A0A077ZAG1_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.6Very low60.7Low240 Ų240107.4 Ų107.4100%1.18253%0.525SS*.  096.20-156.5-175.7-64.500105.1D3M1-D3 PolarHBondContact O-N 2.91Å
2L40.3Very low63.4Low113 Ų113105.3 Ų105.359%0.59252%0.519SS*.  trans-60.8126.4176.2-91.7132.3000107.1I4 M302L2-I4 PolarHBondContact O-N 3.29Å; L2-M302 HydrophobicContact CD2-CE 4.02Å; L2-M302 HydrophobicContact CD2-SD 4.48Å
3D40.9Very low65.8Low92 Ų9299.8 Ų99.849%0.49250%0.495SS..  trans-65.2102-177.5-146.2-19000107.8M1 R5 L6M1-D3 PolarHBondContact O-N 2.91Å; D3-R5 PolarHBondContact O-N 3.13Å; D3-L6 PolarHBondContact O-N 3.12Å; D3-L6 VanDerWaalsContact O-N 3.09Å
4I45.6Very low68Low150 Ų15093.6 Ų93.677%0.76947%0.465SS*.G310 helixtrans-54.5-14.8-177.8-66.7167000111.5L2 L6L2-I4 PolarHBondContact O-N 3.29Å; I4-L6 PolarHBondContact O-N 2.64Å
5R46.9Very low69.9Low209 Ų20991.7 Ų91.779%0.78946%0.46SS*.G310 helixtrans-69.4-9.1176.7-62.1-174.3-177.9-164.22.2115D3 N344D3-R5 PolarHBondContact O-N 3.13Å; R5-N344 PolarHBondContact O-ND2 2.8Å
6L55.2Low71.6Confident32 Ų3286.7 Ų86.717%0.16844%0.438CS..G310 helixtrans-90.9-9.6-176.2-83.5158.8000115.7D3 I4 S8 M302 N344D3-L6 PolarHBondContact O-N 3.12Å; D3-L6 VanDerWaalsContact O-N 3.09Å; I4-L6 PolarHBondContact O-N 2.64Å; L6-S8 PolarHBondContact O-N 3.08Å; L6-M302 HydrophobicContact CB-CE 3.6Å; L6-M302 HydrophobicContact CD1-CE 3.85Å; L6-M302 HydrophobicContact CG-CE 4.32Å; L6-N344 VanDerWaalsContact CA-ND2 3.34Å; L6-N344 WeakPolarHBondContact CA-ND2 3.34Å; L6-N344 HydrophobicContact CD2-CB 3.86Å; L6-N344 PolarHBondContact O-ND2 2.88Å
7E59.1Low73.1Confident128 Ų12887.4 Ų87.460%0.59845%0.448SS*.BIsolated β-bridgetrans-67.999.9-177.9-70.8-167.8159.700111.2
8S76.8Confident74.5Confident13 Ų1383.2 Ų83.29%0.09143%0.426CS..  trans-114.7104.1174.366.80000107.5L6 C301 M302L6-S8 PolarHBondContact O-N 3.08Å; S8-C301 PolarHBondContact O-SG 3.22Å; S8-C301 WeakPolarHBondContact OG-CA 3.42Å; S8-C301 WeakPolarHBondContact OG-CB 3.16Å; S8-C301 PolarHBondContact OG-SG 3.01Å; S8-M302 PolarHBondContact N-O 2.74Å
9V86.3Confident75.7Confident87 Ų8781.7 Ų81.753%0.52742%0.423SS..PPolyproline II helixtrans-79132.1-171.1-178.60000111.2V305V9-V305 HydrophobicContact CG1-CG2 3.71Å; V9-V305 HydrophobicContact CG2-CG2 4.35Å
10C91.3Very high76.8Confident12 Ų1280.4 Ų80.48%0.08141%0.413CS..PPolyproline II helixtrans-70.1143.1173.1-54.50000110.5D303 L337 R338C10-D303 WeakPolarHBondContact CA-OD2 3.24Å; C10-D303 WeakPolarHBondContact CB-OD2 3.49Å; C10-D303 PolarHBondContact N-OD2 2.87Å; C10-D303 PolarHBondContact SG-OD2 3.48Å; C10-L337 HydrophobicContact CB-CB 4.13Å; C10-L337 HydrophobicContact CB-CD1 4.38Å; C10-R338 CarbonylContact C-O 3.57Å; C10-R338 WeakPolarHBondContact CA-O 3.37Å
11E93.5Very high77.8Confident105 Ų10579 Ų7949%0.49140%0.403SS..EExtended strand (participates in β ladder)trans-79.3126.8169.9177.6-163.1167.400109.1V13 L337 R338E11-V13 PolarHBondContact O-N 2.94Å; E11-L337 CarbonylContact O-C 3.6Å; E11-L337 VanDerWaalsContact O-CA 3.3Å; E11-L337 WeakPolarHBondContact O-CA 3.48Å; E11-R338 HydrophobicContact CB-CB 4.22Å; E11-R338 VanDerWaalsContact CD-NH1 3.26Å; E11-R338 PolarHBondContact N-O 3.41Å; E11-R338 PolarHBondContact O-N 3.17Å; E11-R338 IonicContact OE1-NH1 3.49Å; E11-R338 PolarHBondContact OE1-NH1 3.12Å; E11-R338 VanDerWaalsContact OE1-NH1 3.12Å; E11-R338 IonicContact OE2-CZ 2.68Å; E11-R338 IonicContact OE2-NH1 2.97Å; E11-R338 PolarHBondContact OE2-NH1 3.16Å
12N93.4Very high81Confident83 Ų8367.6 Ų67.644%0.44435%0.347SS..EExtended strand (participates in β ladder)trans-80111.4171.9-171.7-26.9000109.7S14 H335 L337N12-S14 PolarHBondContact OD1-N 3.27Å; N12-S14 PolarHBondContact OD1-O 2.9Å; N12-H335 PolarHBondContact ND2-ND1 3.39Å; N12-H335 VanDerWaalsContact ND2-ND1 3.2Å; N12-L337 HydrophobicContact CB-CD2 4.01Å
13V94.7Very high83.6Confident34 Ų3462.8 Ų62.821%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-89.2-41.5-175.5179.10000111.1E11 Y61 L336 R338E11-V13 PolarHBondContact O-N 2.94Å; V13-Y61 WeakPolarHBondContact CG1-OH 3.25Å; V13-L336 HydrophobicContact CB-CB 4.5Å; V13-L336 HydrophobicContact CB-CD2 4.2Å; V13-L336 HydrophobicContact CB-CG 4.08Å; V13-L336 WeakPolarHBondContact CB-O 3.04Å; V13-L336 HydrophobicContact CG1-CD2 3.9Å; V13-L336 HydrophobicContact CG1-CG 4.33Å; V13-L336 PolarHBondContact N-O 2.75Å; V13-R338 HydrophobicContact CG2-CB 3.89Å
14S96.3Very high86.3Confident12 Ų1258.9 Ų58.98%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-160.4158.6-178.6-157.60000110.8N12 K65 T66 L67 L336N12-S14 PolarHBondContact OD1-N 3.27Å; N12-S14 PolarHBondContact OD1-O 2.9Å; S14-K65 PolarHBondContact OG-O 3.49Å; S14-T66 VanDerWaalsContact OG-CA 3.27Å; S14-T66 WeakPolarHBondContact OG-CA 2.8Å; S14-L67 PolarHBondContact OG-N 3.36Å; S14-L336 PolarHBondContact N-O 2.92Å; S14-L336 PolarHBondContact O-N 2.96Å
15V96.5Very high88.8Confident65 Ų6551.8 Ų51.839%0.39427%0.265SS..EExtended strand (participates in β ladder)trans-143.8139.5-179.368.50000110.4K333 V334V15-K333 HydrophobicContact CG2-CB 3.89Å; V15-K333 HydrophobicContact CG2-CD 3.66Å; V15-K333 HydrophobicContact CG2-CG 4.16Å; V15-V334 WeakPolarHBondContact CA-O 3.35Å
16A97Very high91.2Very high12 Ų1242.7 Ų42.710%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-118.8137.3169.100000109.4L59 L67 K333 V334A16-L59 HydrophobicContact CB-CD1 4.14Å; A16-L67 HydrophobicContact CB-CB 3.74Å; A16-L67 HydrophobicContact CB-CD1 4.34Å; A16-K333 VanDerWaalsContact O-CA 3.27Å; A16-K333 WeakPolarHBondContact O-CA 3.49Å; A16-V334 PolarHBondContact N-O 2.86Å; A16-V334 PolarHBondContact O-N 2.97Å
17T97.5Very high93.2Very high99 Ų9942.1 Ų42.161%0.60723%0.229SC*.EExtended strand (participates in β ladder)trans-99.2132171.3-55.10000108.8
18L97.8Very high94.8Very high11 Ų1138.3 Ų38.36%0.05821%0.211CC..  trans-109.5157.4-178.4-69-177.2000111.5Y20 V22 C40 M42 C57 L59 R332 V334L18-Y20 VanDerWaalsContact C-N 3.28Å; L18-Y20 PolarHBondContact O-N 3.34Å; L18-V22 HydrophobicContact CB-CG2 4.16Å; L18-V22 HydrophobicContact CD1-CG2 3.58Å; L18-V22 HydrophobicContact CG-CG2 4.36Å; L18-C40 HydrophobicContact CD1-CB 4.14Å; L18-M42 HydrophobicContact CB-SD 4.09Å; L18-M42 HydrophobicContact CD1-SD 4.13Å; L18-C57 WeakPolarHBondContact CD1-SG 3.41Å; L18-L59 HydrophobicContact CD2-CD2 4.18Å; L18-R332 PolarHBondContact N-O 2.82Å; L18-R332 WeakPolarHBondContact O-CB 3.32Å; L18-V334 HydrophobicContact CD1-CG2 3.87Å
19P97.2Very high95.2Very high56 Ų5642.4 Ų42.436%0.36423%0.229SC..SBendtrans-68.2-27.1-175.423-31.2000113.7Y74 R332P19-Y74 HydrophobicContact CG-CE1 3.54Å; P19-Y74 HydrophobicContact CG-CE2 4.33Å; P19-Y74 VanDerWaalsContact CG-CZ 3.46Å; P19-Y74 VanDerWaalsContact CG-OH 3.24Å; P19-Y74 WeakPolarHBondContact CG-OH 3.42Å; P19-R332 PolarHBondContact O-NH1 3.15Å; P19-R332 VanDerWaalsContact O-NH1 3.14Å
20Y98.1Very high94.6Very high55 Ų5539.3 Ų39.322%0.21621%0.212CC..SBendtrans-124166.1179.9-59.7-74.8000110.7L18 M42 E44 F46 R53 Y74L18-Y20 VanDerWaalsContact C-N 3.28Å; L18-Y20 PolarHBondContact O-N 3.34Å; Y20-M42 HydrophobicContact CD2-SD 4.4Å; Y20-E44 HydrophobicContact CD1-CB 4.18Å; Y20-F46 HydrophobicContact CD1-CE2 4.11Å; Y20-F46 HydrophobicContact CD1-CZ 4.07Å; Y20-F46 AromaticContact CE1-CE2 3.96Å; Y20-F46 HydrophobicContact CE1-CE2 3.96Å; Y20-F46 AromaticContact CE1-CZ 3.91Å; Y20-F46 HydrophobicContact CE1-CZ 3.91Å; Y20-R53 HydrophobicContact CD1-CB 4.36Å; Y20-R53 HydrophobicContact CE1-CB 3.77Å; Y20-Y74 AromaticContact CD2-CD1 3.96Å; Y20-Y74 HydrophobicContact CD2-CD1 3.96Å; Y20-Y74 HydrophobicContact CD2-CE1 4.16Å; Y20-Y74 AromaticContact CE2-CD1 3.71Å; Y20-Y74 HydrophobicContact CE2-CD1 3.71Å; Y20-Y74 HydrophobicContact CE2-CE1 4.21Å; Y20-Y74 HydrophobicContact CE2-CG 4.14Å
21K98Very high93.6Very high51 Ų5147.1 Ų47.122%0.22225%0.253CS..  trans-68149.1175.5-51.3-178.5178.8-179.20111.5M42 Y43 E44 Y329 R332K21-M42 CarbonylContact O-C 3.48Å; K21-M42 WeakPolarHBondContact O-CA 3.43Å; K21-M42 WeakPolarHBondContact O-CB 3.34Å; K21-Y43 WeakPolarHBondContact CB-O 3.41Å; K21-Y43 PolarHBondContact O-N 2.82Å; K21-E44 HydrophobicContact CD-CG 4.24Å; K21-E44 HydrophobicContact CG-CB 4.3Å; K21-E44 HydrophobicContact CG-CG 4.11Å; K21-Y329 HydrophobicContact CB-CD2 3.5Å; K21-Y329 VanDerWaalsContact CB-CD2 3.5Å; K21-Y329 HydrophobicContact CB-CE2 3.42Å; K21-Y329 VanDerWaalsContact CB-CE2 3.42Å; K21-Y329 HydrophobicContact CB-CG 4.2Å; K21-Y329 HydrophobicContact CD-CD1 3.93Å; K21-Y329 HydrophobicContact CD-CD2 3.92Å; K21-Y329 HydrophobicContact CD-CE1 3.5Å; K21-Y329 VanDerWaalsContact CD-CE1 3.5Å; K21-Y329 HydrophobicContact CD-CE2 3.42Å; K21-Y329 VanDerWaalsContact CD-CE2 3.42Å; K21-Y329 HydrophobicContact CD-CG 4.13Å; K21-Y329 HydrophobicContact CG-CD2 4.32Å; K21-Y329 HydrophobicContact CG-CE2 4.09Å; K21-Y329 WeakPolarHBondContact CG-O 3.37Å; K21-R332 HydrophobicContact CB-CG 4.49Å; K21-R332 HydrophobicContact CG-CG 3.93Å
22V98Very high92.5Very high0 Ų047.4 Ų47.40%026%0.258CS..EExtended strand (participates in β ladder)trans-114.3105.7-168.6-172.60000110.4L18 V25 C40 M42 S327 V334L18-V22 HydrophobicContact CB-CG2 4.16Å; L18-V22 HydrophobicContact CD1-CG2 3.58Å; L18-V22 HydrophobicContact CG-CG2 4.36Å; V22-V25 HydrophobicContact CG1-CG1 3.86Å; V22-C40 HydrophobicContact CG1-CB 4.01Å; V22-M42 HydrophobicContact CG2-CG 4.2Å; V22-S327 WeakPolarHBondContact O-CB 3.39Å; V22-S327 PolarHBondContact O-OG 3.26Å; V22-S327 VanDerWaalsContact O-OG 3.05Å; V22-V334 HydrophobicContact CG1-CG2 4.04Å; V22-V334 HydrophobicContact CG2-CG2 4.16Å
23D95.2Very high91.3Very high12 Ų1246.8 Ų46.86%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-89.6-26.7-175.2-77.534.7000112.3A41 Y312 Y329D23-A41 PolarHBondContact N-O 3.39Å; D23-A41 VanDerWaalsContact N-O 3.11Å; D23-Y312 WeakPolarHBondContact O-CB 3.13Å; D23-Y329 WeakPolarHBondContact OD1-CD2 3.24Å; D23-Y329 WeakPolarHBondContact OD1-CE2 3.27Å
24F98.2Very high90.5Very high11 Ų1149.9 Ų49.95%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-145.4143.3-175.5-150.5-99.2000112.3E26 C40 A41 K80 L81 T265 R267F24-E26 HydrophobicContact CE1-CB 4.45Å; F24-C40 CarbonylContact O-C 3.52Å; F24-C40 WeakPolarHBondContact O-CA 3.34Å; F24-A41 HydrophobicContact CB-CB 3.84Å; F24-A41 PolarHBondContact N-O 2.85Å; F24-A41 PolarHBondContact O-N 3.42Å; F24-K80 HydrophobicContact CD2-CB 4.28Å; F24-K80 HydrophobicContact CD2-CD 4.16Å; F24-K80 HydrophobicContact CD2-CG 3.79Å; F24-K80 HydrophobicContact CE2-CD 3.94Å; F24-K80 HydrophobicContact CE2-CG 4.06Å; F24-K80 HydrophobicContact CG-CB 4.35Å; F24-K80 HydrophobicContact CG-CG 4.29Å; F24-L81 HydrophobicContact CD1-CD1 4.18Å; F24-L81 HydrophobicContact CD1-CG 4.17Å; F24-L81 VanDerWaalsContact CE1-O 3.25Å; F24-L81 WeakPolarHBondContact CE1-O 3.25Å; F24-T265 HydrophobicContact CD2-CG2 3.86Å; F24-T265 HydrophobicContact CE2-CG2 3.39Å; F24-T265 HydrophobicContact CZ-CG2 4.15Å; F24-R267 VanDerWaalsContact CZ-NH2 3.34Å
25V98.3Very high89.8Confident1 Ų152.9 Ų52.91%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-134.3145.2169.5-53.70000109.9V22 I38 A39 C40 A313 V325 V334V22-V25 HydrophobicContact CG1-CG1 3.86Å; V25-I38 HydrophobicContact CB-CG2 4.16Å; V25-A39 CarbonylContact C-O 3.12Å; V25-A39 VanDerWaalsContact CA-O 3.24Å; V25-A39 WeakPolarHBondContact CA-O 3.42Å; V25-C40 HydrophobicContact CG1-CB 4.34Å; V25-A313 HydrophobicContact CB-CB 4.27Å; V25-A313 HydrophobicContact CG1-CB 4.32Å; V25-A313 HydrophobicContact CG2-CB 3.74Å; V25-A313 VanDerWaalsContact N-CB 3.25Å; V25-V325 HydrophobicContact CG2-CG2 3.92Å; V25-V334 HydrophobicContact CG1-CG2 4.36Å
26E97.4Very high89.6Confident17 Ų1750.3 Ų50.38%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-141.9127.2171.4-165.7172.3121.300110F24 A39 L81 T82 W83 R267 D315F24-E26 HydrophobicContact CE1-CB 4.45Å; E26-A39 PolarHBondContact N-O 2.7Å; E26-A39 PolarHBondContact O-N 3.42Å; E26-L81 HydrophobicContact CB-CD1 3.71Å; E26-T82 WeakPolarHBondContact OE1-CA 3.17Å; E26-T82 PolarHBondContact OE1-OG1 3.3Å; E26-T82 WeakPolarHBondContact OE2-CA 3.31Å; E26-T82 PolarHBondContact OE2-OG1 3.27Å; E26-W83 PolarHBondContact O-NE1 2.99Å; E26-W83 PolarHBondContact OE1-N 2.84Å; E26-R267 IonicContact OE2-NH2 3.88Å; E26-R267 PolarHBondContact OE2-NH2 3.32Å; E26-D315 WeakPolarHBondContact CA-OD2 3.36Å
27C96.1Very high89.4Confident20 Ų2050.3 Ų50.314%0.13529%0.291CS..EExtended strand (participates in β ladder)trans-82.3141.3175.6-77.90000110.7V37 D315 W316 V325C27-V37 CarbonylContact C-O 3.57Å; C27-V37 WeakPolarHBondContact CA-O 3.41Å; C27-D315 HydrophobicContact CB-CB 4.44Å; C27-D315 PolarHBondContact N-OD2 2.86Å; C27-W316 WeakPolarHBondContact CB-O 3.27Å; C27-W316 PolarHBondContact SG-O 3.2Å; C27-V325 WeakPolarHBondContact SG-CG2 3.2Å
28F93Very high89.4Confident48 Ų4845.6 Ų45.621%0.21126%0.262CS..EExtended strand (participates in β ladder)trans-117.5120.3166.4-172.4-86.7000109.9A30 P36 V37 W83 C86F28-A30 HydrophobicContact CE1-CB 4.13Å; F28-P36 WeakPolarHBondContact O-CA 3.37Å; F28-V37 HydrophobicContact CB-CG2 3.97Å; F28-V37 PolarHBondContact N-O 2.88Å; F28-V37 PolarHBondContact O-N 3.44Å; F28-V37 VanDerWaalsContact O-N 3.1Å; F28-W83 HydrophobicContact CB-CD2 3.77Å; F28-W83 HydrophobicContact CB-CE3 4.39Å; F28-W83 HydrophobicContact CB-CG 3.92Å; F28-W83 HydrophobicContact CB-CZ2 4.09Å; F28-W83 HydrophobicContact CD2-CB 3.83Å; F28-W83 HydrophobicContact CD2-CD2 4.17Å; F28-W83 HydrophobicContact CD2-CE3 4.49Å; F28-W83 AromaticContact CD2-CG 3.9Å; F28-W83 HydrophobicContact CD2-CG 3.9Å; F28-W83 HydrophobicContact CG-CD2 4.23Å; F28-W83 HydrophobicContact CG-CG 4.31Å; F28-C86 HydrophobicContact CD1-CB 4.2Å; F28-C86 VanDerWaalsContact CE1-CA 3.42Å; F28-C86 HydrophobicContact CE1-CB 3.33Å; F28-C86 HydrophobicContact CE2-CB 4.48Å; F28-C86 HydrophobicContact CZ-CB 3.51Å
29Q86.4Confident89.4Confident100 Ų10045.1 Ų45.147%0.46726%0.259SS..  trans-98.9113.7174.6-171.479.331.100109.1P36 F317Q29-P36 VanDerWaalsContact OE1-CB 3.29Å; Q29-F317 PolarHBondContact OE1-O 2.89Å
30A73.5Confident89.4Confident21 Ų2142.4 Ų42.417%0.17424%0.242CC..  trans-79.7140.2173.500000111.3F28 N32 N34F28-A30 HydrophobicContact CE1-CB 4.13Å; A30-N32 WeakPolarHBondContact CB-OD1 3.47Å; A30-N32 PolarHBondContact O-N 3.43Å; A30-N34 HydrophobicContact CB-CB 4.49Å
31D69.6Low89.5Confident176 Ų17639.8 Ų39.894%0.94123%0.232SC*.THydrogen-bonded Turntrans-66.9-18178.8-68.6-33.1000113.6G33D31-G33 PolarHBondContact O-N 3.38Å
32N70.1Confident89.5Confident111 Ų11137.4 Ų37.459%0.59422%0.221SC*.THydrogen-bonded Turntrans-79.48.2-17465.9-2.3000114.4A30 N34A30-N32 WeakPolarHBondContact CB-OD1 3.47Å; A30-N32 PolarHBondContact O-N 3.43Å; N32-N34 VanDerWaalsContact C-N 3.28Å; N32-N34 PolarHBondContact ND2-ND2 2.9Å; N32-N34 PolarHBondContact O-N 3.39Å; N32-N34 VanDerWaalsContact OD1-CB 3.28Å; N32-N34 WeakPolarHBondContact OD1-CB 3.35Å; N32-N34 VanDerWaalsContact OD1-CG 3.25Å; N32-N34 PolarHBondContact OD1-N 2.83Å
33G68.2Low89.5Confident70 Ų7038.2 Ų38.272%0.72223%0.225SC*.SBendtrans80.23.1179.500000114.9D31D31-G33 PolarHBondContact O-N 3.38Å
34N77.1Confident89.6Confident99 Ų9938.3 Ų38.353%0.52922%0.224SC..PPolyproline II helixtrans-62.9153.1171.7-72.9-5.2000110.9A30 N32A30-N34 HydrophobicContact CB-CB 4.49Å; N32-N34 VanDerWaalsContact C-N 3.28Å; N32-N34 PolarHBondContact ND2-ND2 2.9Å; N32-N34 PolarHBondContact O-N 3.39Å; N32-N34 VanDerWaalsContact OD1-CB 3.28Å; N32-N34 WeakPolarHBondContact OD1-CB 3.35Å; N32-N34 VanDerWaalsContact OD1-CG 3.25Å; N32-N34 PolarHBondContact OD1-N 2.83Å
35S83Confident89.5Confident76 Ų7641.5 Ų41.553%0.53124%0.242SC..PPolyproline II helixtrans-56.2138.2170.1-70.50000110.2
36P90.8Very high89.3Confident10 Ų1044.5 Ų44.57%0.06526%0.255CS..PPolyproline II helixtrans-59.4149.117310.6-14.4000111.1F28 Q29 F317F28-P36 WeakPolarHBondContact O-CA 3.37Å; Q29-P36 VanDerWaalsContact OE1-CB 3.29Å; P36-F317 HydrophobicContact CB-CD2 4.13Å; P36-F317 HydrophobicContact CB-CE2 3.9Å; P36-F317 HydrophobicContact CB-CZ 4.38Å; P36-F317 HydrophobicContact CG-CD1 4.28Å; P36-F317 HydrophobicContact CG-CD2 3.96Å; P36-F317 HydrophobicContact CG-CE1 4Å; P36-F317 HydrophobicContact CG-CE2 3.65Å; P36-F317 HydrophobicContact CG-CG 4.26Å; P36-F317 HydrophobicContact CG-CZ 3.65Å; P36-F317 WeakPolarHBondContact CG-O 3.28Å; P36-F317 WeakPolarHBondContact O-CE2 3.3Å
37V94.1Very high89.1Confident13 Ų1351.4 Ų51.48%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-116.8154.6177.2-650000109.7C27 F28 V58 L59 W83 W103C27-V37 CarbonylContact C-O 3.57Å; C27-V37 WeakPolarHBondContact CA-O 3.41Å; F28-V37 HydrophobicContact CB-CG2 3.97Å; F28-V37 PolarHBondContact N-O 2.88Å; F28-V37 PolarHBondContact O-N 3.44Å; F28-V37 VanDerWaalsContact O-N 3.1Å; V37-V58 HydrophobicContact CB-CG1 4.11Å; V37-L59 WeakPolarHBondContact CA-O 3.42Å; V37-W83 HydrophobicContact CG2-CH2 3.99Å; V37-W83 HydrophobicContact CG2-CZ2 3.91Å; V37-W103 HydrophobicContact CB-CH2 4.41Å; V37-W103 HydrophobicContact CB-CZ3 4.35Å; V37-W103 HydrophobicContact CG1-CH2 3.7Å; V37-W103 HydrophobicContact CG1-CZ3 4.01Å; V37-W103 HydrophobicContact CG2-CH2 4.47Å; V37-W103 HydrophobicContact CG2-CZ3 3.94Å
38I96.7Very high89Confident0 Ų055.9 Ų55.90%032%0.319CS..EExtended strand (participates in β ladder)trans-123.1116.1-171.9-51.4150.4000107.9V25 V58 L59 L67 F317 V325V25-I38 HydrophobicContact CB-CG2 4.16Å; I38-V58 CarbonylContact O-C 3.59Å; I38-V58 WeakPolarHBondContact O-CA 3.41Å; I38-L59 HydrophobicContact CB-CB 4.2Å; I38-L59 HydrophobicContact CD1-CB 4.29Å; I38-L59 PolarHBondContact N-O 2.78Å; I38-L59 PolarHBondContact O-N 2.96Å; I38-L67 HydrophobicContact CD1-CD2 3.67Å; I38-F317 HydrophobicContact CD1-CD2 4.05Å; I38-F317 HydrophobicContact CD1-CE2 4.1Å; I38-F317 HydrophobicContact CG1-CD2 4.08Å; I38-F317 HydrophobicContact CG1-CE2 4.26Å; I38-V325 HydrophobicContact CD1-CG1 3.48Å; I38-V325 VanDerWaalsContact CD1-CG1 3.48Å; I38-V325 HydrophobicContact CG1-CG1 3.97Å; I38-V325 HydrophobicContact CG2-CG2 4.25Å
39A97.9Very high88.9Confident0 Ų062.6 Ų62.60%034%0.343CS..EExtended strand (participates in β ladder)trans-83.6135.9167.500000109.1V25 E26 L81 W83 I89V25-A39 CarbonylContact C-O 3.12Å; V25-A39 VanDerWaalsContact CA-O 3.24Å; V25-A39 WeakPolarHBondContact CA-O 3.42Å; E26-A39 PolarHBondContact N-O 2.7Å; E26-A39 PolarHBondContact O-N 3.42Å; A39-L81 HydrophobicContact CB-CD1 3.72Å; A39-L81 HydrophobicContact CB-CD2 3.82Å; A39-L81 HydrophobicContact CB-CG 4.48Å; A39-W83 HydrophobicContact CB-CH2 4.42Å; A39-W83 HydrophobicContact CB-CZ2 3.5Å; A39-W83 VanDerWaalsContact CB-CZ2 3.5Å; A39-I89 HydrophobicContact CB-CD1 3.77Å; A39-I89 HydrophobicContact CB-CG1 4.38Å
40C98.5Very high89.2Confident0 Ų062.9 Ų62.90%036%0.356CS..EExtended strand (participates in β ladder)trans-123.3124.6176.2-46.60000110L18 V22 F24 V25 V56 C57L18-C40 HydrophobicContact CD1-CB 4.14Å; V22-C40 HydrophobicContact CG1-CB 4.01Å; F24-C40 CarbonylContact O-C 3.52Å; F24-C40 WeakPolarHBondContact O-CA 3.34Å; V25-C40 HydrophobicContact CG1-CB 4.34Å; C40-V56 WeakPolarHBondContact O-CA 3.27Å; C40-C57 VanDerWaalsContact CB-SG 3.55Å; C40-C57 PolarHBondContact N-O 2.82Å; C40-C57 PolarHBondContact O-N 3.32Å; C40-C57 VanDerWaalsContact O-N 3.15Å
41A98.5Very high90.2Very high0 Ų064.4 Ų64.40%036%0.359CS..EExtended strand (participates in β ladder)trans-88.1131.6167.900000108.6D23 F24 L78 L81D23-A41 PolarHBondContact N-O 3.39Å; D23-A41 VanDerWaalsContact N-O 3.11Å; F24-A41 HydrophobicContact CB-CB 3.84Å; F24-A41 PolarHBondContact N-O 2.85Å; F24-A41 PolarHBondContact O-N 3.42Å; A41-L78 HydrophobicContact CB-CB 4.2Å; A41-L81 HydrophobicContact CB-CB 4.43Å; A41-L81 HydrophobicContact CB-CD2 3.77Å; A41-L81 HydrophobicContact CB-CG 4Å
42M98.6Very high91.5Very high0 Ų059 Ų590%033%0.328CS..EExtended strand (participates in β ladder)trans-115136.9179.9-72168.4-7400111.3L18 Y20 K21 V22 G54 G55 C57 Y74 L78L18-M42 HydrophobicContact CB-SD 4.09Å; L18-M42 HydrophobicContact CD1-SD 4.13Å; Y20-M42 HydrophobicContact CD2-SD 4.4Å; K21-M42 CarbonylContact O-C 3.48Å; K21-M42 WeakPolarHBondContact O-CA 3.43Å; K21-M42 WeakPolarHBondContact O-CB 3.34Å; V22-M42 HydrophobicContact CG2-CG 4.2Å; M42-G54 WeakPolarHBondContact O-CA 3.5Å; M42-G55 PolarHBondContact N-O 2.94Å; M42-G55 PolarHBondContact O-N 2.89Å; M42-C57 HydrophobicContact CE-CB 3.93Å; M42-Y74 HydrophobicContact CE-CD1 4.13Å; M42-Y74 HydrophobicContact CE-CE1 3.6Å; M42-Y74 HydrophobicContact SD-CE1 4.18Å; M42-L78 CarbonylContact C-O 3.55Å; M42-L78 PolarHBondContact O-N 3.21Å
43Y97.7Very high92.8Very high18 Ų1858.1 Ų58.17%0.07132%0.316CS..EExtended strand (participates in β ladder)trans-143.1120.2178.4-179.2-73.9000110.3K21 L45 K52 A77 Y79K21-Y43 WeakPolarHBondContact CB-O 3.41Å; K21-Y43 PolarHBondContact O-N 2.82Å; Y43-L45 HydrophobicContact CE1-CB 4.45Å; Y43-K52 HydrophobicContact CE2-CB 4.37Å; Y43-K52 HydrophobicContact CE2-CD 3.95Å; Y43-K52 HydrophobicContact CE2-CG 4.4Å; Y43-K52 WeakPolarHBondContact OH-CD 3.43Å; Y43-K52 WeakPolarHBondContact OH-CE 3.43Å; Y43-K52 PolarHBondContact OH-NZ 2.76Å; Y43-K52 VanDerWaalsContact OH-NZ 3.08Å; Y43-A77 HydrophobicContact CD2-CB 3.23Å; Y43-A77 HydrophobicContact CE2-CB 3.66Å; Y43-A77 HydrophobicContact CG-CB 3.76Å; Y43-Y79 HydrophobicContact CD2-CD1 4.01Å; Y43-Y79 AromaticContact CD2-CD2 3.83Å; Y43-Y79 HydrophobicContact CD2-CD2 3.83Å; Y43-Y79 AromaticContact CD2-CE1 3.83Å; Y43-Y79 HydrophobicContact CD2-CE1 3.83Å; Y43-Y79 AromaticContact CD2-CE2 3.64Å; Y43-Y79 HydrophobicContact CD2-CE2 3.64Å; Y43-Y79 HydrophobicContact CD2-CG 4.03Å; Y43-Y79 AromaticContact CD2-CZ 3.67Å; Y43-Y79 HydrophobicContact CE1-CE1 4.45Å; Y43-Y79 HydrophobicContact CE2-CD1 4.24Å; Y43-Y79 AromaticContact CE2-CD2 3.88Å; Y43-Y79 HydrophobicContact CE2-CD2 3.88Å; Y43-Y79 AromaticContact CE2-CE1 3.63Å; Y43-Y79 HydrophobicContact CE2-CE1 3.63Å; Y43-Y79 AromaticContact CE2-CE2 3.19Å; Y43-Y79 HydrophobicContact CE2-CE2 3.19Å; Y43-Y79 HydrophobicContact CE2-CG 4.38Å; Y43-Y79 AromaticContact CE2-CZ 3.06Å; Y43-Y79 VanDerWaalsContact CE2-OH 3.26Å; Y43-Y79 WeakPolarHBondContact CE2-OH 3.39Å; Y43-Y79 HydrophobicContact CG-CE1 4.4Å; Y43-Y79 AromaticContact CZ-CE1 3.95Å; Y43-Y79 AromaticContact CZ-CZ 3.5Å; Y43-Y79 VanDerWaalsContact CZ-OH 3.25Å; Y43-Y79 PolarHBondContact OH-OH 2.98Å
