact OG-N 2.85Å; S483-G485 VanDerWaalsContact OG-N 3.11Å; S483-G485 PolarHBondContact OG-O 3.39Å; S483-I497 WeakPolarHBondContact O-CD1 3.37Å
484K95.6Very high96.1Very high124 Ų12443.4 Ų43.454%0.53924%0.237SC..  trans-80.9-2.6171.5-64.1-179.9-178.9171.50114
485G97.3Very high96Very high0 Ų047.3 Ų47.30%026%0.255CS..  trans128.5-154.1176.700000114.2L254 S483L254-G485 PolarHBondContact N-O 2.92Å; S483-G485 VanDerWaalsContact C-N 3.27Å; S483-G485 PolarHBondContact OG-N 2.85Å; S483-G485 VanDerWaalsContact OG-N 3.11Å; S483-G485 PolarHBondContact OG-O 3.39Å
486Y97.2Very high95.9Very high13 Ų1347.8 Ų47.85%0.05126%0.257CS..BIsolated β-bridgetrans-106.9138.3-177.2-59.3-64.1000111.8K251 G252 V253 E428 K488 D489 K492 T493 L496K251-Y486 HydrophobicContact CB-CD1 3.68Å; K251-Y486 HydrophobicContact CB-CE1 3.9Å; K251-Y486 HydrophobicContact CB-CG 4.2Å; K251-Y486 HydrophobicContact CD-CD1 4.34Å; K251-Y486 HydrophobicContact CD-CD2 4.25Å; K251-Y486 HydrophobicContact CD-CE1 4.12Å; K251-Y486 HydrophobicContact CD-CE2 4.03Å; K251-Y486 HydrophobicContact CD-CG 4.4Å; K251-Y486 PolarHBondContact NZ-OH 3.1Å; G252-Y486 CarbonylContact O-C 3.57Å; G252-Y486 VanDerWaalsContact O-CA 3.29Å; G252-Y486 WeakPolarHBondContact O-CA 3.5Å; V253-Y486 HydrophobicContact CG2-CD1 3.99Å; V253-Y486 HydrophobicContact CG2-CE1 3.69Å; E428-Y486 HydrophobicContact CG-CE1 3.96Å; E428-Y486 WeakPolarHBondContact OE1-CE1 3.48Å; E428-Y486 PolarHBondContact OE1-OH 3.47Å; Y486-K488 PolarHBondContact O-N 3.32Å; Y486-D489 PolarHBondContact O-N 3.41Å; Y486-K492 HydrophobicContact CD2-CB 3.57Å; Y486-K492 HydrophobicContact CE2-CB 3.92Å; Y486-K492 WeakPolarHBondContact CE2-O 3.46Å; Y486-T493 PolarHBondContact N-OG1 3.03Å; Y486-T493 PolarHBondContact O-OG1 2.88Å; Y486-L496 HydrophobicContact CD2-CD2 4.47Å; Y486-L496 HydrophobicContact CE1-CD2 4.49Å; Y486-L496 HydrophobicContact CE2-CB 3.93Å; Y486-L496 HydrophobicContact CE2-CD2 3.86Å; Y486-L496 HydrophobicContact CE2-CG 4.35Å
487F97.3Very high95.8Very high14 Ų1449.7 Ų49.76%0.06127%0.267CS..THydrogen-bonded Turntrans-61.1123.9178.9-178-115.8000111.2E117 Q162 T163 I240 G252 L254 D489E117-F487 HydrophobicContact CG-CE2 3.75Å; Q162-F487 HydrophobicContact CG-CD1 4.1Å; Q162-F487 HydrophobicContact CG-CE1 4.18Å; Q162-F487 PolarHBondContact NE2-O 2.96Å; Q162-F487 WeakPolarHBondContact O-CE1 3.34Å; T163-F487 HydrophobicContact CG2-CE1 4.19Å; I240-F487 HydrophobicContact CD1-CB 4.48Å; I240-F487 HydrophobicContact CD1-CD1 4.17Å; I240-F487 HydrophobicContact CD1-CD2 3.79Å; I240-F487 HydrophobicContact CD1-CE1 4.34Å; I240-F487 HydrophobicContact CD1-CE2 3.99Å; I240-F487 HydrophobicContact CD1-CG 3.88Å; I240-F487 HydrophobicContact CD1-CZ 4.24Å; I240-F487 HydrophobicContact CG2-CB 3.97Å; I240-F487 HydrophobicContact CG2-CG 4.33Å; G252-F487 PolarHBondContact O-N 2.95Å; L254-F487 HydrophobicContact CD2-CB 3.69Å; L254-F487 HydrophobicContact CD2-CD2 3.92Å; L254-F487 HydrophobicContact CD2-CG 4.25Å; L254-F487 HydrophobicContact CG-CB 4.4Å; F487-D489 PolarHBondContact O-N 2.89Å; F487-D489 VanDerWaalsContact O-N 3.11Å
488K96.1Very high95.7Very high113 Ų11351.6 Ų51.649%0.49128%0.277SS..THydrogen-bonded Turntrans5031.9-178.7-64.1-178.6176.9173.90113.9Q162 E164 Y486Q162-K488 HydrophobicContact CG-CB 4.39Å; Q162-K488 HydrophobicContact CG-CD 4.34Å; Q162-K488 WeakPolarHBondContact O-CD 3.39Å; Q162-K488 PolarHBondContact O-NZ 3.4Å; E164-K488 IonicContact OE1-NZ 3.6Å; E164-K488 PolarHBondContact OE1-NZ 3.14Å; Y486-K488 PolarHBondContact O-N 3.32Å
489D95.1Very high95.7Very high42 Ų4253 Ų5323%0.22530%0.301CS..  trans-138.279.2178.4-170-15.6000111.6Y486 F487 V491 K492 T493Y486-D489 PolarHBondContact O-N 3.41Å; F487-D489 PolarHBondContact O-N 2.89Å; F487-D489 VanDerWaalsContact O-N 3.11Å; D489-V491 VanDerWaalsContact C-N 3.29Å; D489-V491 PolarHBondContact O-N 2.8Å; D489-V491 PolarHBondContact OD1-N 3.05Å; D489-K492 WeakPolarHBondContact OD1-CB 3.36Å; D489-K492 WeakPolarHBondContact OD1-CG 3.43Å; D489-K492 PolarHBondContact OD1-N 3.12Å; D489-K492 WeakPolarHBondContact OD2-CB 3.49Å; D489-K492 WeakPolarHBondContact OD2-CG 3.44Å; D489-T493 WeakPolarHBondContact O-CB 3.27Å; D489-T493 PolarHBondContact O-N 3.24Å; D489-T493 PolarHBondContact O-OG1 2.69Å
490P96.6Very high95.7Very high101 Ų10156.7 Ų56.766%0.65631%0.314SS*.Hα-helixtrans-67.1-28.9-177.926.4-34.3000112.9T493 A494P490-T493 PolarHBondContact O-N 3.08Å; P490-A494 WeakPolarHBondContact O-CB 3.45Å; P490-A494 PolarHBondContact O-N 3.16Å
491V95.3Very high95.9Very high95 Ų9555.2 Ų55.258%0.57631%0.314SS*.Hα-helixtrans-68.9-52.3-179.61780000109.9D489 T493 A494 E495D489-V491 VanDerWaalsContact C-N 3.29Å; D489-V491 PolarHBondContact O-N 2.8Å; D489-V491 PolarHBondContact OD1-N 3.05Å; V491-T493 PolarHBondContact O-N 3.15Å; V491-A494 PolarHBondContact O-N 2.88Å; V491-E495 WeakPolarHBondContact O-CG 3.36Å; V491-E495 PolarHBondContact O-N 2.76Å
492K92.9Very high96.2Very high75 Ų7555.6 Ų55.633%0.32632%0.315SS..Hα-helixtrans-68.9-25.2177.1-63.4-52.8-174.4-166.20112.8K251 Y486 D489 E495 L496K251-K492 HydrophobicContact CD-CB 4.29Å; K251-K492 HydrophobicContact CD-CG 4.27Å; Y486-K492 HydrophobicContact CD2-CB 3.57Å; Y486-K492 HydrophobicContact CE2-CB 3.92Å; Y486-K492 WeakPolarHBondContact CE2-O 3.46Å; D489-K492 WeakPolarHBondContact OD1-CB 3.36Å; D489-K492 WeakPolarHBondContact OD1-CG 3.43Å; D489-K492 PolarHBondContact OD1-N 3.12Å; D489-K492 WeakPolarHBondContact OD2-CB 3.49Å; D489-K492 WeakPolarHBondContact OD2-CG 3.44Å; K492-E495 WeakPolarHBondContact CD-OE2 3.4Å; K492-E495 IonicContact NZ-OE1 2.73Å; K492-E495 PolarHBondContact NZ-OE1 3.06Å; K492-E495 IonicContact NZ-OE2 3.94Å; K492-E495 PolarHBondContact NZ-OE2 2.57Å; K492-E495 PolarHBondContact O-N 2.87Å; K492-L496 WeakPolarHBondContact O-CB 3.35Å; K492-L496 PolarHBondContact O-N 2.93Å; K492-L496 VanDerWaalsContact O-N 3.08Å
493T96.8Very high96.3Very high31 Ų3154.9 Ų54.919%0.1931%0.31CS..Hα-helixtrans-66-46.2172.9-62.90000111.3Y486 D489 P490 V491 E495 L496 I497Y486-T493 PolarHBondContact N-OG1 3.03Å; Y486-T493 PolarHBondContact O-OG1 2.88Å; D489-T493 WeakPolarHBondContact O-CB 3.27Å; D489-T493 PolarHBondContact O-N 3.24Å; D489-T493 PolarHBondContact O-OG1 2.69Å; P490-T493 PolarHBondContact O-N 3.08Å; V491-T493 PolarHBondContact O-N 3.15Å; T493-E495 VanDerWaalsContact C-N 3.3Å; T493-E495 PolarHBondContact O-N 3.22Å; T493-L496 WeakPolarHBondContact O-CB 3.42Å; T493-L496 PolarHBondContact O-N 3Å; T493-L496 VanDerWaalsContact O-N 3.12Å; T493-I497 HydrophobicContact CG2-CD1 4.44Å; T493-I497 PolarHBondContact O-N 3.41Å
494A96.6Very high96.3Very high76 Ų7657.1 Ų57.163%0.62832%0.32SS*.Hα-helixtrans-68.4-27.4176.300000113.2P490 V491 L496P490-A494 WeakPolarHBondContact O-CB 3.45Å; P490-A494 PolarHBondContact O-N 3.16Å; V491-A494 PolarHBondContact O-N 2.88Å; A494-L496 VanDerWaalsContact C-N 3.34Å
495E93.9Very high96.2Very high108 Ų10852 Ų5251%0.50530%0.3SS..Hα-helixtrans-71.9-27.3170.3-71.6176.9-157.200112.9V491 K492 T493V491-E495 WeakPolarHBondContact O-CG 3.36Å; V491-E495 PolarHBondContact O-N 2.76Å; K492-E495 WeakPolarHBondContact CD-OE2 3.4Å; K492-E495 IonicContact NZ-OE1 2.73Å; K492-E495 PolarHBondContact NZ-OE1 3.06Å; K492-E495 IonicContact NZ-OE2 3.94Å; K492-E495 PolarHBondContact NZ-OE2 2.57Å; K492-E495 PolarHBondContact O-N 2.87Å; T493-E495 VanDerWaalsContact C-N 3.3Å; T493-E495 PolarHBondContact O-N 3.22Å
496L95.8Very high96Very high11 Ų1153.2 Ų53.26%0.05831%0.312CS..Hα-helixtrans-82.9-43.1-178176.370.9000112.1E428 Y486 K492 T493 A494 I503 H504E428-L496 HydrophobicContact CB-CD1 4.25Å; E428-L496 HydrophobicContact CB-CD2 4.09Å; E428-L496 HydrophobicContact CG-CD1 3.92Å; E428-L496 HydrophobicContact CG-CD2 3.7Å; E428-L496 HydrophobicContact CG-CG 4.47Å; Y486-L496 HydrophobicContact CD2-CD2 4.47Å; Y486-L496 HydrophobicContact CE1-CD2 4.49Å; Y486-L496 HydrophobicContact CE2-CB 3.93Å; Y486-L496 HydrophobicContact CE2-CD2 3.86Å; Y486-L496 HydrophobicContact CE2-CG 4.35Å; K492-L496 WeakPolarHBondContact O-CB 3.35Å; K492-L496 PolarHBondContact O-N 2.93Å; K492-L496 VanDerWaalsContact O-N 3.08Å; T493-L496 WeakPolarHBondContact O-CB 3.42Å; T493-L496 PolarHBondContact O-N 3Å; T493-L496 VanDerWaalsContact O-N 3.12Å; A494-L496 VanDerWaalsContact C-N 3.34Å; L496-I503 HydrophobicContact CD1-CG2 3.85Å; L496-I503 HydrophobicContact CG-CG1 4.45Å; L496-I503 HydrophobicContact CG-CG2 4.33Å; L496-I503 WeakPolarHBondContact O-CA 3.45Å; L496-H504 PolarHBondContact O-N 2.81Å
497I97.9Very high95.8Very high39 Ų3953.1 Ų53.120%0.231%0.312CS..BIsolated β-bridgetrans-115.4118.9-169.8-53.7172.3000109.3S483 T493 W502 I503S483-I497 WeakPolarHBondContact O-CD1 3.37Å; T493-I497 HydrophobicContact CG2-CD1 4.44Å; T493-I497 PolarHBondContact O-N 3.41Å; I497-W502 WeakPolarHBondContact CA-O 3.37Å; I497-I503 HydrophobicContact CG1-CG1 3.97Å
498D96.6Very high95.6Very high40 Ų4052.5 Ų52.521%0.21431%0.309CS..  trans-72.7173176.57612.9000112.9K456 D500 G501 W502 H504K456-D498 IonicContact NZ-OD2 2.76Å; D498-D500 PolarHBondContact O-N 2.84Å; D498-D500 VanDerWaalsContact O-N 3.14Å; D498-D500 VanDerWaalsContact OD1-C 3.3Å; D498-D500 WeakPolarHBondContact OD1-CA 3.11Å; D498-D500 WeakPolarHBondContact OD1-CB 3.12Å; D498-D500 PolarHBondContact OD1-N 3.18Å; D498-G501 PolarHBondContact O-N 3.46Å; D498-G501 PolarHBondContact OD1-N 2.97Å; D498-W502 PolarHBondContact N-O 3.17Å; D498-W502 PolarHBondContact OD1-N 3.35Å; D498-W502 WeakPolarHBondContact OD2-CB 3.43Å; D498-H504 IonicContact OD2-NE2 2.8Å
499S95.8Very high95.5Very high121 Ų12147.1 Ų47.185%0.84629%0.286SS*.THydrogen-bonded Turntrans-62.7-18.7179.556.30000114.4
500D95.2Very high95.6Very high103 Ų10346.8 Ų46.855%0.55128%0.283SS*.THydrogen-bonded Turntrans-96.24.7178.9-69.2-26.7000112.2R478 D498R478-D500 WeakPolarHBondContact CD-O 3.46Å; R478-D500 PolarHBondContact NH1-O 3.08Å; R478-D500 VanDerWaalsContact NH1-O 3.15Å; D498-D500 PolarHBondContact O-N 2.84Å; D498-D500 VanDerWaalsContact O-N 3.14Å; D498-D500 VanDerWaalsContact OD1-C 3.3Å; D498-D500 WeakPolarHBondContact OD1-CA 3.11Å; D498-D500 WeakPolarHBondContact OD1-CB 3.12Å; D498-D500 PolarHBondContact OD1-N 3.18Å
501G95.9Very high95.6Very high32 Ų3244.5 Ų44.533%0.3326%0.262SS..SBendtrans81.218.9177.400000114.7R478 D498R478-G501 WeakPolarHBondContact CG-O 3.44Å; D498-G501 PolarHBondContact O-N 3.46Å; D498-G501 PolarHBondContact OD1-N 2.97Å
502W98Very high95.7Very high7 Ų741.6 Ų41.63%0.02724%0.244CC..  trans-87.9129176.6-63.586000111.7A42 E454 K456 C476 A477 R478 I497 D498A42-W502 HydrophobicContact CB-CH2 3.99Å; A42-W502 HydrophobicContact CB-CZ2 4.38Å; E454-W502 HydrophobicContact CB-CH2 3.78Å; E454-W502 HydrophobicContact CB-CZ3 4.2Å; E454-W502 VanDerWaalsContact O-CZ3 3.3Å; E454-W502 WeakPolarHBondContact O-CZ3 3.4Å; K456-W502 HydrophobicContact CB-CH2 4.18Å; K456-W502 HydrophobicContact CB-CZ3 4.22Å; K456-W502 HydrophobicContact CD-CD2 3.86Å; K456-W502 HydrophobicContact CD-CE3 4.09Å; K456-W502 HydrophobicContact CD-CG 4.45Å; K456-W502 HydrophobicContact CD-CH2 4.05Å; K456-W502 HydrophobicContact CD-CZ2 3.81Å; K456-W502 HydrophobicContact CD-CZ3 4.18Å; K456-W502 VanDerWaalsContact CE-CG 3.47Å; K456-W502 HydrophobicContact CG-CD2 4.19Å; K456-W502 HydrophobicContact CG-CE3 3.89Å; K456-W502 HydrophobicContact CG-CH2 3.98Å; K456-W502 HydrophobicContact CG-CZ2 4.28Å; K456-W502 HydrophobicContact CG-CZ3 3.77Å; C476-W502 HydrophobicContact CB-CB 4.12Å; C476-W502 HydrophobicContact CB-CD2 4.35Å; C476-W502 HydrophobicContact CB-CE3 3.84Å; C476-W502 HydrophobicContact CB-CG 4.49Å; A477-W502 CarbonylContact O-C 3.54Å; A477-W502 WeakPolarHBondContact O-CA 3.23Å; R478-W502 HydrophobicContact CB-CD2 3.79Å; R478-W502 HydrophobicContact CB-CE3 3.62Å; R478-W502 HydrophobicContact CB-CG 4.37Å; R478-W502 HydrophobicContact CB-CH2 4.27Å; R478-W502 HydrophobicContact CB-CZ2 4.41Å; R478-W502 HydrophobicContact CB-CZ3 3.88Å; I497-W502 WeakPolarHBondContact CA-O 3.37Å; D498-W502 PolarHBondContact N-O 3.17Å; D498-W502 PolarHBondContact OD1-N 3.35Å; D498-W502 WeakPolarHBondContact OD2-CB 3.43Å
503I98.3Very high95.8Very high2 Ų247.3 Ų47.31%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-75.4123.4165.5-72.5-178.8000109.2E428 T429 C476 A477 C482 L496 I497E428-I503 HydrophobicContact CB-CD1 4.22Å; E428-I503 HydrophobicContact CB-CG2 4.39Å; E428-I503 WeakPolarHBondContact O-CD1 3.48Å; T429-I503 HydrophobicContact CG2-CD1 4.35Å; T429-I503 HydrophobicContact CG2-CG2 4.09Å; C476-I503 CarbonylContact C-O 3.47Å; C476-I503 WeakPolarHBondContact CA-O 3.45Å; A477-I503 PolarHBondContact N-O 3.24Å; A477-I503 PolarHBondContact O-N 2.95Å; C482-I503 HydrophobicContact CB-CD1 3.52Å; C482-I503 HydrophobicContact CB-CG1 4.26Å; L496-I503 HydrophobicContact CD1-CG2 3.85Å; L496-I503 HydrophobicContact CG-CG1 4.45Å; L496-I503 HydrophobicContact CG-CG2 4.33Å; L496-I503 WeakPolarHBondContact O-CA 3.45Å; I497-I503 HydrophobicContact CG1-CG1 3.97Å
504H97.3Very high95.7Very high52 Ų5248.1 Ų48.124%0.24127%0.274CS..EExtended strand (participates in β ladder)trans-83.2111168.9-72.9-99.7000109.7E474 L496 D498 G506E474-H504 WeakPolarHBondContact OE1-CB 3.31Å; E474-H504 IonicContact OE1-ND1 3.48Å; E474-H504 IonicContact OE2-CE1 2.82Å; E474-H504 IonicContact OE2-CG 2.79Å; E474-H504 IonicContact OE2-ND1 3.07Å; E474-H504 PolarHBondContact OE2-ND1 3.45Å; L496-H504 PolarHBondContact O-N 2.81Å; D498-H504 IonicContact OD2-NE2 2.8Å; H504-G506 VanDerWaalsContact C-N 3.27Å; H504-G506 PolarHBondContact O-N 3.47Å
505T95.1Very high95.7Very high18 Ų1844.5 Ų44.511%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-76.6-17.4-175.170.90000113Y424 T426 I475 D507Y424-T505 VanDerWaalsContact OH-CB 3.3Å; Y424-T505 WeakPolarHBondContact OH-CB 3.45Å; Y424-T505 PolarHBondContact OH-OG1 3.39Å; T426-T505 HydrophobicContact CG2-CG2 4.4Å; I475-T505 HydrophobicContact CB-CG2 4.49Å; I475-T505 HydrophobicContact CG2-CG2 4.29Å; I475-T505 WeakPolarHBondContact O-CG2 3.28Å; I475-T505 PolarHBondContact O-N 3.32Å; I475-T505 PolarHBondContact O-OG1 2.9Å; T505-D507 PolarHBondContact O-N 2.94Å; T505-D507 PolarHBondContact OG1-N 3.31Å
506G91.9Very high95.9Very high25 Ų2539.4 Ų39.426%0.25822%0.22SC..EExtended strand (participates in β ladder)trans71.78.9-171.300000114.1E474 H504 R522 V523E474-G506 VanDerWaalsContact OE1-CA 3.23Å; E474-G506 WeakPolarHBondContact OE1-CA 3.12Å; E474-G506 PolarHBondContact OE1-N 2.74Å; H504-G506 VanDerWaalsContact C-N 3.27Å; H504-G506 PolarHBondContact O-N 3.47Å; G506-R522 CarbonylContact O-C 3.51Å; G506-R522 WeakPolarHBondContact O-CA 3.49Å; G506-V523 WeakPolarHBondContact O-CG2 3.38Å; G506-V523 PolarHBondContact O-N 3.46Å
507D92.8Very high95.9Very high11 Ų1138.9 Ų38.96%0.05922%0.217CC..EExtended strand (participates in β ladder)trans-111142.4177.1-56-54.1000110.8Y424 E474 I475 T505 D521 R522Y424-D507 HydrophobicContact CE2-CB 4.44Å; Y424-D507 VanDerWaalsContact CE2-OD2 3.31Å; Y424-D507 WeakPolarHBondContact CE2-OD2 3.42Å; Y424-D507 WeakPolarHBondContact OH-CB 3.41Å; Y424-D507 PolarHBondContact OH-OD2 3.4Å; E474-D507 CarbonylContact C-O 3.56Å; E474-D507 WeakPolarHBondContact CA-O 3.5Å; I475-D507 HydrophobicContact CD1-CB 4.27Å; I475-D507 PolarHBondContact N-O 2.79Å; T505-D507 PolarHBondContact O-N 2.94Å; T505-D507 PolarHBondContact OG1-N 3.31Å; D507-D521 CarbonylContact C-O 3.51Å; D507-R522 WeakPolarHBondContact OD1-CG 3.4Å; D507-R522 IonicContact OD1-CZ 3.26Å; D507-R522 IonicContact OD1-NE 2.57Å; D507-R522 PolarHBondContact OD1-NE 2.77Å; D507-R522 IonicContact OD1-NH2 2.87Å
508I93.2Very high95.8Very high0 Ų041 Ų410%023%0.225CC..EExtended strand (participates in β ladder)trans-90.6132.5176.5-58.6-57.2000109.9V460 L465 R472 G473 E474 V520 D521 V523 I526V460-I508 HydrophobicContact CG2-CD1 3.79Å; L465-I508 HydrophobicContact CD1-CD1 4.27Å; R472-I508 HydrophobicContact CB-CG2 4.19Å; R472-I508 HydrophobicContact CG-CG2 4.41Å; G473-I508 CarbonylContact O-C 3.59Å; G473-I508 VanDerWaalsContact O-CA 3.31Å; G473-I508 WeakPolarHBondContact O-CA 3.45Å; E474-I508 HydrophobicContact CB-CD1 4.2Å; I508-V520 HydrophobicContact CB-CB 4.16Å; I508-V520 HydrophobicContact CG2-CB 3.89Å; I508-V520 HydrophobicContact CG2-CG1 4.32Å; I508-V520 HydrophobicContact CG2-CG2 4.21Å; I508-V520 PolarHBondContact O-N 2.77Å; I508-D521 PolarHBondContact N-O 2.99Å; I508-V523 HydrophobicContact CD1-CG2 3.52Å; I508-V523 HydrophobicContact CG1-CG2 4.18Å; I508-I526 HydrophobicContact CB-CD1 4.23Å; I508-I526 HydrophobicContact CG1-CD1 3.48Å; I508-I526 VanDerWaalsContact CG1-CD1 3.48Å