44E97.1Very high94.3Very high13 Ų1354.8 Ų54.86%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-137.5126.1173.6-172.6163.1-159.700111Y20 K21 F46 K52 R53 R332Y20-E44 HydrophobicContact CD1-CB 4.18Å; K21-E44 HydrophobicContact CD-CG 4.24Å; K21-E44 HydrophobicContact CG-CB 4.3Å; K21-E44 HydrophobicContact CG-CG 4.11Å; E44-F46 HydrophobicContact CB-CE2 3.91Å; E44-F46 HydrophobicContact CB-CZ 4.36Å; E44-F46 HydrophobicContact CG-CD2 4.41Å; E44-F46 HydrophobicContact CG-CE2 3.81Å; E44-F46 HydrophobicContact CG-CZ 3.94Å; E44-K52 WeakPolarHBondContact O-CA 3.32Å; E44-R53 PolarHBondContact N-O 2.8Å; E44-R53 PolarHBondContact O-N 2.73Å; E44-R332 IonicContact OE1-CZ 3.4Å; E44-R332 IonicContact OE1-NE 2.78Å; E44-R332 PolarHBondContact OE1-NE 3.38Å; E44-R332 IonicContact OE1-NH2 3.77Å; E44-R332 PolarHBondContact OE1-NH2 2.91Å; E44-R332 IonicContact OE2-CZ 2.86Å; E44-R332 IonicContact OE2-NE 3.97Å; E44-R332 PolarHBondContact OE2-NE 2.79Å; E44-R332 IonicContact OE2-NH2 2.73Å; E44-R332 PolarHBondContact OE2-NH2 3.04Å
45L96.2Very high95.3Very high78 Ų7850 Ų5041%0.40826%0.256SS..EExtended strand (participates in β ladder)trans-88.4118.1173176.665000109.9Y43 E47 K52Y43-L45 HydrophobicContact CE1-CB 4.45Å; L45-E47 HydrophobicContact CD2-CG 4.25Å; L45-E47 HydrophobicContact CG-CG 4.3Å; L45-E47 PolarHBondContact O-N 2.85Å; L45-K52 HydrophobicContact CD1-CG 3.87Å
46F95.7Very high96Very high65 Ų6546.4 Ų46.429%0.28523%0.231SC..EExtended strand (participates in β ladder)trans-92.588.4171.3-65.8-92000108.9Y20 E44 S48 R49 S50 E51 R53Y20-F46 HydrophobicContact CD1-CE2 4.11Å; Y20-F46 HydrophobicContact CD1-CZ 4.07Å; Y20-F46 AromaticContact CE1-CE2 3.96Å; Y20-F46 HydrophobicContact CE1-CE2 3.96Å; Y20-F46 AromaticContact CE1-CZ 3.91Å; Y20-F46 HydrophobicContact CE1-CZ 3.91Å; E44-F46 HydrophobicContact CB-CE2 3.91Å; E44-F46 HydrophobicContact CB-CZ 4.36Å; E44-F46 HydrophobicContact CG-CD2 4.41Å; E44-F46 HydrophobicContact CG-CE2 3.81Å; E44-F46 HydrophobicContact CG-CZ 3.94Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 3.08Å; F46-R49 CarbonylContact O-C 3.56Å; F46-R49 PolarHBondContact O-N 2.79Å; F46-S50 PolarHBondContact O-N 3.06Å; F46-E51 HydrophobicContact CB-CB 4.48Å; F46-E51 PolarHBondContact N-O 3.01Å; F46-E51 PolarHBondContact O-N 3.43Å; F46-R53 HydrophobicContact CD2-CB 4.19Å; F46-R53 HydrophobicContact CD2-CG 4.29Å; F46-R53 HydrophobicContact CE2-CB 3.8Å; F46-R53 HydrophobicContact CE2-CG 4.28Å
47E92.4Very high96.3Very high161 Ų16146 Ų4675%0.75223%0.228SC*.G310 helixtrans-52.7-41.1-173.7-67.1-176.9-179.100113.3L45 R49 S50L45-E47 HydrophobicContact CD2-CG 4.25Å; L45-E47 HydrophobicContact CG-CG 4.3Å; L45-E47 PolarHBondContact O-N 2.85Å; E47-R49 PolarHBondContact O-N 3.28Å; E47-R49 VanDerWaalsContact O-N 3.08Å; E47-S50 PolarHBondContact O-N 2.89Å; E47-S50 VanDerWaalsContact O-N 3.1Å
48S93.9Very high96.4Very high115 Ų11545.3 Ų45.380%0.80422%0.224SC*.G310 helixtrans-59.6-23.1179.559.10000114.1F46F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 3.08Å
49R91.4Very high96.4Very high188 Ų18845.4 Ų45.471%0.70922%0.224SC*.G310 helixtrans-114.9-3.5179.3-61.4-177.3-179.8-155.8-1.4112.9F46 E47 E51F46-R49 CarbonylContact O-C 3.56Å; F46-R49 PolarHBondContact O-N 2.79Å; E47-R49 PolarHBondContact O-N 3.28Å; E47-R49 VanDerWaalsContact O-N 3.08Å; R49-E51 HydrophobicContact CB-CB 3.77Å; R49-E51 WeakPolarHBondContact CD-OE2 3.25Å; R49-E51 PolarHBondContact O-N 2.8Å
50S91.9Very high96.2Very high107 Ų10745.4 Ų45.475%0.74823%0.225SC*.THydrogen-bonded Turntrans48.439.2-168.8-620000112.2F46 E47F46-S50 PolarHBondContact O-N 3.06Å; E47-S50 PolarHBondContact O-N 2.89Å; E47-S50 VanDerWaalsContact O-N 3.1Å
51E95Very high95.9Very high52 Ų5246.1 Ų46.124%0.24323%0.228CC..EExtended strand (participates in β ladder)trans-115.7130.7-169.7-171.2-179.8-171.500109.6F46 R49 R53F46-E51 HydrophobicContact CB-CB 4.48Å; F46-E51 PolarHBondContact N-O 3.01Å; F46-E51 PolarHBondContact O-N 3.43Å; R49-E51 HydrophobicContact CB-CB 3.77Å; R49-E51 WeakPolarHBondContact CD-OE2 3.25Å; R49-E51 PolarHBondContact O-N 2.8Å; E51-R53 HydrophobicContact CG-CG 4.08Å; E51-R53 IonicContact OE1-CZ 3.71Å; E51-R53 IonicContact OE1-NE 3.79Å; E51-R53 PolarHBondContact OE1-NE 2.98Å; E51-R53 IonicContact OE1-NH2 2.8Å; E51-R53 PolarHBondContact OE1-NH2 2.97Å
52K97.2Very high95.1Very high64 Ų6451.1 Ų51.128%0.27825%0.251SS..EExtended strand (participates in β ladder)trans-103.6114177.5-60175.5177.3-158.20108.6Y43 E44 L45 A77 Y79 S120Y43-K52 HydrophobicContact CE2-CB 4.37Å; Y43-K52 HydrophobicContact CE2-CD 3.95Å; Y43-K52 HydrophobicContact CE2-CG 4.4Å; Y43-K52 WeakPolarHBondContact OH-CD 3.43Å; Y43-K52 WeakPolarHBondContact OH-CE 3.43Å; Y43-K52 PolarHBondContact OH-NZ 2.76Å; Y43-K52 VanDerWaalsContact OH-NZ 3.08Å; E44-K52 WeakPolarHBondContact O-CA 3.32Å; L45-K52 HydrophobicContact CD1-CG 3.87Å; K52-A77 HydrophobicContact CB-CB 3.8Å; K52-A77 PolarHBondContact O-N 3.47Å; K52-Y79 PolarHBondContact NZ-OH 3.07Å; K52-S120 PolarHBondContact NZ-OG 3.08Å
53R97.9Very high94.1Very high91 Ų9157.9 Ų57.934%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-121.4157.5179.1-66.2-65.2-168.5-176.4-2112Y20 E44 F46 E51 G75 A77Y20-R53 HydrophobicContact CD1-CB 4.36Å; Y20-R53 HydrophobicContact CE1-CB 3.77Å; E44-R53 PolarHBondContact N-O 2.8Å; E44-R53 PolarHBondContact O-N 2.73Å; F46-R53 HydrophobicContact CD2-CB 4.19Å; F46-R53 HydrophobicContact CD2-CG 4.29Å; F46-R53 HydrophobicContact CE2-CB 3.8Å; F46-R53 HydrophobicContact CE2-CG 4.28Å; E51-R53 HydrophobicContact CG-CG 4.08Å; E51-R53 IonicContact OE1-CZ 3.71Å; E51-R53 IonicContact OE1-NE 3.79Å; E51-R53 PolarHBondContact OE1-NE 2.98Å; E51-R53 IonicContact OE1-NH2 2.8Å; E51-R53 PolarHBondContact OE1-NH2 2.97Å; R53-G75 WeakPolarHBondContact CD-O 3.12Å; R53-A77 WeakPolarHBondContact O-CB 3.32Å
54G97.9Very high92.8Very high0 Ų062.4 Ų62.40%031%0.31CS..EExtended strand (participates in β ladder)trans169.8-133.617700000111.1M42 Y74 G75M42-G54 WeakPolarHBondContact O-CA 3.5Å; G54-Y74 WeakPolarHBondContact O-CA 3.43Å; G54-G75 PolarHBondContact N-O 3.3Å; G54-G75 VanDerWaalsContact N-O 3.09Å; G54-G75 PolarHBondContact O-N 3.16Å
55G97.9Very high92.1Very high0 Ų069.2 Ų69.20%034%0.339CS..EExtended strand (participates in β ladder)trans147.4-159.8179.500000112.5M42 C73M42-G55 PolarHBondContact N-O 2.94Å; M42-G55 PolarHBondContact O-N 2.89Å; G55-C73 VanDerWaalsContact CA-O 3.3Å; G55-C73 WeakPolarHBondContact CA-O 3.33Å
56V98.2Very high91.8Very high0 Ų069.5 Ų69.50%034%0.344CS..EExtended strand (participates in β ladder)trans-117.6138.8174.1-174.70000109.5C40 E72 C73 L78 L81 I89 F101 L108C40-V56 WeakPolarHBondContact O-CA 3.27Å; V56-E72 CarbonylContact O-C 3.48Å; V56-E72 WeakPolarHBondContact O-CA 3.36Å; V56-C73 PolarHBondContact N-O 2.91Å; V56-C73 PolarHBondContact O-N 3.4Å; V56-L78 HydrophobicContact CB-CD1 4.43Å; V56-L78 HydrophobicContact CG2-CD1 3.2Å; V56-L81 HydrophobicContact CG1-CD2 4.18Å; V56-I89 HydrophobicContact CG1-CD1 4.05Å; V56-F101 HydrophobicContact CG2-CD2 3.81Å; V56-F101 HydrophobicContact CG2-CE1 4.32Å; V56-F101 HydrophobicContact CG2-CE2 3.6Å; V56-F101 HydrophobicContact CG2-CG 4.26Å; V56-F101 HydrophobicContact CG2-CZ 3.88Å; V56-L108 HydrophobicContact CB-CD2 3.67Å; V56-L108 HydrophobicContact CG1-CD2 3.65Å
57C97.1Very high91.8Very high0 Ų067 Ų670%033%0.334CS..EExtended strand (participates in β ladder)trans-124.7152.5159.9670000110.7L18 C40 M42 A71 E72L18-C57 WeakPolarHBondContact CD1-SG 3.41Å; C40-C57 VanDerWaalsContact CB-SG 3.55Å; C40-C57 PolarHBondContact N-O 2.82Å; C40-C57 PolarHBondContact O-N 3.32Å; C40-C57 VanDerWaalsContact O-N 3.15Å; M42-C57 HydrophobicContact CE-CB 3.93Å; C57-A71 CarbonylContact C-O 3.57Å; C57-A71 WeakPolarHBondContact CA-O 3.45Å; C57-E72 HydrophobicContact CB-CB 4.24Å
58V96.8Very high91.9Very high0 Ų061.9 Ų61.90%031%0.31CS..EExtended strand (participates in β ladder)trans-110.2118.4170.7-179.30000107.4V37 I38 H70 A71 W83 I89 W103 L108V37-V58 HydrophobicContact CB-CG1 4.11Å; I38-V58 CarbonylContact O-C 3.59Å; I38-V58 WeakPolarHBondContact O-CA 3.41Å; V58-H70 HydrophobicContact CG1-CB 4.44Å; V58-H70 WeakPolarHBondContact O-CB 3.37Å; V58-H70 PolarHBondContact O-N 3.37Å; V58-A71 PolarHBondContact N-O 3.42Å; V58-A71 PolarHBondContact O-N 2.98Å; V58-W83 HydrophobicContact CG1-CH2 4.32Å; V58-W83 HydrophobicContact CG2-CH2 4.24Å; V58-I89 HydrophobicContact CG2-CD1 3.89Å; V58-W103 HydrophobicContact CG1-CD2 4.22Å; V58-W103 HydrophobicContact CG1-CE3 4.36Å; V58-W103 HydrophobicContact CG1-CH2 4.36Å; V58-W103 HydrophobicContact CG1-CZ2 4.18Å; V58-W103 HydrophobicContact CG1-CZ3 4.43Å; V58-W103 HydrophobicContact CG2-CG 4.43Å; V58-L108 HydrophobicContact CG2-CD1 4.25Å; V58-L108 HydrophobicContact CG2-CD2 4.44Å
59L96Very high91.9Very high1 Ų159 Ų591%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-96.9142.2175.4-54.8-179.3000110.8A16 L18 V37 I38 F68 C69 V334A16-L59 HydrophobicContact CB-CD1 4.14Å; L18-L59 HydrophobicContact CD2-CD2 4.18Å; V37-L59 WeakPolarHBondContact CA-O 3.42Å; I38-L59 HydrophobicContact CB-CB 4.2Å; I38-L59 HydrophobicContact CD1-CB 4.29Å; I38-L59 PolarHBondContact N-O 2.78Å; I38-L59 PolarHBondContact O-N 2.96Å; L59-F68 CarbonylContact C-O 3.51Å; L59-F68 WeakPolarHBondContact CA-O 3.35Å; L59-C69 HydrophobicContact CD2-CB 4.02Å; L59-V334 HydrophobicContact CD1-CB 3.91Å; L59-V334 HydrophobicContact CD1-CG1 4.03Å; L59-V334 HydrophobicContact CD1-CG2 4.09Å
60G93.3Very high92Very high1 Ų151.9 Ų51.91%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-110.6169.5168.200000111.4L67 F68 H70G60-L67 WeakPolarHBondContact O-CA 3.5Å; G60-F68 PolarHBondContact N-O 3.38Å; G60-F68 WeakPolarHBondContact O-CD1 3.45Å; G60-F68 PolarHBondContact O-N 2.77Å; G60-H70 WeakPolarHBondContact CA-CD2 2.94Å; G60-H70 PolarHBondContact N-CD2 3.13Å
61Y92.9Very high92.2Very high15 Ų1547 Ų476%0.05923%0.23CC..EExtended strand (participates in β ladder)trans-135.4108.6171-178.3-115.7000109.2V13 M64 L67 F317 L336V13-Y61 WeakPolarHBondContact CG1-OH 3.25Å; Y61-M64 HydrophobicContact CE1-SD 3.99Å; Y61-M64 VanDerWaalsContact CZ-C 3.41Å; Y61-M64 WeakPolarHBondContact OH-CA 3.42Å; Y61-M64 PolarHBondContact OH-O 3.3Å; Y61-L67 HydrophobicContact CD2-CD2 4.27Å; Y61-L67 HydrophobicContact CD2-CG 4.47Å; Y61-F317 AromaticContact CD1-CE1 3.91Å; Y61-F317 HydrophobicContact CD1-CE1 3.91Å; Y61-F317 AromaticContact CD1-CZ 3.9Å; Y61-F317 HydrophobicContact CD1-CZ 3.9Å; Y61-F317 HydrophobicContact CG-CE1 4.47Å; Y61-F317 HydrophobicContact CG-CZ 4.11Å; Y61-L336 HydrophobicContact CD1-CD2 4.05Å; Y61-L336 HydrophobicContact CD2-CD2 3.75Å; Y61-L336 HydrophobicContact CE1-CD2 3.81Å; Y61-L336 HydrophobicContact CE2-CD2 3.52Å; Y61-L336 HydrophobicContact CG-CD2 4Å
62E83.1Confident92.3Very high105 Ų10549.2 Ų49.249%0.49124%0.24SC..EExtended strand (participates in β ladder)trans-113156.7-177.6-87.4175.8-16500110.5M64 K65 F68E62-M64 PolarHBondContact O-N 2.94Å; E62-K65 PolarHBondContact O-N 3.26Å; E62-F68 HydrophobicContact CB-CD1 4.24Å; E62-F68 HydrophobicContact CB-CE1 3.55Å; E62-F68 HydrophobicContact CB-CZ 4.23Å; E62-F68 VanDerWaalsContact CD-CZ 3.42Å; E62-F68 HydrophobicContact CG-CE1 3.47Å; E62-F68 VanDerWaalsContact CG-CE1 3.47Å; E62-F68 HydrophobicContact CG-CZ 3.67Å; E62-F68 WeakPolarHBondContact OE1-CZ 3.3Å
63D76Confident92.3Very high141 Ų14147.3 Ų47.375%0.75423%0.234SC*.THydrogen-bonded Turntrans51.120.9175-65.6-24.6000116K65D63-K65 WeakPolarHBondContact O-CG 3.5Å; D63-K65 PolarHBondContact O-N 3.05Å
64M71Confident92.3Very high114 Ų11446.8 Ų46.856%0.56223%0.233SC*.THydrogen-bonded Turntrans55.428.7-178.2-62.3-73.4-56.100113.4Y61 E62Y61-M64 HydrophobicContact CE1-SD 3.99Å; Y61-M64 VanDerWaalsContact CZ-C 3.41Å; Y61-M64 WeakPolarHBondContact OH-CA 3.42Å; Y61-M64 PolarHBondContact OH-O 3.3Å; E62-M64 PolarHBondContact O-N 2.94Å
65K81.8Confident92.2Very high155 Ų15547.7 Ų47.767%0.67424%0.243SC*.THydrogen-bonded Turntrans-128.7-50.2-174.9-73.4177.1-171.7-179.90114.5S14 E62 D63S14-K65 PolarHBondContact OG-O 3.49Å; E62-K65 PolarHBondContact O-N 3.26Å; D63-K65 WeakPolarHBondContact O-CG 3.5Å; D63-K65 PolarHBondContact O-N 3.05Å
66T91Very high92.1Very high84 Ų8450.2 Ų50.252%0.51526%0.256SS..EExtended strand (participates in β ladder)trans-132.6130.1-166.848.70000112.1S14S14-T66 VanDerWaalsContact OG-CA 3.27Å; S14-T66 WeakPolarHBondContact OG-CA 2.8Å
67L96Very high92.1Very high13 Ų1350.2 Ų50.27%0.06826%0.256CS..EExtended strand (participates in β ladder)trans-64.4136.7158.2-72.2172.5000108.9S14 A16 I38 G60 Y61 V334 L336S14-L67 PolarHBondContact OG-N 3.36Å; A16-L67 HydrophobicContact CB-CB 3.74Å; A16-L67 HydrophobicContact CB-CD1 4.34Å; I38-L67 HydrophobicContact CD1-CD2 3.67Å; G60-L67 WeakPolarHBondContact O-CA 3.5Å; Y61-L67 HydrophobicContact CD2-CD2 4.27Å; Y61-L67 HydrophobicContact CD2-CG 4.47Å; L67-V334 HydrophobicContact CD1-CG1 4.46Å; L67-V334 WeakPolarHBondContact CD1-O 3Å; L67-L336 HydrophobicContact CD1-CB 3.95Å; L67-L336 HydrophobicContact CD2-CB 4.44Å; L67-L336 HydrophobicContact CG-CB 4.23Å
68F93.4Very high92.2Very high54 Ų5450.2 Ų50.224%0.23726%0.256CS..EExtended strand (participates in β ladder)trans-141.7155.8178.568.6-83000110.7L59 G60 E62 H70L59-F68 CarbonylContact C-O 3.51Å; L59-F68 WeakPolarHBondContact CA-O 3.35Å; G60-F68 PolarHBondContact N-O 3.38Å; G60-F68 WeakPolarHBondContact O-CD1 3.45Å; G60-F68 PolarHBondContact O-N 2.77Å; E62-F68 HydrophobicContact CB-CD1 4.24Å; E62-F68 HydrophobicContact CB-CE1 3.55Å; E62-F68 HydrophobicContact CB-CZ 4.23Å; E62-F68 VanDerWaalsContact CD-CZ 3.42Å; E62-F68 HydrophobicContact CG-CE1 3.47Å; E62-F68 VanDerWaalsContact CG-CE1 3.47Å; E62-F68 HydrophobicContact CG-CZ 3.67Å; E62-F68 WeakPolarHBondContact OE1-CZ 3.3Å; F68-H70 AromaticContact CE2-CD2 3.83Å; F68-H70 AromaticContact CE2-CE1 3.32Å; F68-H70 WeakPolarHBondContact CE2-CE1 3.41Å; F68-H70 AromaticContact CE2-CG 3.73Å; F68-H70 AromaticContact CE2-ND1 3.44Å; F68-H70 WeakPolarHBondContact CE2-ND1 3.34Å; F68-H70 AromaticContact CE2-NE2 3.58Å; F68-H70 AromaticContact CZ-CD2 3.91Å; F68-H70 AromaticContact CZ-CE1 3.28Å; F68-H70 WeakPolarHBondContact CZ-CE1 3.38Å; F68-H70 AromaticContact CZ-ND1 3.91Å; F68-H70 AromaticContact CZ-NE2 3.28Å; F68-H70 VanDerWaalsContact CZ-NE2 3.28Å; F68-H70 WeakPolarHBondContact CZ-NE2 3.46Å
69C94.6Very high92.2Very high54 Ų5452.2 Ų52.237%0.36526%0.264SS..EExtended strand (participates in β ladder)trans-84.7116.4177.6-170.70000110.2L59L59-C69 HydrophobicContact CD2-CB 4.02Å
70H92.7Very high92.2Very high39 Ų3953 Ų5318%0.18127%0.268CS..EExtended strand (participates in β ladder)trans-74.3-44.6172.6-88.9-67.5000111.8V58 G60 F68 W103V58-H70 HydrophobicContact CG1-CB 4.44Å; V58-H70 WeakPolarHBondContact O-CB 3.37Å; V58-H70 PolarHBondContact O-N 3.37Å; G60-H70 WeakPolarHBondContact CA-CD2 2.94Å; G60-H70 PolarHBondContact N-CD2 3.13Å; F68-H70 AromaticContact CE2-CD2 3.83Å; F68-H70 AromaticContact CE2-CE1 3.32Å; F68-H70 WeakPolarHBondContact CE2-CE1 3.41Å; F68-H70 AromaticContact CE2-CG 3.73Å; F68-H70 AromaticContact CE2-ND1 3.44Å; F68-H70 WeakPolarHBondContact CE2-ND1 3.34Å; F68-H70 AromaticContact CE2-NE2 3.58Å; F68-H70 AromaticContact CZ-CD2 3.91Å; F68-H70 AromaticContact CZ-CE1 3.28Å; F68-H70 WeakPolarHBondContact CZ-CE1 3.38Å; F68-H70 AromaticContact CZ-ND1 3.91Å; F68-H70 AromaticContact CZ-NE2 3.28Å; F68-H70 VanDerWaalsContact CZ-NE2 3.28Å; F68-H70 WeakPolarHBondContact CZ-NE2 3.46Å; H70-W103 HydrophobicContact CB-CZ2 4.08Å; H70-W103 AromaticContact CG-CZ2 3.99Å
71A96Very high92.5Very high5 Ų553.1 Ų53.14%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-162.1153.3-173.200000110.6C57 V58 L108C57-A71 CarbonylContact C-O 3.57Å; C57-A71 WeakPolarHBondContact CA-O 3.45Å; V58-A71 PolarHBondContact N-O 3.42Å; V58-A71 PolarHBondContact O-N 2.98Å; A71-L108 HydrophobicContact CB-CB 3.86Å
72E96.8Very high92.6Very high97 Ų9752.9 Ų52.945%0.45327%0.268SS..EExtended strand (participates in β ladder)trans-146.9149.2-175.657.5-169.5-151.200111.2V56 C57 Y74V56-E72 CarbonylContact O-C 3.48Å; V56-E72 WeakPolarHBondContact O-CA 3.36Å; C57-E72 HydrophobicContact CB-CB 4.24Å; E72-Y74 HydrophobicContact CB-CE1 4.35Å; E72-Y74 HydrophobicContact CB-CE2 3.95Å; E72-Y74 HydrophobicContact CG-CE2 3.75Å; E72-Y74 VanDerWaalsContact OE1-CE2 3.29Å; E72-Y74 WeakPolarHBondContact OE1-CE2 3.34Å; E72-Y74 PolarHBondContact OE2-OH 3.36Å
73C97.6Very high93.1Very high24 Ų2448.2 Ų48.216%0.16225%0.246CC..EExtended strand (participates in β ladder)trans-142.6103.9172.5-172.80000108.7G55 V56 F101 L108G55-C73 VanDerWaalsContact CA-O 3.3Å; G55-C73 WeakPolarHBondContact CA-O 3.33Å; V56-C73 PolarHBondContact N-O 2.91Å; V56-C73 PolarHBondContact O-N 3.4Å; C73-F101 HydrophobicContact CB-CD1 4.08Å; C73-F101 HydrophobicContact CB-CE1 4.02Å; C73-L108 HydrophobicContact CB-CB 4.28Å; C73-L108 HydrophobicContact CB-CD2 4Å; C73-L108 HydrophobicContact CB-CG 4.21Å
74Y97.4Very high93.9Very high80 Ų8044.3 Ų44.331%0.31422%0.224SC..EExtended strand (participates in β ladder)trans-92.5154.7-178.4-57.7-58.6000112.7P19 Y20 M42 G54 E72P19-Y74 HydrophobicContact CG-CE1 3.54Å; P19-Y74 HydrophobicContact CG-CE2 4.33Å; P19-Y74 VanDerWaalsContact CG-CZ 3.46Å; P19-Y74 VanDerWaalsContact CG-OH 3.24Å; P19-Y74 WeakPolarHBondContact CG-OH 3.42Å; Y20-Y74 AromaticContact CD2-CD1 3.96Å; Y20-Y74 HydrophobicContact CD2-CD1 3.96Å; Y20-Y74 HydrophobicContact CD2-CE1 4.16Å; Y20-Y74 AromaticContact CE2-CD1 3.71Å; Y20-Y74 HydrophobicContact CE2-CD1 3.71Å; Y20-Y74 HydrophobicContact CE2-CE1 4.21Å; Y20-Y74 HydrophobicContact CE2-CG 4.14Å; M42-Y74 HydrophobicContact CE-CD1 4.13Å; M42-Y74 HydrophobicContact CE-CE1 3.6Å; M42-Y74 HydrophobicContact SD-CE1 4.18Å; G54-Y74 WeakPolarHBondContact O-CA 3.43Å; E72-Y74 HydrophobicContact CB-CE1 4.35Å; E72-Y74 HydrophobicContact CB-CE2 3.95Å; E72-Y74 HydrophobicContact CG-CE2 3.75Å; E72-Y74 VanDerWaalsContact OE1-CE2 3.29Å; E72-Y74 WeakPolarHBondContact OE1-CE2 3.34Å; E72-Y74 PolarHBondContact OE2-OH 3.36Å
75G95.8Very high94.7Very high20 Ų2041.9 Ų41.921%0.20621%0.214CC..EExtended strand (participates in β ladder)trans168.5-128.9179.100000111.6R53 G54R53-G75 WeakPolarHBondContact CD-O 3.12Å; G54-G75 PolarHBondContact N-O 3.3Å; G54-G75 VanDerWaalsContact N-O 3.09Å; G54-G75 PolarHBondContact O-N 3.16Å
76D96.5Very high95Very high53 Ų5337.5 Ų37.528%0.28320%0.202SC..EExtended strand (participates in β ladder)trans-62.9149.6173.5-57.3-43.5000111.3C95D76-C95 PolarHBondContact OD2-SG 2.93Å; D76-C95 VanDerWaalsContact OD2-SG 3.42Å
77A98.2Very high95Very high0 Ų039 Ų390%020%0.198CC..  trans-64.6140.3177.800000111.5Y43 K52 R53 S93 S94Y43-A77 HydrophobicContact CD2-CB 3.23Å; Y43-A77 HydrophobicContact CE2-CB 3.66Å; Y43-A77 HydrophobicContact CG-CB 3.76Å; K52-A77 HydrophobicContact CB-CB 3.8Å; K52-A77 PolarHBondContact O-N 3.47Å; R53-A77 WeakPolarHBondContact O-CB 3.32Å; A77-S93 CarbonylContact O-C 3.51Å; A77-S93 WeakPolarHBondContact O-CA 3.38Å; A77-S94 PolarHBondContact O-N 2.78Å; A77-S94 PolarHBondContact O-OG 3.3Å
78L98.3Very high94.9Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-120.9127.6-178.6-59.7-179.9000109.9A41 M42 V56 A91 V92 F101A41-L78 HydrophobicContact CB-CB 4.2Å; M42-L78 CarbonylContact C-O 3.55Å; M42-L78 PolarHBondContact O-N 3.21Å; V56-L78 HydrophobicContact CB-CD1 4.43Å; V56-L78 HydrophobicContact CG2-CD1 3.2Å; L78-A91 HydrophobicContact CD1-CB 3.98Å; L78-A91 HydrophobicContact CD2-CB 4.43Å; L78-V92 WeakPolarHBondContact CA-O 3.37Å; L78-F101 HydrophobicContact CD1-CE2 3.9Å; L78-F101 HydrophobicContact CD1-CZ 3.87Å
79Y97Very high95Very high41 Ų4136.9 Ų36.916%0.16119%0.191CC..EExtended strand (participates in β ladder)trans-85.8-51.7-174.4-81.4-85000113.1Y43 K52 V92 L121Y43-Y79 HydrophobicContact CD2-CD1 4.01Å; Y43-Y79 AromaticContact CD2-CD2 3.83Å; Y43-Y79 HydrophobicContact CD2-CD2 3.83Å; Y43-Y79 AromaticContact CD2-CE1 3.83Å; Y43-Y79 HydrophobicContact CD2-CE1 3.83Å; Y43-Y79 AromaticContact CD2-CE2 3.64Å; Y43-Y79 HydrophobicContact CD2-CE2 3.64Å; Y43-Y79 HydrophobicContact CD2-CG 4.03Å; Y43-Y79 AromaticContact CD2-CZ 3.67Å; Y43-Y79 HydrophobicContact CE1-CE1 4.45Å; Y43-Y79 HydrophobicContact CE2-CD1 4.24Å; Y43-Y79 AromaticContact CE2-CD2 3.88Å; Y43-Y79 HydrophobicContact CE2-CD2 3.88Å; Y43-Y79 AromaticContact CE2-CE1 3.63Å; Y43-Y79 HydrophobicContact CE2-CE1 3.63Å; Y43-Y79 AromaticContact CE2-CE2 3.19Å; Y43-Y79 HydrophobicContact CE2-CE2 3.19Å; Y43-Y79 HydrophobicContact CE2-CG 4.38Å; Y43-Y79 AromaticContact CE2-CZ 3.06Å; Y43-Y79 VanDerWaalsContact CE2-OH 3.26Å; Y43-Y79 WeakPolarHBondContact CE2-OH 3.39Å; Y43-Y79 HydrophobicContact CG-CE1 4.4Å; Y43-Y79 AromaticContact CZ-CE1 3.95Å; Y43-Y79 AromaticContact CZ-CZ 3.5Å; Y43-Y79 VanDerWaalsContact CZ-OH 3.25Å; Y43-Y79 PolarHBondContact OH-OH 2.98Å; K52-Y79 PolarHBondContact NZ-OH 3.07Å; Y79-V92 PolarHBondContact N-O 2.83Å; Y79-L121 WeakPolarHBondContact CD2-O 3.46Å
80K97.7Very high95.1Very high19 Ų1934.3 Ų34.38%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-137.7155.2-179-63.8-166.5-175.2173.20109.8F24 A91 V92 I124 M178F24-K80 HydrophobicContact CD2-CB 4.28Å; F24-K80 HydrophobicContact CD2-CD 4.16Å; F24-K80 HydrophobicContact CD2-CG 3.79Å; F24-K80 HydrophobicContact CE2-CD 3.94Å; F24-K80 HydrophobicContact CE2-CG 4.06Å; F24-K80 HydrophobicContact CG-CB 4.35Å; F24-K80 HydrophobicContact CG-CG 4.29Å; K80-A91 VanDerWaalsContact O-CA 3.32Å; K80-A91 WeakPolarHBondContact O-CA 3.4Å; K80-V92 HydrophobicContact CB-CG2 4.02Å; K80-V92 WeakPolarHBondContact O-CG2 3.38Å; K80-V92 PolarHBondContact O-N 3Å; K80-I124 HydrophobicContact CB-CG2 4.03Å; K80-M178 PolarHBondContact NZ-O 2.89Å
81L98Very high95.4Very high2 Ų232.5 Ų32.51%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-140.2167.1175.361.872.2000110.9F24 E26 A39 A41 V56 I89 L90 A91F24-L81 HydrophobicContact CD1-CD1 4.18Å; F24-L81 HydrophobicContact CD1-CG 4.17Å; F24-L81 VanDerWaalsContact CE1-O 3.25Å; F24-L81 WeakPolarHBondContact CE1-O 3.25Å; E26-L81 HydrophobicContact CB-CD1 3.71Å; A39-L81 HydrophobicContact CB-CD1 3.72Å; A39-L81 HydrophobicContact CB-CD2 3.82Å; A39-L81 HydrophobicContact CB-CG 4.48Å; A41-L81 HydrophobicContact CB-CB 4.43Å; A41-L81 HydrophobicContact CB-CD2 3.77Å; A41-L81 HydrophobicContact CB-CG 4Å; V56-L81 HydrophobicContact CG1-CD2 4.18Å; L81-I89 HydrophobicContact CB-CG2 3.93Å; L81-I89 HydrophobicContact CD1-CG2 4.42Å; L81-I89 HydrophobicContact CD2-CG2 4.14Å; L81-I89 HydrophobicContact CG-CG2 4.41Å; L81-L90 CarbonylContact C-O 3.44Å; L81-L90 WeakPolarHBondContact CA-O 3.35Å; L81-L90 WeakPolarHBondContact CB-O 3.36Å; L81-A91 HydrophobicContact CB-CB 3.79Å
82T96Very high95.5Very high11 Ų1132.2 Ų32.27%0.06716%0.163CC..EExtended strand (participates in β ladder)trans-151.1149.4166.3-173.40000111.1E26 L90 V126 K128E26-T82 WeakPolarHBondContact OE1-CA 3.17Å; E26-T82 PolarHBondContact OE1-OG1 3.3Å; E26-T82 WeakPolarHBondContact OE2-CA 3.31Å; E26-T82 PolarHBondContact OE2-OG1 3.27Å; T82-L90 HydrophobicContact CG2-CB 4.44Å; T82-L90 PolarHBondContact N-O 2.76Å; T82-L90 PolarHBondContact O-N 2.98Å; T82-V126 HydrophobicContact CG2-CB 4.26Å; T82-V126 HydrophobicContact CG2-CG2 3.53Å; T82-K128 PolarHBondContact OG1-NZ 2.74Å
83W94.1Very high95.6Very high6 Ų627.6 Ų27.62%0.02314%0.142CC..EExtended strand (participates in β ladder)trans-74.1132.2170.9-6797.6000110.9E26 F28 V37 A39 V58 I89 W103 K128E26-W83 PolarHBondContact O-NE1 2.99Å; E26-W83 PolarHBondContact OE1-N 2.84Å; F28-W83 HydrophobicContact CB-CD2 3.77Å; F28-W83 HydrophobicContact CB-CE3 4.39Å; F28-W83 HydrophobicContact CB-CG 3.92Å; F28-W83 HydrophobicContact CB-CZ2 4.09Å; F28-W83 HydrophobicContact CD2-CB 3.83Å; F28-W83 HydrophobicContact CD2-CD2 4.17Å; F28-W83 HydrophobicContact CD2-CE3 4.49Å; F28-W83 AromaticContact CD2-CG 3.9Å; F28-W83 HydrophobicContact CD2-CG 3.9Å; F28-W83 HydrophobicContact CG-CD2 4.23Å; F28-W83 HydrophobicContact CG-CG 4.31Å; V37-W83 HydrophobicContact CG2-CH2 3.99Å; V37-W83 HydrophobicContact CG2-CZ2 3.91Å; A39-W83 HydrophobicContact CB-CH2 4.42Å; A39-W83 HydrophobicContact CB-CZ2 3.5Å; A39-W83 VanDerWaalsContact CB-CZ2 3.5Å; V58-W83 HydrophobicContact CG1-CH2 4.32Å; V58-W83 HydrophobicContact CG2-CH2 4.24Å; W83-I89 HydrophobicContact CD2-CG1 3.87Å; W83-I89 HydrophobicContact CE3-CD1 4.18Å; W83-I89 HydrophobicContact CE3-CG1 3.44Å; W83-I89 VanDerWaalsContact CE3-CG1 3.44Å; W83-I89 HydrophobicContact CH2-CD1 3.69Å; W83-I89 HydrophobicContact CH2-CG1 3.91Å; W83-I89 HydrophobicContact CZ2-CD1 4.06Å; W83-I89 HydrophobicContact CZ2-CG1 4.28Å; W83-I89 HydrophobicContact CZ3-CD1 3.75Å; W83-I89 HydrophobicContact CZ3-CG1 3.46Å; W83-I89 VanDerWaalsContact CZ3-CG1 3.46Å; W83-W103 HydrophobicContact CH2-CE3 4.22Å; W83-W103 HydrophobicContact CZ3-CE3 4.45Å; W83-K128 PolarHBondContact O-NZ 2.83Å
84L91Very high95.6Very high59 Ų5927.1 Ų27.131%0.30914%0.138SC..EExtended strand (participates in β ladder)trans-92-38.8169.5-61.3178.4000111.3S88 L90 V126 I151L84-S88 PolarHBondContact N-O 3Å; L84-L90 HydrophobicContact CD1-CB 4.04Å; L84-L90 HydrophobicContact CD2-CB 4.13Å; L84-L90 HydrophobicContact CD2-CD2 4.19Å; L84-L90 HydrophobicContact CG-CB 3.99Å; L84-V126 HydrophobicContact CD2-CB 4.5Å; L84-V126 HydrophobicContact CD2-CG1 3.94Å; L84-V126 HydrophobicContact CD2-CG2 4.01Å; L84-I151 HydrophobicContact CD1-CD1 4.44Å; L84-I151 HydrophobicContact CD1-CG1 3.87Å
85D88.9Confident95.6Very high63 Ų6325.5 Ų25.534%0.33714%0.138SC..EExtended strand (participates in β ladder)trans-155.5-176.8176.965.764.8000109.5R87 S88 R102D85-R87 PolarHBondContact O-N 2.89Å; D85-R87 WeakPolarHBondContact OD1-CA 3.32Å; D85-R87 PolarHBondContact OD1-N 2.86Å; D85-S88 VanDerWaalsContact CG-OG 3.31Å; D85-S88 PolarHBondContact O-N 2.84Å; D85-S88 PolarHBondContact OD1-N 2.8Å; D85-S88 PolarHBondContact OD1-OG 2.92Å; D85-S88 WeakPolarHBondContact OD2-CB 3.35Å; D85-S88 PolarHBondContact OD2-OG 3.24Å; D85-R102 IonicContact OD1-CZ 2.67Å; D85-R102 IonicContact OD1-NH1 2.74Å; D85-R102 PolarHBondContact OD1-NH1 3.02Å; D85-R102 IonicContact OD2-NH1 3.37Å; D85-R102 PolarHBondContact OD2-NH1 2.89Å
86C87.9Confident95.7Very high63 Ų6324.5 Ų24.543%0.42613%0.128SC..THydrogen-bonded Turntrans-62.8-3.8-176.8640000115.8F28F28-C86 HydrophobicContact CD1-CB 4.2Å; F28-C86 VanDerWaalsContact CE1-CA 3.42Å; F28-C86 HydrophobicContact CE1-CB 3.33Å; F28-C86 HydrophobicContact CE2-CB 4.48Å; F28-C86 HydrophobicContact CZ-CB 3.51Å
87R91.1Very high95.7Very high117 Ų11723.4 Ų23.444%0.44212%0.123SC..THydrogen-bonded Turntrans-143.60.2-177-73.2178.5-177.1-146.94.4112.9D85 R102 W103D85-R87 PolarHBondContact O-N 2.89Å; D85-R87 WeakPolarHBondContact OD1-CA 3.32Å; D85-R87 PolarHBondContact OD1-N 2.86Å; R87-R102 VanDerWaalsContact C-NH1 3.27Å; R87-R102 VanDerWaalsContact CB-NH2 3.32Å; R87-R102 CarbonylContact O-C 3.55Å; R87-R102 WeakPolarHBondContact O-CA 3.35Å; R87-R102 WeakPolarHBondContact O-CD 3.24Å; R87-R102 PolarHBondContact O-NH1 2.89Å; R87-W103 PolarHBondContact O-N 3.48Å
88S93.2Very high95.7Very high22 Ų2223.4 Ų23.415%0.15412%0.123CC..EExtended strand (participates in β ladder)trans-120.5129.3-178.5-60.80000111.2L84 D85 F101 R102L84-S88 PolarHBondContact N-O 3Å; D85-S88 VanDerWaalsContact CG-OG 3.31Å; D85-S88 PolarHBondContact O-N 2.84Å; D85-S88 PolarHBondContact OD1-N 2.8Å; D85-S88 PolarHBondContact OD1-OG 2.92Å; D85-S88 WeakPolarHBondContact OD2-CB 3.35Å; D85-S88 PolarHBondContact OD2-OG 3.24Å; S88-F101 WeakPolarHBondContact CA-O 3.47Å; S88-R102 PolarHBondContact OG-NH1 2.62Å
89I96.2Very high95.7Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-120.1135.3176.8-59.6164.5000108.4A39 V56 V58 L81 W83 A100 F101 L108A39-I89 HydrophobicContact CB-CD1 3.77Å; A39-I89 HydrophobicContact CB-CG1 4.38Å; V56-I89 HydrophobicContact CG1-CD1 4.05Å; V58-I89 HydrophobicContact CG2-CD1 3.89Å; L81-I89 HydrophobicContact CB-CG2 3.93Å; L81-I89 HydrophobicContact CD1-CG2 4.42Å; L81-I89 HydrophobicContact CD2-CG2 4.14Å; L81-I89 HydrophobicContact CG-CG2 4.41Å; W83-I89 HydrophobicContact CD2-CG1 3.87Å; W83-I89 HydrophobicContact CE3-CD1 4.18Å; W83-I89 HydrophobicContact CE3-CG1 3.44Å; W83-I89 VanDerWaalsContact CE3-CG1 3.44Å; W83-I89 HydrophobicContact CH2-CD1 3.69Å; W83-I89 HydrophobicContact CH2-CG1 3.91Å; W83-I89 HydrophobicContact CZ2-CD1 4.06Å; W83-I89 HydrophobicContact CZ2-CG1 4.28Å; W83-I89 HydrophobicContact CZ3-CD1 3.75Å; W83-I89 HydrophobicContact CZ3-CG1 3.46Å; W83-I89 VanDerWaalsContact CZ3-CG1 3.46Å; I89-A100 CarbonylContact O-C 3.58Å; I89-A100 WeakPolarHBondContact O-CA 3.44Å; I89-F101 HydrophobicContact CB-CB 4.38Å; I89-F101 PolarHBondContact N-O 2.97Å; I89-F101 PolarHBondContact O-N 2.83Å; I89-L108 HydrophobicContact CD1-CD1 4.4Å
90L97.1Very high95.7Very high0 Ų021.9 Ų21.90%012%0.118CC..EExtended strand (participates in β ladder)trans-110133.7171.2-166.564.2000108.9L81 T82 L84 L98 C99 A100 F112 I124 V126 V137 I151L81-L90 CarbonylContact C-O 3.44Å; L81-L90 WeakPolarHBondContact CA-O 3.35Å; L81-L90 WeakPolarHBondContact CB-O 3.36Å; T82-L90 HydrophobicContact CG2-CB 4.44Å; T82-L90 PolarHBondContact N-O 2.76Å; T82-L90 PolarHBondContact O-N 2.98Å; L84-L90 HydrophobicContact CD1-CB 4.04Å; L84-L90 HydrophobicContact CD2-CB 4.13Å; L84-L90 HydrophobicContact CD2-CD2 4.19Å; L84-L90 HydrophobicContact CG-CB 3.99Å; L90-L98 HydrophobicContact CD1-CD1 3.8Å; L90-L98 HydrophobicContact CD1-CD2 4.17Å; L90-L98 HydrophobicContact CD1-CG 3.77Å; L90-L98 HydrophobicContact CD2-CD1 4.07Å; L90-L98 HydrophobicContact CD2-CD2 4.43Å; L90-L98 HydrophobicContact CG-CD1 3.72Å; L90-L98 HydrophobicContact CG-CG 4.25Å; L90-C99 CarbonylContact C-O 3.56Å; L90-C99 WeakPolarHBondContact CA-O 3.09Å; L90-A100 HydrophobicContact CD1-CB 4.13Å; L90-F112 HydrophobicContact CD1-CZ 4.38Å; L90-I124 HydrophobicContact CB-CD1 4.34Å; L90-I124 HydrophobicContact CD2-CD1 3.58Å; L90-I124 HydrophobicContact CG-CD1 3.66Å; L90-V126 HydrophobicContact CD2-CG2 4.05Å; L90-V137 HydrophobicContact CD2-CG1 4.03Å; L90-V137 HydrophobicContact CD2-CG2 4.07Å; L90-I151 HydrophobicContact CD1-CD1 4.01Å; L90-I151 HydrophobicContact CD2-CD1 4.24Å
91A98.4Very high95.6Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-141.7154.5-177.600000112.2L78 K80 L81 C99 F101L78-A91 HydrophobicContact CD1-CB 3.98Å; L78-A91 HydrophobicContact CD2-CB 4.43Å; K80-A91 VanDerWaalsContact O-CA 3.32Å; K80-A91 WeakPolarHBondContact O-CA 3.4Å; L81-A91 HydrophobicContact CB-CB 3.79Å; A91-C99 PolarHBondContact N-O 3.34Å; A91-C99 PolarHBondContact O-N 3.33Å; A91-F101 HydrophobicContact CB-CE2 4.1Å
92V98.6Very high95.5Very high0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-107.9131.2179.2-75.10000111.2L78 Y79 K80 L98 L121 I124 V139L78-V92 WeakPolarHBondContact CA-O 3.37Å; Y79-V92 PolarHBondContact N-O 2.83Å; K80-V92 HydrophobicContact CB-CG2 4.02Å; K80-V92 WeakPolarHBondContact O-CG2 3.38Å; K80-V92 PolarHBondContact O-N 3Å; V92-L98 HydrophobicContact CG1-CD1 4.02Å; V92-L121 HydrophobicContact CB-CB 3.6Å; V92-L121 HydrophobicContact CB-CD1 4.25Å; V92-L121 HydrophobicContact CG1-CB 3.95Å; V92-L121 HydrophobicContact CG1-CD1 3.99Å; V92-L121 HydrophobicContact CG2-CB 4.49Å; V92-I124 HydrophobicContact CG1-CB 3.79Å; V92-I124 HydrophobicContact CG1-CD1 4.07Å; V92-I124 HydrophobicContact CG1-CG1 4.39Å; V92-I124 HydrophobicContact CG1-CG2 4.33Å; V92-I124 HydrophobicContact CG2-CB 4.36Å; V92-I124 HydrophobicContact CG2-CG2 4.19Å; V92-V139 HydrophobicContact CG1-CG1 3.95Å; V92-V139 HydrophobicContact CG1-CG2 4.48Å
93S98.3Very high95.4Very high0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-102160.8-173.784.10000114A77 C95 G96 D97 L121A77-S93 CarbonylContact O-C 3.51Å; A77-S93 WeakPolarHBondContact O-CA 3.38Å; S93-C95 PolarHBondContact O-N 3.19Å; S93-C95 PolarHBondContact OG-N 2.8Å; S93-C95 PolarHBondContact OG-SG 2.83Å; S93-G96 PolarHBondContact O-N 3Å; S93-G96 PolarHBondContact OG-N 3.34Å; S93-D97 WeakPolarHBondContact CB-O 3.38Å; S93-D97 PolarHBondContact N-O 2.75Å; S93-D97 WeakPolarHBondContact OG-CA 3.42Å; S93-D97 WeakPolarHBondContact OG-CB 3.49Å; S93-D97 PolarHBondContact OG-N 3.2Å; S93-D97 PolarHBondContact OG-O 3.09Å; S93-L121 PolarHBondContact O-N 2.67Å
94S97.7Very high95.2Very high13 Ų1328.2 Ų28.29%0.09115%0.149CC..THydrogen-bonded Turntrans-69.5-16.7174.966.60000115.1A77 S120A77-S94 PolarHBondContact O-N 2.78Å; A77-S94 PolarHBondContact O-OG 3.3Å; S94-S120 VanDerWaalsContact O-CA 3.29Å; S94-S120 WeakPolarHBondContact O-CA 3.25Å; S94-S120 PolarHBondContact O-OG 2.65Å
95C96.7Very high94.9Very high46 Ų4632.2 Ų32.231%0.31117%0.166SC..THydrogen-bonded Turntrans-95.9-1.2179.356.40000113.4D76 S93D76-C95 PolarHBondContact OD2-SG 2.93Å; D76-C95 VanDerWaalsContact OD2-SG 3.42Å; S93-C95 PolarHBondContact O-N 3.19Å; S93-C95 PolarHBondContact OG-N 2.8Å; S93-C95 PolarHBondContact OG-SG 2.83Å
96G97.8Very high94.8Very high0 Ų036.5 Ų36.50%018%0.183CC..SBendtrans100.910.6176.300000115.4S93 I116 V117 T119S93-G96 PolarHBondContact O-N 3Å; S93-G96 PolarHBondContact OG-N 3.34Å; G96-I116 PolarHBondContact O-N 3.04Å; G96-V117 VanDerWaalsContact CA-O 3.27Å; G96-V117 WeakPolarHBondContact CA-O 3.03Å; G96-V117 PolarHBondContact O-N 2.97Å; G96-T119 WeakPolarHBondContact CA-O 3.37Å; G96-T119 PolarHBondContact N-O 3.44Å; G96-T119 VanDerWaalsContact N-O 3.13Å
97D97.9Very high95.1Very high30 Ų3036.3 Ų36.316%0.1618%0.183CC..EExtended strand (participates in β ladder)trans-97.6134.7-177.1-64.5-13.1000111.6S93 A113 I114 N115S93-D97 WeakPolarHBondContact CB-O 3.38Å; S93-D97 PolarHBondContact N-O 2.75Å; S93-D97 WeakPolarHBondContact OG-CA 3.42Å; S93-D97 WeakPolarHBondContact OG-CB 3.49Å; S93-D97 PolarHBondContact OG-N 3.2Å; S93-D97 PolarHBondContact OG-O 3.09Å; D97-A113 HydrophobicContact CB-CB 4.34Å; D97-I114 WeakPolarHBondContact CA-O 3.29Å; D97-N115 WeakPolarHBondContact OD1-CA 3.46Å; D97-N115 VanDerWaalsContact OD1-CB 3.27Å; D97-N115 WeakPolarHBondContact OD1-CB 3.02Å; D97-N115 PolarHBondContact OD1-ND2 3.33Å
98L97.9Very high95.3Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-85.5115.5160.3-176.668000108.5L90 V92 A113 I114 I116 I124 V139 F156L90-L98 HydrophobicContact CD1-CD1 3.8Å; L90-L98 HydrophobicContact CD1-CD2 4.17Å; L90-L98 HydrophobicContact CD1-CG 3.77Å; L90-L98 HydrophobicContact CD2-CD1 4.07Å; L90-L98 HydrophobicContact CD2-CD2 4.43Å; L90-L98 HydrophobicContact CG-CD1 3.72Å; L90-L98 HydrophobicContact CG-CG 4.25Å; V92-L98 HydrophobicContact CG1-CD1 4.02Å; L98-A113 WeakPolarHBondContact O-CA 3.37Å; L98-I114 PolarHBondContact N-O 3.33Å; L98-I114 PolarHBondContact O-N 3.22Å; L98-I116 HydrophobicContact CB-CD1 3.68Å; L98-I116 HydrophobicContact CB-CG1 4.2Å; L98-I116 HydrophobicContact CD2-CD1 4.23Å; L98-I116 HydrophobicContact CG-CD1 4.5Å; L98-I124 HydrophobicContact CD1-CD1 3.54Å; L98-V139 HydrophobicContact CD1-CG2 4.36Å; L98-F156 HydrophobicContact CD2-CB 3.89Å; L98-F156 HydrophobicContact CD2-CD1 3.81Å; L98-F156 HydrophobicContact CD2-CD2 3.54Å; L98-F156 HydrophobicContact CD2-CE1 4.18Å; L98-F156 HydrophobicContact CD2-CE2 3.95Å; L98-F156 HydrophobicContact CD2-CG 3.46Å; L98-F156 VanDerWaalsContact CD2-CG 3.46Å; L98-F156 HydrophobicContact CD2-CZ 4.24Å
99C97.6Very high95.4Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-110.4127.6-172.4-57.20000110.4L90 A91 F101 R110L90-C99 CarbonylContact C-O 3.56Å; L90-C99 WeakPolarHBondContact CA-O 3.09Å; A91-C99 PolarHBondContact N-O 3.34Å; A91-C99 PolarHBondContact O-N 3.33Å; C99-F101 HydrophobicContact CB-CD2 4.38Å; C99-F101 HydrophobicContact CB-CE2 3.5Å; C99-F101 HydrophobicContact CB-CZ 3.87Å; C99-R110 PolarHBondContact SG-NH1 2.8Å
100A96.6Very high95.4Very high8 Ų837 Ų377%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-104.8134.8169.200000110.5I89 L90 R110 S111 F112I89-A100 CarbonylContact O-C 3.58Å; I89-A100 WeakPolarHBondContact O-CA 3.44Å; L90-A100 HydrophobicContact CD1-CB 4.13Å; A100-R110 CarbonylContact O-C 3.49Å; A100-S111 PolarHBondContact O-N 3.45Å; A100-F112 HydrophobicContact CB-CD1 3.58Å; A100-F112 HydrophobicContact CB-CD2 4.25Å; A100-F112 HydrophobicContact CB-CE1 3.22Å; A100-F112 HydrophobicContact CB-CE2 3.93Å; A100-F112 HydrophobicContact CB-CG 4.09Å; A100-F112 HydrophobicContact CB-CZ 3.41Å; A100-F112 VanDerWaalsContact CB-CZ 3.41Å; A100-F112 PolarHBondContact N-O 3.11Å; A100-F112 PolarHBondContact O-N 3.17Å
101F96.9Very high95.3Very high2 Ų239.5 Ų39.51%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-118.1137.3177.6-59.2-93.6000109.8V56 C73 L78 S88 I89 A91 C99 L108 V109 R110V56-F101 HydrophobicContact CG2-CD2 3.81Å; V56-F101 HydrophobicContact CG2-CE1 4.32Å; V56-F101 HydrophobicContact CG2-CE2 3.6Å; V56-F101 HydrophobicContact CG2-CG 4.26Å; V56-F101 HydrophobicContact CG2-CZ 3.88Å; C73-F101 HydrophobicContact CB-CD1 4.08Å; C73-F101 HydrophobicContact CB-CE1 4.02Å; L78-F101 HydrophobicContact CD1-CE2 3.9Å; L78-F101 HydrophobicContact CD1-CZ 3.87Å; S88-F101 WeakPolarHBondContact CA-O 3.47Å; I89-F101 HydrophobicContact CB-CB 4.38Å; I89-F101 PolarHBondContact N-O 2.97Å; I89-F101 PolarHBondContact O-N 2.83Å; A91-F101 HydrophobicContact CB-CE2 4.1Å; C99-F101 HydrophobicContact CB-CD2 4.38Å; C99-F101 HydrophobicContact CB-CE2 3.5Å; C99-F101 HydrophobicContact CB-CZ 3.87Å; F101-L108 HydrophobicContact CB-CD1 3.94Å; F101-L108 HydrophobicContact CB-CD2 4.41Å; F101-L108 HydrophobicContact CB-CG 4.08Å; F101-L108 HydrophobicContact CD1-CD2 4.4Å; F101-L108 HydrophobicContact CD1-CG 4.39Å; F101-V109 CarbonylContact C-O 3.57Å; F101-V109 VanDerWaalsContact CA-O 3.28Å; F101-V109 WeakPolarHBondContact CA-O 3.48Å; F101-R110 HydrophobicContact CD1-CB 4.09Å; F101-R110 HydrophobicContact CE1-CB 3.99Å; F101-R110 HydrophobicContact CE1-CG 4.19Å
102R95.5Very high95.1Very high77 Ų7740.7 Ų40.729%0.29121%0.213SC..EExtended strand (participates in β ladder)trans-108.1124.4173-170.970-174.8163.8-2.9109.5D85 R87 S88 V109D85-R102 IonicContact OD1-CZ 2.67Å; D85-R102 IonicContact OD1-NH1 2.74Å; D85-R102 PolarHBondContact OD1-NH1 3.02Å; D85-R102 IonicContact OD2-NH1 3.37Å; D85-R102 PolarHBondContact OD2-NH1 2.89Å; R87-R102 VanDerWaalsContact C-NH1 3.27Å; R87-R102 VanDerWaalsContact CB-NH2 3.32Å; R87-R102 CarbonylContact O-C 3.55Å; R87-R102 WeakPolarHBondContact O-CA 3.35Å; R87-R102 WeakPolarHBondContact O-CD 3.24Å; R87-R102 PolarHBondContact O-NH1 2.89Å; S88-R102 PolarHBondContact OG-NH1 2.62Å; R102-V109 HydrophobicContact CB-CG2 3.99Å; R102-V109 PolarHBondContact N-O 3.23Å; R102-V109 PolarHBondContact O-N 3Å
103W93.6Very high95Very high34 Ų3442.8 Ų42.813%0.12923%0.23CC..EExtended strand (participates in β ladder)trans-93.6121175-175.935.9000110.4V37 V58 H70 W83 R87 E105 L108V37-W103 HydrophobicContact CB-CH2 4.41Å; V37-W103 HydrophobicContact CB-CZ3 4.35Å; V37-W103 HydrophobicContact CG1-CH2 3.7Å; V37-W103 HydrophobicContact CG1-CZ3 4.01Å; V37-W103 HydrophobicContact CG2-CH2 4.47Å; V37-W103 HydrophobicContact CG2-CZ3 3.94Å; V58-W103 HydrophobicContact CG1-CD2 4.22Å; V58-W103 HydrophobicContact CG1-CE3 4.36Å; V58-W103 HydrophobicContact CG1-CH2 4.36Å; V58-W103 HydrophobicContact CG1-CZ2 4.18Å; V58-W103 HydrophobicContact CG1-CZ3 4.43Å; V58-W103 HydrophobicContact CG2-CG 4.43Å; H70-W103 HydrophobicContact CB-CZ2 4.08Å; H70-W103 AromaticContact CG-CZ2 3.99Å; W83-W103 HydrophobicContact CH2-CE3 4.22Å; W83-W103 HydrophobicContact CZ3-CE3 4.45Å; R87-W103 PolarHBondContact O-N 3.48Å; W103-E105 PolarHBondContact NE1-O 3Å; W103-L108 HydrophobicContact CB-CD1 3.74Å; W103-L108 HydrophobicContact CG-CD1 4.36Å
104C90.7Very high94.9Very high59 Ų5945.4 Ų45.440%0.39924%0.243SC..EExtended strand (participates in β ladder)trans-126.589.9-179.7-67.10000108.7H106 S107C104-H106 PolarHBondContact O-N 3.45Å; C104-S107 PolarHBondContact N-O 3.18Å; C104-S107 PolarHBondContact O-N 3.21Å
105E83.4Confident94.8Very high142 Ų14248.6 Ų48.666%0.66426%0.259SS*.THydrogen-bonded Turntrans55.4-92.6178-59.2176.1178.800112.8W103W103-E105 PolarHBondContact NE1-O 3Å
106H87.4Confident94.9Very high153 Ų15348 Ų4871%0.70825%0.253SS*.THydrogen-bonded Turntrans-103.76.4-177.5-57.1-67.8000113.8C104C104-H106 PolarHBondContact O-N 3.45Å
107S94.2Very high94.8Very high60 Ų6049.2 Ų49.242%0.4226%0.26SS..EExtended strand (participates in β ladder)trans-131.3141.5-177.9-170.30000111.8C104C104-S107 PolarHBondContact N-O 3.18Å; C104-S107 PolarHBondContact O-N 3.21Å
108L96.5Very high94.7Very high7 Ų755.2 Ų55.24%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-116.3115.5172.1-16971.1000107.5V56 V58 A71 C73 I89 F101 W103V56-L108 HydrophobicContact CB-CD2 3.67Å; V56-L108 HydrophobicContact CG1-CD2 3.65Å; V58-L108 HydrophobicContact CG2-CD1 4.25Å; V58-L108 HydrophobicContact CG2-CD2 4.44Å; A71-L108 HydrophobicContact CB-CB 3.86Å; C73-L108 HydrophobicContact CB-CB 4.28Å; C73-L108 HydrophobicContact CB-CD2 4Å; C73-L108 HydrophobicContact CB-CG 4.21Å; I89-L108 HydrophobicContact CD1-CD1 4.4Å; F101-L108 HydrophobicContact CB-CD1 3.94Å; F101-L108 HydrophobicContact CB-CD2 4.41Å; F101-L108 HydrophobicContact CB-CG 4.08Å; F101-L108 HydrophobicContact CD1-CD2 4.4Å; F101-L108 HydrophobicContact CD1-CG 4.39Å; W103-L108 HydrophobicContact CB-CD1 3.74Å; W103-L108 HydrophobicContact CG-CD1 4.36Å
109V95.4Very high94.7Very high70 Ų7056.7 Ų56.742%0.42430%0.301SS..EExtended strand (participates in β ladder)trans-111.9138.6-179.9-62.60000109.9F101 R102 S111F101-V109 CarbonylContact C-O 3.57Å; F101-V109 VanDerWaalsContact CA-O 3.28Å; F101-V109 WeakPolarHBondContact CA-O 3.48Å; R102-V109 HydrophobicContact CB-CG2 3.99Å; R102-V109 PolarHBondContact N-O 3.23Å; R102-V109 PolarHBondContact O-N 3Å; V109-S111 PolarHBondContact O-N 3.34Å
110R95.4Very high94.7Very high77 Ų7757.1 Ų57.129%0.29130%0.304SS..EExtended strand (participates in β ladder)trans-72.8108.2170.2-174.4-175.2-62-117.9-0.5108.1C99 A100 F101C99-R110 PolarHBondContact SG-NH1 2.8Å; A100-R110 CarbonylContact O-C 3.49Å; F101-R110 HydrophobicContact CD1-CB 4.09Å; F101-R110 HydrophobicContact CE1-CB 3.99Å; F101-R110 HydrophobicContact CE1-CG 4.19Å
111S93.8Very high94.7Very high52 Ų5256.7 Ų56.736%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-68.4-49.4178.8178.70000110.7A100 V109A100-S111 PolarHBondContact O-N 3.45Å; V109-S111 PolarHBondContact O-N 3.34Å
112F95Very high94.8Very high25 Ų2556.9 Ų56.911%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-150.3163171.768.3-100.8000111.5L90 A100 I114 I151 E154 F156L90-F112 HydrophobicContact CD1-CZ 4.38Å; A100-F112 HydrophobicContact CB-CD1 3.58Å; A100-F112 HydrophobicContact CB-CD2 4.25Å; A100-F112 HydrophobicContact CB-CE1 3.22Å; A100-F112 HydrophobicContact CB-CE2 3.93Å; A100-F112 HydrophobicContact CB-CG 4.09Å; A100-F112 HydrophobicContact CB-CZ 3.41Å; A100-F112 VanDerWaalsContact CB-CZ 3.41Å; A100-F112 PolarHBondContact N-O 3.11Å; A100-F112 PolarHBondContact O-N 3.17Å; F112-I114 HydrophobicContact CD2-CD1 3.76Å; F112-I114 HydrophobicContact CD2-CG1 3.91Å; F112-I114 HydrophobicContact CE2-CD1 3.87Å; F112-I114 HydrophobicContact CE2-CG1 4.33Å; F112-I151 HydrophobicContact CE1-CD1 4.22Å; F112-I151 HydrophobicContact CZ-CD1 3.6Å; F112-E154 VanDerWaalsContact CD1-O 3.25Å; F112-E154 WeakPolarHBondContact CD1-O 3.32Å; F112-E154 VanDerWaalsContact CE1-C 3.5Å; F112-F156 HydrophobicContact CE2-CB 4.27Å; F112-F156 HydrophobicContact CZ-CB 4.45Å
113A96.1Very high94.9Very high44 Ų4453.2 Ų53.236%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-136.5128.4163.400000108.4D97 L98D97-A113 HydrophobicContact CB-CB 4.34Å; L98-A113 WeakPolarHBondContact O-CA 3.37Å