509G95.7Very high95.5Very high0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-123.5159.4176.500000113L457 R472 G473 K518L457-G509 WeakPolarHBondContact CD1-O 3.48Å; R472-G509 VanDerWaalsContact CA-O 3.25Å; R472-G509 WeakPolarHBondContact CA-O 3.33Å; R472-G509 WeakPolarHBondContact CB-O 3.24Å; G473-G509 PolarHBondContact N-O 3.31Å; G473-G509 VanDerWaalsContact N-O 3.13Å; G473-G509 PolarHBondContact O-N 2.77Å; G509-K518 VanDerWaalsContact CA-O 3.3Å; G509-K518 WeakPolarHBondContact CA-O 3.4Å
510E96Very high95Very high36 Ų3636.6 Ų36.617%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-134.3144.5166.165.3-173.5-165.600109.5G471 R472 K518 V520G471-E510 WeakPolarHBondContact O-CB 3.44Å; R472-E510 HydrophobicContact CB-CB 4.17Å; R472-E510 IonicContact CZ-OE2 3.98Å; R472-E510 IonicContact NH1-OE2 2.76Å; R472-E510 IonicContact NH2-OE2 3.85Å; R472-E510 PolarHBondContact NH2-OE2 3.07Å; E510-K518 HydrophobicContact CG-CB 4.01Å; E510-K518 HydrophobicContact CG-CD 4.38Å; E510-K518 HydrophobicContact CG-CG 4.31Å; E510-K518 PolarHBondContact N-O 3.47Å; E510-K518 PolarHBondContact O-N 3.08Å; E510-K518 WeakPolarHBondContact OE1-CD 3.26Å; E510-K518 WeakPolarHBondContact OE1-CE 3.37Å; E510-K518 IonicContact OE1-NZ 3.96Å; E510-K518 PolarHBondContact OE1-NZ 2.9Å; E510-V520 HydrophobicContact CB-CG2 4.32Å; E510-V520 HydrophobicContact CG-CG2 3.95Å
511W97.3Very high94.3Very high53 Ų5331.8 Ų31.820%0.20117%0.167CC..EExtended strand (participates in β ladder)trans-86139.6176.4-66.8112000110.9R43 V449 L455 L457 L517R43-W511 HydrophobicContact CB-CH2 4.36Å; R43-W511 HydrophobicContact CB-CZ2 4.21Å; R43-W511 VanDerWaalsContact CD-CD2 3.49Å; R43-W511 HydrophobicContact CG-CZ2 4.07Å; V449-W511 HydrophobicContact CG2-CH2 3.69Å; V449-W511 HydrophobicContact CG2-CZ3 4.14Å; L455-W511 HydrophobicContact CB-CH2 4.07Å; L455-W511 HydrophobicContact CB-CZ2 4.05Å; L455-W511 HydrophobicContact CD1-CH2 4.22Å; L457-W511 VanDerWaalsContact CD1-CD1 3.49Å; L457-W511 HydrophobicContact CD1-CG 4.35Å; W511-L517 HydrophobicContact CD2-CD1 4.32Å; W511-L517 HydrophobicContact CE3-CB 4.23Å; W511-L517 HydrophobicContact CE3-CD1 4.19Å; W511-L517 HydrophobicContact CH2-CB 4.38Å; W511-L517 HydrophobicContact CH2-CD1 4.21Å; W511-L517 HydrophobicContact CZ2-CD1 4.34Å; W511-L517 HydrophobicContact CZ3-CB 3.82Å; W511-L517 HydrophobicContact CZ3-CD1 4.14Å
512T96.4Very high93.6Very high34 Ų3434.9 Ų34.921%0.20917%0.168CC..  trans-80.9167.6165.566.60000111.2T445 E514 G515 S516T445-T512 HydrophobicContact CG2-CG2 3.83Å; T512-E514 PolarHBondContact O-N 2.9Å; T512-G515 PolarHBondContact O-N 3.08Å; T512-G515 PolarHBondContact OG1-N 3.49Å; T512-S516 WeakPolarHBondContact CG2-OG 3.27Å; T512-S516 PolarHBondContact N-O 3.43Å; T512-S516 PolarHBondContact OG1-N 3.12Å; T512-S516 PolarHBondContact OG1-O 3.12Å; T512-S516 PolarHBondContact OG1-OG 3.24Å
513E95Very high92.8Very high195 Ų19535.9 Ų35.991%0.91118%0.175SC*.THydrogen-bonded Turntrans-58.7-35.5174.7-66.4-179-179.200112.1G515E513-G515 PolarHBondContact O-N 2.92Å
514E95.6Very high91.8Very high48 Ų4843 Ų4322%0.22421%0.206CC..THydrogen-bonded Turntrans-78.4-0.5176.7-5996.8151.200113.6N30 Q31 Q32 R442 T512N30-E514 HydrophobicContact CB-CG 4.5Å; Q31-E514 CarbonylContact C-O 3.55Å; Q31-E514 WeakPolarHBondContact CA-O 3.47Å; Q32-E514 PolarHBondContact N-O 3.01Å; R442-E514 IonicContact CZ-OE1 3.54Å; R442-E514 IonicContact NE-OE1 2.78Å; R442-E514 VanDerWaalsContact NH1-CD 3.32Å; R442-E514 IonicContact NH1-OE1 3.09Å; R442-E514 PolarHBondContact NH1-OE1 3.32Å; T512-E514 PolarHBondContact O-N 2.9Å
515G96.7Very high90.7Very high0 Ų041.1 Ų41.10%020%0.199CC..SBendtrans76.222.5-179.100000114S33 T512 E513S33-G515 WeakPolarHBondContact CB-O 3.34Å; S33-G515 WeakPolarHBondContact OG-CA 3.39Å; S33-G515 PolarHBondContact OG-O 2.68Å; T512-G515 PolarHBondContact O-N 3.08Å; T512-G515 PolarHBondContact OG1-N 3.49Å; E513-G515 PolarHBondContact O-N 2.92Å
516S97Very high89.7Confident0 Ų041.1 Ų41.10%020%0.198CC..  trans-85.6151.1165.967.40000110.7G447 T512G447-S516 CarbonylContact O-C 3.53Å; G447-S516 VanDerWaalsContact O-CA 3.26Å; G447-S516 WeakPolarHBondContact O-CA 3.24Å; T512-S516 WeakPolarHBondContact CG2-OG 3.27Å; T512-S516 PolarHBondContact N-O 3.43Å; T512-S516 PolarHBondContact OG1-N 3.12Å; T512-S516 PolarHBondContact OG1-O 3.12Å; T512-S516 PolarHBondContact OG1-OG 3.24Å
517L97.4Very high89.1Confident0 Ų040.7 Ų40.70%019%0.189CC..EExtended strand (participates in β ladder)trans-90.2138.8179.4-172.865.8000110.2Y424 T434 T445 V446 G447 L455 L457 I475 W511 I519Y424-L517 HydrophobicContact CD1-CD2 4.23Å; T434-L517 HydrophobicContact CG2-CB 4.22Å; T434-L517 HydrophobicContact CG2-CD2 3.85Å; T445-L517 CarbonylContact C-O 3.56Å; T445-L517 WeakPolarHBondContact CA-O 3.32Å; T445-L517 WeakPolarHBondContact CB-O 3.44Å; V446-L517 HydrophobicContact CG2-CB 3.93Å; V446-L517 HydrophobicContact CG2-CD2 4.17Å; V446-L517 HydrophobicContact CG2-CG 4.13Å; V446-L517 WeakPolarHBondContact CG2-O 3.37Å; V446-L517 PolarHBondContact N-O 3.47Å; G447-L517 PolarHBondContact O-N 3.12Å; L455-L517 HydrophobicContact CD1-CD2 4.32Å; L457-L517 HydrophobicContact CD2-CD1 4.39Å; I475-L517 HydrophobicContact CD1-CD1 4.46Å; I475-L517 HydrophobicContact CD1-CD2 3.88Å; I475-L517 HydrophobicContact CD1-CG 4.48Å; I475-L517 HydrophobicContact CG1-CD1 4.38Å; I475-L517 HydrophobicContact CG1-CD2 4.26Å; I475-L517 HydrophobicContact CG2-CD2 4.36Å; W511-L517 HydrophobicContact CD2-CD1 4.32Å; W511-L517 HydrophobicContact CE3-CB 4.23Å; W511-L517 HydrophobicContact CE3-CD1 4.19Å; W511-L517 HydrophobicContact CH2-CB 4.38Å; W511-L517 HydrophobicContact CH2-CD1 4.21Å; W511-L517 HydrophobicContact CZ2-CD1 4.34Å; W511-L517 HydrophobicContact CZ3-CB 3.82Å; W511-L517 HydrophobicContact CZ3-CD1 4.14Å; L517-I519 HydrophobicContact CD2-CD1 4.06Å; L517-I519 HydrophobicContact CG-CD1 4.31Å
518K93.9Very high88Confident83 Ų8343.5 Ų43.536%0.36120%0.201SC..EExtended strand (participates in β ladder)trans-118.5128.4168.1173.8170.3165.1-140.40109.4G444 G509 E510G444-K518 WeakPolarHBondContact O-CG 3.48Å; G509-K518 VanDerWaalsContact CA-O 3.3Å; G509-K518 WeakPolarHBondContact CA-O 3.4Å; E510-K518 HydrophobicContact CG-CB 4.01Å; E510-K518 HydrophobicContact CG-CD 4.38Å; E510-K518 HydrophobicContact CG-CG 4.31Å; E510-K518 PolarHBondContact N-O 3.47Å; E510-K518 PolarHBondContact O-N 3.08Å; E510-K518 WeakPolarHBondContact OE1-CD 3.26Å; E510-K518 WeakPolarHBondContact OE1-CE 3.37Å; E510-K518 IonicContact OE1-NZ 3.96Å; E510-K518 PolarHBondContact OE1-NZ 2.9Å
519I90.7Very high87Confident45 Ų4543.6 Ų43.623%0.23120%0.201CC..EExtended strand (participates in β ladder)trans-79.4131.3174.8-51-54.9000108.7Y424 V446 I475 L517Y424-I519 HydrophobicContact CD1-CD1 3.89Å; Y424-I519 HydrophobicContact CD2-CD1 3.67Å; Y424-I519 HydrophobicContact CD2-CG1 3.93Å; Y424-I519 HydrophobicContact CE1-CD1 4.01Å; Y424-I519 HydrophobicContact CE2-CD1 3.8Å; Y424-I519 HydrophobicContact CE2-CG1 4.34Å; Y424-I519 HydrophobicContact CG-CD1 3.72Å; Y424-I519 HydrophobicContact CG-CG1 4.22Å; V446-I519 HydrophobicContact CG1-CG1 3.92Å; V446-I519 HydrophobicContact CG2-CD1 3.92Å; V446-I519 HydrophobicContact CG2-CG1 3.91Å; I475-I519 HydrophobicContact CD1-CD1 3.5Å; I475-I519 VanDerWaalsContact CD1-CD1 3.5Å; L517-I519 HydrophobicContact CD2-CD1 4.06Å; L517-I519 HydrophobicContact CG-CD1 4.31Å
520V86.7Confident85.8Confident25 Ų2546.6 Ų46.615%0.15223%0.226CC..EExtended strand (participates in β ladder)trans-98.6-58.9-178.3179.30000110.6I508 E510 A536I508-V520 HydrophobicContact CB-CB 4.16Å; I508-V520 HydrophobicContact CG2-CB 3.89Å; I508-V520 HydrophobicContact CG2-CG1 4.32Å; I508-V520 HydrophobicContact CG2-CG2 4.21Å; I508-V520 PolarHBondContact O-N 2.77Å; E510-V520 HydrophobicContact CB-CG2 4.32Å; E510-V520 HydrophobicContact CG-CG2 3.95Å; V520-A536 HydrophobicContact CG1-CB 4.44Å
521D80.5Confident84.3Confident2 Ų249 Ų491%0.01124%0.237CC..EExtended strand (participates in β ladder)trans-171.6-166.7177.8-147.5-57000109.4D507 I508 S525 I526 A536 P537 E538D507-D521 CarbonylContact C-O 3.51Å; I508-D521 PolarHBondContact N-O 2.99Å; D521-S525 VanDerWaalsContact OD1-CB 3.27Å; D521-S525 WeakPolarHBondContact OD1-CB 3.49Å; D521-I526 HydrophobicContact CB-CD1 4.02Å; D521-I526 HydrophobicContact CB-CG1 3.77Å; D521-A536 HydrophobicContact CB-CB 3.71Å; D521-A536 WeakPolarHBondContact OD2-CA 3.43Å; D521-A536 WeakPolarHBondContact OD2-CB 3.16Å; D521-P537 WeakPolarHBondContact OD2-CD 3.41Å; D521-E538 WeakPolarHBondContact OD2-CB 3.47Å; D521-E538 PolarHBondContact OD2-N 2.81Å
522R80.5Confident82.4Confident97 Ų9747.9 Ų47.937%0.36624%0.242SC..EExtended strand (participates in β ladder)trans-97.4143.9169.6-52.3-160.9135.5170.4-3.9112.7G506 D507 K524 S525 I526G506-R522 CarbonylContact O-C 3.51Å; G506-R522 WeakPolarHBondContact O-CA 3.49Å; D507-R522 WeakPolarHBondContact OD1-CG 3.4Å; D507-R522 IonicContact OD1-CZ 3.26Å; D507-R522 IonicContact OD1-NE 2.57Å; D507-R522 PolarHBondContact OD1-NE 2.77Å; D507-R522 IonicContact OD1-NH2 2.87Å; R522-K524 VanDerWaalsContact C-N 3.27Å; R522-K524 PolarHBondContact O-N 3.12Å; R522-S525 PolarHBondContact O-N 2.7Å; R522-I526 WeakPolarHBondContact O-CG1 3.32Å; R522-I526 PolarHBondContact O-N 3.13Å
523V80Confident81.3Confident27 Ų2750 Ų5016%0.16425%0.249CC..THydrogen-bonded Turntrans-49.3-48.9173.7173.90000111V460 L463 E474 G506 I508 S525V460-V523 HydrophobicContact CG1-CG1 3.88Å; V460-V523 HydrophobicContact CG2-CG2 4.5Å; L463-V523 HydrophobicContact CD1-CG1 4.33Å; E474-V523 HydrophobicContact CB-CG2 4.1Å; E474-V523 HydrophobicContact CG-CG2 4.19Å; G506-V523 WeakPolarHBondContact O-CG2 3.38Å; G506-V523 PolarHBondContact O-N 3.46Å; I508-V523 HydrophobicContact CD1-CG2 3.52Å; I508-V523 HydrophobicContact CG1-CG2 4.18Å; V523-S525 VanDerWaalsContact C-N 3.31Å; V523-S525 PolarHBondContact O-N 3.29Å
524K77.2Confident80.3Confident151 Ų15143 Ų4366%0.65722%0.215SC*.THydrogen-bonded Turntrans-77.9-10.4-177.9-64.3-175.3178.51790114.6R522R522-K524 VanDerWaalsContact C-N 3.27Å; R522-K524 PolarHBondContact O-N 3.12Å
525S74.2Confident79.5Confident13 Ų1340.8 Ų40.89%0.09120%0.204CC..THydrogen-bonded Turntrans-96.4-30.2179.3-64.50000112.2D521 R522 V523 P537 R650D521-S525 VanDerWaalsContact OD1-CB 3.27Å; D521-S525 WeakPolarHBondContact OD1-CB 3.49Å; R522-S525 PolarHBondContact O-N 2.7Å; V523-S525 VanDerWaalsContact C-N 3.31Å; V523-S525 PolarHBondContact O-N 3.29Å; S525-P537 WeakPolarHBondContact O-CD 3.24Å; S525-P537 WeakPolarHBondContact O-CG 3.34Å; S525-R650 WeakPolarHBondContact OG-CD 3.26Å
526I76Confident78.8Confident19 Ų1941.3 Ų41.310%0.09721%0.209CC..  trans-64.3136.8177.7-68168000109.5L463 I508 D521 R522 Y534 I535L463-I526 HydrophobicContact CD1-CB 3.93Å; L463-I526 HydrophobicContact CD1-CD1 4.12Å; L463-I526 HydrophobicContact CD1-CG2 3.98Å; L463-I526 HydrophobicContact CD2-CB 4.37Å; L463-I526 HydrophobicContact CD2-CG2 4.06Å; I508-I526 HydrophobicContact CB-CD1 4.23Å; I508-I526 HydrophobicContact CG1-CD1 3.48Å; I508-I526 VanDerWaalsContact CG1-CD1 3.48Å; D521-I526 HydrophobicContact CB-CD1 4.02Å; D521-I526 HydrophobicContact CB-CG1 3.77Å; R522-I526 WeakPolarHBondContact O-CG1 3.32Å; R522-I526 PolarHBondContact O-N 3.13Å; I526-Y534 HydrophobicContact CG2-CD1 3.74Å; I526-Y534 HydrophobicContact CG2-CG 4.3Å; I526-I535 WeakPolarHBondContact CA-O 3.38Å
527F77.4Confident78.5Confident16 Ų1641.4 Ų41.47%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-127.2148.7171.453.9-101000110.7L529 I535 P537 I555 G557 P564F527-L529 HydrophobicContact CD2-CD2 4.09Å; F527-L529 HydrophobicContact CE2-CD2 3.91Å; F527-L529 HydrophobicContact CE2-CG 4.49Å; F527-I535 HydrophobicContact CD2-CB 3.67Å; F527-I535 HydrophobicContact CD2-CG1 4.08Å; F527-I535 HydrophobicContact CD2-CG2 4.24Å; F527-I535 HydrophobicContact CE1-CB 4.31Å; F527-I535 HydrophobicContact CE1-CG2 3.86Å; F527-I535 HydrophobicContact CE2-CB 3.24Å; F527-I535 HydrophobicContact CE2-CG1 3.52Å; F527-I535 HydrophobicContact CE2-CG2 3.44Å; F527-I535 VanDerWaalsContact CE2-CG2 3.44Å; F527-I535 HydrophobicContact CG-CB 4.37Å; F527-I535 HydrophobicContact CZ-CB 3.63Å; F527-I535 HydrophobicContact CZ-CG1 4.23Å; F527-I535 HydrophobicContact CZ-CG2 3.22Å; F527-I535 PolarHBondContact N-O 2.99Å; F527-I535 PolarHBondContact O-N 2.71Å; F527-P537 HydrophobicContact CE1-CB 3.97Å; F527-P537 HydrophobicContact CE1-CG 4.15Å; F527-I555 HydrophobicContact CE1-CG2 4.5Å; F527-I555 HydrophobicContact CZ-CG2 4.17Å; F527-G557 VanDerWaalsContact CD2-CA 3.49Å; F527-P564 HydrophobicContact CE2-CB 4.22Å; F527-P564 HydrophobicContact CZ-CB 4Å
528K70.1Confident77.9Confident70 Ų7043.7 Ų43.730%0.30422%0.22SC..EExtended strand (participates in β ladder)trans-87.2143.5172-158.4176.7-168.2151.60109.1D464 G532 Y534 S559D464-K528 IonicContact OD2-NZ 3.04Å; K528-G532 VanDerWaalsContact CE-CA 3.45Å; K528-G532 WeakPolarHBondContact CE-O 3.45Å; K528-Y534 HydrophobicContact CB-CD1 3.99Å; K528-Y534 HydrophobicContact CB-CE1 3.56Å; K528-Y534 HydrophobicContact CD-CE1 3.89Å; K528-Y534 HydrophobicContact CD-CE2 4.45Å; K528-Y534 VanDerWaalsContact CD-OH 3.26Å; K528-Y534 WeakPolarHBondContact CD-OH 3.4Å; K528-Y534 VanDerWaalsContact CE-OH 3.23Å; K528-Y534 WeakPolarHBondContact CE-OH 3.47Å; K528-Y534 HydrophobicContact CG-CD1 4.16Å; K528-Y534 HydrophobicContact CG-CE1 3.61Å; K528-Y534 HydrophobicContact CG-CE2 4.38Å; K528-Y534 PolarHBondContact NZ-OH 2.84Å; K528-S559 WeakPolarHBondContact O-CA 3.31Å; K528-S559 PolarHBondContact O-N 2.67Å
529L72Confident77.4Confident2 Ų244.3 Ų44.31%0.0122%0.223CC..  trans-97.4165.9167.8-63.4177.1000110.3F527 Q531 G532 E533 I535 K561 F622F527-L529 HydrophobicContact CD2-CD2 4.09Å; F527-L529 HydrophobicContact CE2-CD2 3.91Å; F527-L529 HydrophobicContact CE2-CG 4.49Å; L529-Q531 PolarHBondContact O-N 2.95Å; L529-Q531 VanDerWaalsContact O-N 3.14Å; L529-G532 WeakPolarHBondContact O-CA 3.43Å; L529-G532 PolarHBondContact O-N 3.32Å; L529-E533 PolarHBondContact N-O 3.47Å; L529-I535 HydrophobicContact CD1-CD1 3.94Å; L529-I535 HydrophobicContact CD1-CG1 3.61Å; L529-I535 HydrophobicContact CD2-CG1 4.42Å; L529-I535 HydrophobicContact CG-CG1 3.83Å; L529-K561 CarbonylContact C-O 3.59Å; L529-K561 WeakPolarHBondContact CA-O 3.37Å; L529-K561 WeakPolarHBondContact CB-O 3.44Å; L529-K561 WeakPolarHBondContact CD2-O 3.5Å; L529-F622 HydrophobicContact CD1-CB 4.19Å; L529-F622 HydrophobicContact CD1-CD2 4.47Å; L529-F622 WeakPolarHBondContact CD1-O 3.49Å
530A71.2Confident77.2Confident62 Ų6242.2 Ų42.251%0.51221%0.212SC..THydrogen-bonded Turntrans-57.3-30.7-17600000114.5G532 S559 K561A530-G532 PolarHBondContact O-N 3.16Å; A530-S559 WeakPolarHBondContact CA-O 3.42Å; A530-S559 PolarHBondContact N-O 3.32Å; A530-K561 PolarHBondContact N-O 3.49Å
531Q64.1Low77.5Confident87 Ų8742 Ų4241%0.40721%0.21SC..THydrogen-bonded Turntrans-78.21.7175.168-87.925.200114L529 E533 N562 F622L529-Q531 PolarHBondContact O-N 2.95Å; L529-Q531 VanDerWaalsContact O-N 3.14Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 HydrophobicContact CG-CB 4Å; Q531-E533 HydrophobicContact CG-CG 3.68Å; Q531-E533 PolarHBondContact O-N 3.01Å; Q531-N562 PolarHBondContact NE2-O 3.42Å; Q531-N562 PolarHBondContact OE1-O 2.95Å; Q531-F622 VanDerWaalsContact NE2-CB 3.27Å
532G58.5Low77.7Confident29 Ų2944.6 Ų44.630%0.29922%0.222SC..SBendtrans87.4-5.6179.400000115.5K528 L529 A530K528-G532 VanDerWaalsContact CE-CA 3.45Å; K528-G532 WeakPolarHBondContact CE-O 3.45Å; L529-G532 WeakPolarHBondContact O-CA 3.43Å; L529-G532 PolarHBondContact O-N 3.32Å; A530-G532 PolarHBondContact O-N 3.16Å
533E73.5Confident77.9Confident79 Ų7941 Ų4137%0.36921%0.211SC..  trans-69.7138.1176.5-68.1-72.1172.100111.4L529 Q531 F622L529-E533 PolarHBondContact N-O 3.47Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 HydrophobicContact CG-CB 4Å; Q531-E533 HydrophobicContact CG-CG 3.68Å; Q531-E533 PolarHBondContact O-N 3.01Å; E533-F622 HydrophobicContact CB-CD1 4.47Å; E533-F622 HydrophobicContact CB-CD2 3.82Å; E533-F622 HydrophobicContact CB-CE1 4.4Å; E533-F622 HydrophobicContact CB-CE2 3.79Å; E533-F622 HydrophobicContact CB-CG 4.18Å; E533-F622 HydrophobicContact CB-CZ 4.07Å; E533-F622 VanDerWaalsContact CD-CZ 3.48Å; E533-F622 HydrophobicContact CG-CD1 3.93Å; E533-F622 HydrophobicContact CG-CD2 4.18Å; E533-F622 HydrophobicContact CG-CE1 3.78Å; E533-F622 HydrophobicContact CG-CE2 4.09Å; E533-F622 HydrophobicContact CG-CG 4.11Å; E533-F622 HydrophobicContact CG-CZ 3.86Å; E533-F622 WeakPolarHBondContact OE2-CZ 3.44Å
534Y73.1Confident78.5Confident49 Ų4939.8 Ų39.819%0.19220%0.203CC..EExtended strand (participates in β ladder)trans-93.8137.7175.3-69.9-79.6000111.5L463 D464 L465 I526 K528L463-Y534 VanDerWaalsContact C-CZ 3.49Å; L463-Y534 HydrophobicContact CB-CE1 4.05Å; L463-Y534 HydrophobicContact CD2-CD1 4.42Å; L463-Y534 HydrophobicContact CD2-CE1 4.16Å; L463-Y534 WeakPolarHBondContact O-CE1 3.4Å; L463-Y534 WeakPolarHBondContact O-CE2 3.48Å; L463-Y534 PolarHBondContact O-OH 2.91Å; D464-Y534 WeakPolarHBondContact CB-OH 3.26Å; L465-Y534 HydrophobicContact CD2-CD2 4.32Å; I526-Y534 HydrophobicContact CG2-CD1 3.74Å; I526-Y534 HydrophobicContact CG2-CG 4.3Å; K528-Y534 HydrophobicContact CB-CD1 3.99Å; K528-Y534 HydrophobicContact CB-CE1 3.56Å; K528-Y534 HydrophobicContact CD-CE1 3.89Å; K528-Y534 HydrophobicContact CD-CE2 4.45Å; K528-Y534 VanDerWaalsContact CD-OH 3.26Å; K528-Y534 WeakPolarHBondContact CD-OH 3.4Å; K528-Y534 VanDerWaalsContact CE-OH 3.23Å; K528-Y534 WeakPolarHBondContact CE-OH 3.47Å; K528-Y534 HydrophobicContact CG-CD1 4.16Å; K528-Y534 HydrophobicContact CG-CE1 3.61Å; K528-Y534 HydrophobicContact CG-CE2 4.38Å; K528-Y534 PolarHBondContact NZ-OH 2.84Å
535I78.6Confident79Confident0 Ų037.3 Ų37.30%019%0.194CC..EExtended strand (participates in β ladder)trans-111.1124.1176.3-64.6-62000109.5I526 F527 L529 P537 I540 F622 E623I526-I535 WeakPolarHBondContact CA-O 3.38Å; F527-I535 HydrophobicContact CD2-CB 3.67Å; F527-I535 HydrophobicContact CD2-CG1 4.08Å; F527-I535 HydrophobicContact CD2-CG2 4.24Å; F527-I535 HydrophobicContact CE1-CB 4.31Å; F527-I535 HydrophobicContact CE1-CG2 3.86Å; F527-I535 HydrophobicContact CE2-CB 3.24Å; F527-I535 HydrophobicContact CE2-CG1 3.52Å; F527-I535 HydrophobicContact CE2-CG2 3.44Å; F527-I535 VanDerWaalsContact CE2-CG2 3.44Å; F527-I535 HydrophobicContact CG-CB 4.37Å; F527-I535 HydrophobicContact CZ-CB 3.63Å; F527-I535 HydrophobicContact CZ-CG1 4.23Å; F527-I535 HydrophobicContact CZ-CG2 3.22Å; F527-I535 PolarHBondContact N-O 2.99Å; F527-I535 PolarHBondContact O-N 2.71Å; L529-I535 HydrophobicContact CD1-CD1 3.94Å; L529-I535 HydrophobicContact CD1-CG1 3.61Å; L529-I535 HydrophobicContact CD2-CG1 4.42Å; L529-I535 HydrophobicContact CG-CG1 3.83Å; I535-P537 WeakPolarHBondContact O-CD 3.29Å; I535-I540 HydrophobicContact CD1-CD1 4Å; I535-I540 HydrophobicContact CG2-CD1 3.38Å; I535-F622 HydrophobicContact CD1-CD2 3.63Å; I535-F622 HydrophobicContact CD1-CE2 3.99Å; I535-E623 HydrophobicContact CD1-CB 4.37Å; I535-E623 HydrophobicContact CD1-CG 3.88Å
536A83.3Confident79.6Confident12 Ų1239.4 Ų39.410%0.09920%0.201CC..  trans-89.395.7162.900000108.3V520 D521 E538 K539 I540V520-A536 HydrophobicContact CG1-CB 4.44Å; D521-A536 HydrophobicContact CB-CB 3.71Å; D521-A536 WeakPolarHBondContact OD2-CA 3.43Å; D521-A536 WeakPolarHBondContact OD2-CB 3.16Å; A536-E538 VanDerWaalsContact C-N 3.26Å; A536-E538 PolarHBondContact O-N 3.31Å; A536-K539 HydrophobicContact CB-CB 4.04Å; A536-K539 WeakPolarHBondContact O-CB 3.49Å; A536-K539 PolarHBondContact O-N 2.67Å; A536-I540 PolarHBondContact O-N 3.07Å
537P89.3Confident80.3Confident1 Ų138.9 Ų38.91%0.00620%0.198CC..Hα-helixtrans-61.5-32.7-175.226.1-36.1000112.8D521 S525 F527 I535 K539 I540 E541 I555D521-P537 WeakPolarHBondContact OD2-CD 3.41Å; S525-P537 WeakPolarHBondContact O-CD 3.24Å; S525-P537 WeakPolarHBondContact O-CG 3.34Å; F527-P537 HydrophobicContact CE1-CB 3.97Å; F527-P537 HydrophobicContact CE1-CG 4.15Å; I535-P537 WeakPolarHBondContact O-CD 3.29Å; P537-K539 VanDerWaalsContact C-N 3.35Å; P537-K539 PolarHBondContact O-N 2.94Å; P537-I540 PolarHBondContact O-N 3.45Å; P537-I540 VanDerWaalsContact O-N 3.14Å; P537-E541 WeakPolarHBondContact O-CB 3.45Å; P537-E541 VanDerWaalsContact O-CG 3.27Å; P537-E541 WeakPolarHBondContact O-CG 3.39Å; P537-E541 PolarHBondContact O-N 3.32Å; P537-I555 HydrophobicContact CB-CB 4.1Å; P537-I555 HydrophobicContact CB-CG2 4.18Å
538E85.3Confident80.9Confident49 Ų4946.2 Ų46.223%0.22923%0.226CC..Hα-helixtrans-64.1-41.9-179.3-70.6-173.3-174.400111.5D521 A536 I540 E541 M542 R650D521-E538 WeakPolarHBondContact OD2-CB 3.47Å; D521-E538 PolarHBondContact OD2-N 2.81Å; A536-E538 VanDerWaalsContact C-N 3.26Å; A536-E538 PolarHBondContact O-N 3.31Å; E538-I540 VanDerWaalsContact C-N 3.25Å; E538-I540 PolarHBondContact O-N 3.22Å; E538-E541 PolarHBondContact O-N 2.99Å; E538-M542 WeakPolarHBondContact O-CB 3.32Å; E538-M542 VanDerWaalsContact O-CG 3.24Å; E538-M542 WeakPolarHBondContact O-CG 3.11Å; E538-M542 PolarHBondContact O-N 2.96Å; E538-R650 VanDerWaalsContact CG-CZ 3.42Å; E538-R650 IonicContact OE1-CZ 3.78Å; E538-R650 IonicContact OE1-NH1 3.14Å; E538-R650 PolarHBondContact OE1-NH1 3.29Å
539K82.3Confident82Confident96 Ų9643.2 Ų43.242%0.41721%0.213SC..Hα-helixtrans-55.9-44.1174.3176.8-164.5169.1-1650111A536 P537 V543 E623A536-K539 HydrophobicContact CB-CB 4.04Å; A536-K539 WeakPolarHBondContact O-CB 3.49Å; A536-K539 PolarHBondContact O-N 2.67Å; P537-K539 VanDerWaalsContact C-N 3.35Å; P537-K539 PolarHBondContact O-N 2.94Å; K539-V543 PolarHBondContact O-N 2.84Å; K539-E623 IonicContact NZ-OE1 3.47Å; K539-E623 PolarHBondContact NZ-OE1 2.96Å; K539-E623 IonicContact NZ-OE2 2.7Å
540I88.2Confident83.1Confident0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-75.2-42.4-175-59.9175.4000110.4I535 A536 P537 E538 M542 V543 Y544 I555 L619 E623I535-I540 HydrophobicContact CD1-CD1 4Å; I535-I540 HydrophobicContact CG2-CD1 3.38Å; A536-I540 PolarHBondContact O-N 3.07Å; P537-I540 PolarHBondContact O-N 3.45Å; P537-I540 VanDerWaalsContact O-N 3.14Å; E538-I540 VanDerWaalsContact C-N 3.25Å; E538-I540 PolarHBondContact O-N 3.22Å; I540-M542 VanDerWaalsContact C-N 3.32Å; I540-M542 PolarHBondContact O-N 3.3Å; I540-V543 WeakPolarHBondContact O-CA 3.49Å; I540-V543 WeakPolarHBondContact O-CB 3.5Å; I540-V543 PolarHBondContact O-N 3.21Å; I540-Y544 HydrophobicContact CG2-CD2 3.64Å; I540-Y544 HydrophobicContact CG2-CE2 3.33Å; I540-Y544 VanDerWaalsContact O-CD2 3.31Å; I540-Y544 WeakPolarHBondContact O-CD2 3.26Å; I540-Y544 PolarHBondContact O-N 3.33Å; I540-I555 HydrophobicContact CB-CD1 3.67Å; I540-I555 HydrophobicContact CG2-CD1 3.28Å; I540-L619 HydrophobicContact CG1-CD2 4.43Å; I540-L619 HydrophobicContact CG2-CD1 3.87Å; I540-E623 HydrophobicContact CD1-CB 3.78Å; I540-E623 HydrophobicContact CD1-CG 4.15Å; I540-E623 HydrophobicContact CG1-CB 4.25Å; I540-E623 WeakPolarHBondContact CG2-O 3.07Å
541E91.5Very high84.1Confident21 Ų2143.7 Ų43.710%0.09821%0.212CC..Hα-helixtrans-57-45.9173.3-72.7169.3-175.700111P537 E538 V543 Y544 Q545 I553 I555 R650P537-E541 WeakPolarHBondContact O-CB 3.45Å; P537-E541 VanDerWaalsContact O-CG 3.27Å; P537-E541 WeakPolarHBondContact O-CG 3.39Å; P537-E541 PolarHBondContact O-N 3.32Å; E538-E541 PolarHBondContact O-N 2.99Å; E541-V543 PolarHBondContact O-N 2.85Å; E541-Y544 PolarHBondContact O-N 2.84Å; E541-Q545 WeakPolarHBondContact O-CG 3.36Å; E541-Q545 PolarHBondContact O-N 3.3Å; E541-I553 HydrophobicContact CB-CG2 4Å; E541-I553 HydrophobicContact CG-CG2 3.98Å; E541-I555 HydrophobicContact CB-CD1 4.38Å; E541-I555 HydrophobicContact CG-CB 4.02Å; E541-I555 HydrophobicContact CG-CD1 3.57Å; E541-I555 HydrophobicContact CG-CG1 3.57Å; E541-I555 PolarHBondContact OE1-N 3.25Å; E541-R650 IonicContact OE1-CZ 2.69Å; E541-R650 IonicContact OE1-NH2 2.69Å; E541-R650 PolarHBondContact OE1-NH2 3.18Å; E541-R650 IonicContact OE2-CZ 3.12Å; E541-R650 IonicContact OE2-NH1 2.75Å; E541-R650 IonicContact OE2-NH2 2.76Å; E541-R650 PolarHBondContact OE2-NH2 3.48Å
542M84.8Confident85.6Confident57 Ų5741.5 Ų41.528%0.28120%0.201SC..Hα-helixtrans-58.9-32.4175.2-74.6179.47200113P404 E538 I540P404-M542 HydrophobicContact CB-CE 4.11Å; P404-M542 HydrophobicContact CB-SD 3.98Å; E538-M542 WeakPolarHBondContact O-CB 3.32Å; E538-M542 VanDerWaalsContact O-CG 3.24Å; E538-M542 WeakPolarHBondContact O-CG 3.11Å; E538-M542 PolarHBondContact O-N 2.96Å; I540-M542 VanDerWaalsContact C-N 3.32Å; I540-M542 PolarHBondContact O-N 3.3Å
543V85.5Confident87.4Confident22 Ų2240.6 Ų40.613%0.13319%0.19CC..Hα-helixtrans-72.7-43.1173.5167.20000111.2K539 I540 E541 Q545 Y546 V613 K617 L619K539-V543 PolarHBondContact O-N 2.84Å; I540-V543 WeakPolarHBondContact O-CA 3.49Å; I540-V543 WeakPolarHBondContact O-CB 3.5Å; I540-V543 PolarHBondContact O-N 3.21Å; E541-V543 PolarHBondContact O-N 2.85Å; V543-Q545 VanDerWaalsContact C-N 3.26Å; V543-Q545 PolarHBondContact O-N 2.79Å; V543-Y546 WeakPolarHBondContact O-CB 3.29Å; V543-Y546 WeakPolarHBondContact O-CD2 3.13Å; V543-Y546 PolarHBondContact O-N 2.75Å; V543-V613 WeakPolarHBondContact O-CG1 3.46Å; V543-K617 HydrophobicContact CG1-CB 3.55Å; V543-K617 HydrophobicContact CG1-CG 3.9Å; V543-K617 HydrophobicContact CG2-CB 4.4Å; V543-L619 HydrophobicContact CB-CD1 3.95Å; V543-L619 HydrophobicContact CB-CD2 4.44Å; V543-L619 HydrophobicContact CB-CG 4.3Å; V543-L619 HydrophobicContact CG1-CD1 3.58Å; V543-L619 HydrophobicContact CG1-CD2 4.48Å; V543-L619 HydrophobicContact CG1-CG 3.85Å; V543-L619 HydrophobicContact CG2-CD1 4.47Å; V543-L619 HydrophobicContact CG2-CD2 4.07Å; V543-L619 HydrophobicContact CG2-CG 4.32Å
544Y92.7Very high88.5Confident0 Ų037 Ų370%017%0.172CC..Hα-helixtrans-68.4-23.2179.3-76.9-59.9000113.4I540 E541 Y546 C547 I550 I553 I555 M610 N611 A614 L619 K624 V625I540-Y544 HydrophobicContact CG2-CD2 3.64Å; I540-Y544 HydrophobicContact CG2-CE2 3.33Å; I540-Y544 VanDerWaalsContact O-CD2 3.31Å; I540-Y544 WeakPolarHBondContact O-CD2 3.26Å; I540-Y544 PolarHBondContact O-N 3.33Å; E541-Y544 PolarHBondContact O-N 2.84Å; Y544-Y546 PolarHBondContact O-N 2.79Å; Y544-C547 WeakPolarHBondContact O-CB 3.47Å; Y544-C547 PolarHBondContact O-N 3.25Å; Y544-I550 WeakPolarHBondContact O-CD1 3.48Å; Y544-I553 HydrophobicContact CD2-CD1 3.95Å; Y544-I553 HydrophobicContact CG-CD1 4.07Å; Y544-I555 HydrophobicContact CD2-CD1 3.78Å; Y544-I555 HydrophobicContact CE2-CD1 4.03Å; Y544-M610 HydrophobicContact CD1-CB 3.79Å; Y544-M610 HydrophobicContact CD1-CE 3.79Å; Y544-M610 HydrophobicContact CD1-CG 4.22Å; Y544-M610 HydrophobicContact CD2-CE 4.33Å; Y544-M610 HydrophobicContact CE1-CB 3.64Å; Y544-M610 HydrophobicContact CE1-CE 4.03Å; Y544-M610 HydrophobicContact CE1-CG 4.5Å; Y544-M610 VanDerWaalsContact CE1-O 3.3Å; Y544-M610 WeakPolarHBondContact CE1-O 3.22Å; Y544-M610 HydrophobicContact CG-CE 3.96Å; Y544-N611 PolarHBondContact OH-OD1 3.3Å; Y544-A614 HydrophobicContact CE1-CB 3.81Å; Y544-L619 HydrophobicContact CE2-CD1 4.43Å; Y544-K624 WeakPolarHBondContact OH-CA 3.42Å; Y544-V625 HydrophobicContact CE1-CG2 4.44Å; Y544-V625 HydrophobicContact CE2-CG1 3.85Å; Y544-V625 HydrophobicContact CE2-CG2 4.14Å; Y544-V625 PolarHBondContact OH-N 2.92Å
545Q88.2Confident89.5Confident99 Ų9934.7 Ų34.746%0.46316%0.164SC..THydrogen-bonded Turntrans-58.2-16.4170.8-70.9-68.9-47.800114E541 V543 C547E541-Q545 WeakPolarHBondContact O-CG 3.36Å; E541-Q545 PolarHBondContact O-N 3.3Å; V543-Q545 VanDerWaalsContact C-N 3.26Å; V543-Q545 PolarHBondContact O-N 2.79Å; Q545-C547 PolarHBondContact O-N 3.47Å
546Y86.7Confident90.3Very high58 Ų5835.1 Ų35.123%0.22717%0.166CC..THydrogen-bonded Turntrans-75.1-10.2170.1-71.3-79.1000113.6E408 V543 Y544 K617E408-Y546 HydrophobicContact CB-CE1 3.94Å; E408-Y546 WeakPolarHBondContact CB-OH 3.31Å; E408-Y546 PolarHBondContact N-OH 2.77Å; E408-Y546 WeakPolarHBondContact OE2-CE1 3.24Å; V543-Y546 WeakPolarHBondContact O-CB 3.29Å; V543-Y546 WeakPolarHBondContact O-CD2 3.13Å; V543-Y546 PolarHBondContact O-N 2.75Å; Y544-Y546 PolarHBondContact O-N 2.79Å; Y546-K617 VanDerWaalsContact CD1-NZ 3.3Å; Y546-K617 HydrophobicContact CD2-CD 4.27Å; Y546-K617 VanDerWaalsContact CE1-NZ 3.25Å; Y546-K617 HydrophobicContact CE2-CD 4.5Å
547C89.7Confident90.4Very high7 Ų735 Ų355%0.04717%0.166CC..SBendtrans-84.7109.4172.6-168.20000109.2Y544 Q545 L549 I550 V613Y544-C547 WeakPolarHBondContact O-CB 3.47Å; Y544-C547 PolarHBondContact O-N 3.25Å; Q545-C547 PolarHBondContact O-N 3.47Å; C547-L549 PolarHBondContact O-N 3.27Å; C547-I550 HydrophobicContact CB-CD1 3.89Å; C547-I550 HydrophobicContact CB-CG1 4.03Å; C547-I550 PolarHBondContact O-N 2.97Å; C547-V613 HydrophobicContact CB-CG2 4.02Å
548R90.4Very high90Very high171 Ų17137.7 Ų37.765%0.64518%0.181SC*.THydrogen-bonded Turntrans-57.9-17.6-178-64-177.9176.4-159.6-9.5114.9I550 E574R548-I550 PolarHBondContact O-N 3.15Å; R548-E574 HydrophobicContact CB-CG 4.47Å; R548-E574 WeakPolarHBondContact O-CB 3.21Å
549L93.4Very high89.4Confident7 Ų739.2 Ų39.24%0.03720%0.196CC..THydrogen-bonded Turntrans-75.7-8.9177.9-58.5-175.9000112.9C547 P570 D571 E574 L575 F605 V606 K609C547-L549 PolarHBondContact O-N 3.27Å; L549-P570 CarbonylContact O-C 3.49Å; L549-P570 VanDerWaalsContact O-CA 3.23Å; L549-P570 WeakPolarHBondContact O-CA 3.4Å; L549-D571 PolarHBondContact O-N 3.29Å; L549-E574 HydrophobicContact CD2-CB 4.3Å; L549-L575 HydrophobicContact CD2-CD1 4.47Å; L549-F605 HydrophobicContact CD1-CD1 4.29Å; L549-F605 HydrophobicContact CD1-CE1 3.72Å; L549-F605 HydrophobicContact CD1-CZ 4.41Å; L549-V606 HydrophobicContact CD1-CG2 4.31Å; L549-K609 HydrophobicContact CD1-CB 3.88Å; L549-K609 HydrophobicContact CD1-CG 3.89Å
550I94.1Very high89Confident12 Ų1241.8 Ų41.86%0.06221%0.21CC..EExtended strand (participates in β ladder)trans-105.4123.5-174.5-55.7-177.6000109.8Y544 C547 R548 Q552 I553 V568 M610Y544-I550 WeakPolarHBondContact O-CD1 3.48Å; C547-I550 HydrophobicContact CB-CD1 3.89Å; C547-I550 HydrophobicContact CB-CG1 4.03Å; C547-I550 PolarHBondContact O-N 2.97Å; R548-I550 PolarHBondContact O-N 3.15Å; I550-Q552 WeakPolarHBondContact CG2-O 3.38Å; I550-I553 HydrophobicContact CD1-CD1 4.31Å; I550-I553 HydrophobicContact CG2-CB 3.95Å; I550-I553 HydrophobicContact CG2-CG2 4.26Å; I550-V568 HydrophobicContact CG1-CG1 4.15Å; I550-V568 HydrophobicContact CG2-CG1 4.32Å; I550-M610 HydrophobicContact CD1-CE 3.87Å; I550-M610 HydrophobicContact CD1-CG 3.85Å; I550-M610 HydrophobicContact CD1-SD 3.97Å; I550-M610 HydrophobicContact CG1-CG 4.44Å
551S93.5Very high88.6Confident62 Ų6243.2 Ų43.243%0.43422%0.216SC..EExtended strand (participates in β ladder)trans-90.9-49.8167.1-178.20000110.7V569S551-V569 WeakPolarHBondContact CB-O 3.31Å; S551-V569 PolarHBondContact N-O 3.47Å
552Q95.6Very high88Confident41 Ų4146.7 Ų46.719%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-138.1151.5176.2-55172.9-61.500110.3I550 V569 F635I550-Q552 WeakPolarHBondContact CG2-O 3.38Å; Q552-V569 HydrophobicContact CB-CB 3.93Å; Q552-V569 HydrophobicContact CB-CG2 3.94Å; Q552-V569 PolarHBondContact N-O 2.85Å; Q552-V569 VanDerWaalsContact N-O 3.15Å; Q552-V569 PolarHBondContact O-N 3.4Å; Q552-F635 HydrophobicContact CB-CD2 3.77Å; Q552-F635 HydrophobicContact CB-CE2 3.94Å; Q552-F635 HydrophobicContact CB-CG 4.47Å; Q552-F635 PolarHBondContact NE2-O 2.86Å
553I95.7Very high88.1Confident10 Ų1044.7 Ų44.75%0.05123%0.225CC..EExtended strand (participates in β ladder)trans-144.7141.5179.7-175.8170.6000110E541 Y544 I550 I555 A566 V567 V568 M610E541-I553 HydrophobicContact CB-CG2 4Å; E541-I553 HydrophobicContact CG-CG2 3.98Å; Y544-I553 HydrophobicContact CD2-CD1 3.95Å; Y544-I553 HydrophobicContact CG-CD1 4.07Å; I550-I553 HydrophobicContact CD1-CD1 4.31Å; I550-I553 HydrophobicContact CG2-CB 3.95Å; I550-I553 HydrophobicContact CG2-CG2 4.26Å; I553-I555 HydrophobicContact CD1-CD1 4.16Å; I553-I555 HydrophobicContact CD1-CG1 3.95Å; I553-I555 HydrophobicContact CG1-CG1 4.07Å; I553-A566 HydrophobicContact CD1-CB 4.08Å; I553-A566 HydrophobicContact CG1-CB 4.09Å; I553-V567 CarbonylContact C-O 3.52Å; I553-V567 WeakPolarHBondContact CA-O 3.22Å; I553-V568 HydrophobicContact CD1-CG2 4.37Å; I553-V568 HydrophobicContact CG1-CG2 4.25Å; I553-M610 HydrophobicContact CD1-CE 3.67Å