114I96.1Very high95.1Very high54 Ų5452.4 Ų52.428%0.27729%0.286SS..EExtended strand (participates in β ladder)trans-120.3120.2179.6-70.2164.2000107.9D97 L98 F112 I116 F156D97-I114 WeakPolarHBondContact CA-O 3.29Å; L98-I114 PolarHBondContact N-O 3.33Å; L98-I114 PolarHBondContact O-N 3.22Å; F112-I114 HydrophobicContact CD2-CD1 3.76Å; F112-I114 HydrophobicContact CD2-CG1 3.91Å; F112-I114 HydrophobicContact CE2-CD1 3.87Å; F112-I114 HydrophobicContact CE2-CG1 4.33Å; I114-I116 PolarHBondContact O-N 2.72Å; I114-F156 HydrophobicContact CD1-CB 3.63Å; I114-F156 HydrophobicContact CG2-CD1 4.43Å
115N97.1Very high95.4Very high80 Ų8050 Ų5043%0.42827%0.271SS..EExtended strand (participates in β ladder)trans-70.7117.8174.4-171.6-102.8000110D97 V117D97-N115 WeakPolarHBondContact OD1-CA 3.46Å; D97-N115 VanDerWaalsContact OD1-CB 3.27Å; D97-N115 WeakPolarHBondContact OD1-CB 3.02Å; D97-N115 PolarHBondContact OD1-ND2 3.33Å; N115-V117 PolarHBondContact ND2-O 2.86Å; N115-V117 PolarHBondContact OD1-O 3.44Å
116I97Very high96Very high33 Ų3343.9 Ų43.917%0.16924%0.243CC..  trans-92.9-41.1176.1-60.1-174.8000109.8G96 L98 I114 L121 V139 H147 F156G96-I116 PolarHBondContact O-N 3.04Å; L98-I116 HydrophobicContact CB-CD1 3.68Å; L98-I116 HydrophobicContact CB-CG1 4.2Å; L98-I116 HydrophobicContact CD2-CD1 4.23Å; L98-I116 HydrophobicContact CG-CD1 4.5Å; I114-I116 PolarHBondContact O-N 2.72Å; I116-L121 HydrophobicContact CB-CD1 4.5Å; I116-L121 HydrophobicContact CD1-CD1 4.2Å; I116-V139 HydrophobicContact CD1-CG2 4.31Å; I116-H147 HydrophobicContact CG2-CB 3.87Å; I116-H147 VanDerWaalsContact CG2-CG 3.48Å; I116-F156 HydrophobicContact CD1-CD1 4.26Å; I116-F156 HydrophobicContact CD1-CE1 3.68Å; I116-F156 HydrophobicContact CD1-CZ 4.26Å; I116-F156 HydrophobicContact CG1-CE1 4.17Å
117V97.1Very high96.2Very high26 Ų2636.8 Ų36.816%0.15821%0.21CC..  trans-148.9166.5-176.4-74.20000110.9G96 N115 T119 L121 D141 H147G96-V117 VanDerWaalsContact CA-O 3.27Å; G96-V117 WeakPolarHBondContact CA-O 3.03Å; G96-V117 PolarHBondContact O-N 2.97Å; N115-V117 PolarHBondContact ND2-O 2.86Å; N115-V117 PolarHBondContact OD1-O 3.44Å; V117-T119 VanDerWaalsContact C-N 3.3Å; V117-T119 HydrophobicContact CB-CG2 4.1Å; V117-T119 HydrophobicContact CG2-CG2 3.68Å; V117-T119 PolarHBondContact O-N 2.88Å; V117-L121 HydrophobicContact CG2-CD2 3.51Å; V117-L121 HydrophobicContact CG2-CG 4.32Å; V117-D141 HydrophobicContact CG2-CB 4.28Å; V117-H147 WeakPolarHBondContact CG1-CE1 3.1Å
118N96.2Very high95.7Very high157 Ų15738.5 Ų38.584%0.8421%0.21SC*.SBendtrans-9641.2173.5-66.4-48.2000111.9
119T96.5Very high94.8Very high30 Ų3039 Ų3918%0.18421%0.213CC..SBendtrans-148.3169.5178.5-168.80000109.7G96 V117 L121 D141 L143G96-T119 WeakPolarHBondContact CA-O 3.37Å; G96-T119 PolarHBondContact N-O 3.44Å; G96-T119 VanDerWaalsContact N-O 3.13Å; V117-T119 VanDerWaalsContact C-N 3.3Å; V117-T119 HydrophobicContact CB-CG2 4.1Å; V117-T119 HydrophobicContact CG2-CG2 3.68Å; V117-T119 PolarHBondContact O-N 2.88Å; T119-L121 PolarHBondContact O-N 3.46Å; T119-D141 HydrophobicContact CG2-CB 3.99Å; T119-L143 HydrophobicContact CG2-CB 4.47Å; T119-L143 HydrophobicContact CG2-CD1 3.88Å; T119-L143 HydrophobicContact CG2-CG 3.91Å
120S97.4Very high93.4Very high9 Ų941.9 Ų41.96%0.06323%0.232CC..  trans-63.6131.5177.4-63.50000111.5K52 S94 D141 A142K52-S120 PolarHBondContact NZ-OG 3.08Å; S94-S120 VanDerWaalsContact O-CA 3.29Å; S94-S120 WeakPolarHBondContact O-CA 3.25Å; S94-S120 PolarHBondContact O-OG 2.65Å; S120-D141 WeakPolarHBondContact O-CA 3.42Å; S120-A142 WeakPolarHBondContact O-CB 3.28Å; S120-A142 PolarHBondContact O-N 2.88Å
121L98.4Very high91.9Very high0 Ų045 Ų450%025%0.25CC..EExtended strand (participates in β ladder)trans-85.1136.8163.8-64178.9000108.4Y79 V92 S93 I116 V117 T119 V139 D141Y79-L121 WeakPolarHBondContact CD2-O 3.46Å; V92-L121 HydrophobicContact CB-CB 3.6Å; V92-L121 HydrophobicContact CB-CD1 4.25Å; V92-L121 HydrophobicContact CG1-CB 3.95Å; V92-L121 HydrophobicContact CG1-CD1 3.99Å; V92-L121 HydrophobicContact CG2-CB 4.49Å; S93-L121 PolarHBondContact O-N 2.67Å; I116-L121 HydrophobicContact CB-CD1 4.5Å; I116-L121 HydrophobicContact CD1-CD1 4.2Å; V117-L121 HydrophobicContact CG2-CD2 3.51Å; V117-L121 HydrophobicContact CG2-CG 4.32Å; T119-L121 PolarHBondContact O-N 3.46Å; L121-V139 HydrophobicContact CB-CG1 4.18Å; L121-V139 HydrophobicContact CD1-CG1 3.87Å; L121-V139 HydrophobicContact CD2-CG1 3.6Å; L121-V139 HydrophobicContact CG-CG1 4.06Å; L121-D141 HydrophobicContact CD2-CB 3.92Å
122T97.9Very high90.6Very high5 Ų545.9 Ų45.93%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-123.7-21.1-161.252.20000112.3G140 A142 E176 T177T122-G140 PolarHBondContact N-O 3.22Å; T122-G140 PolarHBondContact OG1-O 3Å; T122-A142 HydrophobicContact CG2-CB 3.92Å; T122-E176 WeakPolarHBondContact CB-OE1 3.3Å; T122-E176 HydrophobicContact CG2-CG 3.89Å; T122-E176 WeakPolarHBondContact CG2-OE1 3.46Å; T122-T177 PolarHBondContact OG1-O 2.74Å
123S98.2Very high89.2Confident1 Ų150.8 Ų50.81%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-149.1153.217851.30000112.6V139 G140 T177 T180S123-V139 WeakPolarHBondContact O-CA 3.41Å; S123-G140 PolarHBondContact N-O 3.17Å; S123-G140 PolarHBondContact O-N 3.29Å; S123-G140 WeakPolarHBondContact OG-CA 3.45Å; S123-G140 PolarHBondContact OG-N 3.49Å; S123-T177 PolarHBondContact OG-O 3.1Å; S123-T180 WeakPolarHBondContact OG-CG2 3.45Å
124I98.1Very high88.2Confident16 Ų1653.2 Ų53.28%0.08229%0.29CS..EExtended strand (participates in β ladder)trans-145.4141.1175.4-172.7168000110.1K80 L90 V92 L98 V137 L138 V139 T180K80-I124 HydrophobicContact CB-CG2 4.03Å; L90-I124 HydrophobicContact CB-CD1 4.34Å; L90-I124 HydrophobicContact CD2-CD1 3.58Å; L90-I124 HydrophobicContact CG-CD1 3.66Å; V92-I124 HydrophobicContact CG1-CB 3.79Å; V92-I124 HydrophobicContact CG1-CD1 4.07Å; V92-I124 HydrophobicContact CG1-CG1 4.39Å; V92-I124 HydrophobicContact CG1-CG2 4.33Å; V92-I124 HydrophobicContact CG2-CB 4.36Å; V92-I124 HydrophobicContact CG2-CG2 4.19Å; L98-I124 HydrophobicContact CD1-CD1 3.54Å; I124-V137 HydrophobicContact CD1-CG1 3.9Å; I124-V137 HydrophobicContact CG1-CG1 3.87Å; I124-L138 CarbonylContact C-O 3.48Å; I124-L138 WeakPolarHBondContact CA-O 3.42Å; I124-V139 HydrophobicContact CG1-CG2 4.32Å; I124-T180 VanDerWaalsContact C-OG1 3.29Å; I124-T180 PolarHBondContact N-OG1 2.95Å
125S96.8Very high87.8Confident9 Ų952.3 Ų52.36%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-140148164.2550000110.4V137 L138 T180 M182S125-V137 WeakPolarHBondContact O-CA 3.16Å; S125-L138 PolarHBondContact N-O 2.69Å; S125-L138 PolarHBondContact O-N 3.48Å; S125-T180 WeakPolarHBondContact CB-O 3.22Å; S125-T180 PolarHBondContact N-OG1 2.96Å; S125-T180 PolarHBondContact OG-O 3.47Å; S125-M182 WeakPolarHBondContact OG-CG 3.05Å; S125-M182 PolarHBondContact OG-N 2.83Å
126V94.8Very high87.7Confident13 Ų1348.9 Ų48.98%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-123.9136.2-177.5177.40000108.7T82 L84 L90 K128 G136 V137T82-V126 HydrophobicContact CG2-CB 4.26Å; T82-V126 HydrophobicContact CG2-CG2 3.53Å; L84-V126 HydrophobicContact CD2-CB 4.5Å; L84-V126 HydrophobicContact CD2-CG1 3.94Å; L84-V126 HydrophobicContact CD2-CG2 4.01Å; L90-V126 HydrophobicContact CD2-CG2 4.05Å; V126-K128 PolarHBondContact O-N 3.04Å; V126-K128 VanDerWaalsContact O-N 3.17Å; V126-G136 WeakPolarHBondContact CA-O 3.43Å; V126-V137 HydrophobicContact CG2-CG1 4.2Å; V126-V137 HydrophobicContact CG2-CG2 4.14Å
127S92.3Very high87.6Confident4 Ų447.3 Ų47.33%0.02826%0.263CS..  trans-61.2118.7176.3-175.40000110.1Q129 S135 G136 M182S127-Q129 VanDerWaalsContact C-N 3.26Å; S127-Q129 PolarHBondContact O-N 2.71Å; S127-S135 PolarHBondContact O-OG 3.05Å; S127-G136 PolarHBondContact N-O 2.89Å; S127-M182 PolarHBondContact N-SD 3.48Å
128K83.4Confident87.7Confident96 Ų9646 Ų4642%0.41726%0.255SS..  trans-90.119.5176-58.5-65.6-177.2175.50112.5T82 W83 V126 P130T82-K128 PolarHBondContact OG1-NZ 2.74Å; W83-K128 PolarHBondContact O-NZ 2.83Å; V126-K128 PolarHBondContact O-N 3.04Å; V126-K128 VanDerWaalsContact O-N 3.17Å; K128-P130 VanDerWaalsContact O-CD 3.25Å; K128-P130 WeakPolarHBondContact O-CD 3.3Å
129Q77.8Confident87.8Confident19 Ų1938.6 Ų38.69%0.08922%0.216CC..  trans-82.4108.9177.4-66-158.1-7.600110.8S127 H131 L132 R184 N185 A187S127-Q129 VanDerWaalsContact C-N 3.26Å; S127-Q129 PolarHBondContact O-N 2.71Å; Q129-H131 PolarHBondContact O-N 3.28Å; Q129-H131 VanDerWaalsContact O-N 3.16Å; Q129-H131 PolarHBondContact OE1-CE1 3.25Å; Q129-H131 VanDerWaalsContact OE1-CE1 3.3Å; Q129-H131 PolarHBondContact OE1-NE2 2.89Å; Q129-L132 HydrophobicContact CB-CD1 3.93Å; Q129-L132 HydrophobicContact CB-CG 4.25Å; Q129-L132 PolarHBondContact O-N 3.12Å; Q129-R184 PolarHBondContact NE2-O 3.45Å; Q129-N185 VanDerWaalsContact NE2-C 3.31Å; Q129-A187 HydrophobicContact CG-CB 4.48Å; Q129-A187 VanDerWaalsContact NE2-N 3.11Å
130P65.3Low87.8Confident129 Ų12937.1 Ų37.184%0.83821%0.207SC*.THydrogen-bonded Turntrans-71-15.4-168.728.1-35.9000114.2K128K128-P130 VanDerWaalsContact O-CD 3.25Å; K128-P130 WeakPolarHBondContact O-CD 3.3Å
131H65.8Low87.9Confident142 Ų14236.8 Ų36.866%0.65720%0.204SC*.THydrogen-bonded Turntrans-88.5-6.9-176.556.6-84.2000113.5Q129Q129-H131 PolarHBondContact O-N 3.28Å; Q129-H131 VanDerWaalsContact O-N 3.16Å; Q129-H131 PolarHBondContact OE1-CE1 3.25Å; Q129-H131 VanDerWaalsContact OE1-CE1 3.3Å; Q129-H131 PolarHBondContact OE1-NE2 2.89Å
132L65.7Low87.8Confident71 Ų7138.2 Ų38.237%0.37222%0.216SC..SBendtrans-90.1125178.5-65.7175.5000110.5Q129 N134 A187Q129-L132 HydrophobicContact CB-CD1 3.93Å; Q129-L132 HydrophobicContact CB-CG 4.25Å; Q129-L132 PolarHBondContact O-N 3.12Å; L132-N134 PolarHBondContact O-N 3Å; L132-A187 HydrophobicContact CD1-CB 3.45Å; L132-A187 VanDerWaalsContact CD1-CB 3.45Å
133T65.2Low87.8Confident129 Ų12942.3 Ų42.379%0.79124%0.237SC*.SBendtrans-71.1121.5167.754.40000108.8
134N75.2Confident87.7Confident95 Ų9542.3 Ų42.351%0.50824%0.237SC..SBendtrans66.3100.9-172.1-56-19.2000113.3L132 G136 R150 I151L132-N134 PolarHBondContact O-N 3Å; N134-G136 PolarHBondContact O-N 2.87Å; N134-R150 HydrophobicContact CB-CB 4.19Å; N134-I151 WeakPolarHBondContact CA-O 3.31Å; N134-I151 VanDerWaalsContact CB-O 3.3Å; N134-I151 WeakPolarHBondContact CB-O 3.34Å
135S87.7Confident87.7Confident35 Ų3543.3 Ų43.325%0.24524%0.242CC..  trans-58.4133.4178.9-61.50000111.4S127 I151S127-S135 PolarHBondContact O-OG 3.05Å; S135-I151 WeakPolarHBondContact O-CG2 3.36Å; S135-I151 PolarHBondContact O-N 2.83Å
136G94.1Very high87.7Confident7 Ų742.9 Ų42.97%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-62.3143.316700000110.2V126 S127 N134 G149 M182V126-G136 WeakPolarHBondContact CA-O 3.43Å; S127-G136 PolarHBondContact N-O 2.89Å; N134-G136 PolarHBondContact O-N 2.87Å; G136-G149 CarbonylContact C-O 3.55Å; G136-G149 WeakPolarHBondContact CA-O 3.31Å; G136-M182 VanDerWaalsContact O-SD 3.4Å
137V96.3Very high87.9Confident0 Ų042.5 Ų42.50%024%0.237CC..EExtended strand (participates in β ladder)trans-125.8130.5173.8-173.20000107.8L90 I124 S125 V126 V139 F148 G149 I151 F156L90-V137 HydrophobicContact CD2-CG1 4.03Å; L90-V137 HydrophobicContact CD2-CG2 4.07Å; I124-V137 HydrophobicContact CD1-CG1 3.9Å; I124-V137 HydrophobicContact CG1-CG1 3.87Å; S125-V137 WeakPolarHBondContact O-CA 3.16Å; V126-V137 HydrophobicContact CG2-CG1 4.2Å; V126-V137 HydrophobicContact CG2-CG2 4.14Å; V137-V139 HydrophobicContact CG1-CG2 3.94Å; V137-F148 WeakPolarHBondContact O-CA 3.47Å; V137-F148 WeakPolarHBondContact O-CD2 3.47Å; V137-G149 PolarHBondContact N-O 2.95Å; V137-G149 PolarHBondContact O-N 3.46Å; V137-I151 HydrophobicContact CG2-CB 3.81Å; V137-I151 HydrophobicContact CG2-CG2 4.18Å; V137-F156 HydrophobicContact CB-CE2 4Å; V137-F156 HydrophobicContact CG2-CE2 4.4Å
138L97.7Very high88.1Confident0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-110.5131.8170.4-17865.2000109I124 S125 L146 F148 W162 T180 M182 V190I124-L138 CarbonylContact C-O 3.48Å; I124-L138 WeakPolarHBondContact CA-O 3.42Å; S125-L138 PolarHBondContact N-O 2.69Å; S125-L138 PolarHBondContact O-N 3.48Å; L138-L146 HydrophobicContact CD1-CB 4.2Å; L138-L146 HydrophobicContact CD1-CD2 4.09Å; L138-L146 HydrophobicContact CD2-CD2 4.4Å; L138-L146 HydrophobicContact CG-CD2 4.29Å; L138-F148 HydrophobicContact CD1-CB 4.49Å; L138-W162 HydrophobicContact CD1-CH2 3.74Å; L138-W162 HydrophobicContact CD1-CZ2 4.49Å; L138-W162 HydrophobicContact CD1-CZ3 4.41Å; L138-T180 HydrophobicContact CD2-CG2 3.91Å; L138-T180 HydrophobicContact CG-CG2 3.87Å; L138-M182 HydrophobicContact CB-CG 4.21Å; L138-M182 HydrophobicContact CB-SD 4.46Å; L138-V190 HydrophobicContact CD2-CB 3.66Å; L138-V190 HydrophobicContact CD2-CG1 4.17Å; L138-V190 HydrophobicContact CD2-CG2 3.79Å
139V98.4Very high88.6Confident0 Ų038.4 Ų38.40%022%0.219CC..EExtended strand (participates in β ladder)trans-127.4135.5-179.5178.90000109.1V92 L98 I116 L121 S123 I124 V137 L146 H147V92-V139 HydrophobicContact CG1-CG1 3.95Å; V92-V139 HydrophobicContact CG1-CG2 4.48Å; L98-V139 HydrophobicContact CD1-CG2 4.36Å; I116-V139 HydrophobicContact CD1-CG2 4.31Å; L121-V139 HydrophobicContact CB-CG1 4.18Å; L121-V139 HydrophobicContact CD1-CG1 3.87Å; L121-V139 HydrophobicContact CD2-CG1 3.6Å; L121-V139 HydrophobicContact CG-CG1 4.06Å; S123-V139 WeakPolarHBondContact O-CA 3.41Å; I124-V139 HydrophobicContact CG1-CG2 4.32Å; V137-V139 HydrophobicContact CG1-CG2 3.94Å; V139-L146 CarbonylContact O-C 3.49Å; V139-L146 WeakPolarHBondContact O-CA 3.15Å; V139-H147 HydrophobicContact CB-CB 4.3Å; V139-H147 PolarHBondContact N-O 3.45Å; V139-H147 PolarHBondContact O-N 2.94Å
140G98.4Very high89.4Confident0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-104.2151.1169.200000111.9T122 S123 N145T122-G140 PolarHBondContact N-O 3.22Å; T122-G140 PolarHBondContact OG1-O 3Å; S123-G140 PolarHBondContact N-O 3.17Å; S123-G140 PolarHBondContact O-N 3.29Å; S123-G140 WeakPolarHBondContact OG-CA 3.45Å; S123-G140 PolarHBondContact OG-N 3.49Å; G140-N145 WeakPolarHBondContact CA-O 3.44Å
141D98.3Very high90.7Very high1 Ų136.9 Ų36.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-119.7168.3176.181.69.7000113.8V117 T119 S120 L121 L143 G144 N145 H147 T177V117-D141 HydrophobicContact CG2-CB 4.28Å; T119-D141 HydrophobicContact CG2-CB 3.99Å; S120-D141 WeakPolarHBondContact O-CA 3.42Å; L121-D141 HydrophobicContact CD2-CB 3.92Å; D141-L143 PolarHBondContact O-N 3.46Å; D141-L143 VanDerWaalsContact OD1-CA 3.25Å; D141-L143 WeakPolarHBondContact OD1-CA 3.41Å; D141-L143 PolarHBondContact OD1-N 3.5Å; D141-G144 PolarHBondContact O-N 3.31Å; D141-G144 PolarHBondContact OD1-N 2.7Å; D141-N145 PolarHBondContact N-O 2.78Å; D141-N145 PolarHBondContact OD1-N 3.45Å; D141-N145 PolarHBondContact OD1-ND2 2.88Å; D141-N145 WeakPolarHBondContact OD2-CB 3.28Å; D141-N145 PolarHBondContact OD2-ND2 2.89Å; D141-H147 IonicContact OD2-CE1 3.2Å; D141-H147 IonicContact OD2-NE2 2.8Å; D141-H147 PolarHBondContact OD2-NE2 3.33Å; D141-T177 PolarHBondContact O-N 2.75Å
142A97.2Very high91.7Very high30 Ų3031 Ų3125%0.24817%0.174CC..THydrogen-bonded Turntrans-69.1-7.2177.500000114.2S120 T122S120-A142 WeakPolarHBondContact O-CB 3.28Å; S120-A142 PolarHBondContact O-N 2.88Å; T122-A142 HydrophobicContact CG2-CB 3.92Å
143L96.9Very high92.5Very high92 Ų9234.2 Ų34.248%0.48220%0.196SC..THydrogen-bonded Turntrans-110.823.2178.4-62179.5000111.6T119 D141 N145 N174T119-L143 HydrophobicContact CG2-CB 4.47Å; T119-L143 HydrophobicContact CG2-CD1 3.88Å; T119-L143 HydrophobicContact CG2-CG 3.91Å; D141-L143 PolarHBondContact O-N 3.46Å; D141-L143 VanDerWaalsContact OD1-CA 3.25Å; D141-L143 WeakPolarHBondContact OD1-CA 3.41Å; D141-L143 PolarHBondContact OD1-N 3.5Å; L143-N145 PolarHBondContact O-N 3.34Å; L143-N145 PolarHBondContact O-ND2 3.31Å; L143-N174 WeakPolarHBondContact O-CB 3.24Å; L143-N174 PolarHBondContact O-ND2 3.08Å
144G96.8Very high93.3Very high0 Ų034.3 Ų34.30%019%0.188CC..SBendtrans72.910.717200000115.6D141 G164 H165 C175 T177D141-G144 PolarHBondContact O-N 3.31Å; D141-G144 PolarHBondContact OD1-N 2.7Å; G144-G164 WeakPolarHBondContact O-CA 3.35Å; G144-G164 PolarHBondContact O-N 2.93Å; G144-H165 PolarHBondContact O-N 2.93Å; G144-C175 WeakPolarHBondContact CA-O 3.22Å; G144-C175 PolarHBondContact N-O 2.99Å; G144-T177 WeakPolarHBondContact CA-OG1 2.92Å
145N97.3Very high94.1Very high37 Ų3733.9 Ų33.920%0.19819%0.189CC..EExtended strand (participates in β ladder)trans-90.5153177.1-48.4-67.3000111.4G140 D141 L143 W162 T177G140-N145 WeakPolarHBondContact CA-O 3.44Å; D141-N145 PolarHBondContact N-O 2.78Å; D141-N145 PolarHBondContact OD1-N 3.45Å; D141-N145 PolarHBondContact OD1-ND2 2.88Å; D141-N145 WeakPolarHBondContact OD2-CB 3.28Å; D141-N145 PolarHBondContact OD2-ND2 2.89Å; L143-N145 PolarHBondContact O-N 3.34Å; L143-N145 PolarHBondContact O-ND2 3.31Å; N145-W162 CarbonylContact C-O 3.53Å; N145-W162 VanDerWaalsContact CA-O 3.24Å; N145-W162 WeakPolarHBondContact CA-O 3.27Å; N145-T177 PolarHBondContact O-OG1 2.81Å
146L97.9Very high94.3Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-114.4138.6170.6-70.2164.2000108.4L138 V139 S161 W162 T177 T180 W202L138-L146 HydrophobicContact CD1-CB 4.2Å; L138-L146 HydrophobicContact CD1-CD2 4.09Å; L138-L146 HydrophobicContact CD2-CD2 4.4Å; L138-L146 HydrophobicContact CG-CD2 4.29Å; V139-L146 CarbonylContact O-C 3.49Å; V139-L146 WeakPolarHBondContact O-CA 3.15Å; L146-S161 CarbonylContact O-C 3.56Å; L146-S161 WeakPolarHBondContact O-CA 3.47Å; L146-S161 WeakPolarHBondContact O-CB 3.44Å; L146-W162 HydrophobicContact CB-CD2 3.84Å; L146-W162 HydrophobicContact CB-CE3 4Å; L146-W162 HydrophobicContact CB-CH2 3.72Å; L146-W162 HydrophobicContact CB-CZ2 3.55Å; L146-W162 HydrophobicContact CB-CZ3 3.93Å; L146-W162 HydrophobicContact CD1-CH2 4.35Å; L146-W162 HydrophobicContact CD1-CZ2 3.44Å; L146-W162 VanDerWaalsContact CD1-CZ2 3.44Å; L146-W162 HydrophobicContact CG-CZ2 4.11Å; L146-W162 PolarHBondContact N-O 3.01Å; L146-W162 PolarHBondContact O-N 3.49Å; L146-T177 HydrophobicContact CD2-CG2 3.72Å; L146-T177 HydrophobicContact CG-CG2 4.47Å; L146-T180 HydrophobicContact CD2-CG2 3.56Å; L146-W202 HydrophobicContact CD1-CZ2 3.97Å
147H97.5Very high94.3Very high6 Ų638.6 Ų38.63%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-125.1120179.2-48.1-86.9000108.5I116 V117 V139 D141 S161I116-H147 HydrophobicContact CG2-CB 3.87Å; I116-H147 VanDerWaalsContact CG2-CG 3.48Å; V117-H147 WeakPolarHBondContact CG1-CE1 3.1Å; V139-H147 HydrophobicContact CB-CB 4.3Å; V139-H147 PolarHBondContact N-O 3.45Å; V139-H147 PolarHBondContact O-N 2.94Å; D141-H147 IonicContact OD2-CE1 3.2Å; D141-H147 IonicContact OD2-NE2 2.8Å; D141-H147 PolarHBondContact OD2-NE2 3.33Å; H147-S161 VanDerWaalsContact ND1-CB 3.32Å; H147-S161 WeakPolarHBondContact ND1-CB 3.39Å; H147-S161 PolarHBondContact ND1-OG 3.17Å
148F96.8Very high94.1Very high14 Ų1441.7 Ų41.76%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-108.7140.5175.9-179.3-102.5000110V137 L138 D159 F160 W162 M182 L204V137-F148 WeakPolarHBondContact O-CA 3.47Å; V137-F148 WeakPolarHBondContact O-CD2 3.47Å; L138-F148 HydrophobicContact CD1-CB 4.49Å; F148-D159 HydrophobicContact CD1-CB 4.1Å; F148-D159 WeakPolarHBondContact O-CB 3.41Å; F148-D159 PolarHBondContact O-N 3.36Å; F148-F160 HydrophobicContact CB-CD2 4.25Å; F148-F160 HydrophobicContact CB-CE2 3.8Å; F148-F160 HydrophobicContact CB-CZ 4.07Å; F148-F160 AromaticContact CD1-CE1 3.81Å; F148-F160 HydrophobicContact CD1-CE1 3.81Å; F148-F160 HydrophobicContact CD1-CE2 4.22Å; F148-F160 AromaticContact CD1-CZ 3.6Å; F148-F160 HydrophobicContact CD1-CZ 3.6Å; F148-F160 HydrophobicContact CE1-CZ 4.45Å; F148-F160 HydrophobicContact CG-CE2 4.33Å; F148-F160 HydrophobicContact CG-CZ 4.11Å; F148-F160 PolarHBondContact N-O 2.98Å; F148-F160 PolarHBondContact O-N 2.98Å; F148-W162 HydrophobicContact CB-CH2 4.41Å; F148-W162 HydrophobicContact CB-CZ3 3.95Å; F148-M182 HydrophobicContact CE2-CE 3.83Å; F148-L204 HydrophobicContact CB-CD2 4.34Å; F148-L204 HydrophobicContact CD1-CD1 4.48Å; F148-L204 HydrophobicContact CD1-CD2 4.49Å; F148-L204 HydrophobicContact CD2-CD1 3.76Å; F148-L204 HydrophobicContact CD2-CD2 4.11Å; F148-L204 HydrophobicContact CE1-CD1 4.22Å; F148-L204 HydrophobicContact CE2-CD1 3.45Å; F148-L204 VanDerWaalsContact CE2-CD1 3.45Å; F148-L204 HydrophobicContact CG-CD1 4.26Å; F148-L204 HydrophobicContact CG-CD2 4.04Å; F148-L204 HydrophobicContact CZ-CD1 3.71Å
149G95.4Very high93.9Very high0 Ų044.1 Ų44.10%024%0.24CC..EExtended strand (participates in β ladder)trans-164.8-170175.500000112.2G136 V137 Q157G136-G149 CarbonylContact C-O 3.55Å; G136-G149 WeakPolarHBondContact CA-O 3.31Å; V137-G149 PolarHBondContact N-O 2.95Å; V137-G149 PolarHBondContact O-N 3.46Å; G149-Q157 CarbonylContact C-O 3.44Å; G149-Q157 WeakPolarHBondContact CA-O 3.06Å
150R93.9Very high93.7Very high103 Ų10347.1 Ų47.139%0.38925%0.253SS..EExtended strand (participates in β ladder)trans-122.3134.8-179.1-64.9-172.1-175.775.214.8111.6N134 F156 Q157 D159N134-R150 HydrophobicContact CB-CB 4.19Å; R150-F156 WeakPolarHBondContact O-CA 3.48Å; R150-Q157 PolarHBondContact N-O 3.12Å; R150-Q157 PolarHBondContact O-N 2.89Å; R150-D159 IonicContact CZ-OD2 3.22Å; R150-D159 IonicContact NH1-OD1 3.08Å; R150-D159 PolarHBondContact NH1-OD1 2.95Å; R150-D159 VanDerWaalsContact NH1-OD1 3.08Å; R150-D159 IonicContact NH1-OD2 2.64Å; R150-D159 PolarHBondContact NH1-OD2 2.79Å; R150-D159 IonicContact NH2-OD2 3.29Å; R150-D159 PolarHBondContact NH2-OD2 2.93Å
151I91.7Very high93.6Very high13 Ų1350 Ų507%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-86.2127.7172.7-164.465.5000110.1L84 L90 F112 N134 S135 V137L84-I151 HydrophobicContact CD1-CD1 4.44Å; L84-I151 HydrophobicContact CD1-CG1 3.87Å; L90-I151 HydrophobicContact CD1-CD1 4.01Å; L90-I151 HydrophobicContact CD2-CD1 4.24Å; F112-I151 HydrophobicContact CE1-CD1 4.22Å; F112-I151 HydrophobicContact CZ-CD1 3.6Å; N134-I151 WeakPolarHBondContact CA-O 3.31Å; N134-I151 VanDerWaalsContact CB-O 3.3Å; N134-I151 WeakPolarHBondContact CB-O 3.34Å; S135-I151 WeakPolarHBondContact O-CG2 3.36Å; S135-I151 PolarHBondContact O-N 2.83Å; V137-I151 HydrophobicContact CG2-CB 3.81Å; V137-I151 HydrophobicContact CG2-CG2 4.18Å
152G88.2Confident93.5Very high18 Ų1850.7 Ų50.719%0.18628%0.276CS..  trans-108.2-174.816600000110.7E154 T155G152-E154 VanDerWaalsContact C-N 3.3Å; G152-E154 PolarHBondContact O-N 2.92Å; G152-T155 PolarHBondContact N-O 3.18Å
153T81.7Confident93.5Very high138 Ų13851.5 Ų51.585%0.84728%0.279SS*.SBendtrans-59.3-37.2-175.8-500000113.4
154E83.1Confident93.4Very high132 Ų13247.1 Ų47.162%0.61726%0.256SS*.SBendtrans-14219-179.2-62.5-176.6169.900112.2F112 G152F112-E154 VanDerWaalsContact CD1-O 3.25Å; F112-E154 WeakPolarHBondContact CD1-O 3.32Å; F112-E154 VanDerWaalsContact CE1-C 3.5Å; G152-E154 VanDerWaalsContact C-N 3.3Å; G152-E154 PolarHBondContact O-N 2.92Å
155T90Very high93.4Very high86 Ų8647.1 Ų47.153%0.52826%0.256SS..  trans-141.8148.4-171.8600000110.4G152G152-T155 PolarHBondContact N-O 3.18Å
156F93.6Very high93.3Very high16 Ų1649.5 Ų49.57%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-117.5122.7163172.1-107.2000108.6L98 F112 I114 I116 V137 R150L98-F156 HydrophobicContact CD2-CB 3.89Å; L98-F156 HydrophobicContact CD2-CD1 3.81Å; L98-F156 HydrophobicContact CD2-CD2 3.54Å; L98-F156 HydrophobicContact CD2-CE1 4.18Å; L98-F156 HydrophobicContact CD2-CE2 3.95Å; L98-F156 HydrophobicContact CD2-CG 3.46Å; L98-F156 VanDerWaalsContact CD2-CG 3.46Å; L98-F156 HydrophobicContact CD2-CZ 4.24Å; F112-F156 HydrophobicContact CE2-CB 4.27Å; F112-F156 HydrophobicContact CZ-CB 4.45Å; I114-F156 HydrophobicContact CD1-CB 3.63Å; I114-F156 HydrophobicContact CG2-CD1 4.43Å; I116-F156 HydrophobicContact CD1-CD1 4.26Å; I116-F156 HydrophobicContact CD1-CE1 3.68Å; I116-F156 HydrophobicContact CD1-CZ 4.26Å; I116-F156 HydrophobicContact CG1-CE1 4.17Å; V137-F156 HydrophobicContact CB-CE2 4Å; V137-F156 HydrophobicContact CG2-CE2 4.4Å; R150-F156 WeakPolarHBondContact O-CA 3.48Å
157Q93.4Very high93Very high124 Ų12450.9 Ų50.958%0.57927%0.27SS*.EExtended strand (participates in β ladder)trans-98.2109.2173.5-177.7177.6-9.400108.5G149 R150 D159G149-Q157 CarbonylContact C-O 3.44Å; G149-Q157 WeakPolarHBondContact CA-O 3.06Å; R150-Q157 PolarHBondContact N-O 3.12Å; R150-Q157 PolarHBondContact O-N 2.89Å; Q157-D159 PolarHBondContact O-N 3.22Å
158S92.1Very high92.1Very high65 Ų6555.6 Ų55.646%0.45530%0.299SS..EExtended strand (participates in β ladder)trans-69.5126.2170.7-173.50000109.6
159D93.3Very high91Very high51 Ų5162.1 Ų62.127%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-92.4-55.1177.8-77.91.9000110.3F148 R150 Q157F148-D159 HydrophobicContact CD1-CB 4.1Å; F148-D159 WeakPolarHBondContact O-CB 3.41Å; F148-D159 PolarHBondContact O-N 3.36Å; R150-D159 IonicContact CZ-OD2 3.22Å; R150-D159 IonicContact NH1-OD1 3.08Å; R150-D159 PolarHBondContact NH1-OD1 2.95Å; R150-D159 VanDerWaalsContact NH1-OD1 3.08Å; R150-D159 IonicContact NH1-OD2 2.64Å; R150-D159 PolarHBondContact NH1-OD2 2.79Å; R150-D159 IonicContact NH2-OD2 3.29Å; R150-D159 PolarHBondContact NH2-OD2 2.93Å; Q157-D159 PolarHBondContact O-N 3.22Å
160F95.3Very high89.7Confident63 Ų6365.5 Ų65.528%0.27636%0.358SS..EExtended strand (participates in β ladder)trans-162.1165-178.951-96.9000112F148 W162 L204 V208F148-F160 HydrophobicContact CB-CD2 4.25Å; F148-F160 HydrophobicContact CB-CE2 3.8Å; F148-F160 HydrophobicContact CB-CZ 4.07Å; F148-F160 AromaticContact CD1-CE1 3.81Å; F148-F160 HydrophobicContact CD1-CE1 3.81Å; F148-F160 HydrophobicContact CD1-CE2 4.22Å; F148-F160 AromaticContact CD1-CZ 3.6Å; F148-F160 HydrophobicContact CD1-CZ 3.6Å; F148-F160 HydrophobicContact CE1-CZ 4.45Å; F148-F160 HydrophobicContact CG-CE2 4.33Å; F148-F160 HydrophobicContact CG-CZ 4.11Å; F148-F160 PolarHBondContact N-O 2.98Å; F148-F160 PolarHBondContact O-N 2.98Å; F160-W162 AromaticContact CD2-CE3 3.79Å; F160-W162 HydrophobicContact CD2-CE3 3.79Å; F160-W162 AromaticContact CD2-CZ3 3.75Å; F160-W162 HydrophobicContact CD2-CZ3 3.75Å; F160-W162 AromaticContact CE2-CE3 3.98Å; F160-W162 HydrophobicContact CE2-CE3 3.98Å; F160-W162 HydrophobicContact CE2-CH2 4.33Å; F160-W162 AromaticContact CE2-CZ3 3.55Å; F160-W162 HydrophobicContact CE2-CZ3 3.55Å; F160-L204 HydrophobicContact CE2-CD2 4.15Å; F160-L204 HydrophobicContact CZ-CB 4.4Å; F160-L204 HydrophobicContact CZ-CD2 4.07Å; F160-V208 HydrophobicContact CD2-CG1 4.31Å; F160-V208 HydrophobicContact CD2-CG2 3.75Å; F160-V208 HydrophobicContact CE2-CB 4.36Å; F160-V208 HydrophobicContact CE2-CG1 3.62Å; F160-V208 HydrophobicContact CE2-CG2 3.95Å; F160-V208 HydrophobicContact CZ-CG1 4.21Å
161S96Very high88.7Confident62 Ų6263 Ų6343%0.43437%0.365SS..EExtended strand (participates in β ladder)trans-139.9152.6176.7-49.20000110.8L146 H147L146-S161 CarbonylContact O-C 3.56Å; L146-S161 WeakPolarHBondContact O-CA 3.47Å; L146-S161 WeakPolarHBondContact O-CB 3.44Å; H147-S161 VanDerWaalsContact ND1-CB 3.32Å; H147-S161 WeakPolarHBondContact ND1-CB 3.39Å; H147-S161 PolarHBondContact ND1-OG 3.17Å
162W96.5Very high87.9Confident15 Ų1567 Ų676%0.05739%0.394CS..EExtended strand (participates in β ladder)trans-151.6158.6179.770.1102.4000111.6L138 N145 L146 F148 F160 G164 W202 L204 V208L138-W162 HydrophobicContact CD1-CH2 3.74Å; L138-W162 HydrophobicContact CD1-CZ2 4.49Å; L138-W162 HydrophobicContact CD1-CZ3 4.41Å; N145-W162 CarbonylContact C-O 3.53Å; N145-W162 VanDerWaalsContact CA-O 3.24Å; N145-W162 WeakPolarHBondContact CA-O 3.27Å; L146-W162 HydrophobicContact CB-CD2 3.84Å; L146-W162 HydrophobicContact CB-CE3 4Å; L146-W162 HydrophobicContact CB-CH2 3.72Å; L146-W162 HydrophobicContact CB-CZ2 3.55Å; L146-W162 HydrophobicContact CB-CZ3 3.93Å; L146-W162 HydrophobicContact CD1-CH2 4.35Å; L146-W162 HydrophobicContact CD1-CZ2 3.44Å; L146-W162 VanDerWaalsContact CD1-CZ2 3.44Å; L146-W162 HydrophobicContact CG-CZ2 4.11Å; L146-W162 PolarHBondContact N-O 3.01Å; L146-W162 PolarHBondContact O-N 3.49Å; F148-W162 HydrophobicContact CB-CH2 4.41Å; F148-W162 HydrophobicContact CB-CZ3 3.95Å; F160-W162 AromaticContact CD2-CE3 3.79Å; F160-W162 HydrophobicContact CD2-CE3 3.79Å; F160-W162 AromaticContact CD2-CZ3 3.75Å; F160-W162 HydrophobicContact CD2-CZ3 3.75Å; F160-W162 AromaticContact CE2-CE3 3.98Å; F160-W162 HydrophobicContact CE2-CE3 3.98Å; F160-W162 HydrophobicContact CE2-CH2 4.33Å; F160-W162 AromaticContact CE2-CZ3 3.55Å; F160-W162 HydrophobicContact CE2-CZ3 3.55Å; W162-G164 PolarHBondContact O-N 3.31Å; W162-W202 AromaticContact CD1-CZ3 3.7Å; W162-W202 HydrophobicContact CZ2-CB 4.41Å; W162-W202 HydrophobicContact CZ2-CD2 4.17Å; W162-W202 HydrophobicContact CZ2-CE3 4.49Å; W162-W202 HydrophobicContact CZ2-CG 4.12Å; W162-W202 AromaticContact NE1-CD2 3.6Å; W162-W202 AromaticContact NE1-CE2 3.84Å; W162-W202 AromaticContact NE1-CE3 3.29Å; W162-W202 VanDerWaalsContact NE1-CE3 3.29Å; W162-W202 AromaticContact NE1-CH2 3.58Å; W162-W202 AromaticContact NE1-CZ2 3.85Å; W162-W202 AromaticContact NE1-CZ3 3.28Å; W162-W202 VanDerWaalsContact NE1-CZ3 3.28Å; W162-L204 HydrophobicContact CH2-CD2 4.01Å; W162-V208 HydrophobicContact CB-CB 4.46Å; W162-V208 HydrophobicContact CB-CG2 3.85Å; W162-V208 HydrophobicContact CD2-CB 3.76Å; W162-V208 HydrophobicContact CD2-CG2 3.73Å; W162-V208 HydrophobicContact CE3-CB 4.05Å; W162-V208 HydrophobicContact CE3-CG1 4.49Å; W162-V208 HydrophobicContact CE3-CG2 3.73Å; W162-V208 HydrophobicContact CG-CB 3.97Å; W162-V208 HydrophobicContact CG-CG2 3.82Å; W162-V208 PolarHBondContact NE1-O 2.9Å
163C95.2Very high87.8Confident46 Ų4674.6 Ų74.631%0.31142%0.417SS..EExtended strand (participates in β ladder)trans-76.1114.1171.8-177.90000109.2
164G96.2Very high88.3Confident0 Ų071.9 Ų71.90%040%0.398CS..  trans-91.6-42179.100000112.8G144 W162 K200G144-G164 WeakPolarHBondContact O-CA 3.35Å; G144-G164 PolarHBondContact O-N 2.93Å; W162-G164 PolarHBondContact O-N 3.31Å; G164-K200 VanDerWaalsContact O-CD 3.27Å; G164-K200 WeakPolarHBondContact O-CD 3.3Å; G164-K200 PolarHBondContact O-NZ 3Å
165H96.8Very high88.8Confident0 Ų066 Ų660%037%0.371CS..  trans-134136.2-168.4-67.4-89.2000113G144 C175 S192 G194 D196 Q198G144-H165 PolarHBondContact O-N 2.93Å; H165-C175 PolarHBondContact O-N 3.32Å; H165-S192 WeakPolarHBondContact NE2-CB 3.28Å; H165-S192 PolarHBondContact NE2-OG 2.89Å; H165-G194 PolarHBondContact CE1-N 2.9Å; H165-G194 VanDerWaalsContact CE1-N 3.34Å; H165-D196 IonicContact CE1-OD1 3.32Å; H165-D196 IonicContact CG-OD1 3.72Å; H165-D196 IonicContact CG-OD2 3.4Å; H165-D196 VanDerWaalsContact ND1-CG 3.29Å; H165-D196 IonicContact ND1-OD1 3.09Å; H165-D196 PolarHBondContact ND1-OD1 3.09Å; H165-D196 IonicContact ND1-OD2 3.64Å; H165-D196 PolarHBondContact ND1-OD2 2.78Å; H165-D196 VanDerWaalsContact ND1-OD2 3.09Å; H165-Q198 PolarHBondContact CE1-O 2.8Å
166W94.8Very high89.1Confident88 Ų8865 Ų6533%0.33336%0.36SS..EExtended strand (participates in β ladder)trans-156.7145.1177.862.490000110.7R173 D196W166-R173 CarbonylContact C-O 3.49Å; W166-R173 VanDerWaalsContact CA-O 3.3Å; W166-R173 WeakPolarHBondContact CA-O 3.35Å; W166-R173 WeakPolarHBondContact CB-O 3.26Å; W166-D196 WeakPolarHBondContact O-CB 3.39Å
167L90.7Very high89.3Confident29 Ų2964.2 Ų64.215%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-71.6137.1172.7-57.2177.7000109.7Y169 S172 R173 C175 D196L167-Y169 HydrophobicContact CB-CD1 4.48Å; L167-Y169 HydrophobicContact CB-CE1 4.28Å; L167-Y169 HydrophobicContact CD1-CE2 4.1Å; L167-Y169 HydrophobicContact CD2-CE1 3.94Å; L167-Y169 HydrophobicContact CG-CE1 4.5Å; L167-S172 WeakPolarHBondContact O-CA 3.48Å; L167-R173 PolarHBondContact N-O 2.92Å; L167-C175 HydrophobicContact CD1-CB 4.46Å; L167-C175 HydrophobicContact CD2-CB 3.95Å; L167-C175 HydrophobicContact CG-CB 3.84Å; L167-D196 HydrophobicContact CD2-CB 4.33Å
168T78.6Confident89.5Confident104 Ų10459 Ų5964%0.63833%0.332SS*.SBendtrans-90.8-10175.853.90000113.1
169Y74.7Confident89.8Confident152 Ų15256 Ų5660%0.59631%0.312SS*.SBendtrans-104.9150.7177.757.6-92000111.3L167L167-Y169 HydrophobicContact CB-CD1 4.48Å; L167-Y169 HydrophobicContact CB-CE1 4.28Å; L167-Y169 HydrophobicContact CD1-CE2 4.1Å; L167-Y169 HydrophobicContact CD2-CE1 3.94Å; L167-Y169 HydrophobicContact CG-CE1 4.5Å
170G68.9Low90.1Very high70 Ų7054 Ų5472%0.72230%0.302SS*.SBendtrans78.119.7175.100000116.1
171G71.2Confident90.2Very high52 Ų5252.3 Ų52.354%0.53629%0.294SS..SBendtrans82.6120.5-17000000109.3R173G171-R173 WeakPolarHBondContact O-CG 3.47Å; G171-R173 PolarHBondContact O-N 2.8Å
172S75.2Confident90.2Very high95 Ų9549.8 Ų49.866%0.66428%0.276SS*.  trans-49.6109.2-171.9-61.20000111.8L167L167-S172 WeakPolarHBondContact O-CA 3.48Å
173R86.9Confident90.1Very high179 Ų17949.6 Ų49.668%0.67528%0.276SS*.EExtended strand (participates in β ladder)trans-123.2134.1179.5-77.4173-166.9-146.81.5107.6W166 L167 G171W166-R173 CarbonylContact C-O 3.49Å; W166-R173 VanDerWaalsContact CA-O 3.3Å; W166-R173 WeakPolarHBondContact CA-O 3.35Å; W166-R173 WeakPolarHBondContact CB-O 3.26Å; L167-R173 PolarHBondContact N-O 2.92Å; G171-R173 WeakPolarHBondContact O-CG 3.47Å; G171-R173 PolarHBondContact O-N 2.8Å
174N91Very high89.9Confident81 Ų8149.6 Ų49.643%0.43327%0.269SS..EExtended strand (participates in β ladder)trans-58.4147.9172-60.510.2000110L143L143-N174 WeakPolarHBondContact O-CB 3.24Å; L143-N174 PolarHBondContact O-ND2 3.08Å
175C94.7Very high89.7Confident8 Ų853.6 Ų53.65%0.05429%0.291CS..  trans-132.6163176.7590000110.4G144 H165 L167 T177 D195G144-C175 WeakPolarHBondContact CA-O 3.22Å; G144-C175 PolarHBondContact N-O 2.99Å; H165-C175 PolarHBondContact O-N 3.32Å; L167-C175 HydrophobicContact CD1-CB 4.46Å; L167-C175 HydrophobicContact CD2-CB 3.95Å; L167-C175 HydrophobicContact CG-CB 3.84Å; C175-T177 PolarHBondContact O-N 3.14Å; C175-D195 HydrophobicContact CB-CB 4.11Å
176E96.8Very high89.4Confident65 Ų6556.4 Ų56.430%0.30431%0.306SS..  trans-57.2134.1-172-174.9165.7-174.200113.2T122 M178 G194 D195T122-E176 WeakPolarHBondContact CB-OE1 3.3Å; T122-E176 HydrophobicContact CG2-CG 3.89Å; T122-E176 WeakPolarHBondContact CG2-OE1 3.46Å; E176-M178 HydrophobicContact CB-SD 3.84Å; E176-M178 HydrophobicContact CG-CG 4.43Å; E176-M178 HydrophobicContact CG-SD 3.41Å; E176-M178 WeakPolarHBondContact CG-SD 3.49Å; E176-M178 PolarHBondContact O-N 2.96Å; E176-G194 VanDerWaalsContact O-CA 3.24Å; E176-G194 WeakPolarHBondContact O-CA 3.36Å; E176-D195 PolarHBondContact O-N 3.18Å
177T98.1Very high89.2Confident0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-84.295.1166.8-56.70000108.7T122 S123 D141 G144 N145 L146 C175 T180 G193T122-T177 PolarHBondContact OG1-O 2.74Å; S123-T177 PolarHBondContact OG-O 3.1Å; D141-T177 PolarHBondContact O-N 2.75Å; G144-T177 WeakPolarHBondContact CA-OG1 2.92Å; N145-T177 PolarHBondContact O-OG1 2.81Å; L146-T177 HydrophobicContact CD2-CG2 3.72Å; L146-T177 HydrophobicContact CG-CG2 4.47Å; C175-T177 PolarHBondContact O-N 3.14Å; T177-T180 HydrophobicContact CG2-CG2 4.12Å; T177-G193 CarbonylContact C-O 3.52Å
178M97.7Very high89.2Confident13 Ų1356.2 Ų56.26%0.06431%0.309CS..EExtended strand (participates in β ladder)trans-72.9-32.1-171.4-61.3-59.5-65.600113.6K80 E176 G193 I222 Y238 W264K80-M178 PolarHBondContact NZ-O 2.89Å; E176-M178 HydrophobicContact CB-SD 3.84Å; E176-M178 HydrophobicContact CG-CG 4.43Å; E176-M178 HydrophobicContact CG-SD 3.41Å; E176-M178 WeakPolarHBondContact CG-SD 3.49Å; E176-M178 PolarHBondContact O-N 2.96Å; M178-G193 PolarHBondContact N-O 3.31Å; M178-I222 WeakPolarHBondContact CB-O 3.15Å; M178-I222 WeakPolarHBondContact CG-O 3.38Å; M178-Y238 HydrophobicContact CE-CE2 4.24Å; M178-W264 HydrophobicContact CE-CH2 3.45Å; M178-W264 VanDerWaalsContact CE-CH2 3.45Å; M178-W264 HydrophobicContact CE-CZ2 4.2Å; M178-W264 HydrophobicContact CE-CZ3 4.09Å
179C98.5Very high90Very high4 Ų452.3 Ų52.33%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-149.6150.8-178.5580000112.6S192 G193C179-S192 CarbonylContact O-C 3.55Å; C179-S192 VanDerWaalsContact O-CA 3.32Å; C179-S192 WeakPolarHBondContact O-CA 3.27Å; C179-G193 PolarHBondContact N-O 2.88Å; C179-G193 PolarHBondContact O-N 3.46Å
180T98.5Very high91Very high9 Ų945.1 Ų45.16%0.05526%0.256CS..EExtended strand (participates in β ladder)trans-136.3140.4177.649.40000107.8S123 I124 S125 L138 L146 T177 Y191S123-T180 WeakPolarHBondContact OG-CG2 3.45Å; I124-T180 VanDerWaalsContact C-OG1 3.29Å; I124-T180 PolarHBondContact N-OG1 2.95Å; S125-T180 WeakPolarHBondContact CB-O 3.22Å; S125-T180 PolarHBondContact N-OG1 2.96Å; S125-T180 PolarHBondContact OG-O 3.47Å; L138-T180 HydrophobicContact CD2-CG2 3.91Å; L138-T180 HydrophobicContact CG-CG2 3.87Å; L146-T180 HydrophobicContact CD2-CG2 3.56Å; T177-T180 HydrophobicContact CG2-CG2 4.12Å; T180-Y191 WeakPolarHBondContact CA-O 3.25Å
181E97.6Very high92.4Very high26 Ų2642.1 Ų42.112%0.12122%0.223CC..EExtended strand (participates in β ladder)trans-143.2132.1176.1-176.766.1173.600109Y191 L225 D227E181-Y191 PolarHBondContact N-O 2.97Å; E181-Y191 PolarHBondContact O-N 2.89Å; E181-L225 HydrophobicContact CB-CB 3.97Å; E181-D227 HydrophobicContact CG-CB 3.96Å; E181-D227 PolarHBondContact OE1-N 3.42Å; E181-D227 VanDerWaalsContact OE1-N 3.08Å
182M96Very high93.7Very high9 Ų939.6 Ų39.64%0.04420%0.197CC..EExtended strand (participates in β ladder)trans-92.1135.9173.7-61.9-166.472.600108.9S125 S127 G136 L138 F148 R184 V190 L204S125-M182 WeakPolarHBondContact OG-CG 3.05Å; S125-M182 PolarHBondContact OG-N 2.83Å; S127-M182 PolarHBondContact N-SD 3.48Å; G136-M182 VanDerWaalsContact O-SD 3.4Å; L138-M182 HydrophobicContact CB-CG 4.21Å; L138-M182 HydrophobicContact CB-SD 4.46Å; F148-M182 HydrophobicContact CE2-CE 3.83Å; M182-R184 PolarHBondContact O-N 3.26Å; M182-V190 HydrophobicContact CB-CG1 4.29Å; M182-V190 HydrophobicContact CE-CG1 3.83Å; M182-V190 HydrophobicContact CG-CG1 3.91Å; M182-L204 HydrophobicContact CE-CD1 4.31Å
183D94.6Very high94.8Very high11 Ų1135.1 Ų35.16%0.05917%0.166CC..  trans-62.7127.8177.4-174.3-61.6000109.8N185 N186 I189 Y191 K247D183-N185 VanDerWaalsContact C-N 3.31Å; D183-N185 PolarHBondContact O-N 3.09Å; D183-N185 VanDerWaalsContact OD1-CA 3.3Å; D183-N185 WeakPolarHBondContact OD1-CA 3.4Å; D183-N185 WeakPolarHBondContact OD1-CB 3.09Å; D183-N185 PolarHBondContact OD1-N 3.4Å; D183-N186 HydrophobicContact CB-CB 4.5Å; D183-N186 PolarHBondContact OD1-N 2.78Å; D183-I189 HydrophobicContact CB-CB 3.89Å; D183-I189 HydrophobicContact CB-CG2 4.11Å; D183-I189 VanDerWaalsContact CB-O 3.3Å; D183-I189 WeakPolarHBondContact CB-O 3.25Å; D183-I189 PolarHBondContact N-O 2.9Å; D183-Y191 HydrophobicContact CB-CE2 3.78Å; D183-Y191 PolarHBondContact OD2-OH 2.81Å; D183-K247 VanDerWaalsContact CG-NZ 3.33Å; D183-K247 IonicContact OD1-NZ 3.38Å; D183-K247 PolarHBondContact OD1-NZ 3.08Å; D183-K247 VanDerWaalsContact OD2-CD 3.31Å; D183-K247 WeakPolarHBondContact OD2-CD 3.46Å; D183-K247 IonicContact OD2-NZ 3.01Å; D183-K247 PolarHBondContact OD2-NZ 2.81Å
184R91.8Very high95.4Very high46 Ų4626.6 Ų26.617%0.17413%0.133CC..SBendtrans-72.2-27.2-175.7-69-171179.6-143.9-3.2112.9Q129 M182 D227 A229 E271Q129-R184 PolarHBondContact NE2-O 3.45Å; M182-R184 PolarHBondContact O-N 3.26Å; R184-D227 WeakPolarHBondContact CD-O 3.42Å; R184-D227 HydrophobicContact CG-CB 4.16Å; R184-D227 PolarHBondContact N-OD2 3.45Å; R184-D227 PolarHBondContact NE-O 3.38Å; R184-A229 HydrophobicContact CB-CB 4.35Å; R184-E271 IonicContact CZ-OE2 3.39Å; R184-E271 PolarHBondContact NH1-O 3.16Å; R184-E271 IonicContact NH1-OE2 3.08Å; R184-E271 PolarHBondContact NH1-OE2 2.95Å; R184-E271 IonicContact NH2-OE2 3.04Å; R184-E271 PolarHBondContact NH2-OE2 2.82Å
185N90.2Very high95.6Very high85 Ų8525.8 Ų25.846%0.45513%0.129SC..SBendtrans-96.2-16.7-177.6-60.1-27.6000112.8Q129 D183 S230Q129-N185 VanDerWaalsContact NE2-C 3.31Å; D183-N185 VanDerWaalsContact C-N 3.31Å; D183-N185 PolarHBondContact O-N 3.09Å; D183-N185 VanDerWaalsContact OD1-CA 3.3Å; D183-N185 WeakPolarHBondContact OD1-CA 3.4Å; D183-N185 WeakPolarHBondContact OD1-CB 3.09Å; D183-N185 PolarHBondContact OD1-N 3.4Å; N185-S230 PolarHBondContact ND2-O 2.68Å; N185-S230 VanDerWaalsContact ND2-O 3.14Å
186N91.5Very high95.7Very high58 Ų5826 Ų2631%0.3113%0.13SC..  trans-141104.4-179.4-172.5-17.1000113D183 F188 I189D183-N186 HydrophobicContact CB-CB 4.5Å; D183-N186 PolarHBondContact OD1-N 2.78Å; N186-F188 PolarHBondContact O-N 3.08Å; N186-F188 PolarHBondContact OD1-N 2.89Å; N186-F188 VanDerWaalsContact OD1-N 3.07Å; N186-I189 HydrophobicContact CB-CB 4.35Å; N186-I189 HydrophobicContact CB-CG1 4.13Å; N186-I189 WeakPolarHBondContact ND2-CG1 3.33Å; N186-I189 PolarHBondContact O-N 2.84Å
187A89.8Confident95.7Very high16 Ų1624.5 Ų24.513%0.13213%0.126CC..THydrogen-bonded Turntrans-63.3-10.9-17800000116Q129 L132Q129-A187 HydrophobicContact CG-CB 4.48Å; Q129-A187 VanDerWaalsContact NE2-N 3.11Å; L132-A187 HydrophobicContact CD1-CB 3.45Å; L132-A187 VanDerWaalsContact CD1-CB 3.45Å
188F91.8Very high95.7Very high98 Ų9825.7 Ų25.743%0.4313%0.132SC..THydrogen-bonded Turntrans-93.1-10.8176-57.9-65.7000113N186 D203 L204 R205N186-F188 PolarHBondContact O-N 3.08Å; N186-F188 PolarHBondContact OD1-N 2.89Å; N186-F188 VanDerWaalsContact OD1-N 3.07Å; F188-D203 CarbonylContact O-C 3.56Å; F188-D203 WeakPolarHBondContact O-CA 3.46Å; F188-L204 PolarHBondContact O-N 2.84Å; F188-R205 HydrophobicContact CB-CG 4.02Å; F188-R205 HydrophobicContact CD1-CG 3.32Å; F188-R205 HydrophobicContact CD2-CG 4.47Å; F188-R205 HydrophobicContact CE1-CG 3.82Å; F188-R205 VanDerWaalsContact CG-CD 3.45Å; F188-R205 HydrophobicContact CG-CG 3.68Å
189I94.7Very high95.7Very high22 Ų2225.1 Ų25.111%0.11313%0.129CC..EExtended strand (participates in β ladder)trans-103.4131-179.3-57.5-61.3000109.5D183 N186 Y191 W202 D203 L212D183-I189 HydrophobicContact CB-CB 3.89Å; D183-I189 HydrophobicContact CB-CG2 4.11Å; D183-I189 VanDerWaalsContact CB-O 3.3Å; D183-I189 WeakPolarHBondContact CB-O 3.25Å; D183-I189 PolarHBondContact N-O 2.9Å; N186-I189 HydrophobicContact CB-CB 4.35Å; N186-I189 HydrophobicContact CB-CG1 4.13Å; N186-I189 WeakPolarHBondContact ND2-CG1 3.33Å; N186-I189 PolarHBondContact O-N 2.84Å; I189-Y191 HydrophobicContact CG2-CE1 4.01Å; I189-Y191 HydrophobicContact CG2-CE2 4.3Å; I189-W202 WeakPolarHBondContact CA-O 3.35Å; I189-D203 HydrophobicContact CD1-CB 4.22Å; I189-L212 HydrophobicContact CD1-CD1 3.58Å
190V96.8Very high95.7Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-135.1157.2173.9-58.30000110.8L138 M182 S201 W202 L204L138-V190 HydrophobicContact CD2-CB 3.66Å; L138-V190 HydrophobicContact CD2-CG1 4.17Å; L138-V190 HydrophobicContact CD2-CG2 3.79Å; M182-V190 HydrophobicContact CB-CG1 4.29Å; M182-V190 HydrophobicContact CE-CG1 3.83Å; M182-V190 HydrophobicContact CG-CG1 3.91Å; V190-S201 CarbonylContact O-C 3.59Å; V190-S201 WeakPolarHBondContact O-CA 3.35Å; V190-W202 HydrophobicContact CG2-CB 3.78Å; V190-W202 HydrophobicContact CG2-CG 4.23Å; V190-W202 PolarHBondContact N-O 3.22Å; V190-W202 VanDerWaalsContact N-O 3.08Å; V190-W202 PolarHBondContact O-N 3.49Å; V190-L204 HydrophobicContact CG1-CD1 3.7Å; V190-L204 HydrophobicContact CG1-CD2 4.33Å; V190-L204 HydrophobicContact CG1-CG 4.08Å; V190-L204 HydrophobicContact CG2-CD2 3.87Å; V190-L204 HydrophobicContact CG2-CG 4.21Å