554F96Very high88.5Confident2 Ų243.7 Ų43.71%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-127.3117.5168.7165.9-133.6000108.3D556 A566 V567 F635 L648 R650 A653 R654 F657 I661F554-D556 HydrophobicContact CE1-CB 4.25Å; F554-D556 HydrophobicContact CE2-CB 4.42Å; F554-D556 HydrophobicContact CZ-CB 3.92Å; F554-A566 CarbonylContact O-C 3.5Å; F554-A566 VanDerWaalsContact O-CA 3.26Å; F554-A566 WeakPolarHBondContact O-CA 3.33Å; F554-V567 HydrophobicContact CB-CB 4.43Å; F554-V567 HydrophobicContact CD1-CB 4.43Å; F554-V567 HydrophobicContact CD1-CG2 4.4Å; F554-V567 PolarHBondContact N-O 2.83Å; F554-V567 PolarHBondContact O-N 2.9Å; F554-F635 HydrophobicContact CB-CE2 3.94Å; F554-F635 HydrophobicContact CB-CZ 3.97Å; F554-L648 HydrophobicContact CB-CD2 3.88Å; F554-L648 HydrophobicContact CD2-CD2 3.57Å; F554-L648 HydrophobicContact CE2-CD2 4.49Å; F554-L648 HydrophobicContact CG-CD2 4.03Å; F554-R650 HydrophobicContact CE2-CG 4.27Å; F554-A653 HydrophobicContact CD1-CB 3.79Å; F554-A653 HydrophobicContact CD2-CB 4.38Å; F554-A653 HydrophobicContact CE1-CB 3.8Å; F554-A653 HydrophobicContact CE2-CB 4.4Å; F554-A653 HydrophobicContact CG-CB 4.09Å; F554-A653 HydrophobicContact CZ-CB 4.13Å; F554-R654 HydrophobicContact CE1-CB 4.44Å; F554-R654 HydrophobicContact CZ-CB 3.96Å; F554-F657 HydrophobicContact CD1-CD2 4.2Å; F554-I661 HydrophobicContact CE1-CD1 3.83Å
555I95.6Very high88.7Confident1 Ų143.7 Ų43.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-96.8131.7176.5-64180000109.6F527 P537 I540 E541 Y544 I553 P564 V565 A566 V625F527-I555 HydrophobicContact CE1-CG2 4.5Å; F527-I555 HydrophobicContact CZ-CG2 4.17Å; P537-I555 HydrophobicContact CB-CB 4.1Å; P537-I555 HydrophobicContact CB-CG2 4.18Å; I540-I555 HydrophobicContact CB-CD1 3.67Å; I540-I555 HydrophobicContact CG2-CD1 3.28Å; E541-I555 HydrophobicContact CB-CD1 4.38Å; E541-I555 HydrophobicContact CG-CB 4.02Å; E541-I555 HydrophobicContact CG-CD1 3.57Å; E541-I555 HydrophobicContact CG-CG1 3.57Å; E541-I555 PolarHBondContact OE1-N 3.25Å; Y544-I555 HydrophobicContact CD2-CD1 3.78Å; Y544-I555 HydrophobicContact CE2-CD1 4.03Å; I553-I555 HydrophobicContact CD1-CD1 4.16Å; I553-I555 HydrophobicContact CD1-CG1 3.95Å; I553-I555 HydrophobicContact CG1-CG1 4.07Å; I555-P564 HydrophobicContact CG2-CB 3.91Å; I555-V565 WeakPolarHBondContact CA-O 3.44Å; I555-A566 HydrophobicContact CG1-CB 4.15Å; I555-V625 HydrophobicContact CD1-CG1 4.3Å; I555-V625 HydrophobicContact CG1-CG1 4.37Å
556D93.9Very high89.2Confident10 Ų1039 Ų395%0.05320%0.197CC..EExtended strand (participates in β ladder)trans-126.9163.1175.9-157.548.7000112.1F554 P564 V565 R654 I661F554-D556 HydrophobicContact CE1-CB 4.25Å; F554-D556 HydrophobicContact CE2-CB 4.42Å; F554-D556 HydrophobicContact CZ-CB 3.92Å; D556-P564 WeakPolarHBondContact O-CA 3.34Å; D556-V565 PolarHBondContact N-O 3.39Å; D556-V565 PolarHBondContact O-N 2.87Å; D556-R654 IonicContact OD1-CZ 3.77Å; D556-R654 IonicContact OD1-NE 3.56Å; D556-R654 PolarHBondContact OD1-NE 2.87Å; D556-R654 IonicContact OD1-NH2 2.74Å; D556-R654 PolarHBondContact OD1-NH2 2.92Å; D556-R654 IonicContact OD2-NE 2.6Å; D556-I661 HydrophobicContact CB-CD1 3.91Å; D556-I661 HydrophobicContact CB-CG1 4.41Å; D556-I661 HydrophobicContact CB-CG2 4.44Å
557G86.5Confident89.7Confident10 Ų1036.3 Ų36.310%0.10319%0.187CC..  trans-151.3154.5-175.600000113.5F527 Y665F527-G557 VanDerWaalsContact CD2-CA 3.49Å; G557-Y665 VanDerWaalsContact CA-OH 3.28Å; G557-Y665 WeakPolarHBondContact CA-OH 3.31Å
558N79.8Confident90.1Very high57 Ų5736 Ų3631%0.30518%0.184SC..  trans-132.4135.6178.1-176.7-33.3000109.6Q560 K561 Y665N558-Q560 PolarHBondContact O-N 3.14Å; N558-Q560 WeakPolarHBondContact OD1-CB 3.38Å; N558-Q560 PolarHBondContact OD1-N 2.84Å; N558-K561 HydrophobicContact CB-CB 4.3Å; N558-K561 HydrophobicContact CB-CG 3.89Å; N558-K561 PolarHBondContact O-N 2.94Å; N558-Y665 HydrophobicContact CB-CE2 3.94Å; N558-Y665 PolarHBondContact N-OH 2.89Å
559S73.1Confident90.5Very high80 Ų8028.1 Ų28.156%0.55916%0.156SC*.THydrogen-bonded Turntrans-63.9-16.317954.10000114.9K528 A530K528-S559 WeakPolarHBondContact O-CA 3.31Å; K528-S559 PolarHBondContact O-N 2.67Å; A530-S559 WeakPolarHBondContact CA-O 3.42Å; A530-S559 PolarHBondContact N-O 3.32Å
560Q74.3Confident90.6Very high150 Ų15028 Ų2870%0.70116%0.155SC*.THydrogen-bonded Turntrans-89.6-2.3173.7-61.1-179.4-10.900113.2N558N558-Q560 PolarHBondContact O-N 3.14Å; N558-Q560 WeakPolarHBondContact OD1-CB 3.38Å; N558-Q560 PolarHBondContact OD1-N 2.84Å
561K79.4Confident90.7Very high31 Ų3130 Ų3014%0.13517%0.166CC..  trans-120146.2-173.9-55.5-69.5175-177.20109.7L529 A530 N558 Y665 E669L529-K561 CarbonylContact C-O 3.59Å; L529-K561 WeakPolarHBondContact CA-O 3.37Å; L529-K561 WeakPolarHBondContact CB-O 3.44Å; L529-K561 WeakPolarHBondContact CD2-O 3.5Å; A530-K561 PolarHBondContact N-O 3.49Å; N558-K561 HydrophobicContact CB-CB 4.3Å; N558-K561 HydrophobicContact CB-CG 3.89Å; N558-K561 PolarHBondContact O-N 2.94Å; K561-Y665 HydrophobicContact CB-CD1 3.79Å; K561-Y665 HydrophobicContact CB-CE1 3.4Å; K561-Y665 VanDerWaalsContact CB-CE1 3.4Å; K561-Y665 HydrophobicContact CD-CD1 3.65Å; K561-Y665 HydrophobicContact CD-CE1 4.21Å; K561-Y665 HydrophobicContact CD-CG 4.06Å; K561-Y665 HydrophobicContact CG-CD1 3.39Å; K561-Y665 HydrophobicContact CG-CD2 4.35Å; K561-Y665 HydrophobicContact CG-CE1 3.47Å; K561-Y665 VanDerWaalsContact CG-CE1 3.47Å; K561-Y665 HydrophobicContact CG-CE2 4.4Å; K561-Y665 HydrophobicContact CG-CG 3.86Å; K561-E669 WeakPolarHBondContact CD-OE1 3.29Å; K561-E669 IonicContact NZ-OE1 3.47Å; K561-E669 PolarHBondContact NZ-OE1 3.39Å; K561-E669 IonicContact NZ-OE2 2.74Å; K561-E669 PolarHBondContact NZ-OE2 2.87Å
562N79.4Confident90.7Very high94 Ų9428.6 Ų28.650%0.50315%0.152SC..SBendtrans-93.87.5-175.162.4-21.8000114.6Q531Q531-N562 PolarHBondContact NE2-O 3.42Å; Q531-N562 PolarHBondContact OE1-O 2.95Å
563Y87Confident90.6Very high15 Ų1532 Ų326%0.05918%0.176CC..SBendtrans-149155.8179.353.7-98.5000112.2V565 Q626 Y665 H668Y563-V565 HydrophobicContact CD2-CG1 4.18Å; Y563-V565 HydrophobicContact CE2-CG1 4.02Å; Y563-Q626 HydrophobicContact CD1-CB 4.26Å; Y563-Q626 HydrophobicContact CD1-CG 3.96Å; Y563-Q626 HydrophobicContact CD2-CB 3.5Å; Y563-Q626 HydrophobicContact CD2-CG 3.84Å; Y563-Q626 HydrophobicContact CE2-CB 3.97Å; Y563-Q626 HydrophobicContact CG-CB 3.68Å; Y563-Q626 HydrophobicContact CG-CG 3.45Å; Y563-Q626 VanDerWaalsContact CG-CG 3.45Å; Y563-Y665 HydrophobicContact CD2-CD1 4.39Å; Y563-Y665 AromaticContact CD2-CE1 3.92Å; Y563-Y665 HydrophobicContact CD2-CE1 3.92Å; Y563-Y665 AromaticContact CE2-CD1 3.6Å; Y563-Y665 HydrophobicContact CE2-CD1 3.6Å; Y563-Y665 AromaticContact CE2-CE1 3.59Å; Y563-Y665 HydrophobicContact CE2-CE1 3.59Å; Y563-Y665 WeakPolarHBondContact O-CE1 3.47Å; Y563-Y665 PolarHBondContact O-OH 3.03Å; Y563-H668 AromaticContact CE1-CD2 3.64Å; Y563-H668 HydrophobicContact CE2-CB 4.5Å; Y563-H668 AromaticContact CE2-CD2 3.99Å; Y563-H668 AromaticContact CZ-CD2 3.31Å; Y563-H668 AromaticContact CZ-CG 3.91Å; Y563-H668 PolarHBondContact OH-CD2 2.79Å
564P94Very high90.4Very high0 Ų034.7 Ų34.70%019%0.188CC..  trans-81.8160.7170.332.7-34.5000112.4F527 I555 D556 F622 K624 V625 Q626F527-P564 HydrophobicContact CE2-CB 4.22Å; F527-P564 HydrophobicContact CZ-CB 4Å; I555-P564 HydrophobicContact CG2-CB 3.91Å; D556-P564 WeakPolarHBondContact O-CA 3.34Å; P564-F622 WeakPolarHBondContact CD-O 3.19Å; P564-K624 WeakPolarHBondContact CD-O 3.29Å; P564-V625 HydrophobicContact CB-CG1 4.38Å; P564-V625 HydrophobicContact CG-CG1 4.19Å; P564-V625 WeakPolarHBondContact O-CA 3.43Å; P564-Q626 PolarHBondContact O-N 3.31Å; P564-Q626 VanDerWaalsContact O-N 3.16Å
565V97Very high90.3Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-124.6164.4171.3-620000109.8I555 D556 Y563 A627 I661 L664 Y665I555-V565 WeakPolarHBondContact CA-O 3.44Å; D556-V565 PolarHBondContact N-O 3.39Å; D556-V565 PolarHBondContact O-N 2.87Å; Y563-V565 HydrophobicContact CD2-CG1 4.18Å; Y563-V565 HydrophobicContact CE2-CG1 4.02Å; V565-A627 WeakPolarHBondContact CA-O 3.16Å; V565-A627 HydrophobicContact CG1-CB 4.05Å; V565-I661 HydrophobicContact CG2-CG2 4.03Å; V565-L664 HydrophobicContact CB-CB 4.27Å; V565-L664 HydrophobicContact CB-CD1 3.97Å; V565-L664 HydrophobicContact CG1-CB 4.13Å; V565-L664 HydrophobicContact CG2-CB 4.48Å; V565-L664 HydrophobicContact CG2-CD1 4.16Å; V565-Y665 HydrophobicContact CG1-CD1 3.98Å; V565-Y665 HydrophobicContact CG1-CE1 3.6Å; V565-Y665 HydrophobicContact CG1-CE2 4.26Å; V565-Y665 HydrophobicContact CG1-CG 4.45Å; V565-Y665 HydrophobicContact CG2-CD2 4.43Å; V565-Y665 HydrophobicContact CG2-CE1 4.5Å; V565-Y665 HydrophobicContact CG2-CE2 3.76Å
566A97.9Very high90.2Very high2 Ų237.4 Ų37.42%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-137.3146.4178.700000114.4I553 F554 I555 V568 V625 A627 I628 Y629I553-A566 HydrophobicContact CD1-CB 4.08Å; I553-A566 HydrophobicContact CG1-CB 4.09Å; F554-A566 CarbonylContact O-C 3.5Å; F554-A566 VanDerWaalsContact O-CA 3.26Å; F554-A566 WeakPolarHBondContact O-CA 3.33Å; I555-A566 HydrophobicContact CG1-CB 4.15Å; A566-V568 HydrophobicContact CB-CG2 4.12Å; A566-V625 HydrophobicContact CB-CB 4.47Å; A566-V625 HydrophobicContact CB-CG1 3.98Å; A566-A627 PolarHBondContact N-O 2.97Å; A566-A627 VanDerWaalsContact N-O 3.1Å; A566-I628 HydrophobicContact CB-CG2 4.16Å; A566-I628 CarbonylContact O-C 3.3Å; A566-I628 WeakPolarHBondContact O-CA 3.4Å; A566-Y629 PolarHBondContact O-N 3.35Å
567V98.2Very high89.9Confident1 Ų139.6 Ų39.61%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-96.4127.9160.2176.80000107.8I553 F554 Y629 T631 F635 F657I553-V567 CarbonylContact C-O 3.52Å; I553-V567 WeakPolarHBondContact CA-O 3.22Å; F554-V567 HydrophobicContact CB-CB 4.43Å; F554-V567 HydrophobicContact CD1-CB 4.43Å; F554-V567 HydrophobicContact CD1-CG2 4.4Å; F554-V567 PolarHBondContact N-O 2.83Å; F554-V567 PolarHBondContact O-N 2.9Å; V567-Y629 WeakPolarHBondContact CA-O 3.5Å; V567-Y629 HydrophobicContact CG1-CD1 4.07Å; V567-Y629 HydrophobicContact CG2-CD1 4.42Å; V567-T631 HydrophobicContact CG1-CG2 3.91Å; V567-F635 HydrophobicContact CG1-CE1 4.24Å; V567-F635 HydrophobicContact CG1-CZ 4.04Å; V567-F657 HydrophobicContact CB-CD2 4.46Å; V567-F657 HydrophobicContact CG1-CD1 4.2Å; V567-F657 HydrophobicContact CG1-CD2 4.24Å; V567-F657 HydrophobicContact CG1-CE1 3.96Å; V567-F657 HydrophobicContact CG1-CE2 4Å; V567-F657 HydrophobicContact CG1-CG 4.35Å; V567-F657 HydrophobicContact CG1-CZ 3.87Å; V567-F657 HydrophobicContact CG2-CB 4Å; V567-F657 HydrophobicContact CG2-CD1 4.15Å; V567-F657 HydrophobicContact CG2-CD2 4.12Å; V567-F657 HydrophobicContact CG2-CG 3.83Å
568V98.2Very high90.1Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-126.4126-172.5179.80000109.3I550 I553 A566 P570 M610 I628 Y629 L630 T631I550-V568 HydrophobicContact CG1-CG1 4.15Å; I550-V568 HydrophobicContact CG2-CG1 4.32Å; I553-V568 HydrophobicContact CD1-CG2 4.37Å; I553-V568 HydrophobicContact CG1-CG2 4.25Å; A566-V568 HydrophobicContact CB-CG2 4.12Å; V568-P570 WeakPolarHBondContact O-CD 3.4Å; V568-M610 HydrophobicContact CG2-CE 4.01Å; V568-M610 HydrophobicContact CG2-SD 3.99Å; V568-I628 HydrophobicContact CG2-CB 4.3Å; V568-I628 HydrophobicContact CG2-CG2 4.31Å; V568-Y629 PolarHBondContact N-O 3.04Å; V568-L630 HydrophobicContact CB-CD2 3.91Å; V568-L630 HydrophobicContact CG1-CD2 4.14Å; V568-L630 WeakPolarHBondContact O-CA 3.31Å; V568-T631 PolarHBondContact O-N 3.42Å
569V97.6Very high90.7Very high6 Ų638.1 Ų38.14%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-93.9110.2165.1-173.20000107.1S551 Q552 T631 E633 F635S551-V569 WeakPolarHBondContact CB-O 3.31Å; S551-V569 PolarHBondContact N-O 3.47Å; Q552-V569 HydrophobicContact CB-CB 3.93Å; Q552-V569 HydrophobicContact CB-CG2 3.94Å; Q552-V569 PolarHBondContact N-O 2.85Å; Q552-V569 VanDerWaalsContact N-O 3.15Å; Q552-V569 PolarHBondContact O-N 3.4Å; V569-T631 WeakPolarHBondContact CA-O 3.34Å; V569-T631 HydrophobicContact CG2-CG2 3.91Å; V569-E633 WeakPolarHBondContact CG2-O 3.46Å; V569-F635 HydrophobicContact CG2-CD1 4.22Å; V569-F635 HydrophobicContact CG2-CE1 3.91Å; V569-F635 HydrophobicContact CG2-CZ 4.09Å
570P97Very high91.3Very high3 Ų336.4 Ų36.42%0.01919%0.194CC..EExtended strand (participates in β ladder)trans-67152.6-179.3-19.933.3000112.4L549 V568 F572 L575 L630 T631L549-P570 CarbonylContact O-C 3.49Å; L549-P570 VanDerWaalsContact O-CA 3.23Å; L549-P570 WeakPolarHBondContact O-CA 3.4Å; V568-P570 WeakPolarHBondContact O-CD 3.4Å; P570-F572 HydrophobicContact CB-CD1 4.44Å; P570-F572 HydrophobicContact CB-CE1 4.25Å; P570-F572 HydrophobicContact CB-CZ 4.37Å; P570-F572 HydrophobicContact CG-CE1 4.15Å; P570-F572 HydrophobicContact CG-CZ 4.13Å; P570-F572 PolarHBondContact O-N 2.89Å; P570-L575 HydrophobicContact CB-CD2 3.91Å; P570-L575 HydrophobicContact CG-CD2 4.3Å; P570-L630 HydrophobicContact CG-CB 4.44Å; P570-L630 HydrophobicContact CG-CD2 4.29Å; P570-T631 WeakPolarHBondContact CD-O 3.48Å
571D95.5Very high91.7Very high55 Ų5535.5 Ų35.529%0.29420%0.195SC..  trans-76.5100.8153.7-173.7-50.6000107.8L549 T573 E574 L575L549-D571 PolarHBondContact O-N 3.29Å; D571-T573 PolarHBondContact O-N 3.47Å; D571-T573 WeakPolarHBondContact OD1-CA 3.49Å; D571-T573 VanDerWaalsContact OD1-CB 3.31Å; D571-T573 WeakPolarHBondContact OD1-CB 3.37Å; D571-T573 PolarHBondContact OD1-N 2.72Å; D571-E574 HydrophobicContact CB-CB 4.11Å; D571-E574 HydrophobicContact CB-CG 4.39Å; D571-E574 PolarHBondContact O-N 2.96Å; D571-E574 PolarHBondContact OD1-N 2.95Å; D571-L575 WeakPolarHBondContact O-CB 3.24Å; D571-L575 PolarHBondContact O-N 3.24Å
572F94Very high91.8Very high33 Ų3336 Ų3615%0.14521%0.209CC..Hα-helixtrans-63.8-24.2-175.8-69.7-74.2000113.4P570 L575 R576 D593 D632P570-F572 HydrophobicContact CB-CD1 4.44Å; P570-F572 HydrophobicContact CB-CE1 4.25Å; P570-F572 HydrophobicContact CB-CZ 4.37Å; P570-F572 HydrophobicContact CG-CE1 4.15Å; P570-F572 HydrophobicContact CG-CZ 4.13Å; P570-F572 PolarHBondContact O-N 2.89Å; F572-L575 HydrophobicContact CD1-CD2 4.39Å; F572-R576 WeakPolarHBondContact O-CB 3.14Å; F572-R576 WeakPolarHBondContact O-CG 3.45Å; F572-R576 PolarHBondContact O-N 2.57Å; F572-R576 VanDerWaalsContact O-N 3.11Å; F572-D593 HydrophobicContact CD1-CB 3.69Å; F572-D593 VanDerWaalsContact CD1-CG 3.45Å; F572-D593 WeakPolarHBondContact CD1-OD1 3.12Å; F572-D593 HydrophobicContact CD2-CB 4.32Å; F572-D593 HydrophobicContact CE1-CB 3.51Å; F572-D593 HydrophobicContact CE2-CB 4.16Å; F572-D593 HydrophobicContact CG-CB 4.11Å; F572-D593 HydrophobicContact CZ-CB 3.77Å; F572-D632 HydrophobicContact CE2-CB 4.21Å; F572-D632 HydrophobicContact CZ-CB 3.82Å
573T91.8Very high91.9Very high112 Ų11240.9 Ų40.969%0.68723%0.226SC*.Hα-helixtrans-71.9-52.3176.6-54.90000110D571 L575 S577D571-T573 PolarHBondContact O-N 3.47Å; D571-T573 WeakPolarHBondContact OD1-CA 3.49Å; D571-T573 VanDerWaalsContact OD1-CB 3.31Å; D571-T573 WeakPolarHBondContact OD1-CB 3.37Å; D571-T573 PolarHBondContact OD1-N 2.72Å; T573-L575 VanDerWaalsContact C-N 3.34Å; T573-L575 PolarHBondContact O-N 2.96Å; T573-S577 WeakPolarHBondContact O-CB 3.36Å; T573-S577 PolarHBondContact O-N 2.94Å; T573-S577 VanDerWaalsContact O-N 3.14Å
574E92.1Very high91.7Very high66 Ų6643 Ų4331%0.30824%0.237SC..Hα-helixtrans-66-35.8177.9-71.4-67.5146.300112.1R548 L549 D571 S578R548-E574 HydrophobicContact CB-CG 4.47Å; R548-E574 WeakPolarHBondContact O-CB 3.21Å; L549-E574 HydrophobicContact CD2-CB 4.3Å; D571-E574 HydrophobicContact CB-CB 4.11Å; D571-E574 HydrophobicContact CB-CG 4.39Å; D571-E574 PolarHBondContact O-N 2.96Å; D571-E574 PolarHBondContact OD1-N 2.95Å; E574-S578 WeakPolarHBondContact O-CB 3.46Å; E574-S578 PolarHBondContact O-N 3.16Å; E574-S578 PolarHBondContact O-OG 3.42Å
575L93.9Very high91.2Very high0 Ų044.3 Ų44.30%024%0.244CC..Hα-helixtrans-62.6-53.1176.2-178.560.8000111.5L549 P570 D571 F572 T573 S577 S578 L579 V602 F605 V606L549-L575 HydrophobicContact CD2-CD1 4.47Å; P570-L575 HydrophobicContact CB-CD2 3.91Å; P570-L575 HydrophobicContact CG-CD2 4.3Å; D571-L575 WeakPolarHBondContact O-CB 3.24Å; D571-L575 PolarHBondContact O-N 3.24Å; F572-L575 HydrophobicContact CD1-CD2 4.39Å; T573-L575 VanDerWaalsContact C-N 3.34Å; T573-L575 PolarHBondContact O-N 2.96Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 2.65Å; L575-S578 PolarHBondContact O-N 3.45Å; L575-S578 VanDerWaalsContact O-N 3.15Å; L575-L579 HydrophobicContact CD1-CD1 4.2Å; L575-L579 HydrophobicContact CD1-CG 4.15Å; L575-L579 HydrophobicContact CG-CD1 4.04Å; L575-L579 HydrophobicContact CG-CG 4.4Å; L575-L579 VanDerWaalsContact O-CG 3.3Å; L575-L579 WeakPolarHBondContact O-CG 3.36Å; L575-L579 PolarHBondContact O-N 3.43Å; L575-V602 HydrophobicContact CD1-CG1 4.13Å; L575-V602 HydrophobicContact CD2-CG1 4.04Å; L575-F605 HydrophobicContact CD1-CD1 4.4Å; L575-F605 HydrophobicContact CD1-CE1 4.42Å; L575-V606 HydrophobicContact CD1-CG2 3.78Å