191Y98.1Very high95.6Very high7 Ų724.9 Ų24.93%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-122.8146.6-179.5-50.2-75.1000110.5T180 E181 D183 I189 W199 K200 L233 K247T180-Y191 WeakPolarHBondContact CA-O 3.25Å; E181-Y191 PolarHBondContact N-O 2.97Å; E181-Y191 PolarHBondContact O-N 2.89Å; D183-Y191 HydrophobicContact CB-CE2 3.78Å; D183-Y191 PolarHBondContact OD2-OH 2.81Å; I189-Y191 HydrophobicContact CG2-CE1 4.01Å; I189-Y191 HydrophobicContact CG2-CE2 4.3Å; Y191-W199 HydrophobicContact CD1-CE3 4.43Å; Y191-W199 HydrophobicContact CD1-CZ3 4.12Å; Y191-W199 HydrophobicContact CE1-CZ3 4.47Å; Y191-K200 VanDerWaalsContact CA-O 3.25Å; Y191-K200 WeakPolarHBondContact CA-O 3.35Å; Y191-L233 HydrophobicContact CD1-CD2 3.78Å; Y191-L233 HydrophobicContact CD2-CD1 3.97Å; Y191-L233 HydrophobicContact CD2-CD2 4.19Å; Y191-L233 HydrophobicContact CE1-CD2 3.99Å; Y191-L233 HydrophobicContact CE2-CD1 4.24Å; Y191-L233 HydrophobicContact CE2-CD2 4.37Å; Y191-L233 HydrophobicContact CG-CD1 4.36Å; Y191-L233 HydrophobicContact CG-CD2 3.88Å; Y191-K247 HydrophobicContact CE2-CD 4.42Å; Y191-K247 WeakPolarHBondContact OH-CD 3.4Å
192S98.5Very high95.6Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-141144.2173.166.30000110.5H165 C179 W199 K200 W202H165-S192 WeakPolarHBondContact NE2-CB 3.28Å; H165-S192 PolarHBondContact NE2-OG 2.89Å; C179-S192 CarbonylContact O-C 3.55Å; C179-S192 VanDerWaalsContact O-CA 3.32Å; C179-S192 WeakPolarHBondContact O-CA 3.27Å; S192-W199 CarbonylContact O-C 3.52Å; S192-W199 WeakPolarHBondContact O-CA 3.25Å; S192-W199 WeakPolarHBondContact O-CB 3.26Å; S192-K200 PolarHBondContact N-O 2.92Å; S192-K200 PolarHBondContact O-N 2.77Å; S192-W202 PolarHBondContact OG-NE1 2.84Å
193G98.5Very high95.5Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-124.9143.5175.300000110.1T177 M178 C179 Q198T177-G193 CarbonylContact C-O 3.52Å; M178-G193 PolarHBondContact N-O 3.31Å; C179-G193 PolarHBondContact N-O 2.88Å; C179-G193 PolarHBondContact O-N 3.46Å; G193-Q198 WeakPolarHBondContact CA-O 3.26Å
194G97.7Very high95.5Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-141.3177.5-176.800000113.7H165 E176 D196 C197 Q198 G221 I222H165-G194 PolarHBondContact CE1-N 2.9Å; H165-G194 VanDerWaalsContact CE1-N 3.34Å; E176-G194 VanDerWaalsContact O-CA 3.24Å; E176-G194 WeakPolarHBondContact O-CA 3.36Å; G194-D196 PolarHBondContact O-N 2.84Å; G194-C197 PolarHBondContact O-N 2.82Å; G194-Q198 PolarHBondContact N-O 3.45Å; G194-Q198 VanDerWaalsContact N-O 3.12Å; G194-G221 WeakPolarHBondContact O-CA 3.04Å; G194-I222 PolarHBondContact O-N 3.38Å
195D96.4Very high95.5Very high65 Ų6529.3 Ų29.335%0.34814%0.144SC..THydrogen-bonded Turntrans-71.8-4.1178-163.443000112.9C175 E176 C197C175-D195 HydrophobicContact CB-CB 4.11Å; E176-D195 PolarHBondContact O-N 3.18Å; D195-C197 PolarHBondContact O-N 2.96Å
196D96.7Very high95.4Very high11 Ų1129.6 Ų29.66%0.05915%0.145CC..THydrogen-bonded Turntrans-76.814.8171.361.5-7000114.2H165 W166 L167 G194 Q198 K200H165-D196 IonicContact CE1-OD1 3.32Å; H165-D196 IonicContact CG-OD1 3.72Å; H165-D196 IonicContact CG-OD2 3.4Å; H165-D196 VanDerWaalsContact ND1-CG 3.29Å; H165-D196 IonicContact ND1-OD1 3.09Å; H165-D196 PolarHBondContact ND1-OD1 3.09Å; H165-D196 IonicContact ND1-OD2 3.64Å; H165-D196 PolarHBondContact ND1-OD2 2.78Å; H165-D196 VanDerWaalsContact ND1-OD2 3.09Å; W166-D196 WeakPolarHBondContact O-CB 3.39Å; L167-D196 HydrophobicContact CD2-CB 4.33Å; G194-D196 PolarHBondContact O-N 2.84Å; D196-Q198 WeakPolarHBondContact O-CG 3.31Å; D196-Q198 PolarHBondContact O-N 2.95Å; D196-Q198 PolarHBondContact OD1-N 2.9Å; D196-K200 IonicContact OD2-NZ 2.91Å; D196-K200 PolarHBondContact OD2-NZ 2.85Å
197C96.7Very high94.7Very high35 Ų3531.9 Ų31.924%0.23616%0.163CC..SBendtrans57.323.7-174.5-44.50000113.9G194 D195 A220G194-C197 PolarHBondContact O-N 2.82Å; D195-C197 PolarHBondContact O-N 2.96Å; C197-A220 VanDerWaalsContact CA-O 3.27Å; C197-A220 WeakPolarHBondContact CA-O 3.35Å; C197-A220 WeakPolarHBondContact CB-O 3.34Å; C197-A220 WeakPolarHBondContact SG-CA 3.34Å
198Q97.3Very high93.8Very high25 Ų2532 Ų3212%0.11716%0.162CC..  trans-126.2142.8-174.1-68168.131.400110.9H165 G193 G194 D196 K200 V214 N215 K216 I222H165-Q198 PolarHBondContact CE1-O 2.8Å; G193-Q198 WeakPolarHBondContact CA-O 3.26Å; G194-Q198 PolarHBondContact N-O 3.45Å; G194-Q198 VanDerWaalsContact N-O 3.12Å; D196-Q198 WeakPolarHBondContact O-CG 3.31Å; D196-Q198 PolarHBondContact O-N 2.95Å; D196-Q198 PolarHBondContact OD1-N 2.9Å; Q198-K200 VanDerWaalsContact OE1-CE 3.25Å; Q198-V214 HydrophobicContact CB-CG1 4.4Å; Q198-V214 HydrophobicContact CG-CG1 4.17Å; Q198-N215 WeakPolarHBondContact CA-O 3.36Å; Q198-N215 WeakPolarHBondContact CB-O 3.44Å; Q198-N215 WeakPolarHBondContact CG-O 3.42Å; Q198-K216 HydrophobicContact CG-CG 3.95Å; Q198-I222 VanDerWaalsContact C-CG1 3.4Å; Q198-I222 VanDerWaalsContact O-CG1 3.31Å; Q198-I222 WeakPolarHBondContact O-CG1 3.07Å
199W98.1Very high93.1Very high0 Ų038.1 Ų38.10%018%0.182CC..EExtended strand (participates in β ladder)trans-112.1146.3155.969.1-100.1000110.2Y191 S192 Y213 N215 I222 L225 L233 W245 L250Y191-W199 HydrophobicContact CD1-CE3 4.43Å; Y191-W199 HydrophobicContact CD1-CZ3 4.12Å; Y191-W199 HydrophobicContact CE1-CZ3 4.47Å; S192-W199 CarbonylContact O-C 3.52Å; S192-W199 WeakPolarHBondContact O-CA 3.25Å; S192-W199 WeakPolarHBondContact O-CB 3.26Å; W199-Y213 AromaticContact CH2-CD1 3.92Å; W199-Y213 HydrophobicContact CH2-CD1 3.92Å; W199-Y213 HydrophobicContact CH2-CE1 4.01Å; W199-Y213 HydrophobicContact CZ2-CE1 4.27Å; W199-Y213 HydrophobicContact CZ3-CD1 4.06Å; W199-N215 HydrophobicContact CD2-CB 3.47Å; W199-N215 VanDerWaalsContact CD2-CB 3.47Å; W199-N215 HydrophobicContact CE3-CB 4.17Å; W199-N215 HydrophobicContact CG-CB 3.72Å; W199-N215 HydrophobicContact CH2-CB 4.27Å; W199-N215 HydrophobicContact CZ2-CB 3.62Å; W199-N215 VanDerWaalsContact CZ2-ND2 3.28Å; W199-N215 WeakPolarHBondContact CZ2-ND2 3.29Å; W199-N215 PolarHBondContact NE1-ND2 3.22Å; W199-N215 PolarHBondContact NE1-OD1 2.85Å; W199-N215 WeakPolarHBondContact O-CB 3.23Å; W199-N215 PolarHBondContact O-N 3.28Å; W199-I222 HydrophobicContact CB-CG1 4.19Å; W199-I222 HydrophobicContact CB-CG2 4.4Å; W199-L225 HydrophobicContact CB-CD1 4.09Å; W199-L225 HydrophobicContact CB-CD2 3.93Å; W199-L225 HydrophobicContact CB-CG 4.5Å; W199-L225 HydrophobicContact CD2-CD2 4.39Å; W199-L225 HydrophobicContact CG-CD2 3.98Å; W199-L233 HydrophobicContact CE3-CD2 4.24Å; W199-L233 HydrophobicContact CH2-CD2 4.14Å; W199-L233 HydrophobicContact CZ2-CD2 4.47Å; W199-L233 HydrophobicContact CZ3-CD2 4.02Å; W199-W245 HydrophobicContact CZ2-CB 4.47Å; W199-W245 AromaticContact CZ2-CD2 3.79Å; W199-W245 HydrophobicContact CZ2-CD2 3.79Å; W199-W245 HydrophobicContact CZ2-CE3 4.12Å; W199-W245 AromaticContact CZ2-CG 3.92Å; W199-W245 HydrophobicContact CZ2-CG 3.92Å; W199-W245 AromaticContact NE1-CE2 3.96Å; W199-W245 AromaticContact NE1-NE1 3.81Å; W199-L250 HydrophobicContact CH2-CD1 3.79Å; W199-L250 HydrophobicContact CH2-CD2 3.62Å; W199-L250 HydrophobicContact CH2-CG 4.17Å; W199-L250 HydrophobicContact CZ2-CD2 4.26Å; W199-L250 HydrophobicContact CZ3-CD1 4.23Å
200K97.8Very high92.8Very high3 Ų345.4 Ų45.41%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-128.5145.6-171.8-67.5168.2178.3152.70109.2G164 Y191 S192 D196 Q198 W202 P211 Y213 V214G164-K200 VanDerWaalsContact O-CD 3.27Å; G164-K200 WeakPolarHBondContact O-CD 3.3Å; G164-K200 PolarHBondContact O-NZ 3Å; Y191-K200 VanDerWaalsContact CA-O 3.25Å; Y191-K200 WeakPolarHBondContact CA-O 3.35Å; S192-K200 PolarHBondContact N-O 2.92Å; S192-K200 PolarHBondContact O-N 2.77Å; D196-K200 IonicContact OD2-NZ 2.91Å; D196-K200 PolarHBondContact OD2-NZ 2.85Å; Q198-K200 VanDerWaalsContact OE1-CE 3.25Å; K200-W202 HydrophobicContact CB-CH2 4.48Å; K200-W202 HydrophobicContact CB-CZ2 3.56Å; K200-W202 HydrophobicContact CD-CH2 3.92Å; K200-W202 HydrophobicContact CD-CZ2 3.52Å; K200-W202 HydrophobicContact CG-CZ2 4.13Å; K200-P211 HydrophobicContact CB-CB 4.06Å; K200-P211 HydrophobicContact CD-CG 4.47Å; K200-P211 HydrophobicContact CG-CB 4.32Å; K200-Y213 WeakPolarHBondContact CA-O 3.23Å; K200-V214 HydrophobicContact CG-CG1 4.27Å; K200-V214 HydrophobicContact CG-CG2 4.23Å
201S97.2Very high92.7Very high6 Ų646.3 Ų46.34%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-107.4147.3167.564.70000110.5V190 P211 L212 Y213V190-S201 CarbonylContact O-C 3.59Å; V190-S201 WeakPolarHBondContact O-CA 3.35Å; S201-P211 CarbonylContact O-C 3.58Å; S201-P211 WeakPolarHBondContact O-CA 3.24Å; S201-P211 WeakPolarHBondContact O-CB 3.4Å; S201-L212 PolarHBondContact O-N 3.07Å; S201-Y213 PolarHBondContact N-O 2.58Å; S201-Y213 WeakPolarHBondContact OG-CB 3.35Å; S201-Y213 PolarHBondContact OG-N 2.84Å
202W97.2Very high92.5Very high2 Ų250.3 Ų50.31%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-135.9142-173.3-45.587.2000109.7L146 W162 I189 V190 S192 K200 P211L146-W202 HydrophobicContact CD1-CZ2 3.97Å; W162-W202 AromaticContact CD1-CZ3 3.7Å; W162-W202 HydrophobicContact CZ2-CB 4.41Å; W162-W202 HydrophobicContact CZ2-CD2 4.17Å; W162-W202 HydrophobicContact CZ2-CE3 4.49Å; W162-W202 HydrophobicContact CZ2-CG 4.12Å; W162-W202 AromaticContact NE1-CD2 3.6Å; W162-W202 AromaticContact NE1-CE2 3.84Å; W162-W202 AromaticContact NE1-CE3 3.29Å; W162-W202 VanDerWaalsContact NE1-CE3 3.29Å; W162-W202 AromaticContact NE1-CH2 3.58Å; W162-W202 AromaticContact NE1-CZ2 3.85Å; W162-W202 AromaticContact NE1-CZ3 3.28Å; W162-W202 VanDerWaalsContact NE1-CZ3 3.28Å; I189-W202 WeakPolarHBondContact CA-O 3.35Å; V190-W202 HydrophobicContact CG2-CB 3.78Å; V190-W202 HydrophobicContact CG2-CG 4.23Å; V190-W202 PolarHBondContact N-O 3.22Å; V190-W202 VanDerWaalsContact N-O 3.08Å; V190-W202 PolarHBondContact O-N 3.49Å; S192-W202 PolarHBondContact OG-NE1 2.84Å; K200-W202 HydrophobicContact CB-CH2 4.48Å; K200-W202 HydrophobicContact CB-CZ2 3.56Å; K200-W202 HydrophobicContact CD-CH2 3.92Å; K200-W202 HydrophobicContact CD-CZ2 3.52Å; K200-W202 HydrophobicContact CG-CZ2 4.13Å; W202-P211 HydrophobicContact CD2-CB 4.22Å; W202-P211 HydrophobicContact CE3-CB 3.91Å; W202-P211 HydrophobicContact CH2-CB 4.01Å; W202-P211 HydrophobicContact CH2-CG 4.3Å; W202-P211 HydrophobicContact CZ2-CB 4.32Å; W202-P211 HydrophobicContact CZ3-CB 3.8Å; W202-P211 HydrophobicContact CZ3-CG 4.23Å
203D94.8Very high92.4Very high15 Ų1553.7 Ų53.78%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-101.7114.5167.4-166.1-39.3000108.8F188 I189 R205 L206 L212F188-D203 CarbonylContact O-C 3.56Å; F188-D203 WeakPolarHBondContact O-CA 3.46Å; I189-D203 HydrophobicContact CD1-CB 4.22Å; D203-R205 PolarHBondContact O-N 2.85Å; D203-R205 VanDerWaalsContact O-N 3.13Å; D203-R205 VanDerWaalsContact OD1-CB 3.24Å; D203-R205 WeakPolarHBondContact OD1-CB 3.13Å; D203-R205 WeakPolarHBondContact OD1-CG 3.17Å; D203-R205 IonicContact OD1-CZ 3.46Å; D203-R205 PolarHBondContact OD1-N 3.15Å; D203-R205 IonicContact OD1-NE 3.38Å; D203-R205 PolarHBondContact OD1-NE 2.86Å; D203-R205 IonicContact OD1-NH2 2.7Å; D203-R205 IonicContact OD2-CZ 3.97Å; D203-R205 IonicContact OD2-NE 3.71Å; D203-R205 PolarHBondContact OD2-NE 3.44Å; D203-R205 IonicContact OD2-NH2 3.75Å; D203-R205 PolarHBondContact OD2-NH2 2.94Å; D203-L206 HydrophobicContact CB-CB 4.24Å; D203-L206 HydrophobicContact CB-CD1 3.88Å; D203-L206 HydrophobicContact CB-CG 3.87Å; D203-L206 PolarHBondContact O-N 3.41Å; D203-L206 VanDerWaalsContact O-N 3.12Å; D203-L212 HydrophobicContact CB-CD1 3.82Å; D203-L212 HydrophobicContact CB-CD2 4.11Å; D203-L212 HydrophobicContact CB-CG 4Å
204L93.7Very high92.3Very high17 Ų1756 Ų569%0.08927%0.268CS..THydrogen-bonded Turntrans-65.6-12.5-178.7-63.4176.8000113.4F148 F160 W162 M182 F188 V190F148-L204 HydrophobicContact CB-CD2 4.34Å; F148-L204 HydrophobicContact CD1-CD1 4.48Å; F148-L204 HydrophobicContact CD1-CD2 4.49Å; F148-L204 HydrophobicContact CD2-CD1 3.76Å; F148-L204 HydrophobicContact CD2-CD2 4.11Å; F148-L204 HydrophobicContact CE1-CD1 4.22Å; F148-L204 HydrophobicContact CE2-CD1 3.45Å; F148-L204 VanDerWaalsContact CE2-CD1 3.45Å; F148-L204 HydrophobicContact CG-CD1 4.26Å; F148-L204 HydrophobicContact CG-CD2 4.04Å; F148-L204 HydrophobicContact CZ-CD1 3.71Å; F160-L204 HydrophobicContact CE2-CD2 4.15Å; F160-L204 HydrophobicContact CZ-CB 4.4Å; F160-L204 HydrophobicContact CZ-CD2 4.07Å; W162-L204 HydrophobicContact CH2-CD2 4.01Å; M182-L204 HydrophobicContact CE-CD1 4.31Å; F188-L204 PolarHBondContact O-N 2.84Å; V190-L204 HydrophobicContact CG1-CD1 3.7Å; V190-L204 HydrophobicContact CG1-CD2 4.33Å; V190-L204 HydrophobicContact CG1-CG 4.08Å; V190-L204 HydrophobicContact CG2-CD2 3.87Å; V190-L204 HydrophobicContact CG2-CG 4.21Å
205R91.3Very high92.3Very high150 Ų15056 Ų5657%0.56627%0.268SS*.THydrogen-bonded Turntrans-87.7-23.3176-55.2168.7-66.5-178.93.8112.5F188 D203F188-R205 HydrophobicContact CB-CG 4.02Å; F188-R205 HydrophobicContact CD1-CG 3.32Å; F188-R205 HydrophobicContact CD2-CG 4.47Å; F188-R205 HydrophobicContact CE1-CG 3.82Å; F188-R205 VanDerWaalsContact CG-CD 3.45Å; F188-R205 HydrophobicContact CG-CG 3.68Å; D203-R205 PolarHBondContact O-N 2.85Å; D203-R205 VanDerWaalsContact O-N 3.13Å; D203-R205 VanDerWaalsContact OD1-CB 3.24Å; D203-R205 WeakPolarHBondContact OD1-CB 3.13Å; D203-R205 WeakPolarHBondContact OD1-CG 3.17Å; D203-R205 IonicContact OD1-CZ 3.46Å; D203-R205 PolarHBondContact OD1-N 3.15Å; D203-R205 IonicContact OD1-NE 3.38Å; D203-R205 PolarHBondContact OD1-NE 2.86Å; D203-R205 IonicContact OD1-NH2 2.7Å; D203-R205 IonicContact OD2-CZ 3.97Å; D203-R205 IonicContact OD2-NE 3.71Å; D203-R205 PolarHBondContact OD2-NE 3.44Å; D203-R205 IonicContact OD2-NH2 3.75Å; D203-R205 PolarHBondContact OD2-NH2 2.94Å
206L88.7Confident92.3Very high92 Ų9260 Ų6048%0.48228%0.282SS..SBendtrans-86.2158.2178.7-61.8-178.4000109.5D203 V208 L212D203-L206 HydrophobicContact CB-CB 4.24Å; D203-L206 HydrophobicContact CB-CD1 3.88Å; D203-L206 HydrophobicContact CB-CG 3.87Å; D203-L206 PolarHBondContact O-N 3.41Å; D203-L206 VanDerWaalsContact O-N 3.12Å; L206-V208 WeakPolarHBondContact O-CG1 3.03Å; L206-V208 PolarHBondContact O-N 3.21Å; L206-L212 HydrophobicContact CD1-CD2 3.88Å
207P76.8Confident92.3Very high105 Ų10563.4 Ų63.468%0.68230%0.297SS*.  trans-55.2108.5167.6-2333.7000109.3R209P207-R209 PolarHBondContact O-N 3.18Å
208V72Confident92.4Very high19 Ų1962 Ų6212%0.11529%0.287CS..THydrogen-bonded Turntrans-65.917.3-169.1-69.50000115.5F160 W162 L206F160-V208 HydrophobicContact CD2-CG1 4.31Å; F160-V208 HydrophobicContact CD2-CG2 3.75Å; F160-V208 HydrophobicContact CE2-CB 4.36Å; F160-V208 HydrophobicContact CE2-CG1 3.62Å; F160-V208 HydrophobicContact CE2-CG2 3.95Å; F160-V208 HydrophobicContact CZ-CG1 4.21Å; W162-V208 HydrophobicContact CB-CB 4.46Å; W162-V208 HydrophobicContact CB-CG2 3.85Å; W162-V208 HydrophobicContact CD2-CB 3.76Å; W162-V208 HydrophobicContact CD2-CG2 3.73Å; W162-V208 HydrophobicContact CE3-CB 4.05Å; W162-V208 HydrophobicContact CE3-CG1 4.49Å; W162-V208 HydrophobicContact CE3-CG2 3.73Å; W162-V208 HydrophobicContact CG-CB 3.97Å; W162-V208 HydrophobicContact CG-CG2 3.82Å; W162-V208 PolarHBondContact NE1-O 2.9Å; L206-V208 WeakPolarHBondContact O-CG1 3.03Å; L206-V208 PolarHBondContact O-N 3.21Å
209R75.6Confident92.3Very high226 Ų22665.6 Ų65.685%0.85332%0.315SS*.THydrogen-bonded Turntrans-81.2-14.8178.3-64.4-169.6177.4114.61.3114.1P207P207-R209 PolarHBondContact O-N 3.18Å
210K89.2Confident92.3Very high175 Ų17566.7 Ų66.776%0.76132%0.324SS*.SBendtrans-128.9122.6178.9-172.9178.4176.4-176.40109.9
211P94.5Very high92.2Very high20 Ų2066.7 Ų66.713%0.1333%0.325CS..  trans-63.7145.9173.527.2-33.8000110.4K200 S201 W202 Y213 V214K200-P211 HydrophobicContact CB-CB 4.06Å; K200-P211 HydrophobicContact CD-CG 4.47Å; K200-P211 HydrophobicContact CG-CB 4.32Å; S201-P211 CarbonylContact O-C 3.58Å; S201-P211 WeakPolarHBondContact O-CA 3.24Å; S201-P211 WeakPolarHBondContact O-CB 3.4Å; W202-P211 HydrophobicContact CD2-CB 4.22Å; W202-P211 HydrophobicContact CE3-CB 3.91Å; W202-P211 HydrophobicContact CH2-CB 4.01Å; W202-P211 HydrophobicContact CH2-CG 4.3Å; W202-P211 HydrophobicContact CZ2-CB 4.32Å; W202-P211 HydrophobicContact CZ3-CB 3.8Å; W202-P211 HydrophobicContact CZ3-CG 4.23Å; P211-Y213 VanDerWaalsContact C-N 3.29Å; P211-V214 HydrophobicContact CB-CG2 4.04Å; P211-V214 HydrophobicContact CG-CG2 3.36Å
212L94.6Very high92.3Very high90 Ų9066.4 Ų66.447%0.47132%0.323SS..SBendtrans-62.8-41.5171.1-74-178.8000110.8I189 S201 D203 L206I189-L212 HydrophobicContact CD1-CD1 3.58Å; S201-L212 PolarHBondContact O-N 3.07Å; D203-L212 HydrophobicContact CB-CD1 3.82Å; D203-L212 HydrophobicContact CB-CD2 4.11Å; D203-L212 HydrophobicContact CB-CG 4Å; L206-L212 HydrophobicContact CD1-CD2 3.88Å
213Y95.6Very high92.3Very high71 Ų7166.3 Ų66.328%0.27832%0.322SS..EExtended strand (participates in β ladder)trans-145.2145.2179.2-179.7-95.9000110.4W199 K200 S201 P211 N215 L250W199-Y213 AromaticContact CH2-CD1 3.92Å; W199-Y213 HydrophobicContact CH2-CD1 3.92Å; W199-Y213 HydrophobicContact CH2-CE1 4.01Å; W199-Y213 HydrophobicContact CZ2-CE1 4.27Å; W199-Y213 HydrophobicContact CZ3-CD1 4.06Å; K200-Y213 WeakPolarHBondContact CA-O 3.23Å; S201-Y213 PolarHBondContact N-O 2.58Å; S201-Y213 WeakPolarHBondContact OG-CB 3.35Å; S201-Y213 PolarHBondContact OG-N 2.84Å; P211-Y213 VanDerWaalsContact C-N 3.29Å; Y213-N215 HydrophobicContact CD1-CB 4.35Å; Y213-N215 HydrophobicContact CE1-CB 3.65Å; Y213-L250 HydrophobicContact CD1-CB 3.97Å; Y213-L250 HydrophobicContact CD1-CD1 3.7Å; Y213-L250 HydrophobicContact CD1-CG 4.46Å; Y213-L250 HydrophobicContact CD2-CB 4.21Å; Y213-L250 HydrophobicContact CE1-CB 3.8Å; Y213-L250 HydrophobicContact CE1-CD1 4.32Å; Y213-L250 HydrophobicContact CE2-CB 4.05Å; Y213-L250 HydrophobicContact CG-CB 4.18Å; Y213-L250 HydrophobicContact CG-CD1 3.84Å; Y213-L250 PolarHBondContact OH-O 3.37Å
214V96.5Very high92.5Very high49 Ų4966.1 Ų66.130%0.29732%0.322SS..EExtended strand (participates in β ladder)trans-123.2114.2175.6-1770000108Q198 K200 P211 K216Q198-V214 HydrophobicContact CB-CG1 4.4Å; Q198-V214 HydrophobicContact CG-CG1 4.17Å; K200-V214 HydrophobicContact CG-CG1 4.27Å; K200-V214 HydrophobicContact CG-CG2 4.23Å; P211-V214 HydrophobicContact CB-CG2 4.04Å; P211-V214 HydrophobicContact CG-CG2 3.36Å; V214-K216 HydrophobicContact CG1-CG 4.29Å
215N97.7Very high92.7Very high1 Ų165.7 Ų65.71%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-88138174.7-164.1-79.3000110.9Q198 W199 Y213 F217 W245Q198-N215 WeakPolarHBondContact CA-O 3.36Å; Q198-N215 WeakPolarHBondContact CB-O 3.44Å; Q198-N215 WeakPolarHBondContact CG-O 3.42Å; W199-N215 HydrophobicContact CD2-CB 3.47Å; W199-N215 VanDerWaalsContact CD2-CB 3.47Å; W199-N215 HydrophobicContact CE3-CB 4.17Å; W199-N215 HydrophobicContact CG-CB 3.72Å; W199-N215 HydrophobicContact CH2-CB 4.27Å; W199-N215 HydrophobicContact CZ2-CB 3.62Å; W199-N215 VanDerWaalsContact CZ2-ND2 3.28Å; W199-N215 WeakPolarHBondContact CZ2-ND2 3.29Å; W199-N215 PolarHBondContact NE1-ND2 3.22Å; W199-N215 PolarHBondContact NE1-OD1 2.85Å; W199-N215 WeakPolarHBondContact O-CB 3.23Å; W199-N215 PolarHBondContact O-N 3.28Å; Y213-N215 HydrophobicContact CD1-CB 4.35Å; Y213-N215 HydrophobicContact CE1-CB 3.65Å; N215-F217 VanDerWaalsContact OD1-CB 3.24Å; N215-F217 WeakPolarHBondContact OD1-CB 3.4Å; N215-F217 PolarHBondContact OD1-N 2.85Å; N215-W245 WeakPolarHBondContact ND2-CH2 3.18Å; N215-W245 WeakPolarHBondContact ND2-CZ2 3.46Å; N215-W245 WeakPolarHBondContact ND2-CZ3 3.39Å
216K96.5Very high93Very high149 Ų14958.7 Ų58.765%0.64829%0.293SS*.  trans-13426.9179.2-62-178.6178.8-174.40112.1Q198 V214Q198-K216 HydrophobicContact CG-CG 3.95Å; V214-K216 HydrophobicContact CG1-CG 4.29Å
217F97.4Very high93.3Very high81 Ų8154.3 Ų54.336%0.35527%0.27SS..  trans-70.2-42.6-177.1173.3-97.9000112.2N215 W245 P253 H256N215-F217 VanDerWaalsContact OD1-CB 3.24Å; N215-F217 WeakPolarHBondContact OD1-CB 3.4Å; N215-F217 PolarHBondContact OD1-N 2.85Å; F217-W245 HydrophobicContact CB-CH2 3.64Å; F217-W245 HydrophobicContact CB-CZ2 3.53Å; F217-W245 AromaticContact CD1-CZ2 3.99Å; F217-W245 HydrophobicContact CD1-CZ2 3.99Å; F217-W245 HydrophobicContact CD2-CH2 4.32Å; F217-W245 HydrophobicContact CD2-CZ2 4.4Å; F217-W245 AromaticContact CG-CH2 3.98Å; F217-W245 HydrophobicContact CG-CH2 3.98Å; F217-W245 AromaticContact CG-CZ2 3.72Å; F217-W245 HydrophobicContact CG-CZ2 3.72Å; F217-P253 HydrophobicContact CD2-CG 4.01Å; F217-P253 HydrophobicContact CE1-CG 4.45Å; F217-P253 HydrophobicContact CE2-CG 3.67Å; F217-P253 HydrophobicContact CZ-CG 3.92Å; F217-H256 HydrophobicContact CE1-CB 4.4Å; F217-H256 HydrophobicContact CZ-CB 4.28Å; F217-H256 AromaticContact CZ-CD2 3.97Å; F217-H256 AromaticContact CZ-CG 3.94Å
218H97.1Very high93.8Very high7 Ų749.3 Ų49.33%0.03224%0.238CC..  trans-73.9149-179-70.4-72.8000111.7I222 C235 S237 D239 S241 S243H218-I222 HydrophobicContact CB-CD1 3.67Å; H218-C235 VanDerWaalsContact CD2-SG 3.55Å; H218-C235 PolarHBondContact NE2-SG 3.19Å; H218-S237 WeakPolarHBondContact ND1-CB 3.43Å; H218-D239 VanDerWaalsContact CA-OD2 3.26Å; H218-D239 WeakPolarHBondContact CA-OD2 3.46Å; H218-D239 VanDerWaalsContact CB-OD2 3.26Å; H218-D239 WeakPolarHBondContact CB-OD2 3.43Å; H218-D239 IonicContact CG-OD2 3.99Å; H218-D239 IonicContact ND1-OD1 3.68Å; H218-D239 PolarHBondContact ND1-OD1 2.9Å; H218-D239 IonicContact ND1-OD2 3.48Å; H218-D239 PolarHBondContact ND1-OD2 2.92Å; H218-S241 PolarHBondContact CE1-OG 3.4Å; H218-S241 PolarHBondContact ND1-OG 3.11Å; H218-S243 PolarHBondContact CE1-OG 2.83Å; H218-S243 PolarHBondContact NE2-OG 2.92Å
219S96.6Very high94.5Very high100 Ų10049.6 Ų49.670%0.69924%0.242SC*.SBendtrans-98.3-7-178.362.20000113.5D239S219-D239 PolarHBondContact N-OD2 2.95Å; S219-D239 VanDerWaalsContact OG-CB 3.23Å; S219-D239 WeakPolarHBondContact OG-CB 3.49Å
220A97Very high95Very high23 Ų2339.7 Ų39.719%0.1921%0.207CC..SBendtrans-136.3175.717700000111.4C197 S237 D239C197-A220 VanDerWaalsContact CA-O 3.27Å; C197-A220 WeakPolarHBondContact CA-O 3.35Å; C197-A220 WeakPolarHBondContact CB-O 3.34Å; C197-A220 WeakPolarHBondContact SG-CA 3.34Å; A220-S237 PolarHBondContact O-OG 2.83Å; A220-S237 VanDerWaalsContact O-OG 3.07Å; A220-D239 HydrophobicContact CB-CB 4.07Å