576R93Very high90.4Very high61 Ų6152.5 Ų52.523%0.2328%0.282CS..Hα-helixtrans-61.9-39.4-179.8-72.4174.9-178-81.43.5111.9F572 S580 H588 L591 D593 L596F572-R576 WeakPolarHBondContact O-CB 3.14Å; F572-R576 WeakPolarHBondContact O-CG 3.45Å; F572-R576 PolarHBondContact O-N 2.57Å; F572-R576 VanDerWaalsContact O-N 3.11Å; R576-S580 PolarHBondContact O-N 2.99Å; R576-S580 VanDerWaalsContact O-N 3.09Å; R576-S580 PolarHBondContact O-OG 3.05Å; R576-H588 PolarHBondContact NH1-O 2.75Å; R576-L591 PolarHBondContact NH1-O 3.44Å; R576-L591 PolarHBondContact NH2-O 3.46Å; R576-D593 IonicContact CZ-OD1 2.83Å; R576-D593 IonicContact NE-OD1 3.8Å; R576-D593 PolarHBondContact NE-OD1 2.92Å; R576-D593 IonicContact NH2-OD1 3.8Å; R576-D593 PolarHBondContact NH2-OD1 2.84Å; R576-L596 HydrophobicContact CG-CD1 4.04Å; R576-L596 VanDerWaalsContact CZ-CD1 3.42Å
577S89.2Confident89.5Confident56 Ų5657.7 Ų57.739%0.39231%0.31SS..Hα-helixtrans-59.2-47.1173.4-177.90000111.9T573 L575 S580 N581T573-S577 WeakPolarHBondContact O-CB 3.36Å; T573-S577 PolarHBondContact O-N 2.94Å; T573-S577 VanDerWaalsContact O-N 3.14Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 2.65Å; S577-S580 WeakPolarHBondContact O-CB 3.29Å; S577-S580 PolarHBondContact O-N 3.37Å; S577-N581 PolarHBondContact O-N 3.07Å; S577-N581 VanDerWaalsContact O-N 3.07Å; S577-N581 PolarHBondContact O-ND2 3.04Å
578S89.9Confident88.6Confident35 Ų3558.5 Ų58.525%0.24531%0.314CS..Hα-helixtrans-67.7-39.3-179.7-64.10000113.2E574 L575 N581 G582E574-S578 WeakPolarHBondContact O-CB 3.46Å; E574-S578 PolarHBondContact O-N 3.16Å; E574-S578 PolarHBondContact O-OG 3.42Å; L575-S578 PolarHBondContact O-N 3.45Å; L575-S578 VanDerWaalsContact O-N 3.15Å; S578-N581 PolarHBondContact O-N 3.06Å; S578-G582 PolarHBondContact O-N 3.41Å
579L91.3Very high87.7Confident0 Ų066.5 Ų66.50%035%0.348CS..Hα-helixtrans-64.8-39176.4-68175.8000112.1L575 K583 I584 H588 L596 V602 F605L575-L579 HydrophobicContact CD1-CD1 4.2Å; L575-L579 HydrophobicContact CD1-CG 4.15Å; L575-L579 HydrophobicContact CG-CD1 4.04Å; L575-L579 HydrophobicContact CG-CG 4.4Å; L575-L579 VanDerWaalsContact O-CG 3.3Å; L575-L579 WeakPolarHBondContact O-CG 3.36Å; L575-L579 PolarHBondContact O-N 3.43Å; L579-K583 PolarHBondContact O-N 3.17Å; L579-I584 HydrophobicContact CD2-CB 3.79Å; L579-I584 HydrophobicContact CD2-CG1 4.43Å; L579-I584 HydrophobicContact CD2-CG2 3.79Å; L579-I584 PolarHBondContact O-N 2.98Å; L579-H588 HydrophobicContact CD1-CB 4.38Å; L579-L596 HydrophobicContact CD1-CD2 4.06Å; L579-V602 HydrophobicContact CD1-CG1 4.49Å; L579-V602 HydrophobicContact CD1-CG2 4.02Å; L579-V602 HydrophobicContact CD2-CG2 4.25Å; L579-F605 HydrophobicContact CD2-CD1 3.92Å; L579-F605 HydrophobicContact CD2-CE1 4.23Å; L579-F605 HydrophobicContact CD2-CG 4.43Å
580S87Confident87.1Confident44 Ų4474.6 Ų74.631%0.30838%0.383SS..Hα-helixtrans-61.5-53.6172.9-83.40000112R576 S577 G582 K583 H588R576-S580 PolarHBondContact O-N 2.99Å; R576-S580 VanDerWaalsContact O-N 3.09Å; R576-S580 PolarHBondContact O-OG 3.05Å; S577-S580 WeakPolarHBondContact O-CB 3.29Å; S577-S580 PolarHBondContact O-N 3.37Å; S580-G582 VanDerWaalsContact C-N 3.34Å; S580-G582 PolarHBondContact O-N 3.49Å; S580-K583 PolarHBondContact O-N 2.75Å; S580-H588 PolarHBondContact OG-CE1 3.34Å; S580-H588 PolarHBondContact OG-NE2 3.43Å
581N83.3Confident86.7Confident132 Ų13276.6 Ų76.671%0.70639%0.393SS*.Hα-helixtrans-66.9-34.7-174-70.7-26.3000112.8S577 S578S577-N581 PolarHBondContact O-N 3.07Å; S577-N581 VanDerWaalsContact O-N 3.07Å; S577-N581 PolarHBondContact O-ND2 3.04Å; S578-N581 PolarHBondContact O-N 3.06Å
582G81Confident86.6Confident42 Ų4276.6 Ų76.643%0.43340%0.397SS..THydrogen-bonded Turntrans-85.7-4.3179.100000115.2S578 S580 I584S578-G582 PolarHBondContact O-N 3.41Å; S580-G582 VanDerWaalsContact C-N 3.34Å; S580-G582 PolarHBondContact O-N 3.49Å; G582-I584 PolarHBondContact O-N 2.83Å
583K81.9Confident86.7Confident196 Ų19677.8 Ų77.885%0.85241%0.405SS*.THydrogen-bonded Turntrans50.134.6-169.7-59.9-177.6179.7179.10113.1L579 S580L579-K583 PolarHBondContact O-N 3.17Å; S580-K583 PolarHBondContact O-N 2.75Å
584I81.7Confident86.8Confident59 Ų5973.6 Ų73.630%0.30338%0.381SS..  trans-72.7-37.1-171.4-56.8-61.2000111.8L579 G582 T601 F605L579-I584 HydrophobicContact CD2-CB 3.79Å; L579-I584 HydrophobicContact CD2-CG1 4.43Å; L579-I584 HydrophobicContact CD2-CG2 3.79Å; L579-I584 PolarHBondContact O-N 2.98Å; G582-I584 PolarHBondContact O-N 2.83Å; I584-T601 HydrophobicContact CG2-CG2 3.93Å; I584-F605 HydrophobicContact CD1-CD2 3.94Å; I584-F605 HydrophobicContact CD1-CE2 4.05Å; I584-F605 HydrophobicContact CG1-CD2 3.85Å; I584-F605 HydrophobicContact CG1-CE2 3.84Å; I584-F605 HydrophobicContact CG1-CG 4.44Å; I584-F605 HydrophobicContact CG1-CZ 4.45Å; I584-F605 HydrophobicContact CG2-CB 4.03Å; I584-F605 HydrophobicContact CG2-CD2 4.15Å; I584-F605 HydrophobicContact CG2-CG 4.09Å
585L84.7Confident86.9Confident28 Ų2874.8 Ų74.815%0.14739%0.386CS..SBendtrans-138.8123.5-178.5-172.469.5000111H588 L591 L596 V602L585-H588 HydrophobicContact CB-CB 4.24Å; L585-H588 HydrophobicContact CD2-CB 4Å; L585-H588 HydrophobicContact CG-CB 4.28Å; L585-H588 PolarHBondContact O-ND1 3.06Å; L585-L591 HydrophobicContact CD2-CD1 3.68Å; L585-L596 HydrophobicContact CD2-CD2 4.12Å; L585-V602 HydrophobicContact CD2-CG2 3.78Å
586Q78.6Confident87Confident172 Ų17274.8 Ų74.880%0.80439%0.386SS*.THydrogen-bonded Turntrans-70.2148.1172.3-62.7-172.912.100110.3H588Q586-H588 PolarHBondContact O-N 2.74Å
587N79Confident87.1Confident111 Ų11172.3 Ų72.359%0.59438%0.378SS*.THydrogen-bonded Turntrans57.813.9179.2-61.9-37.1000116.5K589 K590N587-K589 PolarHBondContact O-N 3.38Å; N587-K590 WeakPolarHBondContact O-CB 3.47Å; N587-K590 PolarHBondContact O-N 3.2Å
588H79.2Confident87.4Confident18 Ų1878.6 Ų78.68%0.08339%0.393CS..G310 helixtrans-54.1-26.8179.666.5-88000114.1R576 L579 S580 L585 Q586 K590 L591 L596R576-H588 PolarHBondContact NH1-O 2.75Å; L579-H588 HydrophobicContact CD1-CB 4.38Å; S580-H588 PolarHBondContact OG-CE1 3.34Å; S580-H588 PolarHBondContact OG-NE2 3.43Å; L585-H588 HydrophobicContact CB-CB 4.24Å; L585-H588 HydrophobicContact CD2-CB 4Å; L585-H588 HydrophobicContact CG-CB 4.28Å; L585-H588 PolarHBondContact O-ND1 3.06Å; Q586-H588 PolarHBondContact O-N 2.74Å; H588-K590 PolarHBondContact O-N 2.97Å; H588-L591 PolarHBondContact O-N 2.61Å; H588-L596 HydrophobicContact CB-CD2 4.29Å
589K80.2Confident87.6Confident167 Ų16778.8 Ų78.873%0.72639%0.392SS*.G310 helixtrans-66.3-21.6175.7-65-171.2178.1-1780113.9N587N587-K589 PolarHBondContact O-N 3.38Å
590K84.9Confident87.7Confident177 Ų17786.8 Ų86.877%0.7743%0.429SS*.G310 helixtrans-90.5-15178.5-64.3-176.1177.4-1790113N587 H588N587-K590 WeakPolarHBondContact O-CB 3.47Å; N587-K590 PolarHBondContact O-N 3.2Å; H588-K590 PolarHBondContact O-N 2.97Å
591L89Confident88.1Confident45 Ų4588.1 Ų88.124%0.23644%0.435CS..SBendtrans-82.2136.6179.5-60.4178.2000110.1R576 L585 H588 E595 L596R576-L591 PolarHBondContact NH1-O 3.44Å; R576-L591 PolarHBondContact NH2-O 3.46Å; L585-L591 HydrophobicContact CD2-CD1 3.68Å; H588-L591 PolarHBondContact O-N 2.61Å; L591-E595 HydrophobicContact CB-CB 4.05Å; L591-E595 HydrophobicContact CD2-CB 4.16Å; L591-L596 HydrophobicContact CB-CD2 4.05Å; L591-L596 HydrophobicContact CB-CG 4.11Å; L591-L596 HydrophobicContact CD1-CD2 3.89Å
592S93.3Very high88.7Confident54 Ų5481.8 Ų81.838%0.37840%0.402SS..  trans-63.7163.116563.10000111.6S594 E595 L596S592-S594 VanDerWaalsContact C-N 3.26Å; S592-S594 PolarHBondContact O-N 3.16Å; S592-E595 WeakPolarHBondContact CB-OE2 3.41Å; S592-E595 PolarHBondContact N-OE2 3.3Å; S592-E595 PolarHBondContact O-N 3.14Å; S592-E595 WeakPolarHBondContact OG-CB 3.45Å; S592-E595 VanDerWaalsContact OG-CD 3.31Å; S592-E595 VanDerWaalsContact OG-CG 3.23Å; S592-E595 WeakPolarHBondContact OG-CG 3.3Å; S592-E595 PolarHBondContact OG-N 3.2Å; S592-E595 PolarHBondContact OG-OE2 3.25Å; S592-L596 WeakPolarHBondContact O-CG 3.48Å; S592-L596 PolarHBondContact O-N 3.02Å
593D94.8Very high89.4Confident58 Ų5881.7 Ų81.731%0.3139%0.391SS..Hα-helixtrans-60.7-38177.8-70.5-15.1000111.7F572 R576 L596 C597 D632F572-D593 HydrophobicContact CD1-CB 3.69Å; F572-D593 VanDerWaalsContact CD1-CG 3.45Å; F572-D593 WeakPolarHBondContact CD1-OD1 3.12Å; F572-D593 HydrophobicContact CD2-CB 4.32Å; F572-D593 HydrophobicContact CE1-CB 3.51Å; F572-D593 HydrophobicContact CE2-CB 4.16Å; F572-D593 HydrophobicContact CG-CB 4.11Å; F572-D593 HydrophobicContact CZ-CB 3.77Å; R576-D593 IonicContact CZ-OD1 2.83Å; R576-D593 IonicContact NE-OD1 3.8Å; R576-D593 PolarHBondContact NE-OD1 2.92Å; R576-D593 IonicContact NH2-OD1 3.8Å; R576-D593 PolarHBondContact NH2-OD1 2.84Å; D593-L596 PolarHBondContact O-N 3.43Å; D593-C597 PolarHBondContact O-N 3.25Å; D593-C597 PolarHBondContact O-SG 3.19Å; D593-D632 HydrophobicContact CB-CB 4.26Å
594S95Very high90Very high25 Ų2578.8 Ų78.818%0.17538%0.379CS..Hα-helixtrans-61.4-44.1173.5-148.50000112.7S592 C597 R598 D632S592-S594 VanDerWaalsContact C-N 3.26Å; S592-S594 PolarHBondContact O-N 3.16Å; S594-C597 PolarHBondContact O-N 3.01Å; S594-R598 WeakPolarHBondContact O-CG 3.39Å; S594-R598 PolarHBondContact O-N 2.94Å; S594-R598 PolarHBondContact OG-NH2 2.74Å; S594-D632 VanDerWaalsContact CA-OD2 3.27Å; S594-D632 WeakPolarHBondContact CA-OD2 3.05Å; S594-D632 WeakPolarHBondContact CB-OD2 3.08Å; S594-D632 PolarHBondContact N-OD2 3.19Å; S594-D632 PolarHBondContact OG-OD2 3.35Å; S594-D632 VanDerWaalsContact OG-OD2 3.07Å
595E94.7Very high90.7Very high90 Ų9076.8 Ų76.842%0.42137%0.368SS..Hα-helixtrans-68-35.3177.5-73.3166.4127.500112.3L591 S592 C597 R598 N599L591-E595 HydrophobicContact CB-CB 4.05Å; L591-E595 HydrophobicContact CD2-CB 4.16Å; S592-E595 WeakPolarHBondContact CB-OE2 3.41Å; S592-E595 PolarHBondContact N-OE2 3.3Å; S592-E595 PolarHBondContact O-N 3.14Å; S592-E595 WeakPolarHBondContact OG-CB 3.45Å; S592-E595 VanDerWaalsContact OG-CD 3.31Å; S592-E595 VanDerWaalsContact OG-CG 3.23Å; S592-E595 WeakPolarHBondContact OG-CG 3.3Å; S592-E595 PolarHBondContact OG-N 3.2Å; S592-E595 PolarHBondContact OG-OE2 3.25Å; E595-C597 VanDerWaalsContact C-N 3.34Å; E595-R598 PolarHBondContact O-N 2.76Å; E595-N599 PolarHBondContact O-N 3.26Å
596L95Very high91.3Very high0 Ų075.4 Ų75.40%036%0.361CS..Hα-helixtrans-62.9-41.9172.4-72.8177.5000111.6R576 L579 L585 H588 L591 S592 D593 R598 N599 V602R576-L596 HydrophobicContact CG-CD1 4.04Å; R576-L596 VanDerWaalsContact CZ-CD1 3.42Å; L579-L596 HydrophobicContact CD1-CD2 4.06Å; L585-L596 HydrophobicContact CD2-CD2 4.12Å; H588-L596 HydrophobicContact CB-CD2 4.29Å; L591-L596 HydrophobicContact CB-CD2 4.05Å; L591-L596 HydrophobicContact CB-CG 4.11Å; L591-L596 HydrophobicContact CD1-CD2 3.89Å; S592-L596 WeakPolarHBondContact O-CG 3.48Å; S592-L596 PolarHBondContact O-N 3.02Å; D593-L596 PolarHBondContact O-N 3.43Å; L596-R598 VanDerWaalsContact C-N 3.27Å; L596-R598 PolarHBondContact O-N 3.09Å; L596-N599 WeakPolarHBondContact O-CB 3.31Å; L596-N599 PolarHBondContact O-N 2.93Å; L596-V602 HydrophobicContact CD2-CG2 4.25Å
597C96.3Very high92.2Very high10 Ų1068.6 Ų68.67%0.06833%0.33CS..Hα-helixtrans-64.6-30.8178.9-69.30000113.1D593 S594 E595 N599 L630 T631D593-C597 PolarHBondContact O-N 3.25Å; D593-C597 PolarHBondContact O-SG 3.19Å; S594-C597 PolarHBondContact O-N 3.01Å; E595-C597 VanDerWaalsContact C-N 3.34Å; C597-N599 VanDerWaalsContact C-N 3.35Å; C597-L630 HydrophobicContact CB-CB 3.83Å; C597-L630 WeakPolarHBondContact CB-O 3.34Å; C597-T631 VanDerWaalsContact SG-C 3.58Å
598R94.9Very high93.1Very high187 Ų18768.5 Ų68.571%0.70633%0.325SS*.THydrogen-bonded Turntrans-83-7177.1-65.6178.8-167.9123.39.8114S594 E595 L596S594-R598 WeakPolarHBondContact O-CG 3.39Å; S594-R598 PolarHBondContact O-N 2.94Å; S594-R598 PolarHBondContact OG-NH2 2.74Å; E595-R598 PolarHBondContact O-N 2.76Å; L596-R598 VanDerWaalsContact C-N 3.27Å; L596-R598 PolarHBondContact O-N 3.09Å
599N94.5Very high93.8Very high40 Ų4072.5 Ų72.521%0.21434%0.343CS..  trans-84120.7-175.6-173.8-78.1000111.7E595 L596 C597 T601 V602 N603E595-N599 PolarHBondContact O-N 3.26Å; L596-N599 WeakPolarHBondContact O-CB 3.31Å; L596-N599 PolarHBondContact O-N 2.93Å; C597-N599 VanDerWaalsContact C-N 3.35Å; N599-T601 VanDerWaalsContact C-N 3.35Å; N599-T601 PolarHBondContact O-N 3.09Å; N599-T601 WeakPolarHBondContact OD1-CA 3.36Å; N599-T601 VanDerWaalsContact OD1-CB 3.25Å; N599-T601 WeakPolarHBondContact OD1-CB 3.47Å; N599-T601 PolarHBondContact OD1-N 2.97Å; N599-V602 HydrophobicContact CB-CB 4.07Å; N599-V602 HydrophobicContact CB-CG2 3.82Å; N599-V602 WeakPolarHBondContact O-CB 3.44Å; N599-V602 PolarHBondContact O-N 3.04Å; N599-V602 VanDerWaalsContact O-N 3.15Å; N599-V602 PolarHBondContact OD1-N 2.94Å; N599-N603 PolarHBondContact O-N 3.41Å
600E93.1Very high94.7Very high167 Ų16764.6 Ų64.678%0.7831%0.308SS*.Hα-helixtrans-61.6-37.6-178.1-66.1-178.7174.100113.6V602 N603 K604E600-V602 VanDerWaalsContact C-N 3.32Å; E600-V602 PolarHBondContact O-N 3.07Å; E600-N603 WeakPolarHBondContact O-CB 3.37Å; E600-N603 PolarHBondContact O-N 3.09Å; E600-K604 WeakPolarHBondContact O-CB 3.27Å; E600-K604 PolarHBondContact O-N 3.09Å
601T94.1Very high95.2Very high72 Ų7257.6 Ų57.644%0.44228%0.279SS..Hα-helixtrans-64.1-40176.4-52.70000111.1I584 N599 F605I584-T601 HydrophobicContact CG2-CG2 3.93Å; N599-T601 VanDerWaalsContact C-N 3.35Å; N599-T601 PolarHBondContact O-N 3.09Å; N599-T601 WeakPolarHBondContact OD1-CA 3.36Å; N599-T601 VanDerWaalsContact OD1-CB 3.25Å; N599-T601 WeakPolarHBondContact OD1-CB 3.47Å; N599-T601 PolarHBondContact OD1-N 2.97Å; T601-F605 VanDerWaalsContact O-CB 3.29Å; T601-F605 WeakPolarHBondContact O-CB 3.39Å; T601-F605 PolarHBondContact O-N 3.14Å
602V95.8Very high95.4Very high0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-66.8-44.8175178.90000110.5L575 L579 L585 L596 N599 E600 K604 F605 V606 L630L575-V602 HydrophobicContact CD1-CG1 4.13Å; L575-V602 HydrophobicContact CD2-CG1 4.04Å; L579-V602 HydrophobicContact CD1-CG1 4.49Å; L579-V602 HydrophobicContact CD1-CG2 4.02Å; L579-V602 HydrophobicContact CD2-CG2 4.25Å; L585-V602 HydrophobicContact CD2-CG2 3.78Å; L596-V602 HydrophobicContact CD2-CG2 4.25Å; N599-V602 HydrophobicContact CB-CB 4.07Å; N599-V602 HydrophobicContact CB-CG2 3.82Å; N599-V602 WeakPolarHBondContact O-CB 3.44Å; N599-V602 PolarHBondContact O-N 3.04Å; N599-V602 VanDerWaalsContact O-N 3.15Å; N599-V602 PolarHBondContact OD1-N 2.94Å; E600-V602 VanDerWaalsContact C-N 3.32Å; E600-V602 PolarHBondContact O-N 3.07Å; V602-K604 PolarHBondContact O-N 2.88Å; V602-F605 PolarHBondContact O-N 2.79Å; V602-V606 HydrophobicContact CG1-CG2 4.34Å; V602-V606 WeakPolarHBondContact O-CG2 3.22Å; V602-V606 PolarHBondContact O-N 3.42Å; V602-L630 HydrophobicContact CG1-CD1 3.91Å
603N96.5Very high95.3Very high40 Ų4056.4 Ų56.421%0.21428%0.278CS..Hα-helixtrans-55.9-52.5176.9-172.4-65.7000111.5N599 E600 F605 V606 L607 I628 L630N599-N603 PolarHBondContact O-N 3.41Å; E600-N603 WeakPolarHBondContact O-CB 3.37Å; E600-N603 PolarHBondContact O-N 3.09Å; N603-F605 PolarHBondContact O-N 2.96Å; N603-V606 PolarHBondContact O-N 3.09Å; N603-L607 WeakPolarHBondContact O-CB 3.32Å; N603-L607 PolarHBondContact O-N 3.25Å; N603-I628 PolarHBondContact ND2-O 3.31Å; N603-I628 WeakPolarHBondContact OD1-CG1 3.44Å; N603-L630 HydrophobicContact CB-CD1 4.47Å
604K95.6Very high95.1Very high134 Ų13453.7 Ų53.758%0.58326%0.263SS*.Hα-helixtrans-59.1-44.8177.5-175.1175.8178.9176.20112E600 V602 V606 L607 E608E600-K604 WeakPolarHBondContact O-CB 3.27Å; E600-K604 PolarHBondContact O-N 3.09Å; V602-K604 PolarHBondContact O-N 2.88Å; K604-V606 PolarHBondContact O-N 2.92Å; K604-L607 PolarHBondContact O-N 3.41Å; K604-E608 WeakPolarHBondContact CE-OE1 3.27Å; K604-E608 WeakPolarHBondContact O-CB 3.42Å; K604-E608 WeakPolarHBondContact O-CG 3.4Å; K604-E608 PolarHBondContact O-N 3.17Å