221G97.1Very high95.1Very high3 Ų334.4 Ų34.43%0.03119%0.185CC..  trans-55.5140-177.800000113.2G194 S237 Y238G194-G221 WeakPolarHBondContact O-CA 3.04Å; G221-S237 VanDerWaalsContact O-CA 3.31Å; G221-S237 WeakPolarHBondContact O-CA 3.4Å; G221-S237 PolarHBondContact O-OG 2.83Å; G221-Y238 WeakPolarHBondContact O-CD2 3.28Å; G221-Y238 PolarHBondContact O-N 3.39Å
222I98.5Very high95.1Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-76.7125.9-179.8-53.6-53.7000109.3M178 G194 Q198 W199 H218 L225 S236M178-I222 WeakPolarHBondContact CB-O 3.15Å; M178-I222 WeakPolarHBondContact CG-O 3.38Å; G194-I222 PolarHBondContact O-N 3.38Å; Q198-I222 VanDerWaalsContact C-CG1 3.4Å; Q198-I222 VanDerWaalsContact O-CG1 3.31Å; Q198-I222 WeakPolarHBondContact O-CG1 3.07Å; W199-I222 HydrophobicContact CB-CG1 4.19Å; W199-I222 HydrophobicContact CB-CG2 4.4Å; H218-I222 HydrophobicContact CB-CD1 3.67Å; I222-L225 HydrophobicContact CG2-CD2 4.41Å; I222-L225 HydrophobicContact CG2-CG 4.25Å; I222-S236 WeakPolarHBondContact CG2-O 3.49Å
223T98Very high95.2Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-99.6-32.4-175.654.10000113.3S236 Y238 A262 A263 W264T223-S236 PolarHBondContact N-O 2.77Å; T223-S236 VanDerWaalsContact OG1-C 3.3Å; T223-S236 PolarHBondContact OG1-O 3.41Å; T223-Y238 HydrophobicContact CG2-CD1 3.92Å; T223-Y238 HydrophobicContact CG2-CD2 3.64Å; T223-Y238 HydrophobicContact CG2-CE1 3.95Å; T223-Y238 HydrophobicContact CG2-CE2 3.68Å; T223-Y238 HydrophobicContact CG2-CG 3.78Å; T223-A262 HydrophobicContact CG2-CB 3.81Å; T223-A263 WeakPolarHBondContact CB-O 3.42Å; T223-A263 PolarHBondContact OG1-O 3.19Å; T223-W264 HydrophobicContact CG2-CE3 4.1Å; T223-W264 HydrophobicContact CG2-CZ3 3.97Å
224C98.4Very high95.3Very high11 Ų1125.9 Ų25.97%0.07414%0.144CC..EExtended strand (participates in β ladder)trans-151.9137.7-176.6-172.30000111.5C235 S236 A263 M266C224-C235 CarbonylContact O-C 3.53Å; C224-C235 WeakPolarHBondContact O-CA 3.16Å; C224-S236 PolarHBondContact N-O 2.7Å; C224-S236 PolarHBondContact O-N 3.44Å; C224-A263 VanDerWaalsContact CB-O 3.27Å; C224-A263 WeakPolarHBondContact CB-O 3.33Å; C224-M266 HydrophobicContact CB-CE 3.69Å; C224-M266 WeakPolarHBondContact SG-CE 3.32Å
225L98.4Very high95.4Very high7 Ų723.5 Ų23.54%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-120.4137.7168.2-70.7167.2000107.6E181 W199 I222 L233 F234 C235E181-L225 HydrophobicContact CB-CB 3.97Å; W199-L225 HydrophobicContact CB-CD1 4.09Å; W199-L225 HydrophobicContact CB-CD2 3.93Å; W199-L225 HydrophobicContact CB-CG 4.5Å; W199-L225 HydrophobicContact CD2-CD2 4.39Å; W199-L225 HydrophobicContact CG-CD2 3.98Å; I222-L225 HydrophobicContact CG2-CD2 4.41Å; I222-L225 HydrophobicContact CG2-CG 4.25Å; L225-L233 HydrophobicContact CD2-CD2 4.23Å; L225-L233 HydrophobicContact CD2-CG 4.44Å; L225-F234 CarbonylContact C-O 3.58Å; L225-F234 WeakPolarHBondContact CA-O 3.28Å; L225-C235 HydrophobicContact CD2-CB 3.88Å
226F96.7Very high95.4Very high3 Ų323.5 Ų23.51%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-146.2118.8-176.7179-114.8000111.6N228 F234 M266 I277F226-N228 HydrophobicContact CD1-CB 4.35Å; F226-N228 HydrophobicContact CE1-CB 3.72Å; F226-N228 HydrophobicContact CZ-CB 4.25Å; F226-F234 HydrophobicContact CB-CB 4.41Å; F226-F234 HydrophobicContact CD1-CD2 4.15Å; F226-F234 PolarHBondContact N-O 2.93Å; F226-F234 PolarHBondContact O-N 3.4Å; F226-M266 HydrophobicContact CB-CB 3.75Å; F226-M266 HydrophobicContact CB-CE 3.86Å; F226-M266 HydrophobicContact CB-SD 4.28Å; F226-M266 HydrophobicContact CD1-CB 3.86Å; F226-M266 HydrophobicContact CD2-CB 4.45Å; F226-M266 WeakPolarHBondContact CD2-O 3.14Å; F226-M266 HydrophobicContact CG-CB 3.76Å; F226-I277 HydrophobicContact CD1-CD1 4.3Å; F226-I277 HydrophobicContact CE1-CD1 4.05Å; F226-I277 HydrophobicContact CE1-CG1 4.2Å; F226-I277 HydrophobicContact CE1-CG2 4.47Å
227D94.3Very high95.5Very high0 Ų016.4 Ų16.40%010%0.099CC..EExtended strand (participates in β ladder)trans-96.1121.4171.1-176.1-27.3000108.6E181 R184 A229 L233 K247E181-D227 HydrophobicContact CG-CB 3.96Å; E181-D227 PolarHBondContact OE1-N 3.42Å; E181-D227 VanDerWaalsContact OE1-N 3.08Å; R184-D227 WeakPolarHBondContact CD-O 3.42Å; R184-D227 HydrophobicContact CG-CB 4.16Å; R184-D227 PolarHBondContact N-OD2 3.45Å; R184-D227 PolarHBondContact NE-O 3.38Å; D227-A229 WeakPolarHBondContact OD1-CA 3.47Å; D227-A229 PolarHBondContact OD1-N 3.45Å; D227-L233 HydrophobicContact CB-CD1 4.42Å; D227-K247 IonicContact OD1-NZ 2.65Å; D227-K247 IonicContact OD2-NZ 3.4Å; D227-K247 PolarHBondContact OD2-NZ 3.23Å
228N88.5Confident95.5Very high1 Ų117.3 Ų17.31%0.00510%0.101CC..  trans-98.832-178.2-178.221.3000112.6F226 S230 F234 S268 G272 S274F226-N228 HydrophobicContact CD1-CB 4.35Å; F226-N228 HydrophobicContact CE1-CB 3.72Å; F226-N228 HydrophobicContact CZ-CB 4.25Å; N228-S230 PolarHBondContact O-N 2.68Å; N228-F234 HydrophobicContact CB-CE2 4.15Å; N228-S268 WeakPolarHBondContact OD1-CB 3.43Å; N228-S268 PolarHBondContact OD1-OG 2.97Å; N228-G272 PolarHBondContact OD1-O 2.8Å; N228-S274 PolarHBondContact ND2-O 3.28Å
229A85.6Confident95.6Very high25 Ų2518.5 Ų18.521%0.20711%0.107CC..SBendtrans58.417.5-178.400000113.8R184 D227 E271R184-A229 HydrophobicContact CB-CB 4.35Å; D227-A229 WeakPolarHBondContact OD1-CA 3.47Å; D227-A229 PolarHBondContact OD1-N 3.45Å; A229-E271 WeakPolarHBondContact CB-O 3.37Å
230S86.2Confident95.6Very high17 Ų1716.7 Ų16.712%0.1199%0.09CC..SBendtrans-106-166.5173.872.60000109.1N185 N228 V232 K247N185-S230 PolarHBondContact ND2-O 2.68Å; N185-S230 VanDerWaalsContact ND2-O 3.14Å; N228-S230 PolarHBondContact O-N 2.68Å; S230-V232 PolarHBondContact O-N 3.07Å; S230-V232 WeakPolarHBondContact OG-CB 3.38Å; S230-V232 PolarHBondContact OG-N 3.37Å; S230-V232 VanDerWaalsContact OG-N 3.08Å; S230-K247 WeakPolarHBondContact O-CE 3.39Å; S230-K247 PolarHBondContact O-NZ 3.37Å; S230-K247 VanDerWaalsContact O-NZ 3.12Å
231E91.6Very high95.6Very high64 Ų6415.9 Ų15.930%0.2998%0.082SC..SBendtrans-87.811.7171.6-59.9-68.4169.700111.8D246 K247 R248E231-D246 CarbonylContact O-C 3.54Å; E231-D246 WeakPolarHBondContact O-CA 3.34Å; E231-K247 WeakPolarHBondContact O-CG 3.24Å; E231-K247 PolarHBondContact O-N 3.14Å; E231-R248 IonicContact OE1-CZ 3.77Å; E231-R248 IonicContact OE1-NE 3.82Å; E231-R248 IonicContact OE1-NH2 2.89Å; E231-R248 PolarHBondContact OE1-NH2 3.11Å; E231-R248 IonicContact OE2-CZ 2.7Å; E231-R248 IonicContact OE2-NE 3.44Å; E231-R248 PolarHBondContact OE2-NE 3.36Å; E231-R248 IonicContact OE2-NH2 3.25Å
232V94.6Very high95.7Very high2 Ų215.7 Ų15.71%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-115.3125.3-173.4-173.80000110.3S230 F234 A244 W245S230-V232 PolarHBondContact O-N 3.07Å; S230-V232 WeakPolarHBondContact OG-CB 3.38Å; S230-V232 PolarHBondContact OG-N 3.37Å; S230-V232 VanDerWaalsContact OG-N 3.08Å; V232-F234 HydrophobicContact CB-CE2 4.19Å; V232-F234 HydrophobicContact CB-CZ 4.24Å; V232-F234 HydrophobicContact CG1-CD1 4.49Å; V232-F234 HydrophobicContact CG1-CD2 4.37Å; V232-F234 HydrophobicContact CG1-CE1 3.96Å; V232-F234 HydrophobicContact CG1-CE2 3.8Å; V232-F234 HydrophobicContact CG1-CZ 3.56Å; V232-A244 HydrophobicContact CG1-CB 3.81Å; V232-W245 CarbonylContact C-O 3.53Å; V232-W245 VanDerWaalsContact CA-O 3.25Å; V232-W245 WeakPolarHBondContact CA-O 3.4Å
233L96.6Very high95.6Very high0 Ų015.7 Ų15.70%08%0.081CC..EExtended strand (participates in β ladder)trans-99.1125.6168.2-179.569.4000109Y191 W199 L225 D227 W245 K247Y191-L233 HydrophobicContact CD1-CD2 3.78Å; Y191-L233 HydrophobicContact CD2-CD1 3.97Å; Y191-L233 HydrophobicContact CD2-CD2 4.19Å; Y191-L233 HydrophobicContact CE1-CD2 3.99Å; Y191-L233 HydrophobicContact CE2-CD1 4.24Å; Y191-L233 HydrophobicContact CE2-CD2 4.37Å; Y191-L233 HydrophobicContact CG-CD1 4.36Å; Y191-L233 HydrophobicContact CG-CD2 3.88Å; W199-L233 HydrophobicContact CE3-CD2 4.24Å; W199-L233 HydrophobicContact CH2-CD2 4.14Å; W199-L233 HydrophobicContact CZ2-CD2 4.47Å; W199-L233 HydrophobicContact CZ3-CD2 4.02Å; L225-L233 HydrophobicContact CD2-CD2 4.23Å; L225-L233 HydrophobicContact CD2-CG 4.44Å; D227-L233 HydrophobicContact CB-CD1 4.42Å; L233-W245 HydrophobicContact CB-CB 4.41Å; L233-W245 PolarHBondContact N-O 3.36Å; L233-W245 PolarHBondContact O-N 3.5Å; L233-K247 HydrophobicContact CB-CD 4.45Å; L233-K247 HydrophobicContact CB-CG 4.06Å
234F97.8Very high95.6Very high0 Ų015.7 Ų15.70%08%0.081CC..EExtended strand (participates in β ladder)trans-94.6141.6173.2-61.6-84.8000110.4L225 F226 N228 V232 L242 S243 A244 M266 I277 F289 T291 I297L225-F234 CarbonylContact C-O 3.58Å; L225-F234 WeakPolarHBondContact CA-O 3.28Å; F226-F234 HydrophobicContact CB-CB 4.41Å; F226-F234 HydrophobicContact CD1-CD2 4.15Å; F226-F234 PolarHBondContact N-O 2.93Å; F226-F234 PolarHBondContact O-N 3.4Å; N228-F234 HydrophobicContact CB-CE2 4.15Å; V232-F234 HydrophobicContact CB-CE2 4.19Å; V232-F234 HydrophobicContact CB-CZ 4.24Å; V232-F234 HydrophobicContact CG1-CD1 4.49Å; V232-F234 HydrophobicContact CG1-CD2 4.37Å; V232-F234 HydrophobicContact CG1-CE1 3.96Å; V232-F234 HydrophobicContact CG1-CE2 3.8Å; V232-F234 HydrophobicContact CG1-CZ 3.56Å; F234-L242 HydrophobicContact CD1-CD2 4.09Å; F234-S243 CarbonylContact C-O 3.38Å; F234-S243 WeakPolarHBondContact CA-O 3.49Å; F234-A244 HydrophobicContact CD1-CB 3.94Å; F234-A244 HydrophobicContact CE1-CB 3.7Å; F234-M266 HydrophobicContact CB-CE 4.07Å; F234-M266 HydrophobicContact CB-SD 3.75Å; F234-I277 HydrophobicContact CD2-CD1 3.78Å; F234-I277 HydrophobicContact CE1-CD1 4.28Å; F234-I277 HydrophobicContact CE2-CD1 3.49Å; F234-I277 VanDerWaalsContact CE2-CD1 3.49Å; F234-I277 HydrophobicContact CG-CD1 4.32Å; F234-I277 HydrophobicContact CZ-CD1 3.77Å; F234-F289 HydrophobicContact CD1-CE2 4.11Å; F234-F289 AromaticContact CD1-CZ 3.89Å; F234-F289 HydrophobicContact CD1-CZ 3.89Å; F234-F289 AromaticContact CE1-CE2 3.76Å; F234-F289 HydrophobicContact CE1-CE2 3.76Å; F234-F289 HydrophobicContact CE1-CZ 4.03Å; F234-F289 HydrophobicContact CG-CZ 4.43Å; F234-F289 HydrophobicContact CZ-CE2 4.31Å; F234-T291 HydrophobicContact CE2-CG2 4.44Å; F234-T291 HydrophobicContact CZ-CG2 3.76Å; F234-T291 WeakPolarHBondContact CZ-OG1 3.33Å; F234-I297 HydrophobicContact CD1-CD1 4.48Å; F234-I297 HydrophobicContact CE1-CD1 4.37Å; F234-I297 HydrophobicContact CE1-CG1 4.27Å
235C98.5Very high95.6Very high0 Ų015.4 Ų15.40%08%0.078CC..EExtended strand (participates in β ladder)trans-136133.3-178.5178.90000109.9H218 C224 L225 L242 S243H218-C235 VanDerWaalsContact CD2-SG 3.55Å; H218-C235 PolarHBondContact NE2-SG 3.19Å; C224-C235 CarbonylContact O-C 3.53Å; C224-C235 WeakPolarHBondContact O-CA 3.16Å; L225-C235 HydrophobicContact CD2-CB 3.88Å; C235-L242 CarbonylContact O-C 3.58Å; C235-L242 VanDerWaalsContact O-CA 3.28Å; C235-L242 WeakPolarHBondContact O-CA 3.23Å; C235-S243 PolarHBondContact N-O 3.2Å; C235-S243 PolarHBondContact O-N 3.28Å
236S98.5Very high95.5Very high0 Ų017.5 Ų17.50%09%0.089CC..EExtended strand (participates in β ladder)trans-122.8155.4171.1-166.90000111.5I222 T223 C224 S241 A263I222-S236 WeakPolarHBondContact CG2-O 3.49Å; T223-S236 PolarHBondContact N-O 2.77Å; T223-S236 VanDerWaalsContact OG1-C 3.3Å; T223-S236 PolarHBondContact OG1-O 3.41Å; C224-S236 PolarHBondContact N-O 2.7Å; C224-S236 PolarHBondContact O-N 3.44Å; S236-S241 WeakPolarHBondContact CA-O 3.39Å; S236-S241 PolarHBondContact OG-O 2.78Å; S236-A263 WeakPolarHBondContact OG-CB 3.16Å; S236-A263 PolarHBondContact OG-N 2.86Å
237S98.4Very high95.4Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans-141.9159.5-171.91640000110.9H218 A220 G221 D239 D240 S241 A262H218-S237 WeakPolarHBondContact ND1-CB 3.43Å; A220-S237 PolarHBondContact O-OG 2.83Å; A220-S237 VanDerWaalsContact O-OG 3.07Å; G221-S237 VanDerWaalsContact O-CA 3.31Å; G221-S237 WeakPolarHBondContact O-CA 3.4Å; G221-S237 PolarHBondContact O-OG 2.83Å; S237-D239 VanDerWaalsContact CB-OD1 3.28Å; S237-D239 WeakPolarHBondContact CB-OD1 3.35Å; S237-D239 PolarHBondContact O-N 2.91Å; S237-D239 VanDerWaalsContact O-N 3.09Å; S237-D239 PolarHBondContact OG-N 2.94Å; S237-D239 PolarHBondContact OG-OD1 2.81Å; S237-D239 PolarHBondContact OG-OD2 2.88Å; S237-D240 PolarHBondContact O-N 2.89Å; S237-D240 VanDerWaalsContact O-N 3.1Å; S237-S241 PolarHBondContact N-O 3.1Å; S237-A262 WeakPolarHBondContact O-CB 3.37Å
238Y97.6Very high95.3Very high100 Ų10027.2 Ų27.239%0.39213%0.127SC..THydrogen-bonded Turntrans-61.1-6.5169.7-77.9-63.5000114.7M178 G221 T223 D240 A262 W264 I282M178-Y238 HydrophobicContact CE-CE2 4.24Å; G221-Y238 WeakPolarHBondContact O-CD2 3.28Å; G221-Y238 PolarHBondContact O-N 3.39Å; T223-Y238 HydrophobicContact CG2-CD1 3.92Å; T223-Y238 HydrophobicContact CG2-CD2 3.64Å; T223-Y238 HydrophobicContact CG2-CE1 3.95Å; T223-Y238 HydrophobicContact CG2-CE2 3.68Å; T223-Y238 HydrophobicContact CG2-CG 3.78Å; Y238-D240 PolarHBondContact O-N 2.78Å; Y238-A262 HydrophobicContact CD1-CB 4.08Å; Y238-W264 HydrophobicContact CE1-CZ3 4.09Å; Y238-W264 AromaticContact CZ-CZ3 3.71Å; Y238-W264 WeakPolarHBondContact OH-CH2 3.43Å; Y238-W264 WeakPolarHBondContact OH-CZ3 3.46Å; Y238-I282 HydrophobicContact CE1-CD1 4.31Å
239D97.4Very high95.5Very high32 Ų3230 Ų3017%0.17115%0.146CC..THydrogen-bonded Turntrans-84.511.9170.563.827.7000113.4H218 S219 A220 S237 S241H218-D239 VanDerWaalsContact CA-OD2 3.26Å; H218-D239 WeakPolarHBondContact CA-OD2 3.46Å; H218-D239 VanDerWaalsContact CB-OD2 3.26Å; H218-D239 WeakPolarHBondContact CB-OD2 3.43Å; H218-D239 IonicContact CG-OD2 3.99Å; H218-D239 IonicContact ND1-OD1 3.68Å; H218-D239 PolarHBondContact ND1-OD1 2.9Å; H218-D239 IonicContact ND1-OD2 3.48Å; H218-D239 PolarHBondContact ND1-OD2 2.92Å; S219-D239 PolarHBondContact N-OD2 2.95Å; S219-D239 VanDerWaalsContact OG-CB 3.23Å; S219-D239 WeakPolarHBondContact OG-CB 3.49Å; A220-D239 HydrophobicContact CB-CB 4.07Å; S237-D239 VanDerWaalsContact CB-OD1 3.28Å; S237-D239 WeakPolarHBondContact CB-OD1 3.35Å; S237-D239 PolarHBondContact O-N 2.91Å; S237-D239 VanDerWaalsContact O-N 3.09Å; S237-D239 PolarHBondContact OG-N 2.94Å; S237-D239 PolarHBondContact OG-OD1 2.81Å; S237-D239 PolarHBondContact OG-OD2 2.88Å; D239-S241 PolarHBondContact O-N 3.05Å; D239-S241 VanDerWaalsContact OD1-CB 3.25Å; D239-S241 WeakPolarHBondContact OD1-CB 3.44Å; D239-S241 PolarHBondContact OD1-N 3.43Å; D239-S241 PolarHBondContact OD1-OG 3.19Å
240D97.1Very high95.9Very high63 Ų6329.9 Ų29.934%0.33714%0.142SC..SBendtrans62.17.7-179-56.6-27.2000115.2S237 Y238 H258 V259 G261 A262S237-D240 PolarHBondContact O-N 2.89Å; S237-D240 VanDerWaalsContact O-N 3.1Å; Y238-D240 PolarHBondContact O-N 2.78Å; D240-H258 WeakPolarHBondContact O-CA 3.21Å; D240-V259 WeakPolarHBondContact O-CG2 3.37Å; D240-V259 PolarHBondContact O-N 3.49Å; D240-G261 WeakPolarHBondContact OD1-CA 3.24Å; D240-A262 PolarHBondContact OD1-N 3.49Å; D240-A262 VanDerWaalsContact OD1-N 3.11Å
241S97.5Very high96.2Very high5 Ų534.5 Ų34.54%0.03517%0.17CC..EExtended strand (participates in β ladder)trans-87.1147173.872.60000112.2H218 S236 S237 D239 I257H218-S241 PolarHBondContact CE1-OG 3.4Å; H218-S241 PolarHBondContact ND1-OG 3.11Å; S236-S241 WeakPolarHBondContact CA-O 3.39Å; S236-S241 PolarHBondContact OG-O 2.78Å; S237-S241 PolarHBondContact N-O 3.1Å; D239-S241 PolarHBondContact O-N 3.05Å; D239-S241 VanDerWaalsContact OD1-CB 3.25Å; D239-S241 WeakPolarHBondContact OD1-CB 3.44Å; D239-S241 PolarHBondContact OD1-N 3.43Å; D239-S241 PolarHBondContact OD1-OG 3.19Å; S241-I257 CarbonylContact C-O 3.46Å; S241-I257 WeakPolarHBondContact CA-O 3.28Å
242L98.4Very high96.4Very high0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-124.5120.8169.4-171163.6000107.3F234 C235 H256 I257 V259 A263 M266 F289 I297F234-L242 HydrophobicContact CD1-CD2 4.09Å; C235-L242 CarbonylContact O-C 3.58Å; C235-L242 VanDerWaalsContact O-CA 3.28Å; C235-L242 WeakPolarHBondContact O-CA 3.23Å; L242-H256 CarbonylContact O-C 3.55Å; L242-H256 VanDerWaalsContact O-CA 3.24Å; L242-H256 WeakPolarHBondContact O-CA 3.48Å; L242-I257 HydrophobicContact CB-CG1 4.2Å; L242-I257 PolarHBondContact N-O 2.73Å; L242-I257 PolarHBondContact O-N 2.95Å; L242-V259 HydrophobicContact CB-CG1 4.21Å; L242-V259 HydrophobicContact CB-CG2 4.31Å; L242-V259 HydrophobicContact CD1-CG1 4.39Å; L242-A263 HydrophobicContact CD1-CB 4.48Å; L242-M266 HydrophobicContact CD1-SD 3.85Å; L242-M266 HydrophobicContact CG-SD 4.23Å; L242-F289 HydrophobicContact CD1-CD1 4.35Å; L242-F289 HydrophobicContact CD1-CE1 3.63Å; L242-F289 HydrophobicContact CD1-CZ 4.29Å; L242-F289 HydrophobicContact CD2-CE1 4.12Å; L242-F289 HydrophobicContact CD2-CZ 4.04Å; L242-I297 HydrophobicContact CD2-CD1 3.66Å
243S98.2Very high96.5Very high0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-117.6146.2-175.8600000111.7H218 F234 C235 W245 D255H218-S243 PolarHBondContact CE1-OG 2.83Å; H218-S243 PolarHBondContact NE2-OG 2.92Å; F234-S243 CarbonylContact C-O 3.38Å; F234-S243 WeakPolarHBondContact CA-O 3.49Å; C235-S243 PolarHBondContact N-O 3.2Å; C235-S243 PolarHBondContact O-N 3.28Å; S243-W245 PolarHBondContact OG-NE1 2.81Å; S243-D255 WeakPolarHBondContact CA-O 3.44Å
244A97.7Very high96.5Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-109.6132.4174.600000110.2V232 F234 P253 V254 D255 G295 I297V232-A244 HydrophobicContact CG1-CB 3.81Å; F234-A244 HydrophobicContact CD1-CB 3.94Å; F234-A244 HydrophobicContact CE1-CB 3.7Å; A244-P253 CarbonylContact O-C 3.59Å; A244-P253 WeakPolarHBondContact O-CA 3.32Å; A244-V254 PolarHBondContact O-N 2.52Å; A244-D255 PolarHBondContact N-O 3.07Å; A244-G295 WeakPolarHBondContact CB-O 3.24Å; A244-I297 HydrophobicContact CB-CD1 4.01Å; A244-I297 HydrophobicContact CB-CG1 4.29Å
245W97.7Very high96.5Very high4 Ų444.6 Ų44.62%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-126125-174.4-62.684.1000111.1W199 N215 F217 V232 L233 S243 K247 L250 P253W199-W245 HydrophobicContact CZ2-CB 4.47Å; W199-W245 AromaticContact CZ2-CD2 3.79Å; W199-W245 HydrophobicContact CZ2-CD2 3.79Å; W199-W245 HydrophobicContact CZ2-CE3 4.12Å; W199-W245 AromaticContact CZ2-CG 3.92Å; W199-W245 HydrophobicContact CZ2-CG 3.92Å; W199-W245 AromaticContact NE1-CE2 3.96Å; W199-W245 AromaticContact NE1-NE1 3.81Å; N215-W245 WeakPolarHBondContact ND2-CH2 3.18Å; N215-W245 WeakPolarHBondContact ND2-CZ2 3.46Å; N215-W245 WeakPolarHBondContact ND2-CZ3 3.39Å; F217-W245 HydrophobicContact CB-CH2 3.64Å; F217-W245 HydrophobicContact CB-CZ2 3.53Å; F217-W245 AromaticContact CD1-CZ2 3.99Å; F217-W245 HydrophobicContact CD1-CZ2 3.99Å; F217-W245 HydrophobicContact CD2-CH2 4.32Å; F217-W245 HydrophobicContact CD2-CZ2 4.4Å; F217-W245 AromaticContact CG-CH2 3.98Å; F217-W245 HydrophobicContact CG-CH2 3.98Å; F217-W245 AromaticContact CG-CZ2 3.72Å; F217-W245 HydrophobicContact CG-CZ2 3.72Å; V232-W245 CarbonylContact C-O 3.53Å; V232-W245 VanDerWaalsContact CA-O 3.25Å; V232-W245 WeakPolarHBondContact CA-O 3.4Å; L233-W245 HydrophobicContact CB-CB 4.41Å; L233-W245 PolarHBondContact N-O 3.36Å; L233-W245 PolarHBondContact O-N 3.5Å; S243-W245 PolarHBondContact OG-NE1 2.81Å; W245-K247 PolarHBondContact O-N 3.05Å; W245-L250 HydrophobicContact CB-CD2 4.06Å; W245-P253 HydrophobicContact CD2-CB 4.28Å; W245-P253 HydrophobicContact CH2-CB 4.12Å; W245-P253 VanDerWaalsContact CH2-CD 3.41Å; W245-P253 HydrophobicContact CH2-CG 4.16Å; W245-P253 HydrophobicContact CZ2-CB 3.9Å; W245-P253 HydrophobicContact CZ2-CG 4.21Å; W245-P253 HydrophobicContact CZ3-CB 4.45Å; W245-P253 VanDerWaalsContact CZ3-N 3.32Å
246D95.5Very high96.5Very high51 Ų5149 Ų4927%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-71113.5168.4-178.2-20.6000109E231 R248 S249 L250 V254E231-D246 CarbonylContact O-C 3.54Å; E231-D246 WeakPolarHBondContact O-CA 3.34Å; D246-R248 PolarHBondContact O-N 3.26Å; D246-R248 VanDerWaalsContact OD1-CB 3.22Å; D246-R248 WeakPolarHBondContact OD1-CB 3.33Å; D246-R248 WeakPolarHBondContact OD1-CG 3.25Å; D246-R248 PolarHBondContact OD1-N 3.09Å; D246-S249 CarbonylContact O-C 3.51Å; D246-S249 PolarHBondContact O-N 3.1Å; D246-L250 WeakPolarHBondContact O-CD2 3.32Å; D246-V254 HydrophobicContact CB-CG2 3.89Å
247K95.2Very high96.4Very high27 Ų2750.3 Ų50.312%0.11725%0.249CC..THydrogen-bonded Turntrans-56.6-23.7-177.9-65.3-170.6-66.7175.80113D183 Y191 D227 S230 E231 L233 W245D183-K247 VanDerWaalsContact CG-NZ 3.33Å; D183-K247 IonicContact OD1-NZ 3.38Å; D183-K247 PolarHBondContact OD1-NZ 3.08Å; D183-K247 VanDerWaalsContact OD2-CD 3.31Å; D183-K247 WeakPolarHBondContact OD2-CD 3.46Å; D183-K247 IonicContact OD2-NZ 3.01Å; D183-K247 PolarHBondContact OD2-NZ 2.81Å; Y191-K247 HydrophobicContact CE2-CD 4.42Å; Y191-K247 WeakPolarHBondContact OH-CD 3.4Å; D227-K247 IonicContact OD1-NZ 2.65Å; D227-K247 IonicContact OD2-NZ 3.4Å; D227-K247 PolarHBondContact OD2-NZ 3.23Å; S230-K247 WeakPolarHBondContact O-CE 3.39Å; S230-K247 PolarHBondContact O-NZ 3.37Å; S230-K247 VanDerWaalsContact O-NZ 3.12Å; E231-K247 WeakPolarHBondContact O-CG 3.24Å; E231-K247 PolarHBondContact O-N 3.14Å; L233-K247 HydrophobicContact CB-CD 4.45Å; L233-K247 HydrophobicContact CB-CG 4.06Å; W245-K247 PolarHBondContact O-N 3.05Å
248R93.1Very high96.3Very high181 Ų18156.1 Ų56.168%0.68328%0.276SS*.THydrogen-bonded Turntrans-82.4-21.5178.5-53165.9177.2-179.5-5.4112.3E231 D246E231-R248 IonicContact OE1-CZ 3.77Å; E231-R248 IonicContact OE1-NE 3.82Å; E231-R248 IonicContact OE1-NH2 2.89Å; E231-R248 PolarHBondContact OE1-NH2 3.11Å; E231-R248 IonicContact OE2-CZ 2.7Å; E231-R248 IonicContact OE2-NE 3.44Å; E231-R248 PolarHBondContact OE2-NE 3.36Å; E231-R248 IonicContact OE2-NH2 3.25Å; D246-R248 PolarHBondContact O-N 3.26Å; D246-R248 VanDerWaalsContact OD1-CB 3.22Å; D246-R248 WeakPolarHBondContact OD1-CB 3.33Å; D246-R248 WeakPolarHBondContact OD1-CG 3.25Å; D246-R248 PolarHBondContact OD1-N 3.09Å
249S92.9Very high96.2Very high58 Ų5851.4 Ų51.441%0.40626%0.257SS..  trans-145.285.7-179.7172.60000111.9D246 T251D246-S249 CarbonylContact O-C 3.51Å; D246-S249 PolarHBondContact O-N 3.1Å; S249-T251 PolarHBondContact O-N 3.45Å; S249-T251 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact OG-OG1 3.09Å