605F96.3Very high94.9Very high17 Ų1756 Ų568%0.07528%0.276CS..Hα-helixtrans-59.5-46177.5172-103.2000112.4L549 L575 L579 I584 T601 V602 N603 E608 K609L549-F605 HydrophobicContact CD1-CD1 4.29Å; L549-F605 HydrophobicContact CD1-CE1 3.72Å; L549-F605 HydrophobicContact CD1-CZ 4.41Å; L575-F605 HydrophobicContact CD1-CD1 4.4Å; L575-F605 HydrophobicContact CD1-CE1 4.42Å; L579-F605 HydrophobicContact CD2-CD1 3.92Å; L579-F605 HydrophobicContact CD2-CE1 4.23Å; L579-F605 HydrophobicContact CD2-CG 4.43Å; I584-F605 HydrophobicContact CD1-CD2 3.94Å; I584-F605 HydrophobicContact CD1-CE2 4.05Å; I584-F605 HydrophobicContact CG1-CD2 3.85Å; I584-F605 HydrophobicContact CG1-CE2 3.84Å; I584-F605 HydrophobicContact CG1-CG 4.44Å; I584-F605 HydrophobicContact CG1-CZ 4.45Å; I584-F605 HydrophobicContact CG2-CB 4.03Å; I584-F605 HydrophobicContact CG2-CD2 4.15Å; I584-F605 HydrophobicContact CG2-CG 4.09Å; T601-F605 VanDerWaalsContact O-CB 3.29Å; T601-F605 WeakPolarHBondContact O-CB 3.39Å; T601-F605 PolarHBondContact O-N 3.14Å; V602-F605 PolarHBondContact O-N 2.79Å; N603-F605 PolarHBondContact O-N 2.96Å; F605-E608 PolarHBondContact O-N 2.86Å; F605-K609 HydrophobicContact CE1-CG 4.38Å; F605-K609 HydrophobicContact CE2-CD 4.44Å; F605-K609 VanDerWaalsContact CE2-CE 3.41Å; F605-K609 HydrophobicContact CE2-CG 4.13Å; F605-K609 HydrophobicContact CZ-CG 4.04Å; F605-K609 WeakPolarHBondContact O-CG 3.41Å; F605-K609 PolarHBondContact O-N 3.38Å; F605-K609 VanDerWaalsContact O-N 3.13Å
606V97.3Very high94.6Very high0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-63.5-46.5178174.70000110.1L549 L575 V602 N603 K604 E608 K609 M610 I628 L630L549-V606 HydrophobicContact CD1-CG2 4.31Å; L575-V606 HydrophobicContact CD1-CG2 3.78Å; V602-V606 HydrophobicContact CG1-CG2 4.34Å; V602-V606 WeakPolarHBondContact O-CG2 3.22Å; V602-V606 PolarHBondContact O-N 3.42Å; N603-V606 PolarHBondContact O-N 3.09Å; K604-V606 PolarHBondContact O-N 2.92Å; V606-E608 PolarHBondContact O-N 2.98Å; V606-K609 PolarHBondContact O-N 2.72Å; V606-M610 HydrophobicContact CG1-CG 4.26Å; V606-M610 HydrophobicContact CG1-SD 3.91Å; V606-M610 WeakPolarHBondContact O-CB 3.48Å; V606-M610 VanDerWaalsContact O-CG 3.27Å; V606-M610 WeakPolarHBondContact O-CG 3.39Å; V606-M610 PolarHBondContact O-N 2.91Å; V606-I628 HydrophobicContact CB-CD1 3.95Å; V606-I628 HydrophobicContact CG1-CD1 3.75Å; V606-L630 HydrophobicContact CB-CD1 4.49Å; V606-L630 HydrophobicContact CB-CD2 4.32Å; V606-L630 HydrophobicContact CG1-CD2 4Å; V606-L630 HydrophobicContact CG2-CD1 4.13Å
607L97.3Very high94Very high29 Ų2962.6 Ų62.615%0.15231%0.306CS..Hα-helixtrans-59.6-42.7178.5-179.763000112.6N603 K604 K609 M610 N611 V625 Q626 I628N603-L607 WeakPolarHBondContact O-CB 3.32Å; N603-L607 PolarHBondContact O-N 3.25Å; K604-L607 PolarHBondContact O-N 3.41Å; L607-K609 PolarHBondContact O-N 3.08Å; L607-M610 WeakPolarHBondContact O-CB 3.46Å; L607-M610 PolarHBondContact O-N 2.8Å; L607-N611 WeakPolarHBondContact O-CB 3.24Å; L607-N611 PolarHBondContact O-N 2.95Å; L607-V625 HydrophobicContact CD1-CG2 3.82Å; L607-V625 WeakPolarHBondContact CD1-O 3.45Å; L607-Q626 WeakPolarHBondContact CD2-O 2.95Å; L607-I628 HydrophobicContact CB-CD1 3.81Å; L607-I628 HydrophobicContact CB-CG1 4.19Å; L607-I628 HydrophobicContact CD1-CG2 3.77Å
608E96.6Very high93.4Very high108 Ų10869.3 Ų69.351%0.50534%0.34SS..Hα-helixtrans-61.5-43175.9-76.2174.8-175.600111.9K604 F605 V606 N611 A612K604-E608 WeakPolarHBondContact CE-OE1 3.27Å; K604-E608 WeakPolarHBondContact O-CB 3.42Å; K604-E608 WeakPolarHBondContact O-CG 3.4Å; K604-E608 PolarHBondContact O-N 3.17Å; F605-E608 PolarHBondContact O-N 2.86Å; V606-E608 PolarHBondContact O-N 2.98Å; E608-N611 PolarHBondContact O-N 3.02Å; E608-A612 WeakPolarHBondContact O-CB 3.31Å; E608-A612 PolarHBondContact O-N 2.9Å
609K95.4Very high92.7Very high103 Ų10360.9 Ų60.945%0.44831%0.309SS..Hα-helixtrans-67.3-38.9177-67.3-61.6-179.6-169.40112.3L549 F605 V606 L607 V613L549-K609 HydrophobicContact CD1-CB 3.88Å; L549-K609 HydrophobicContact CD1-CG 3.89Å; F605-K609 HydrophobicContact CE1-CG 4.38Å; F605-K609 HydrophobicContact CE2-CD 4.44Å; F605-K609 VanDerWaalsContact CE2-CE 3.41Å; F605-K609 HydrophobicContact CE2-CG 4.13Å; F605-K609 HydrophobicContact CZ-CG 4.04Å; F605-K609 WeakPolarHBondContact O-CG 3.41Å; F605-K609 PolarHBondContact O-N 3.38Å; F605-K609 VanDerWaalsContact O-N 3.13Å; V606-K609 PolarHBondContact O-N 2.72Å; L607-K609 PolarHBondContact O-N 3.08Å; K609-V613 PolarHBondContact O-N 3.28Å
610M97.4Very high92Very high0 Ų064.8 Ų64.80%032%0.324CS..Hα-helixtrans-58.3-52.6171.7-73.3-179.964.700110.4Y544 I550 I553 V568 V606 L607 A612 V613 A614 V625 I628Y544-M610 HydrophobicContact CD1-CB 3.79Å; Y544-M610 HydrophobicContact CD1-CE 3.79Å; Y544-M610 HydrophobicContact CD1-CG 4.22Å; Y544-M610 HydrophobicContact CD2-CE 4.33Å; Y544-M610 HydrophobicContact CE1-CB 3.64Å; Y544-M610 HydrophobicContact CE1-CE 4.03Å; Y544-M610 HydrophobicContact CE1-CG 4.5Å; Y544-M610 VanDerWaalsContact CE1-O 3.3Å; Y544-M610 WeakPolarHBondContact CE1-O 3.22Å; Y544-M610 HydrophobicContact CG-CE 3.96Å; I550-M610 HydrophobicContact CD1-CE 3.87Å; I550-M610 HydrophobicContact CD1-CG 3.85Å; I550-M610 HydrophobicContact CD1-SD 3.97Å; I550-M610 HydrophobicContact CG1-CG 4.44Å; I553-M610 HydrophobicContact CD1-CE 3.67Å; V568-M610 HydrophobicContact CG2-CE 4.01Å; V568-M610 HydrophobicContact CG2-SD 3.99Å; V606-M610 HydrophobicContact CG1-CG 4.26Å; V606-M610 HydrophobicContact CG1-SD 3.91Å; V606-M610 WeakPolarHBondContact O-CB 3.48Å; V606-M610 VanDerWaalsContact O-CG 3.27Å; V606-M610 WeakPolarHBondContact O-CG 3.39Å; V606-M610 PolarHBondContact O-N 2.91Å; L607-M610 WeakPolarHBondContact O-CB 3.46Å; L607-M610 PolarHBondContact O-N 2.8Å; M610-A612 VanDerWaalsContact C-N 3.31Å; M610-A612 PolarHBondContact O-N 2.85Å; M610-V613 WeakPolarHBondContact O-CB 3.46Å; M610-V613 PolarHBondContact O-N 3.24Å; M610-V613 VanDerWaalsContact O-N 3.08Å; M610-A614 PolarHBondContact O-N 3.15Å; M610-V625 HydrophobicContact CE-CG2 3.82Å; M610-I628 HydrophobicContact CE-CG2 4.22Å; M610-I628 HydrophobicContact SD-CD1 4.05Å; M610-I628 HydrophobicContact SD-CG2 4.14Å
611N96Very high91.5Very high30 Ų3059.2 Ų59.216%0.1631%0.311CS..Hα-helixtrans-70.5-25.1-176.2-77.8-17.4000113.8Y544 L607 E608 T615 V625Y544-N611 PolarHBondContact OH-OD1 3.3Å; L607-N611 WeakPolarHBondContact O-CB 3.24Å; L607-N611 PolarHBondContact O-N 2.95Å; E608-N611 PolarHBondContact O-N 3.02Å; N611-T615 WeakPolarHBondContact O-CB 3.45Å; N611-T615 PolarHBondContact O-N 3.39Å; N611-T615 PolarHBondContact O-OG1 2.99Å; N611-V625 PolarHBondContact ND2-O 3.04Å; N611-V625 PolarHBondContact OD1-O 3.39Å
612A94Very high90.9Very high57 Ų5757.6 Ų57.647%0.47130%0.298SS..Hα-helixtrans-62.6-45.6167.200000111.6E608 M610 T615 Q616E608-A612 WeakPolarHBondContact O-CB 3.31Å; E608-A612 PolarHBondContact O-N 2.9Å; M610-A612 VanDerWaalsContact C-N 3.31Å; M610-A612 PolarHBondContact O-N 2.85Å; A612-T615 PolarHBondContact O-N 2.98Å; A612-Q616 WeakPolarHBondContact O-CB 3.39Å; A612-Q616 PolarHBondContact O-N 3.44Å
613V90.5Very high90.5Very high18 Ų1858.1 Ų58.111%0.10930%0.301CS..Hα-helixtrans-63.2-46.3174.71710000110.9V543 C547 K609 M610 T615 Q616 K617V543-V613 WeakPolarHBondContact O-CG1 3.46Å; C547-V613 HydrophobicContact CB-CG2 4.02Å; K609-V613 PolarHBondContact O-N 3.28Å; M610-V613 WeakPolarHBondContact O-CB 3.46Å; M610-V613 PolarHBondContact O-N 3.24Å; M610-V613 VanDerWaalsContact O-N 3.08Å; V613-T615 VanDerWaalsContact C-N 3.29Å; V613-T615 PolarHBondContact O-N 3.43Å; V613-Q616 WeakPolarHBondContact O-CB 3.27Å; V613-Q616 PolarHBondContact O-N 2.89Å; V613-K617 HydrophobicContact CG1-CG 4.17Å; V613-K617 WeakPolarHBondContact O-CB 3.25Å; V613-K617 VanDerWaalsContact O-CG 3.24Å; V613-K617 WeakPolarHBondContact O-CG 3.23Å; V613-K617 PolarHBondContact O-N 3.24Å
614A90Very high90.4Very high0 Ų058.2 Ų58.20%030%0.299CS..Hα-helixtrans-55.7-44.4177.300000112Y544 M610 K617 L618 L619 K624Y544-A614 HydrophobicContact CE1-CB 3.81Å; M610-A614 PolarHBondContact O-N 3.15Å; A614-K617 CarbonylContact O-C 3.56Å; A614-K617 PolarHBondContact O-N 3.1Å; A614-L618 PolarHBondContact O-N 3.07Å; A614-L618 VanDerWaalsContact O-N 3.14Å; A614-L619 HydrophobicContact CB-CB 4.14Å; A614-L619 HydrophobicContact CB-CD1 3.76Å; A614-L619 HydrophobicContact CB-CG 4.33Å; A614-L619 PolarHBondContact O-N 2.89Å; A614-K624 HydrophobicContact CB-CD 4.35Å; A614-K624 HydrophobicContact CB-CG 3.99Å
615T92.4Very high90.4Very high74 Ų7451.8 Ų51.845%0.45427%0.271SS..Hα-helixtrans-65.2-45.7177-53.60000111.6N611 A612 V613 K617 L618 K624N611-T615 WeakPolarHBondContact O-CB 3.45Å; N611-T615 PolarHBondContact O-N 3.39Å; N611-T615 PolarHBondContact O-OG1 2.99Å; A612-T615 PolarHBondContact O-N 2.98Å; V613-T615 VanDerWaalsContact C-N 3.29Å; V613-T615 PolarHBondContact O-N 3.43Å; T615-K617 PolarHBondContact O-N 3.43Å; T615-L618 PolarHBondContact O-N 3.48Å; T615-L618 VanDerWaalsContact O-N 3.1Å; T615-K624 PolarHBondContact OG1-NZ 2.71Å
616Q88.4Confident90.3Very high149 Ų14954.2 Ų54.270%0.69628%0.283SS*.Hα-helixtrans-60-33.5176.9-173.6-172.613.900112.3A612 V613 L618A612-Q616 WeakPolarHBondContact O-CB 3.39Å; A612-Q616 PolarHBondContact O-N 3.44Å; V613-Q616 WeakPolarHBondContact O-CB 3.27Å; V613-Q616 PolarHBondContact O-N 2.89Å; Q616-L618 VanDerWaalsContact C-N 3.32Å
617K82.7Confident90.3Very high80 Ų8054.7 Ų54.735%0.34829%0.287SS..THydrogen-bonded Turntrans-92.99.4-179.2-61.3-71.4-176.3162.20113.1V543 Y546 V613 A614 T615 L619V543-K617 HydrophobicContact CG1-CB 3.55Å; V543-K617 HydrophobicContact CG1-CG 3.9Å; V543-K617 HydrophobicContact CG2-CB 4.4Å; Y546-K617 VanDerWaalsContact CD1-NZ 3.3Å; Y546-K617 HydrophobicContact CD2-CD 4.27Å; Y546-K617 VanDerWaalsContact CE1-NZ 3.25Å; Y546-K617 HydrophobicContact CE2-CD 4.5Å; V613-K617 HydrophobicContact CG1-CG 4.17Å; V613-K617 WeakPolarHBondContact O-CB 3.25Å; V613-K617 VanDerWaalsContact O-CG 3.24Å; V613-K617 WeakPolarHBondContact O-CG 3.23Å; V613-K617 PolarHBondContact O-N 3.24Å; A614-K617 CarbonylContact O-C 3.56Å; A614-K617 PolarHBondContact O-N 3.1Å; T615-K617 PolarHBondContact O-N 3.43Å; K617-L619 VanDerWaalsContact C-N 3.32Å; K617-L619 PolarHBondContact O-N 3.48Å
618L82.2Confident90.3Very high150 Ų15053.5 Ų53.579%0.78528%0.28SS*.THydrogen-bonded Turntrans61.732.8174.7-51.9174.3000114.1A614 T615 Q616 K620A614-L618 PolarHBondContact O-N 3.07Å; A614-L618 VanDerWaalsContact O-N 3.14Å; T615-L618 PolarHBondContact O-N 3.48Å; T615-L618 VanDerWaalsContact O-N 3.1Å; Q616-L618 VanDerWaalsContact C-N 3.32Å; L618-K620 PolarHBondContact O-N 3.24Å
619L81.8Confident90.3Very high11 Ų1152.7 Ų52.76%0.05827%0.273CS..  trans-64.7134.4164.8-71.1-175.7000109.8I540 V543 Y544 A614 K617 E623 K624I540-L619 HydrophobicContact CG1-CD2 4.43Å; I540-L619 HydrophobicContact CG2-CD1 3.87Å; V543-L619 HydrophobicContact CB-CD1 3.95Å; V543-L619 HydrophobicContact CB-CD2 4.44Å; V543-L619 HydrophobicContact CB-CG 4.3Å; V543-L619 HydrophobicContact CG1-CD1 3.58Å; V543-L619 HydrophobicContact CG1-CD2 4.48Å; V543-L619 HydrophobicContact CG1-CG 3.85Å; V543-L619 HydrophobicContact CG2-CD1 4.47Å; V543-L619 HydrophobicContact CG2-CD2 4.07Å; V543-L619 HydrophobicContact CG2-CG 4.32Å; Y544-L619 HydrophobicContact CE2-CD1 4.43Å; A614-L619 HydrophobicContact CB-CB 4.14Å; A614-L619 HydrophobicContact CB-CD1 3.76Å; A614-L619 HydrophobicContact CB-CG 4.33Å; A614-L619 PolarHBondContact O-N 2.89Å; K617-L619 VanDerWaalsContact C-N 3.32Å; K617-L619 PolarHBondContact O-N 3.48Å; L619-E623 HydrophobicContact CB-CB 4.09Å; L619-E623 HydrophobicContact CD2-CB 4.22Å; L619-K624 HydrophobicContact CB-CG 4.48Å; L619-K624 WeakPolarHBondContact O-CE 3.26Å
620K77.9Confident90.5Very high122 Ų12247.9 Ų47.953%0.5325%0.253SS..  trans-64157.8175.1-62.4178.7178.3-178.10109.9L618 F622 E623 K624L618-K620 PolarHBondContact O-N 3.24Å; K620-F622 VanDerWaalsContact C-N 3.26Å; K620-F622 HydrophobicContact CB-CD1 3.97Å; K620-F622 HydrophobicContact CB-CE1 3.75Å; K620-F622 HydrophobicContact CB-CG 4.48Å; K620-F622 HydrophobicContact CB-CZ 4.05Å; K620-F622 HydrophobicContact CD-CD1 4.37Å; K620-F622 HydrophobicContact CD-CE1 3.35Å; K620-F622 HydrophobicContact CD-CE2 4.27Å; K620-F622 HydrophobicContact CD-CZ 3.29Å; K620-F622 HydrophobicContact CG-CE1 4.21Å; K620-F622 HydrophobicContact CG-CZ 4.32Å; K620-F622 PolarHBondContact O-N 3.19Å; K620-E623 HydrophobicContact CB-CG 4.14Å; K620-E623 PolarHBondContact N-OE2 3.45Å; K620-E623 WeakPolarHBondContact O-CB 3.38Å; K620-E623 PolarHBondContact O-N 3.06Å; K620-K624 PolarHBondContact O-N 3.34Å
621G84.5Confident90.5Very high49 Ų4948.1 Ų48.151%0.50525%0.254SS..G310 helixtrans-53.5-42.4-177.700000113.4E623 K624G621-E623 VanDerWaalsContact C-N 3.28Å; G621-E623 PolarHBondContact O-N 3.32Å; G621-K624 PolarHBondContact O-N 3.4Å
622F80.5Confident90.5Very high38 Ų3850.2 Ų50.217%0.16727%0.266CS..G310 helixtrans-73-14.8177.964.5-103.4000114.4L529 Q531 E533 I535 P564 K620L529-F622 HydrophobicContact CD1-CB 4.19Å; L529-F622 HydrophobicContact CD1-CD2 4.47Å; L529-F622 WeakPolarHBondContact CD1-O 3.49Å; Q531-F622 VanDerWaalsContact NE2-CB 3.27Å; E533-F622 HydrophobicContact CB-CD1 4.47Å; E533-F622 HydrophobicContact CB-CD2 3.82Å; E533-F622 HydrophobicContact CB-CE1 4.4Å; E533-F622 HydrophobicContact CB-CE2 3.79Å; E533-F622 HydrophobicContact CB-CG 4.18Å; E533-F622 HydrophobicContact CB-CZ 4.07Å; E533-F622 VanDerWaalsContact CD-CZ 3.48Å; E533-F622 HydrophobicContact CG-CD1 3.93Å; E533-F622 HydrophobicContact CG-CD2 4.18Å; E533-F622 HydrophobicContact CG-CE1 3.78Å; E533-F622 HydrophobicContact CG-CE2 4.09Å; E533-F622 HydrophobicContact CG-CG 4.11Å; E533-F622 HydrophobicContact CG-CZ 3.86Å; E533-F622 WeakPolarHBondContact OE2-CZ 3.44Å; I535-F622 HydrophobicContact CD1-CD2 3.63Å; I535-F622 HydrophobicContact CD1-CE2 3.99Å; P564-F622 WeakPolarHBondContact CD-O 3.19Å; K620-F622 VanDerWaalsContact C-N 3.26Å; K620-F622 HydrophobicContact CB-CD1 3.97Å; K620-F622 HydrophobicContact CB-CE1 3.75Å; K620-F622 HydrophobicContact CB-CG 4.48Å; K620-F622 HydrophobicContact CB-CZ 4.05Å; K620-F622 HydrophobicContact CD-CD1 4.37Å; K620-F622 HydrophobicContact CD-CE1 3.35Å; K620-F622 HydrophobicContact CD-CE2 4.27Å; K620-F622 HydrophobicContact CD-CZ 3.29Å; K620-F622 HydrophobicContact CG-CE1 4.21Å; K620-F622 HydrophobicContact CG-CZ 4.32Å; K620-F622 PolarHBondContact O-N 3.19Å
623E87.3Confident90.6Very high11 Ų1150.4 Ų50.45%0.05126%0.256CS..G310 helixtrans-86.4-12.3174.4-63.9179.2123.800111.9I535 K539 I540 L619 K620 G621I535-E623 HydrophobicContact CD1-CB 4.37Å; I535-E623 HydrophobicContact CD1-CG 3.88Å; K539-E623 IonicContact NZ-OE1 3.47Å; K539-E623 PolarHBondContact NZ-OE1 2.96Å; K539-E623 IonicContact NZ-OE2 2.7Å; I540-E623 HydrophobicContact CD1-CB 3.78Å; I540-E623 HydrophobicContact CD1-CG 4.15Å; I540-E623 HydrophobicContact CG1-CB 4.25Å; I540-E623 WeakPolarHBondContact CG2-O 3.07Å; L619-E623 HydrophobicContact CB-CB 4.09Å; L619-E623 HydrophobicContact CD2-CB 4.22Å; K620-E623 HydrophobicContact CB-CG 4.14Å; K620-E623 PolarHBondContact N-OE2 3.45Å; K620-E623 WeakPolarHBondContact O-CB 3.38Å; K620-E623 PolarHBondContact O-N 3.06Å; G621-E623 VanDerWaalsContact C-N 3.28Å; G621-E623 PolarHBondContact O-N 3.32Å
624K94.3Very high90.8Very high42 Ų4251.6 Ų51.618%0.18327%0.269CS..SBendtrans-80.6132.6179.9-61.2-176-169.6175.60110.3Y544 P564 A614 T615 L619 K620 G621 Q626Y544-K624 WeakPolarHBondContact OH-CA 3.42Å; P564-K624 WeakPolarHBondContact CD-O 3.29Å; A614-K624 HydrophobicContact CB-CD 4.35Å; A614-K624 HydrophobicContact CB-CG 3.99Å; T615-K624 PolarHBondContact OG1-NZ 2.71Å; L619-K624 HydrophobicContact CB-CG 4.48Å; L619-K624 WeakPolarHBondContact O-CE 3.26Å; K620-K624 PolarHBondContact O-N 3.34Å; G621-K624 PolarHBondContact O-N 3.4Å; K624-Q626 PolarHBondContact O-N 2.74Å
625V96Very high90.9Very high0 Ų052 Ų520%027%0.27CS..  trans-66.3134172-58.40000109.8Y544 I555 P564 A566 L607 M610 N611 I628Y544-V625 HydrophobicContact CE1-CG2 4.44Å; Y544-V625 HydrophobicContact CE2-CG1 3.85Å; Y544-V625 HydrophobicContact CE2-CG2 4.14Å; Y544-V625 PolarHBondContact OH-N 2.92Å; I555-V625 HydrophobicContact CD1-CG1 4.3Å; I555-V625 HydrophobicContact CG1-CG1 4.37Å; P564-V625 HydrophobicContact CB-CG1 4.38Å; P564-V625 HydrophobicContact CG-CG1 4.19Å; P564-V625 WeakPolarHBondContact O-CA 3.43Å; A566-V625 HydrophobicContact CB-CB 4.47Å; A566-V625 HydrophobicContact CB-CG1 3.98Å; L607-V625 HydrophobicContact CD1-CG2 3.82Å; L607-V625 WeakPolarHBondContact CD1-O 3.45Å; M610-V625 HydrophobicContact CE-CG2 3.82Å; N611-V625 PolarHBondContact ND2-O 3.04Å; N611-V625 PolarHBondContact OD1-O 3.39Å; V625-I628 HydrophobicContact CG2-CG2 3.83Å
626Q94.1Very high90.8Very high67 Ų6750.7 Ų50.731%0.31326%0.262SS..SBendtrans-103-18.1-178.8-66-66.4-15.100113.1Y563 P564 L607 K624 H668Y563-Q626 HydrophobicContact CD1-CB 4.26Å; Y563-Q626 HydrophobicContact CD1-CG 3.96Å; Y563-Q626 HydrophobicContact CD2-CB 3.5Å; Y563-Q626 HydrophobicContact CD2-CG 3.84Å; Y563-Q626 HydrophobicContact CE2-CB 3.97Å; Y563-Q626 HydrophobicContact CG-CB 3.68Å; Y563-Q626 HydrophobicContact CG-CG 3.45Å; Y563-Q626 VanDerWaalsContact CG-CG 3.45Å; P564-Q626 PolarHBondContact O-N 3.31Å; P564-Q626 VanDerWaalsContact O-N 3.16Å; L607-Q626 WeakPolarHBondContact CD2-O 2.95Å; K624-Q626 PolarHBondContact O-N 2.74Å; Q626-H668 PolarHBondContact O-CE1 3.24Å; Q626-H668 PolarHBondContact O-ND1 3.25Å; Q626-H668 VanDerWaalsContact O-ND1 3.16Å
627A96.1Very high90.4Very high11 Ų1146.2 Ų46.29%0.09125%0.245CC..EExtended strand (participates in β ladder)trans-144.2145.5174.800000110V565 A566 L664 H668V565-A627 WeakPolarHBondContact CA-O 3.16Å; V565-A627 HydrophobicContact CG1-CB 4.05Å; A566-A627 PolarHBondContact N-O 2.97Å; A566-A627 VanDerWaalsContact N-O 3.1Å; A627-L664 HydrophobicContact CB-CB 4.18Å; A627-L664 HydrophobicContact CB-CD2 4.25Å; A627-H668 HydrophobicContact CB-CB 4.18Å
628I97.8Very high90.4Very high3 Ų349.9 Ų49.92%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-132.2147.3178.865176.8000111.3A566 V568 N603 V606 L607 M610 V625 L630 L664A566-I628 HydrophobicContact CB-CG2 4.16Å; A566-I628 CarbonylContact O-C 3.3Å; A566-I628 WeakPolarHBondContact O-CA 3.4Å; V568-I628 HydrophobicContact CG2-CB 4.3Å; V568-I628 HydrophobicContact CG2-CG2 4.31Å; N603-I628 PolarHBondContact ND2-O 3.31Å; N603-I628 WeakPolarHBondContact OD1-CG1 3.44Å; V606-I628 HydrophobicContact CB-CD1 3.95Å; V606-I628 HydrophobicContact CG1-CD1 3.75Å; L607-I628 HydrophobicContact CB-CD1 3.81Å; L607-I628 HydrophobicContact CB-CG1 4.19Å; L607-I628 HydrophobicContact CD1-CG2 3.77Å; M610-I628 HydrophobicContact CE-CG2 4.22Å; M610-I628 HydrophobicContact SD-CD1 4.05Å; M610-I628 HydrophobicContact SD-CG2 4.14Å; V625-I628 HydrophobicContact CG2-CG2 3.83Å; I628-L630 HydrophobicContact CD1-CD2 3.75Å; I628-L630 HydrophobicContact CG1-CD2 4.33Å; I628-L664 VanDerWaalsContact C-CD2 3.45Å; I628-L664 WeakPolarHBondContact O-CD2 3.41Å
629Y98.1Very high90.8Very high91 Ų9145.1 Ų45.136%0.35724%0.244SC..EExtended strand (participates in β ladder)trans-107.8122.1164.9176-109.4000108.7A566 V567 V568 T631 F657 T660A566-Y629 PolarHBondContact O-N 3.35Å; V567-Y629 WeakPolarHBondContact CA-O 3.5Å; V567-Y629 HydrophobicContact CG1-CD1 4.07Å; V567-Y629 HydrophobicContact CG2-CD1 4.42Å; V568-Y629 PolarHBondContact N-O 3.04Å; Y629-T631 HydrophobicContact CE1-CG2 4.45Å; Y629-F657 HydrophobicContact CE1-CE1 4.5Å; Y629-T660 HydrophobicContact CD1-CG2 3.45Å; Y629-T660 VanDerWaalsContact CD1-CG2 3.45Å; Y629-T660 HydrophobicContact CD2-CG2 3.59Å; Y629-T660 HydrophobicContact CE1-CG2 3.95Å; Y629-T660 HydrophobicContact CE2-CG2 4.1Å; Y629-T660 HydrophobicContact CG-CG2 3.23Å
630L98.2Very high90.8Very high2 Ų245.5 Ų45.51%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-87.6137.2172.9-57.3-173.8000109.2V568 P570 C597 V602 N603 V606 I628V568-L630 HydrophobicContact CB-CD2 3.91Å; V568-L630 HydrophobicContact CG1-CD2 4.14Å; V568-L630 WeakPolarHBondContact O-CA 3.31Å; P570-L630 HydrophobicContact CG-CB 4.44Å; P570-L630 HydrophobicContact CG-CD2 4.29Å; C597-L630 HydrophobicContact CB-CB 3.83Å; C597-L630 WeakPolarHBondContact CB-O 3.34Å; V602-L630 HydrophobicContact CG1-CD1 3.91Å; N603-L630 HydrophobicContact CB-CD1 4.47Å; V606-L630 HydrophobicContact CB-CD1 4.49Å; V606-L630 HydrophobicContact CB-CD2 4.32Å; V606-L630 HydrophobicContact CG1-CD2 4Å; V606-L630 HydrophobicContact CG2-CD1 4.13Å; I628-L630 HydrophobicContact CD1-CD2 3.75Å; I628-L630 HydrophobicContact CG1-CD2 4.33Å
631T97.5Very high91.3Very high5 Ų539.8 Ų39.83%0.03123%0.225CC..  trans-138.8144.9175.5-172.60000111.7V567 V568 V569 P570 C597 Y629 E633V567-T631 HydrophobicContact CG1-CG2 3.91Å; V568-T631 PolarHBondContact O-N 3.42Å; V569-T631 WeakPolarHBondContact CA-O 3.34Å; V569-T631 HydrophobicContact CG2-CG2 3.91Å; P570-T631 WeakPolarHBondContact CD-O 3.48Å; C597-T631 VanDerWaalsContact SG-C 3.58Å; Y629-T631 HydrophobicContact CE1-CG2 4.45Å; T631-E633 VanDerWaalsContact C-N 3.33Å; T631-E633 PolarHBondContact OG1-N 2.77Å; T631-E633 VanDerWaalsContact OG1-N 3.15Å
632D95.8Very high91.3Very high75 Ų7538.2 Ų38.240%0.40121%0.205SC..SBendtrans-85.3-6.7169.655-17.1000112.8F572 D593 S594 A634F572-D632 HydrophobicContact CE2-CB 4.21Å; F572-D632 HydrophobicContact CZ-CB 3.82Å; D593-D632 HydrophobicContact CB-CB 4.26Å; S594-D632 VanDerWaalsContact CA-OD2 3.27Å; S594-D632 WeakPolarHBondContact CA-OD2 3.05Å; S594-D632 WeakPolarHBondContact CB-OD2 3.08Å; S594-D632 PolarHBondContact N-OD2 3.19Å; S594-D632 PolarHBondContact OG-OD2 3.35Å; S594-D632 VanDerWaalsContact OG-OD2 3.07Å; D632-A634 PolarHBondContact O-N 2.93Å
633E95.6Very high91.1Very high60 Ų6037.5 Ų37.528%0.2820%0.204SC..  trans-81.3108.6175.1-167.1-172.6165.700111V569 T631 N639 Y656V569-E633 WeakPolarHBondContact CG2-O 3.46Å; T631-E633 VanDerWaalsContact C-N 3.33Å; T631-E633 PolarHBondContact OG1-N 2.77Å; T631-E633 VanDerWaalsContact OG1-N 3.15Å; E633-N639 PolarHBondContact OE1-ND2 3.12Å; E633-Y656 PolarHBondContact OE1-OH 3.26Å; E633-Y656 WeakPolarHBondContact OE2-CE1 3.29Å; E633-Y656 PolarHBondContact OE2-OH 2.78Å
634A94.9Very high90.1Very high44 Ų4439.7 Ų39.736%0.36422%0.219SC..  trans-67.9145.6174.500000111.9D632 T636 N639D632-A634 PolarHBondContact O-N 2.93Å; A634-T636 HydrophobicContact CB-CG2 4.33Å; A634-T636 PolarHBondContact O-N 3.12Å; A634-N639 PolarHBondContact O-ND2 2.96Å
635F93.8Very high88.7Confident7 Ų740.8 Ų40.83%0.03123%0.23CC..  trans-75122.3168.9-48-26.2000108.7Q552 F554 V567 V569 L641 L642 L648 F657Q552-F635 HydrophobicContact CB-CD2 3.77Å; Q552-F635 HydrophobicContact CB-CE2 3.94Å; Q552-F635 HydrophobicContact CB-CG 4.47Å; Q552-F635 PolarHBondContact NE2-O 2.86Å; F554-F635 HydrophobicContact CB-CE2 3.94Å; F554-F635 HydrophobicContact CB-CZ 3.97Å; V567-F635 HydrophobicContact CG1-CE1 4.24Å; V567-F635 HydrophobicContact CG1-CZ 4.04Å; V569-F635 HydrophobicContact CG2-CD1 4.22Å; V569-F635 HydrophobicContact CG2-CE1 3.91Å; V569-F635 HydrophobicContact CG2-CZ 4.09Å; F635-L641 HydrophobicContact CB-CB 3.84Å; F635-L641 HydrophobicContact CB-CD1 4.39Å; F635-L641 HydrophobicContact CD1-CB 4.39Å; F635-L641 HydrophobicContact CD1-CD1 3.54Å; F635-L641 HydrophobicContact CE1-CD1 4.25Å; F635-L641 HydrophobicContact CG-CB 4.31Å; F635-L641 HydrophobicContact CG-CD1 4.28Å; F635-L642 HydrophobicContact CB-CD2 3.99Å; F635-L642 HydrophobicContact CB-CG 4.02Å; F635-L642 WeakPolarHBondContact O-CD1 3.46Å; F635-L648 HydrophobicContact CD2-CD1 3.65Å; F635-L648 HydrophobicContact CE2-CD1 4.03Å; F635-L648 HydrophobicContact CG-CD1 4.28Å; F635-F657 HydrophobicContact CD1-CE2 4.33Å; F635-F657 HydrophobicContact CD1-CZ 4.48Å; F635-F657 AromaticContact CE1-CE2 3.6Å; F635-F657 HydrophobicContact CE1-CE2 3.6Å; F635-F657 AromaticContact CE1-CZ 3.77Å; F635-F657 HydrophobicContact CE1-CZ 3.77Å; F635-F657 HydrophobicContact CZ-CE2 4.26Å
636T89.8Confident87.7Confident48 Ų4844 Ų4429%0.29425%0.245SC..  trans-130.7168.7-177.868.50000110.9A634 D638 N639 L641 L642A634-T636 HydrophobicContact CB-CG2 4.33Å; A634-T636 PolarHBondContact O-N 3.12Å; T636-D638 VanDerWaalsContact C-N 3.29Å; T636-D638 PolarHBondContact OG1-N 2.88Å; T636-N639 PolarHBondContact N-OD1 2.95Å; T636-N639 PolarHBondContact O-OD1 3.16Å; T636-N639 VanDerWaalsContact OG1-CG 3.29Å; T636-N639 PolarHBondContact OG1-N 2.88Å; T636-N639 PolarHBondContact OG1-OD1 3.04Å; T636-N639 VanDerWaalsContact OG1-OD1 3.11Å; T636-L641 PolarHBondContact O-N 2.8Å; T636-L642 PolarHBondContact O-N 3.48Å
637V79Confident86.8Confident54 Ų5444.6 Ų44.633%0.32725%0.247SC..THydrogen-bonded Turntrans-69-36.6169.6-177.70000109.6G640 L642 T643 M646V637-G640 WeakPolarHBondContact O-CA 3.22Å; V637-G640 PolarHBondContact O-N 3.12Å; V637-L642 HydrophobicContact CG2-CB 4.13Å; V637-T643 WeakPolarHBondContact CG2-O 3.48Å; V637-M646 HydrophobicContact CG2-SD 3.84Å
638D83.5Confident86.2Confident157 Ų15745.7 Ų45.784%0.8425%0.251SS*.THydrogen-bonded Turntrans-64.6-40.3-176.8-56.8-22.5000113.1T636 G640T636-D638 VanDerWaalsContact C-N 3.29Å; T636-D638 PolarHBondContact OG1-N 2.88Å; D638-G640 PolarHBondContact O-N 3Å
639N89.3Confident85.5Confident51 Ų5146 Ų4627%0.27325%0.253SS..THydrogen-bonded Turntrans-846.8171.968.86.7000113.2E633 A634 T636 L641E633-N639 PolarHBondContact OE1-ND2 3.12Å; A634-N639 PolarHBondContact O-ND2 2.96Å; T636-N639 PolarHBondContact N-OD1 2.95Å; T636-N639 PolarHBondContact O-OD1 3.16Å; T636-N639 VanDerWaalsContact OG1-CG 3.29Å; T636-N639 PolarHBondContact OG1-N 2.88Å; T636-N639 PolarHBondContact OG1-OD1 3.04Å; T636-N639 VanDerWaalsContact OG1-OD1 3.11Å; N639-L641 PolarHBondContact O-N 3.16Å; N639-L641 VanDerWaalsContact O-N 3.15Å; N639-L641 VanDerWaalsContact OD1-CB 3.31Å; N639-L641 WeakPolarHBondContact OD1-CB 3.45Å; N639-L641 WeakPolarHBondContact OD1-CG 3.39Å; N639-L641 PolarHBondContact OD1-N 3.02Å
640G82.7Confident85Confident18 Ų1843 Ų4319%0.18624%0.241CC..THydrogen-bonded Turntrans71.42.2176.700000115.2V637 D638 L642 S649 K652V637-G640 WeakPolarHBondContact O-CA 3.22Å; V637-G640 PolarHBondContact O-N 3.12Å; D638-G640 PolarHBondContact O-N 3Å; G640-L642 VanDerWaalsContact C-N 3.32Å; G640-S649 WeakPolarHBondContact O-CB 3.36Å; G640-S649 PolarHBondContact O-OG 3.06Å; G640-K652 VanDerWaalsContact O-CD 3.23Å; G640-K652 WeakPolarHBondContact O-CD 3.29Å
641L89.3Confident84.2Confident2 Ų244.9 Ų44.91%0.0125%0.252CS..SBendtrans-76.6-20.5-180-61.8-178.3000112.4F635 T636 N639 S649 A653 Y656 F657F635-L641 HydrophobicContact CB-CB 3.84Å; F635-L641 HydrophobicContact CB-CD1 4.39Å; F635-L641 HydrophobicContact CD1-CB 4.39Å; F635-L641 HydrophobicContact CD1-CD1 3.54Å; F635-L641 HydrophobicContact CE1-CD1 4.25Å; F635-L641 HydrophobicContact CG-CB 4.31Å; F635-L641 HydrophobicContact CG-CD1 4.28Å; T636-L641 PolarHBondContact O-N 2.8Å; N639-L641 PolarHBondContact O-N 3.16Å; N639-L641 VanDerWaalsContact O-N 3.15Å; N639-L641 VanDerWaalsContact OD1-CB 3.31Å; N639-L641 WeakPolarHBondContact OD1-CB 3.45Å; N639-L641 WeakPolarHBondContact OD1-CG 3.39Å; N639-L641 PolarHBondContact OD1-N 3.02Å; L641-S649 WeakPolarHBondContact O-CB 3.47Å; L641-S649 PolarHBondContact O-N 3.16Å; L641-A653 HydrophobicContact CD2-CB 4.13Å; L641-Y656 HydrophobicContact CD1-CD1 4.27Å; L641-Y656 HydrophobicContact CD1-CE1 4.45Å; L641-Y656 HydrophobicContact CD2-CD1 4.31Å; L641-Y656 HydrophobicContact CD2-CG 4.13Å; L641-F657 HydrophobicContact CD1-CE2 4.01Å; L641-F657 HydrophobicContact CD1-CZ 4.22Å
642L83.8Confident83.6Confident16 Ų1649.9 Ų49.98%0.08427%0.273CS..BIsolated β-bridgetrans-113.3150.9168.5-58.2-177000111.7F635 T636 V637 G640 M646 K647 L648F635-L642 HydrophobicContact CB-CD2 3.99Å; F635-L642 HydrophobicContact CB-CG 4.02Å; F635-L642 WeakPolarHBondContact O-CD1 3.46Å; T636-L642 PolarHBondContact O-N 3.48Å; V637-L642 HydrophobicContact CG2-CB 4.13Å; G640-L642 VanDerWaalsContact C-N 3.32Å; L642-M646 HydrophobicContact CD1-CE 3.59Å; L642-M646 HydrophobicContact CD1-SD 4.48Å; L642-K647 CarbonylContact C-O 3.59Å; L642-K647 VanDerWaalsContact CA-O 3.31Å; L642-K647 WeakPolarHBondContact CA-O 3.28Å; L642-L648 HydrophobicContact CD2-CB 4.49Å; L642-L648 HydrophobicContact CD2-CD1 4.35Å
643T75.5Confident83.4Confident23 Ų2346.3 Ų46.314%0.14125%0.254CS..  trans-77164.5167.462.90000110.7V637 T645 M646 K647V637-T643 WeakPolarHBondContact CG2-O 3.48Å; T643-T645 PolarHBondContact O-N 2.93Å; T643-T645 VanDerWaalsContact O-N 3.08Å; T643-T645 PolarHBondContact OG1-OG1 2.95Å; T643-T645 VanDerWaalsContact OG1-OG1 3.06Å; T643-M646 WeakPolarHBondContact O-CA 3.44Å; T643-M646 PolarHBondContact O-N 2.77Å; T643-K647 HydrophobicContact CG2-CB 4.41Å; T643-K647 PolarHBondContact N-O 3.36Å; T643-K647 WeakPolarHBondContact OG1-CB 3.33Å; T643-K647 PolarHBondContact OG1-N 3.38Å; T643-K647 VanDerWaalsContact OG1-N 3.08Å; T643-K647 PolarHBondContact OG1-O 3.12Å
644P67.5Low83.2Confident57 Ų5747.2 Ų47.237%0.3726%0.255SS..THydrogen-bonded Turntrans-57.3-23.8172.7-2735.8000114.3M646P644-M646 VanDerWaalsContact C-N 3.25Å; P644-M646 PolarHBondContact O-N 3.49Å
645T65.3Low83Confident66 Ų6650.7 Ų50.741%0.40527%0.267SS..THydrogen-bonded Turntrans-85.25.917366.50000113.6T643 K647T643-T645 PolarHBondContact O-N 2.93Å; T643-T645 VanDerWaalsContact O-N 3.08Å; T643-T645 PolarHBondContact OG1-OG1 2.95Å; T643-T645 VanDerWaalsContact OG1-OG1 3.06Å; T645-K647 VanDerWaalsContact C-N 3.29Å; T645-K647 PolarHBondContact O-N 3.34Å
646M74.5Confident83Confident66 Ų6656.2 Ų56.233%0.32529%0.289SS..SBendtrans69.818.7177.1-51.3-72.3-54.300114.8R334 V637 L642 T643 P644R334-M646 VanDerWaalsContact CZ-CE 3.44Å; R334-M646 PolarHBondContact NH1-SD 3.11Å; R334-M646 VanDerWaalsContact NH1-SD 3.41Å; V637-M646 HydrophobicContact CG2-SD 3.84Å; L642-M646 HydrophobicContact CD1-CE 3.59Å; L642-M646 HydrophobicContact CD1-SD 4.48Å; T643-M646 WeakPolarHBondContact O-CA 3.44Å; T643-M646 PolarHBondContact O-N 2.77Å; P644-M646 VanDerWaalsContact C-N 3.25Å; P644-M646 PolarHBondContact O-N 3.49Å
647K75.5Confident83.3Confident81 Ų8154.2 Ų54.235%0.35228%0.276SS..  trans-80.7146.7168-61.3-178.4177.7-176.30111.1S402 L642 T643 T645 S649S402-K647 WeakPolarHBondContact O-CE 3.38Å; S402-K647 PolarHBondContact O-NZ 3.3Å; L642-K647 CarbonylContact C-O 3.59Å; L642-K647 VanDerWaalsContact CA-O 3.31Å; L642-K647 WeakPolarHBondContact CA-O 3.28Å; T643-K647 HydrophobicContact CG2-CB 4.41Å; T643-K647 PolarHBondContact N-O 3.36Å; T643-K647 WeakPolarHBondContact OG1-CB 3.33Å; T643-K647 PolarHBondContact OG1-N 3.38Å; T643-K647 VanDerWaalsContact OG1-N 3.08Å; T643-K647 PolarHBondContact OG1-O 3.12Å; T645-K647 VanDerWaalsContact C-N 3.29Å; T645-K647 PolarHBondContact O-N 3.34Å; K647-S649 PolarHBondContact O-N 3.39Å
648L83.2Confident83.9Confident34 Ų3454.6 Ų54.618%0.17828%0.281CS..BIsolated β-bridgetrans-64.2126.7174.4-175.472.4000111.8F554 F635 L642 R650 A653F554-L648 HydrophobicContact CB-CD2 3.88Å; F554-L648 HydrophobicContact CD2-CD2 3.57Å; F554-L648 HydrophobicContact CE2-CD2 4.49Å; F554-L648 HydrophobicContact CG-CD2 4.03Å; F635-L648 HydrophobicContact CD2-CD1 3.65Å; F635-L648 HydrophobicContact CE2-CD1 4.03Å; F635-L648 HydrophobicContact CG-CD1 4.28Å; L642-L648 HydrophobicContact CD2-CB 4.49Å; L642-L648 HydrophobicContact CD2-CD1 4.35Å; L648-R650 VanDerWaalsContact C-N 3.31Å; L648-R650 HydrophobicContact CD2-CG 4.05Å; L648-R650 HydrophobicContact CG-CG 4.41Å; L648-R650 PolarHBondContact O-N 3.2Å; L648-R650 VanDerWaalsContact O-N 3.08Å; L648-A653 HydrophobicContact CD1-CB 4.3Å
649S83.3Confident84.5Confident9 Ų955.8 Ų55.86%0.06328%0.278CS..  trans-8172.7172.2-62.70000110.1G640 L641 K647 N651 K652 A653G640-S649 WeakPolarHBondContact O-CB 3.36Å; G640-S649 PolarHBondContact O-OG 3.06Å; L641-S649 WeakPolarHBondContact O-CB 3.47Å; L641-S649 PolarHBondContact O-N 3.16Å; K647-S649 PolarHBondContact O-N 3.39Å; S649-N651 VanDerWaalsContact C-N 3.34Å; S649-N651 PolarHBondContact O-N 3.06Å; S649-N651 VanDerWaalsContact O-N 3.14Å; S649-K652 WeakPolarHBondContact O-CA 3.33Å; S649-K652 WeakPolarHBondContact O-CB 3.42Å; S649-K652 PolarHBondContact O-N 2.97Å; S649-A653 PolarHBondContact O-N 3.26Å
650R87Confident84.8Confident27 Ų2754.9 Ų54.910%0.10228%0.275CS..Hα-helixtrans-45.9-46.8-172.1-80.7-177.2152.974.912.5115.7S525 E538 E541 F554 L648 A653 R654S525-R650 WeakPolarHBondContact OG-CD 3.26Å; E538-R650 VanDerWaalsContact CG-CZ 3.42Å; E538-R650 IonicContact OE1-CZ 3.78Å; E538-R650 IonicContact OE1-NH1 3.14Å; E538-R650 PolarHBondContact OE1-NH1 3.29Å; E541-R650 IonicContact OE1-CZ 2.69Å; E541-R650 IonicContact OE1-NH2 2.69Å; E541-R650 PolarHBondContact OE1-NH2 3.18Å; E541-R650 IonicContact OE2-CZ 3.12Å; E541-R650 IonicContact OE2-NH1 2.75Å; E541-R650 IonicContact OE2-NH2 2.76Å; E541-R650 PolarHBondContact OE2-NH2 3.48Å; F554-R650 HydrophobicContact CE2-CG 4.27Å; L648-R650 VanDerWaalsContact C-N 3.31Å; L648-R650 HydrophobicContact CD2-CG 4.05Å; L648-R650 HydrophobicContact CG-CG 4.41Å; L648-R650 PolarHBondContact O-N 3.2Å; L648-R650 VanDerWaalsContact O-N 3.08Å; R650-A653 PolarHBondContact O-N 2.87Å; R650-R654 WeakPolarHBondContact O-CB 3.36Å; R650-R654 PolarHBondContact O-N 3.37Å
651N80.7Confident85.4Confident43 Ų4354.6 Ų54.623%0.2327%0.269CS..Hα-helixtrans-65.8-41-180-70.9-12.3000112T247 S649 R654 N655T247-N651 HydrophobicContact CG2-CB 4.26Å; T247-N651 WeakPolarHBondContact CG2-ND2 3.38Å; S649-N651 VanDerWaalsContact C-N 3.34Å; S649-N651 PolarHBondContact O-N 3.06Å; S649-N651 VanDerWaalsContact O-N 3.14Å; N651-R654 PolarHBondContact O-N 3.14Å; N651-N655 WeakPolarHBondContact O-CB 2.94Å; N651-N655 PolarHBondContact O-N 2.88Å; N651-N655 PolarHBondContact O-ND2 2.94Å
652K86.2Confident85.5Confident109 Ų10957 Ų5747%0.47429%0.289SS..Hα-helixtrans-64.3-43174-66.9-174174.1-173.50110.6G640 S649 N655 Y656G640-K652 VanDerWaalsContact O-CD 3.23Å; G640-K652 WeakPolarHBondContact O-CD 3.29Å; S649-K652 WeakPolarHBondContact O-CA 3.33Å; S649-K652 WeakPolarHBondContact O-CB 3.42Å; S649-K652 PolarHBondContact O-N 2.97Å; K652-N655 PolarHBondContact O-N 3.47Å; K652-Y656 WeakPolarHBondContact O-CB 3.31Å; K652-Y656 PolarHBondContact O-N 3.15Å
653A91.9Very high85.9Confident0 Ų058.6 Ų58.60%030%0.302CS..Hα-helixtrans-62.3-45175.700000112.5F554 L641 L648 S649 R650 N655 Y656 F657F554-A653 HydrophobicContact CD1-CB 3.79Å; F554-A653 HydrophobicContact CD2-CB 4.38Å; F554-A653 HydrophobicContact CE1-CB 3.8Å; F554-A653 HydrophobicContact CE2-CB 4.4Å; F554-A653 HydrophobicContact CG-CB 4.09Å; F554-A653 HydrophobicContact CZ-CB 4.13Å; L641-A653 HydrophobicContact CD2-CB 4.13Å; L648-A653 HydrophobicContact CD1-CB 4.3Å; S649-A653 PolarHBondContact O-N 3.26Å; R650-A653 PolarHBondContact O-N 2.87Å; A653-N655 VanDerWaalsContact C-N 3.34Å; A653-N655 PolarHBondContact O-N 3.47Å; A653-Y656 PolarHBondContact O-N 3.09Å; A653-F657 HydrophobicContact CB-CD2 4.5Å; A653-F657 WeakPolarHBondContact O-CB 3.3Å; A653-F657 VanDerWaalsContact O-CD2 3.28Å; A653-F657 WeakPolarHBondContact O-CD2 3.48Å; A653-F657 PolarHBondContact O-N 3.26Å
654R90.8Very high86.8Confident80 Ų8058 Ų5830%0.30230%0.298SS..Hα-helixtrans-58.4-45.5174.5-176.8177.3-74.3159.7-0.6111.5F554 D556 R650 N651 S658F554-R654 HydrophobicContact CE1-CB 4.44Å; F554-R654 HydrophobicContact CZ-CB 3.96Å; D556-R654 IonicContact OD1-CZ 3.77Å; D556-R654 IonicContact OD1-NE 3.56Å; D556-R654 PolarHBondContact OD1-NE 2.87Å; D556-R654 IonicContact OD1-NH2 2.74Å; D556-R654 PolarHBondContact OD1-NH2 2.92Å; D556-R654 IonicContact OD2-NE 2.6Å; R650-R654 WeakPolarHBondContact O-CB 3.36Å; R650-R654 PolarHBondContact O-N 3.37Å; N651-R654 PolarHBondContact O-N 3.14Å; R654-S658 WeakPolarHBondContact O-CA 3.48Å; R654-S658 WeakPolarHBondContact O-CB 3.16Å; R654-S658 PolarHBondContact O-N 3.4Å
655N89.6Confident87.8Confident117 Ų11755.6 Ų55.663%0.62628%0.281SS*.Hα-helixtrans-66.2-46.7178.7-71.2-11.2000111.4N651 K652 A653 F657 S658N651-N655 WeakPolarHBondContact O-CB 2.94Å; N651-N655 PolarHBondContact O-N 2.88Å; N651-N655 PolarHBondContact O-ND2 2.94Å; K652-N655 PolarHBondContact O-N 3.47Å; A653-N655 VanDerWaalsContact C-N 3.34Å; A653-N655 PolarHBondContact O-N 3.47Å; N655-F657 PolarHBondContact O-N 2.9Å; N655-S658 VanDerWaalsContact O-CB 3.32Å; N655-S658 WeakPolarHBondContact O-CB 3.4Å; N655-S658 PolarHBondContact O-N 3.22Å; N655-S658 PolarHBondContact O-OG 3.32Å
656Y94.1Very high88.8Confident122 Ų12256.2 Ų56.248%0.47829%0.285SS..Hα-helixtrans-59.9-46.4179.2-172.4-98.5000111.9E633 L641 K652 A653E633-Y656 PolarHBondContact OE1-OH 3.26Å; E633-Y656 WeakPolarHBondContact OE2-CE1 3.29Å; E633-Y656 PolarHBondContact OE2-OH 2.78Å; L641-Y656 HydrophobicContact CD1-CD1 4.27Å; L641-Y656 HydrophobicContact CD1-CE1 4.45Å; L641-Y656 HydrophobicContact CD2-CD1 4.31Å; L641-Y656 HydrophobicContact CD2-CG 4.13Å; K652-Y656 WeakPolarHBondContact O-CB 3.31Å; K652-Y656 PolarHBondContact O-N 3.15Å; A653-Y656 PolarHBondContact O-N 3.09Å
657F95.7Very high89.3Confident7 Ų758.1 Ų58.13%0.03129%0.293CS..THydrogen-bonded Turntrans-93.313.2180-64.3-66.3000114.2F554 V567 Y629 F635 L641 A653 N655 K659 T660 I661F554-F657 HydrophobicContact CD1-CD2 4.2Å; V567-F657 HydrophobicContact CB-CD2 4.46Å; V567-F657 HydrophobicContact CG1-CD1 4.2Å; V567-F657 HydrophobicContact CG1-CD2 4.24Å; V567-F657 HydrophobicContact CG1-CE1 3.96Å; V567-F657 HydrophobicContact CG1-CE2 4Å; V567-F657 HydrophobicContact CG1-CG 4.35Å; V567-F657 HydrophobicContact CG1-CZ 3.87Å; V567-F657 HydrophobicContact CG2-CB 4Å; V567-F657 HydrophobicContact CG2-CD1 4.15Å; V567-F657 HydrophobicContact CG2-CD2 4.12Å; V567-F657 HydrophobicContact CG2-CG 3.83Å; Y629-F657 HydrophobicContact CE1-CE1 4.5Å; F635-F657 HydrophobicContact CD1-CE2 4.33Å; F635-F657 HydrophobicContact CD1-CZ 4.48Å; F635-F657 AromaticContact CE1-CE2 3.6Å; F635-F657 HydrophobicContact CE1-CE2 3.6Å; F635-F657 AromaticContact CE1-CZ 3.77Å; F635-F657 HydrophobicContact CE1-CZ 3.77Å; F635-F657 HydrophobicContact CZ-CE2 4.26Å; L641-F657 HydrophobicContact CD1-CE2 4.01Å; L641-F657 HydrophobicContact CD1-CZ 4.22Å; A653-F657 HydrophobicContact CB-CD2 4.5Å; A653-F657 WeakPolarHBondContact O-CB 3.3Å; A653-F657 VanDerWaalsContact O-CD2 3.28Å; A653-F657 WeakPolarHBondContact O-CD2 3.48Å; A653-F657 PolarHBondContact O-N 3.26Å; N655-F657 PolarHBondContact O-N 2.9Å; F657-K659 PolarHBondContact O-N 2.96Å; F657-T660 WeakPolarHBondContact O-CA 3.45Å; F657-T660 WeakPolarHBondContact O-CB 3.27Å; F657-T660 PolarHBondContact O-N 3.33Å; F657-I661 HydrophobicContact CB-CD1 3.95Å; F657-I661 HydrophobicContact CB-CG1 4.26Å; F657-I661 WeakPolarHBondContact O-CG1 3.46Å; F657-I661 PolarHBondContact O-N 2.94Å
658S93.5Very high89.6Confident61 Ų6156.4 Ų56.443%0.42729%0.286SS..Hα-helixtrans-53.9-48.2-171.952.90000113.6R654 N655 I661 A662R654-S658 WeakPolarHBondContact O-CA 3.48Å; R654-S658 WeakPolarHBondContact O-CB 3.16Å; R654-S658 PolarHBondContact O-N 3.4Å; N655-S658 VanDerWaalsContact O-CB 3.32Å; N655-S658 WeakPolarHBondContact O-CB 3.4Å; N655-S658 PolarHBondContact O-N 3.22Å; N655-S658 PolarHBondContact O-OG 3.32Å; S658-I661 PolarHBondContact O-N 3.49Å; S658-A662 PolarHBondContact O-N 2.86Å
659K94.9Very high89.2Confident182 Ų18258.5 Ų58.579%0.79130%0.295SS*.Hα-helixtrans-63.8-40.9176.6-66.8-176.6-179178.30112.1F657 A662 S663F657-K659 PolarHBondContact O-N 2.96Å; K659-A662 PolarHBondContact O-N 2.84Å; K659-S663 PolarHBondContact O-N 2.94Å
660T95.9Very high88.7Confident33 Ų3363.2 Ų63.220%0.20232%0.319CS..Hα-helixtrans-63.4-47.5178.3-56.90000111.1Y629 F657 A662 S663 L664Y629-T660 HydrophobicContact CD1-CG2 3.45Å; Y629-T660 VanDerWaalsContact CD1-CG2 3.45Å; Y629-T660 HydrophobicContact CD2-CG2 3.59Å; Y629-T660 HydrophobicContact CE1-CG2 3.95Å; Y629-T660 HydrophobicContact CE2-CG2 4.1Å; Y629-T660 HydrophobicContact CG-CG2 3.23Å; F657-T660 WeakPolarHBondContact O-CA 3.45Å; F657-T660 WeakPolarHBondContact O-CB 3.27Å; F657-T660 PolarHBondContact O-N 3.33Å; T660-A662 PolarHBondContact O-N 2.92Å; T660-S663 WeakPolarHBondContact O-CB 3.43Å; T660-S663 PolarHBondContact O-N 3.4Å; T660-S663 VanDerWaalsContact O-N 3.15Å; T660-L664 WeakPolarHBondContact O-CG 3.17Å; T660-L664 PolarHBondContact O-N 3.34Å
661I94.7Very high87.9Confident11 Ų1167.2 Ų67.26%0.05634%0.343CS..Hα-helixtrans-61.5-45178.6-69.8161.6000110.6F554 D556 V565 F657 S658 S663 L664 Y665F554-I661 HydrophobicContact CE1-CD1 3.83Å; D556-I661 HydrophobicContact CB-CD1 3.91Å; D556-I661 HydrophobicContact CB-CG1 4.41Å; D556-I661 HydrophobicContact CB-CG2 4.44Å; V565-I661 HydrophobicContact CG2-CG2 4.03Å; F657-I661 HydrophobicContact CB-CD1 3.95Å; F657-I661 HydrophobicContact CB-CG1 4.26Å; F657-I661 WeakPolarHBondContact O-CG1 3.46Å; F657-I661 PolarHBondContact O-N 2.94Å; S658-I661 PolarHBondContact O-N 3.49Å; I661-S663 VanDerWaalsContact C-N 3.3Å; I661-S663 PolarHBondContact O-N 3.2Å; I661-L664 PolarHBondContact O-N 3.17Å; I661-Y665 HydrophobicContact CG2-CD2 4.13Å; I661-Y665 HydrophobicContact CG2-CE2 3.86Å; I661-Y665 VanDerWaalsContact O-CD2 3.31Å; I661-Y665 WeakPolarHBondContact O-CD2 3.41Å; I661-Y665 PolarHBondContact O-N 3.34Å
662A91.1Very high87Confident53 Ų5368.2 Ų68.244%0.43835%0.353SS..Hα-helixtrans-58.1-43.1174.700000111.7S658 K659 T660 L664 Y665 T666S658-A662 PolarHBondContact O-N 2.86Å; K659-A662 PolarHBondContact O-N 2.84Å; T660-A662 PolarHBondContact O-N 2.92Å; A662-L664 PolarHBondContact O-N 2.88Å; A662-Y665 PolarHBondContact O-N 2.99Å; A662-T666 PolarHBondContact O-N 3.33Å; A662-T666 VanDerWaalsContact O-N 3.15Å; A662-T666 PolarHBondContact O-OG1 3.07Å
663S93.5Very high85.2Confident50 Ų5067.4 Ų67.435%0.3536%0.361SS..Hα-helixtrans-63.1-39.6176.2-173.10000113K659 T660 I661 Y665 T666 Q667K659-S663 PolarHBondContact O-N 2.94Å; T660-S663 WeakPolarHBondContact O-CB 3.43Å; T660-S663 PolarHBondContact O-N 3.4Å; T660-S663 VanDerWaalsContact O-N 3.15Å; I661-S663 VanDerWaalsContact C-N 3.3Å; I661-S663 PolarHBondContact O-N 3.2Å; S663-Y665 VanDerWaalsContact C-N 3.28Å; S663-Y665 PolarHBondContact O-N 3.36Å; S663-T666 PolarHBondContact O-N 2.84Å; S663-Q667 WeakPolarHBondContact O-CB 3.4Å; S663-Q667 VanDerWaalsContact O-CG 3.31Å; S663-Q667 WeakPolarHBondContact O-CG 3.49Å; S663-Q667 PolarHBondContact O-N 2.92Å; S663-Q667 PolarHBondContact OG-NE2 3.05Å
664L94.9Very high82.8Confident10 Ų1071.8 Ų71.85%0.05239%0.392CS..Hα-helixtrans-60.1-40.4178-71.3177.2000111.7V565 A627 I628 T660 I661 A662 H668V565-L664 HydrophobicContact CB-CB 4.27Å; V565-L664 HydrophobicContact CB-CD1 3.97Å; V565-L664 HydrophobicContact CG1-CB 4.13Å; V565-L664 HydrophobicContact CG2-CB 4.48Å; V565-L664 HydrophobicContact CG2-CD1 4.16Å; A627-L664 HydrophobicContact CB-CB 4.18Å; A627-L664 HydrophobicContact CB-CD2 4.25Å; I628-L664 VanDerWaalsContact C-CD2 3.45Å; I628-L664 WeakPolarHBondContact O-CD2 3.41Å; T660-L664 WeakPolarHBondContact O-CG 3.17Å; T660-L664 PolarHBondContact O-N 3.34Å; I661-L664 PolarHBondContact O-N 3.17Å; A662-L664 PolarHBondContact O-N 2.88Å; L664-H668 WeakPolarHBondContact O-CB 3.32Å; L664-H668 PolarHBondContact O-N 3.26Å
665Y88.5Confident80.3Confident7 Ų776 Ų763%0.02743%0.427CS..Hα-helixtrans-66.6-49.9175.9-76.6-61.2000112.2G557 N558 K561 Y563 V565 I661 A662 S663 Q667 H668 E669G557-Y665 VanDerWaalsContact CA-OH 3.28Å; G557-Y665 WeakPolarHBondContact CA-OH 3.31Å; N558-Y665 HydrophobicContact CB-CE2 3.94Å; N558-Y665 PolarHBondContact N-OH 2.89Å; K561-Y665 HydrophobicContact CB-CD1 3.79Å; K561-Y665 HydrophobicContact CB-CE1 3.4Å; K561-Y665 VanDerWaalsContact CB-CE1 3.4Å; K561-Y665 HydrophobicContact CD-CD1 3.65Å; K561-Y665 HydrophobicContact CD-CE1 4.21Å; K561-Y665 HydrophobicContact CD-CG 4.06Å; K561-Y665 HydrophobicContact CG-CD1 3.39Å; K561-Y665 HydrophobicContact CG-CD2 4.35Å; K561-Y665 HydrophobicContact CG-CE1 3.47Å; K561-Y665 VanDerWaalsContact CG-CE1 3.47Å; K561-Y665 HydrophobicContact CG-CE2 4.4Å; K561-Y665 HydrophobicContact CG-CG 3.86Å; Y563-Y665 HydrophobicContact CD2-CD1 4.39Å; Y563-Y665 AromaticContact CD2-CE1 3.92Å; Y563-Y665 HydrophobicContact CD2-CE1 3.92Å; Y563-Y665 AromaticContact CE2-CD1 3.6Å; Y563-Y665 HydrophobicContact CE2-CD1 3.6Å; Y563-Y665 AromaticContact CE2-CE1 3.59Å; Y563-Y665 HydrophobicContact CE2-CE1 3.59Å; Y563-Y665 WeakPolarHBondContact O-CE1 3.47Å; Y563-Y665 PolarHBondContact O-OH 3.03Å; V565-Y665 HydrophobicContact CG1-CD1 3.98Å; V565-Y665 HydrophobicContact CG1-CE1 3.6Å; V565-Y665 HydrophobicContact CG1-CE2 4.26Å; V565-Y665 HydrophobicContact CG1-CG 4.45Å; V565-Y665 HydrophobicContact CG2-CD2 4.43Å; V565-Y665 HydrophobicContact CG2-CE1 4.5Å; V565-Y665 HydrophobicContact CG2-CE2 3.76Å; I661-Y665 HydrophobicContact CG2-CD2 4.13Å; I661-Y665 HydrophobicContact CG2-CE2 3.86Å; I661-Y665 VanDerWaalsContact O-CD2 3.31Å; I661-Y665 WeakPolarHBondContact O-CD2 3.41Å; I661-Y665 PolarHBondContact O-N 3.34Å; A662-Y665 PolarHBondContact O-N 2.99Å; S663-Y665 VanDerWaalsContact C-N 3.28Å; S663-Y665 PolarHBondContact O-N 3.36Å; Y665-Q667 PolarHBondContact O-N 3.34Å; Y665-H668 PolarHBondContact O-N 2.96Å; Y665-E669 WeakPolarHBondContact O-CG 3.25Å; Y665-E669 PolarHBondContact O-N 2.9Å
666T86Confident79.8Confident79 Ų7974 Ų7449%0.48542%0.417SS..Hα-helixtrans-61.3-44.5-179.6-54.40000112.3A662 S663 E669 L670A662-T666 PolarHBondContact O-N 3.33Å; A662-T666 VanDerWaalsContact O-N 3.15Å; A662-T666 PolarHBondContact O-OG1 3.07Å; S663-T666 PolarHBondContact O-N 2.84Å; T666-E669 PolarHBondContact O-N 3.07Å; T666-L670 HydrophobicContact CG2-CD1 4.27Å; T666-L670 WeakPolarHBondContact O-CG 3.23Å; T666-L670 PolarHBondContact O-N 2.9Å; T666-L670 VanDerWaalsContact O-N 3.14Å
667Q84.8Confident79.1Confident105 Ų10571.5 Ų71.549%0.49141%0.414SS..Hα-helixtrans-66.8-39.7-179.3-73.6176.3-1200112.5S663 Y665 E669 L670 N671S663-Q667 WeakPolarHBondContact O-CB 3.4Å; S663-Q667 VanDerWaalsContact O-CG 3.31Å; S663-Q667 WeakPolarHBondContact O-CG 3.49Å; S663-Q667 PolarHBondContact O-N 2.92Å; S663-Q667 PolarHBondContact OG-NE2 3.05Å; Y665-Q667 PolarHBondContact O-N 3.34Å; Q667-E669 VanDerWaalsContact C-N 3.33Å; Q667-E669 PolarHBondContact O-N 3.03Å; Q667-L670 PolarHBondContact O-N 2.59Å; Q667-N671 WeakPolarHBondContact O-CB 3.17Å; Q667-N671 VanDerWaalsContact O-CG 3.31Å; Q667-N671 PolarHBondContact O-N 3.08Å
668H81.1Confident78.1Confident45 Ų4575.1 Ų75.121%0.20844%0.435CS..Hα-helixtrans-65-38.6177.9-172.183.8000111.9Y563 Q626 A627 L664 Y665 N671 S672Y563-H668 AromaticContact CE1-CD2 3.64Å; Y563-H668 HydrophobicContact CE2-CB 4.5Å; Y563-H668 AromaticContact CE2-CD2 3.99Å; Y563-H668 AromaticContact CZ-CD2 3.31Å; Y563-H668 AromaticContact CZ-CG 3.91Å; Y563-H668 PolarHBondContact OH-CD2 2.79Å; Q626-H668 PolarHBondContact O-CE1 3.24Å; Q626-H668 PolarHBondContact O-ND1 3.25Å; Q626-H668 VanDerWaalsContact O-ND1 3.16Å; A627-H668 HydrophobicContact CB-CB 4.18Å; L664-H668 WeakPolarHBondContact O-CB 3.32Å; L664-H668 PolarHBondContact O-N 3.26Å; Y665-H668 PolarHBondContact O-N 2.96Å; H668-N671 PolarHBondContact O-N 3.31Å; H668-S672 WeakPolarHBondContact O-CB 3.27Å; H668-S672 PolarHBondContact O-N 3.36Å; H668-S672 PolarHBondContact O-OG 3.08Å; H668-S672 VanDerWaalsContact O-OG 3.14Å
669E74.8Confident77.2Confident79 Ų7975.9 Ų75.937%0.36944%0.435SS..Hα-helixtrans-67.1-36.3176.6-71.9175.2154.200112.8K561 Y665 T666 Q667 S672 S673K561-E669 WeakPolarHBondContact CD-OE1 3.29Å; K561-E669 IonicContact NZ-OE1 3.47Å; K561-E669 PolarHBondContact NZ-OE1 3.39Å; K561-E669 IonicContact NZ-OE2 2.74Å; K561-E669 PolarHBondContact NZ-OE2 2.87Å; Y665-E669 WeakPolarHBondContact O-CG 3.25Å; Y665-E669 PolarHBondContact O-N 2.9Å; T666-E669 PolarHBondContact O-N 3.07Å; Q667-E669 VanDerWaalsContact C-N 3.33Å; Q667-E669 PolarHBondContact O-N 3.03Å; E669-S672 WeakPolarHBondContact CA-OG 3.11Å; E669-S672 PolarHBondContact O-OG 3.4Å; E669-S673 WeakPolarHBondContact O-CB 3.48Å; E669-S673 PolarHBondContact O-N 2.89Å; E669-S673 PolarHBondContact O-OG 3.32Å
670L72.4Confident76.1Confident108 Ų10869.3 Ų69.357%0.56541%0.413SS*.Hα-helixtrans-66.8-38.4173.3-70.2169.5000112T666 Q667 S673 S674T666-L670 HydrophobicContact CG2-CD1 4.27Å; T666-L670 WeakPolarHBondContact O-CG 3.23Å; T666-L670 PolarHBondContact O-N 2.9Å; T666-L670 VanDerWaalsContact O-N 3.14Å; Q667-L670 PolarHBondContact O-N 2.59Å; L670-S673 PolarHBondContact O-OG 2.98Å; L670-S674 PolarHBondContact O-N 3.5Å; L670-S674 PolarHBondContact O-OG 3.23Å
671N71.4Confident74.8Confident111 Ų11171.7 Ų71.759%0.59443%0.427SS*.Hα-helixtrans-75.2-29.5179.2-71.4-13.4000112.9Q667 H668 S674Q667-N671 WeakPolarHBondContact O-CB 3.17Å; Q667-N671 VanDerWaalsContact O-CG 3.31Å; Q667-N671 PolarHBondContact O-N 3.08Å; H668-N671 PolarHBondContact O-N 3.31Å; N671-S674 WeakPolarHBondContact CA-OG 3.4Å; N671-S674 PolarHBondContact O-OG 3.12Å
672S61.3Low73.4Confident63 Ų6376 Ų7644%0.44145%0.454SS..Hα-helixtrans-82.4-20.4177.663.10000113.7H668 E669 T675H668-S672 WeakPolarHBondContact O-CB 3.27Å; H668-S672 PolarHBondContact O-N 3.36Å; H668-S672 PolarHBondContact O-OG 3.08Å; H668-S672 VanDerWaalsContact O-OG 3.14Å; E669-S672 WeakPolarHBondContact CA-OG 3.11Å; E669-S672 PolarHBondContact O-OG 3.4Å; S672-T675 PolarHBondContact O-OG1 3.36Å
673S47.5Very low72Confident92 Ų9277.8 Ų77.864%0.64346%0.455SS*.Hα-helixtrans-87.4-11.7174.746.10000113.9E669 L670E669-S673 WeakPolarHBondContact O-CB 3.48Å; E669-S673 PolarHBondContact O-N 2.89Å; E669-S673 PolarHBondContact O-OG 3.32Å; L670-S673 PolarHBondContact O-OG 2.98Å
674S41.6Very low70.3Confident93 Ų9380.1 Ų80.165%0.6546%0.464SS*.  trans-98.2-3.5178.7420000114.3L670 N671L670-S674 PolarHBondContact O-N 3.5Å; L670-S674 PolarHBondContact O-OG 3.23Å; N671-S674 WeakPolarHBondContact CA-OG 3.4Å; N671-S674 PolarHBondContact O-OG 3.12Å
675T38.7Very low68Low169 Ų16986.5 Ų86.5100%1.03750%0.501SS*.  trans-107.60170.153.80000110.5S672S672-T675 PolarHBondContact O-OG1 3.36Å

Retrieved 675 of 675 residues in 1220.4 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).