250L93.5Very high95.8Very high23 Ų2351.2 Ų51.212%0.1226%0.263CS..THydrogen-bonded Turntrans-79.516.8-177.9-60.6175.8000114.6W199 Y213 W245 D246 K252W199-L250 HydrophobicContact CH2-CD1 3.79Å; W199-L250 HydrophobicContact CH2-CD2 3.62Å; W199-L250 HydrophobicContact CH2-CG 4.17Å; W199-L250 HydrophobicContact CZ2-CD2 4.26Å; W199-L250 HydrophobicContact CZ3-CD1 4.23Å; Y213-L250 HydrophobicContact CD1-CB 3.97Å; Y213-L250 HydrophobicContact CD1-CD1 3.7Å; Y213-L250 HydrophobicContact CD1-CG 4.46Å; Y213-L250 HydrophobicContact CD2-CB 4.21Å; Y213-L250 HydrophobicContact CE1-CB 3.8Å; Y213-L250 HydrophobicContact CE1-CD1 4.32Å; Y213-L250 HydrophobicContact CE2-CB 4.05Å; Y213-L250 HydrophobicContact CG-CB 4.18Å; Y213-L250 HydrophobicContact CG-CD1 3.84Å; Y213-L250 PolarHBondContact OH-O 3.37Å; W245-L250 HydrophobicContact CB-CD2 4.06Å; D246-L250 WeakPolarHBondContact O-CD2 3.32Å; L250-K252 PolarHBondContact O-N 3.37Å
251T91.6Very high95.6Very high114 Ų11448.3 Ų48.370%0.69925%0.247SC*.THydrogen-bonded Turntrans-69.6-34.4-173.951.90000113.5S249S249-T251 PolarHBondContact O-N 3.45Å; S249-T251 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact OG-OG1 3.09Å
252K96Very high95.6Very high156 Ų15648.2 Ų48.268%0.67825%0.247SC*.SBendtrans-152.2156.4177.563.8176.2-178.3175.80109.5L250L250-K252 PolarHBondContact O-N 3.37Å
253P97.6Very high95.6Very high21 Ų2148.2 Ų48.214%0.13625%0.247CC..  trans-64.4145.7172.828.5-32.3000109.6F217 A244 W245 D255F217-P253 HydrophobicContact CD2-CG 4.01Å; F217-P253 HydrophobicContact CE1-CG 4.45Å; F217-P253 HydrophobicContact CE2-CG 3.67Å; F217-P253 HydrophobicContact CZ-CG 3.92Å; A244-P253 CarbonylContact O-C 3.59Å; A244-P253 WeakPolarHBondContact O-CA 3.32Å; W245-P253 HydrophobicContact CD2-CB 4.28Å; W245-P253 HydrophobicContact CH2-CB 4.12Å; W245-P253 VanDerWaalsContact CH2-CD 3.41Å; W245-P253 HydrophobicContact CH2-CG 4.16Å; W245-P253 HydrophobicContact CZ2-CB 3.9Å; W245-P253 HydrophobicContact CZ2-CG 4.21Å; W245-P253 HydrophobicContact CZ3-CB 4.45Å; W245-P253 VanDerWaalsContact CZ3-N 3.32Å; P253-D255 VanDerWaalsContact C-N 3.32Å
254V96.9Very high95.5Very high62 Ų6249.7 Ų49.738%0.37625%0.253SS..SBendtrans-64.2-45.3169178.60000109.1A244 D246 S294A244-V254 PolarHBondContact O-N 2.52Å; D246-V254 HydrophobicContact CB-CG2 3.89Å; V254-S294 WeakPolarHBondContact CG1-O 3.5Å; V254-S294 WeakPolarHBondContact CG2-O 3.33Å
255D97.9Very high95.5Very high39 Ų3949.9 Ų49.921%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-153.2158.8-179-157.91.1000109.8S243 A244 P253 K296 I297S243-D255 WeakPolarHBondContact CA-O 3.44Å; A244-D255 PolarHBondContact N-O 3.07Å; P253-D255 VanDerWaalsContact C-N 3.32Å; D255-K296 WeakPolarHBondContact OD2-CG 3.37Å; D255-I297 HydrophobicContact CB-CG1 4.43Å; D255-I297 PolarHBondContact OD2-N 2.93Å
256H97.7Very high95.5Very high93 Ų9349.7 Ų49.743%0.43125%0.253SS..EExtended strand (participates in β ladder)trans-152.9146.8172.566.5-65.6000110.3F217 L242F217-H256 HydrophobicContact CE1-CB 4.4Å; F217-H256 HydrophobicContact CZ-CB 4.28Å; F217-H256 AromaticContact CZ-CD2 3.97Å; F217-H256 AromaticContact CZ-CG 3.94Å; L242-H256 CarbonylContact O-C 3.55Å; L242-H256 VanDerWaalsContact O-CA 3.24Å; L242-H256 WeakPolarHBondContact O-CA 3.48Å
257I97.3Very high95.5Very high28 Ų2849.6 Ų49.614%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-135.6161.6179.356.7160.2000109.9S241 L242 V259 I297 L299S241-I257 CarbonylContact C-O 3.46Å; S241-I257 WeakPolarHBondContact CA-O 3.28Å; L242-I257 HydrophobicContact CB-CG1 4.2Å; L242-I257 PolarHBondContact N-O 2.73Å; L242-I257 PolarHBondContact O-N 2.95Å; I257-V259 HydrophobicContact CD1-CG1 3.59Å; I257-V259 HydrophobicContact CG1-CG1 4.09Å; I257-I297 HydrophobicContact CD1-CG2 3.57Å; I257-I297 HydrophobicContact CG1-CD1 4.25Å; I257-I297 HydrophobicContact CG1-CG2 4.08Å; I257-I297 HydrophobicContact CG2-CB 4.33Å; I257-I297 HydrophobicContact CG2-CG2 4.17Å; I257-L299 HydrophobicContact CD1-CD1 4.14Å; I257-L299 HydrophobicContact CD1-CD2 3.59Å; I257-L299 HydrophobicContact CD1-CG 3.73Å
258H96.1Very high95.5Very high122 Ų12248.8 Ų48.857%0.56525%0.247SC*.EExtended strand (participates in β ladder)trans-99.3135.3165.9-69.9-47.8000110.1D240D240-H258 WeakPolarHBondContact O-CA 3.21Å
259V94Very high95.4Very high0 Ų041.5 Ų41.50%022%0.221CC..  trans-117.820.6-174.6-68.50000112.3D240 L242 I257 G261 Q284 V287 L299D240-V259 WeakPolarHBondContact O-CG2 3.37Å; D240-V259 PolarHBondContact O-N 3.49Å; L242-V259 HydrophobicContact CB-CG1 4.21Å; L242-V259 HydrophobicContact CB-CG2 4.31Å; L242-V259 HydrophobicContact CD1-CG1 4.39Å; I257-V259 HydrophobicContact CD1-CG1 3.59Å; I257-V259 HydrophobicContact CG1-CG1 4.09Å; V259-G261 WeakPolarHBondContact CG2-O 3.35Å; V259-G261 PolarHBondContact O-N 3.14Å; V259-Q284 WeakPolarHBondContact O-CB 3.43Å; V259-Q284 WeakPolarHBondContact O-CG 3.32Å; V259-V287 HydrophobicContact CB-CG2 4.38Å; V259-V287 HydrophobicContact CG1-CG1 4.13Å; V259-L299 HydrophobicContact CG1-CD2 4.48Å
260G91Very high94.9Very high29 Ų2942.4 Ų42.430%0.29922%0.222SC..SBendtrans65.77.5172.500000116.1
261G92.8Very high93.9Very high1 Ų147.3 Ų47.31%0.0124%0.244CC..SBendtrans168.8139.4-178.300000110D240 V259 A263 C281D240-G261 WeakPolarHBondContact OD1-CA 3.24Å; V259-G261 WeakPolarHBondContact CG2-O 3.35Å; V259-G261 PolarHBondContact O-N 3.14Å; G261-A263 PolarHBondContact O-N 3.44Å; G261-C281 WeakPolarHBondContact O-CB 3.18Å
262A96.2Very high92.8Very high3 Ų343.5 Ų43.53%0.02523%0.227CC..  trans-50.9126.2178.300000112.9T223 S237 Y238 D240 W264 C281 I282T223-A262 HydrophobicContact CG2-CB 3.81Å; S237-A262 WeakPolarHBondContact O-CB 3.37Å; Y238-A262 HydrophobicContact CD1-CB 4.08Å; D240-A262 PolarHBondContact OD1-N 3.49Å; D240-A262 VanDerWaalsContact OD1-N 3.11Å; A262-W264 PolarHBondContact O-N 3.38Å; A262-C281 WeakPolarHBondContact O-CA 3.2Å; A262-I282 PolarHBondContact O-N 3.23Å; A262-I282 VanDerWaalsContact O-N 3.09Å
263A97.8Very high91.6Very high0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-73.7120.4172.900000109T223 C224 S236 L242 G261 M266 C279 A280T223-A263 WeakPolarHBondContact CB-O 3.42Å; T223-A263 PolarHBondContact OG1-O 3.19Å; C224-A263 VanDerWaalsContact CB-O 3.27Å; C224-A263 WeakPolarHBondContact CB-O 3.33Å; S236-A263 WeakPolarHBondContact OG-CB 3.16Å; S236-A263 PolarHBondContact OG-N 2.86Å; L242-A263 HydrophobicContact CD1-CB 4.48Å; G261-A263 PolarHBondContact O-N 3.44Å; A263-M266 HydrophobicContact CB-CG 4.4Å; A263-C279 HydrophobicContact CB-CB 4.06Å; A263-A280 CarbonylContact C-O 3.52Å; A263-A280 WeakPolarHBondContact CA-O 3.4Å
264W96.8Very high90.6Very high32 Ų3238.8 Ų38.812%0.12122%0.218CC..EExtended strand (participates in β ladder)trans-89.6-30.6179.3-160.1-98.5000112.3M178 T223 Y238 A262 A280 I282 Y312M178-W264 HydrophobicContact CE-CH2 3.45Å; M178-W264 VanDerWaalsContact CE-CH2 3.45Å; M178-W264 HydrophobicContact CE-CZ2 4.2Å; M178-W264 HydrophobicContact CE-CZ3 4.09Å; T223-W264 HydrophobicContact CG2-CE3 4.1Å; T223-W264 HydrophobicContact CG2-CZ3 3.97Å; Y238-W264 HydrophobicContact CE1-CZ3 4.09Å; Y238-W264 AromaticContact CZ-CZ3 3.71Å; Y238-W264 WeakPolarHBondContact OH-CH2 3.43Å; Y238-W264 WeakPolarHBondContact OH-CZ3 3.46Å; A262-W264 PolarHBondContact O-N 3.38Å; W264-A280 PolarHBondContact N-O 2.85Å; W264-I282 HydrophobicContact CB-CG1 4.38Å; W264-I282 HydrophobicContact CD2-CD1 4.29Å; W264-I282 HydrophobicContact CE3-CD1 3.47Å; W264-I282 VanDerWaalsContact CE3-CD1 3.47Å; W264-I282 HydrophobicContact CE3-CG1 4.25Å; W264-I282 HydrophobicContact CZ3-CD1 3.81Å; W264-Y312 VanDerWaalsContact CB-O 3.32Å; W264-Y312 WeakPolarHBondContact CB-O 3.35Å; W264-Y312 AromaticContact CD1-CD1 3.65Å; W264-Y312 VanDerWaalsContact CD1-O 3.22Å; W264-Y312 AromaticContact CD2-CD1 3.87Å; W264-Y312 HydrophobicContact CD2-CD1 3.87Å; W264-Y312 HydrophobicContact CD2-CE1 4.12Å; W264-Y312 AromaticContact CE2-CD1 3.68Å; W264-Y312 AromaticContact CE2-CE1 3.87Å; W264-Y312 AromaticContact CG-CD1 3.82Å; W264-Y312 HydrophobicContact CG-CD1 3.82Å; W264-Y312 HydrophobicContact CH2-CE1 4.43Å; W264-Y312 HydrophobicContact CZ2-CD1 4.28Å; W264-Y312 HydrophobicContact CZ2-CE1 4.02Å; W264-Y312 AromaticContact NE1-CD1 3.55Å
265T97.6Very high90.2Very high3 Ų342.9 Ų42.92%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-135.7147.1173.153.20000110.4F24 C279 A280 Y312 A313 A314F24-T265 HydrophobicContact CD2-CG2 3.86Å; F24-T265 HydrophobicContact CE2-CG2 3.39Å; F24-T265 HydrophobicContact CZ-CG2 4.15Å; T265-C279 VanDerWaalsContact O-CA 3.24Å; T265-C279 WeakPolarHBondContact O-CA 3.37Å; T265-A280 PolarHBondContact O-N 2.51Å; T265-A280 WeakPolarHBondContact OG1-CB 3.42Å; T265-Y312 WeakPolarHBondContact CG2-O 3.32Å; T265-Y312 PolarHBondContact OG1-O 3.1Å; T265-A313 HydrophobicContact CG2-CB 4.21Å; T265-A313 VanDerWaalsContact OG1-CA 3.32Å; T265-A313 WeakPolarHBondContact OG1-CA 3.26Å; T265-A314 PolarHBondContact OG1-N 3.09Å
266M97.6Very high90Very high1 Ų143 Ų431%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-131.5135170.7-66.9-178.6-87.900107.8C224 F226 F234 L242 A263 I277 V278C224-M266 HydrophobicContact CB-CE 3.69Å; C224-M266 WeakPolarHBondContact SG-CE 3.32Å; F226-M266 HydrophobicContact CB-CB 3.75Å; F226-M266 HydrophobicContact CB-CE 3.86Å; F226-M266 HydrophobicContact CB-SD 4.28Å; F226-M266 HydrophobicContact CD1-CB 3.86Å; F226-M266 HydrophobicContact CD2-CB 4.45Å; F226-M266 WeakPolarHBondContact CD2-O 3.14Å; F226-M266 HydrophobicContact CG-CB 3.76Å; F234-M266 HydrophobicContact CB-CE 4.07Å; F234-M266 HydrophobicContact CB-SD 3.75Å; L242-M266 HydrophobicContact CD1-SD 3.85Å; L242-M266 HydrophobicContact CG-SD 4.23Å; A263-M266 HydrophobicContact CB-CG 4.4Å; M266-I277 HydrophobicContact CB-CG2 4.1Å; M266-V278 WeakPolarHBondContact CA-O 3.27Å
267R96.3Very high89.9Confident49 Ų4938.5 Ų38.519%0.18520%0.204CC..EExtended strand (participates in β ladder)trans-141.4131.7-178.7-70.7-68.9-173.1-115.715.5111.6F24 E26 I277 V278 A314 D315 W316F24-R267 VanDerWaalsContact CZ-NH2 3.34Å; E26-R267 IonicContact OE2-NH2 3.88Å; E26-R267 PolarHBondContact OE2-NH2 3.32Å; R267-I277 WeakPolarHBondContact O-CA 3.42Å; R267-V278 HydrophobicContact CB-CG1 4.06Å; R267-V278 PolarHBondContact N-O 2.68Å; R267-V278 PolarHBondContact O-N 2.94Å; R267-A314 VanDerWaalsContact CG-O 3.23Å; R267-A314 WeakPolarHBondContact CG-O 3.05Å; R267-D315 WeakPolarHBondContact CB-OD1 3.4Å; R267-D315 WeakPolarHBondContact CD-OD1 3.5Å; R267-D315 HydrophobicContact CG-CB 4.04Å; R267-D315 VanDerWaalsContact CG-OD1 3.28Å; R267-D315 WeakPolarHBondContact CG-OD1 3.42Å; R267-D315 IonicContact NE-OD2 3.12Å; R267-W316 PolarHBondContact O-NE1 2.86Å
268S95Very high89.9Confident10 Ų1037.2 Ų37.27%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-84.7148.5174.655.60000111.1N228 N270 R276N228-S268 WeakPolarHBondContact OD1-CB 3.43Å; N228-S268 PolarHBondContact OD1-OG 2.97Å; S268-N270 WeakPolarHBondContact CB-O 3Å; S268-N270 PolarHBondContact O-N 3.39Å; S268-N270 PolarHBondContact OG-O 3.18Å; S268-R276 WeakPolarHBondContact CA-O 3.36Å
269D91.2Very high90Very high28 Ų2831.4 Ų31.415%0.1517%0.17CC..SBendtrans-72.7-6.4-177.887.9-19000114.3S274 R276 W316 P319D269-S274 WeakPolarHBondContact OD1-CB 3.44Å; D269-S274 PolarHBondContact OD1-OG 2.95Å; D269-R276 HydrophobicContact CB-CB 4.24Å; D269-R276 PolarHBondContact N-O 2.83Å; D269-R276 VanDerWaalsContact N-O 3.16Å; D269-R276 WeakPolarHBondContact OD2-CD 3.28Å; D269-R276 IonicContact OD2-CZ 2.88Å; D269-R276 IonicContact OD2-NE 2.89Å; D269-R276 IonicContact OD2-NH1 3.61Å; D269-R276 PolarHBondContact OD2-NH1 3.05Å; D269-R276 VanDerWaalsContact OD2-NH1 3.08Å; D269-W316 VanDerWaalsContact CA-CD1 3.42Å; D269-W316 HydrophobicContact CB-CD2 3.49Å; D269-W316 VanDerWaalsContact CB-CD2 3.49Å; D269-W316 VanDerWaalsContact CB-CE2 3.41Å; D269-W316 HydrophobicContact CB-CE3 3.94Å; D269-W316 HydrophobicContact CB-CG 3.9Å; D269-W316 HydrophobicContact CB-CH2 4.23Å; D269-W316 HydrophobicContact CB-CZ2 3.8Å; D269-W316 HydrophobicContact CB-CZ3 4.28Å; D269-P319 HydrophobicContact CB-CB 3.92Å; D269-P319 HydrophobicContact CB-CG 4.03Å; D269-P319 WeakPolarHBondContact O-CG 3.3Å
270N82.8Confident90.2Very high77 Ų7731.4 Ų31.441%0.41217%0.17SC..SBendtrans-155.4161.8170.363.475.5000109.9S268 G272 S274S268-N270 WeakPolarHBondContact CB-O 3Å; S268-N270 PolarHBondContact O-N 3.39Å; S268-N270 PolarHBondContact OG-O 3.18Å; N270-G272 VanDerWaalsContact C-N 3.25Å; N270-G272 PolarHBondContact O-N 3.35Å; N270-G272 WeakPolarHBondContact OD1-CA 3.2Å; N270-G272 PolarHBondContact OD1-N 3.48Å; N270-G272 PolarHBondContact OD1-O 2.97Å; N270-S274 VanDerWaalsContact ND2-CB 3.32Å; N270-S274 WeakPolarHBondContact ND2-CB 3.13Å; N270-S274 PolarHBondContact ND2-OG 2.93Å
271E71.9Confident90.5Very high126 Ų12630 Ų3059%0.58916%0.156SC*.SBendtrans-74.4-10.9-178.5-66.7-62.7154.400114.3R184 A229R184-E271 IonicContact CZ-OE2 3.39Å; R184-E271 PolarHBondContact NH1-O 3.16Å; R184-E271 IonicContact NH1-OE2 3.08Å; R184-E271 PolarHBondContact NH1-OE2 2.95Å; R184-E271 IonicContact NH2-OE2 3.04Å; R184-E271 PolarHBondContact NH2-OE2 2.82Å; A229-E271 WeakPolarHBondContact CB-O 3.37Å
272G69.1Low90.6Very high34 Ų3430.3 Ų30.335%0.35116%0.157SC..SBendtrans-81.3-170.1173.400000111.9N228 N270 S274N228-G272 PolarHBondContact OD1-O 2.8Å; N270-G272 VanDerWaalsContact C-N 3.25Å; N270-G272 PolarHBondContact O-N 3.35Å; N270-G272 WeakPolarHBondContact OD1-CA 3.2Å; N270-G272 PolarHBondContact OD1-N 3.48Å; N270-G272 PolarHBondContact OD1-O 2.97Å; G272-S274 PolarHBondContact O-N 3.45Å
273A69.3Low90.4Very high69 Ų6937.8 Ų37.857%0.5719%0.186SC*.SBendtrans-69.458.8173.400000111.6
274S78Confident90.2Very high8 Ų838.9 Ų38.96%0.05619%0.191CC..  trans-57.9149.4175.8-1780000109.3N228 D269 N270 G272 R276N228-S274 PolarHBondContact ND2-O 3.28Å; D269-S274 WeakPolarHBondContact OD1-CB 3.44Å; D269-S274 PolarHBondContact OD1-OG 2.95Å; N270-S274 VanDerWaalsContact ND2-CB 3.32Å; N270-S274 WeakPolarHBondContact ND2-CB 3.13Å; N270-S274 PolarHBondContact ND2-OG 2.93Å; G272-S274 PolarHBondContact O-N 3.45Å; S274-R276 PolarHBondContact OG-N 2.99Å; S274-R276 VanDerWaalsContact OG-N 3.1Å
275R87.9Confident90.2Very high149 Ų14937.3 Ų37.356%0.56219%0.185SC*.SBendtrans-98-3.6173.4-64.7-173.4-175.9178.7-0.7112.5V290 T291R275-V290 CarbonylContact O-C 3.43Å; R275-V290 WeakPolarHBondContact O-CA 3.42Å; R275-V290 VanDerWaalsContact O-CB 3.28Å; R275-V290 WeakPolarHBondContact O-CB 3.37Å; R275-V290 WeakPolarHBondContact O-CG1 3.28Å; R275-T291 VanDerWaalsContact CB-O 3.27Å; R275-T291 WeakPolarHBondContact CB-O 3.36Å; R275-T291 VanDerWaalsContact CG-O 3.26Å; R275-T291 WeakPolarHBondContact CG-O 3.28Å; R275-T291 PolarHBondContact O-N 2.8Å
276R94Very high90.2Very high40 Ų4037.2 Ų37.215%0.15118%0.184CC..EExtended strand (participates in β ladder)trans-112.9124.5-173.9-69.1174.566.1-159.614.7110.5S268 D269 S274 E288 V290 W316 N322S268-R276 WeakPolarHBondContact CA-O 3.36Å; D269-R276 HydrophobicContact CB-CB 4.24Å; D269-R276 PolarHBondContact N-O 2.83Å; D269-R276 VanDerWaalsContact N-O 3.16Å; D269-R276 WeakPolarHBondContact OD2-CD 3.28Å; D269-R276 IonicContact OD2-CZ 2.88Å; D269-R276 IonicContact OD2-NE 2.89Å; D269-R276 IonicContact OD2-NH1 3.61Å; D269-R276 PolarHBondContact OD2-NH1 3.05Å; D269-R276 VanDerWaalsContact OD2-NH1 3.08Å; S274-R276 PolarHBondContact OG-N 2.99Å; S274-R276 VanDerWaalsContact OG-N 3.1Å; R276-E288 IonicContact CZ-OE1 3.65Å; R276-E288 IonicContact NE-OE1 3.49Å; R276-E288 PolarHBondContact NE-OE1 2.99Å; R276-E288 IonicContact NH2-OE1 2.74Å; R276-E288 PolarHBondContact NH2-OE1 2.76Å; R276-V290 HydrophobicContact CG-CG1 3.69Å; R276-W316 HydrophobicContact CB-CZ2 4.16Å; R276-W316 VanDerWaalsContact CZ-CH2 3.44Å; R276-W316 VanDerWaalsContact NH2-CH2 3.28Å; R276-N322 PolarHBondContact NH2-OD1 3Å
277I96Very high90.1Very high0 Ų037.1 Ų37.10%018%0.184CC..EExtended strand (participates in β ladder)trans-126.1128.6-179.1-62.9172.5000108.4F226 F234 M266 R267 E288 F289 T291F226-I277 HydrophobicContact CD1-CD1 4.3Å; F226-I277 HydrophobicContact CE1-CD1 4.05Å; F226-I277 HydrophobicContact CE1-CG1 4.2Å; F226-I277 HydrophobicContact CE1-CG2 4.47Å; F234-I277 HydrophobicContact CD2-CD1 3.78Å; F234-I277 HydrophobicContact CE1-CD1 4.28Å; F234-I277 HydrophobicContact CE2-CD1 3.49Å; F234-I277 VanDerWaalsContact CE2-CD1 3.49Å; F234-I277 HydrophobicContact CG-CD1 4.32Å; F234-I277 HydrophobicContact CZ-CD1 3.77Å; M266-I277 HydrophobicContact CB-CG2 4.1Å; R267-I277 WeakPolarHBondContact O-CA 3.42Å; I277-E288 WeakPolarHBondContact O-CA 3.32Å; I277-F289 HydrophobicContact CB-CD1 4.28Å; I277-F289 HydrophobicContact CB-CD2 4.3Å; I277-F289 HydrophobicContact CB-CE1 3.81Å; I277-F289 HydrophobicContact CB-CE2 3.86Å; I277-F289 HydrophobicContact CB-CZ 3.59Å; I277-F289 HydrophobicContact CD1-CE2 3.57Å; I277-F289 HydrophobicContact CD1-CZ 3.56Å; I277-F289 HydrophobicContact CG1-CE2 4.16Å; I277-F289 HydrophobicContact CG1-CZ 4.12Å; I277-F289 HydrophobicContact CG2-CD1 4.37Å; I277-F289 HydrophobicContact CG2-CE1 3.59Å; I277-F289 HydrophobicContact CG2-CE2 4.38Å; I277-F289 HydrophobicContact CG2-CZ 3.6Å; I277-F289 PolarHBondContact N-O 2.84Å; I277-F289 PolarHBondContact O-N 3.03Å; I277-T291 HydrophobicContact CD1-CG2 4.27Å
278V97Very high90.1Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-101.3142.516971.60000109.2M266 R267 I286 V287 A314 W316 I324M266-V278 WeakPolarHBondContact CA-O 3.27Å; R267-V278 HydrophobicContact CB-CG1 4.06Å; R267-V278 PolarHBondContact N-O 2.68Å; R267-V278 PolarHBondContact O-N 2.94Å; V278-I286 HydrophobicContact CG2-CG2 3.9Å; V278-V287 CarbonylContact C-O 3.56Å; V278-V287 WeakPolarHBondContact CA-O 3.36Å; V278-A314 HydrophobicContact CG1-CB 4.44Å; V278-A314 HydrophobicContact CG2-CB 4.31Å; V278-W316 HydrophobicContact CB-CZ2 4.03Å; V278-W316 HydrophobicContact CG1-CG 4.48Å; V278-W316 HydrophobicContact CG1-CZ2 4.44Å; V278-I324 HydrophobicContact CG2-CD1 3.85Å; V278-I324 HydrophobicContact CG2-CG2 4.35Å
279C98.1Very high90Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-127139.3178.9-47.70000110.1A263 T265 V287 F289A263-C279 HydrophobicContact CB-CB 4.06Å; T265-C279 VanDerWaalsContact O-CA 3.24Å; T265-C279 WeakPolarHBondContact O-CA 3.37Å; C279-V287 HydrophobicContact CB-CB 4.26Å; C279-V287 PolarHBondContact N-O 2.78Å; C279-V287 PolarHBondContact O-N 2.89Å; C279-F289 VanDerWaalsContact SG-CE1 3.51Å
280A98Very high90.2Very high0 Ų034.9 Ų34.90%018%0.176CC..EExtended strand (participates in β ladder)trans-92.9113.7158.800000108.9A263 W264 T265 V311 A313 A314A263-A280 CarbonylContact C-O 3.52Å; A263-A280 WeakPolarHBondContact CA-O 3.4Å; W264-A280 PolarHBondContact N-O 2.85Å; T265-A280 PolarHBondContact O-N 2.51Å; T265-A280 WeakPolarHBondContact OG1-CB 3.42Å; A280-V311 HydrophobicContact CB-CB 4.35Å; A280-V311 HydrophobicContact CB-CG1 3.57Å; A280-A313 VanDerWaalsContact CB-C 3.45Å; A280-A314 HydrophobicContact CB-CB 3.87Å
281C97.6Very high90.7Very high0 Ų031.6 Ų31.60%016%0.159CC..EExtended strand (participates in β ladder)trans-107.7118.9179.8-68.40000108.6G261 A262 Y283 Q284 G285 V287G261-C281 WeakPolarHBondContact O-CB 3.18Å; A262-C281 WeakPolarHBondContact O-CA 3.2Å; C281-Y283 PolarHBondContact O-N 2.84Å; C281-Y283 VanDerWaalsContact O-N 3.1Å; C281-Q284 HydrophobicContact CB-CB 3.73Å; C281-Q284 HydrophobicContact CB-CG 4.49Å; C281-Q284 PolarHBondContact O-N 2.78Å; C281-G285 PolarHBondContact N-O 3.01Å; C281-G285 PolarHBondContact O-N 3.19Å; C281-V287 HydrophobicContact CB-CG2 4.36Å
282I93.9Very high91.7Very high7 Ų728.1 Ų28.14%0.03615%0.146CC..THydrogen-bonded Turntrans-46.1-55.3-163.7-67.3165.3000112.6Y238 A262 W264 M310 V311Y238-I282 HydrophobicContact CE1-CD1 4.31Å; A262-I282 PolarHBondContact O-N 3.23Å; A262-I282 VanDerWaalsContact O-N 3.09Å; W264-I282 HydrophobicContact CB-CG1 4.38Å; W264-I282 HydrophobicContact CD2-CD1 4.29Å; W264-I282 HydrophobicContact CE3-CD1 3.47Å; W264-I282 VanDerWaalsContact CE3-CD1 3.47Å; W264-I282 HydrophobicContact CE3-CG1 4.25Å; W264-I282 HydrophobicContact CZ3-CD1 3.81Å; I282-M310 HydrophobicContact CG2-CB 4.19Å; I282-M310 HydrophobicContact CG2-CE 3.97Å; I282-M310 HydrophobicContact CG2-CG 4.25Å; I282-M310 VanDerWaalsContact O-CA 3.28Å; I282-M310 WeakPolarHBondContact O-CA 3.38Å; I282-V311 WeakPolarHBondContact CA-O 3.45Å; I282-V311 PolarHBondContact O-N 3.22Å
283Y92.8Very high92.7Very high160 Ų16034 Ų3463%0.62716%0.164SC*.THydrogen-bonded Turntrans-98.1-20.7-177.6-58.1-60.1000114.3C281 G307 M310C281-Y283 PolarHBondContact O-N 2.84Å; C281-Y283 VanDerWaalsContact O-N 3.1Å; Y283-G307 WeakPolarHBondContact O-CA 3.19Å; Y283-M310 HydrophobicContact CE1-CG 4.25Å
284Q94.3Very high93.7Very high23 Ų2334.3 Ų34.311%0.10716%0.163CC..THydrogen-bonded Turntrans-83.5-19.4178.6179.959.47000112.7V259 C281 V287 D303 S304V259-Q284 WeakPolarHBondContact O-CB 3.43Å; V259-Q284 WeakPolarHBondContact O-CG 3.32Å; C281-Q284 HydrophobicContact CB-CB 3.73Å; C281-Q284 HydrophobicContact CB-CG 4.49Å; C281-Q284 PolarHBondContact O-N 2.78Å; Q284-V287 HydrophobicContact CG-CG2 3.84Å; Q284-D303 CarbonylContact O-C 3.5Å; Q284-S304 PolarHBondContact NE2-OG 3.1Å; Q284-S304 WeakPolarHBondContact O-CA 3.23Å
285G96.2Very high94.4Very high0 Ų033.9 Ų33.90%016%0.16CC..EExtended strand (participates in β ladder)trans85.8-123.3-174.600000112.8C281 D303C281-G285 PolarHBondContact N-O 3.01Å; C281-G285 PolarHBondContact O-N 3.19Å; G285-D303 WeakPolarHBondContact CA-O 3.3Å
286I96.7Very high94.8Very high0 Ų032.7 Ų32.70%016%0.159CC..EExtended strand (participates in β ladder)trans-103128.7-174.2-56-60000110.8V278 D303 V311 A314 I324 A326 L337 L339V278-I286 HydrophobicContact CG2-CG2 3.9Å; I286-D303 HydrophobicContact CB-CB 4.32Å; I286-D303 PolarHBondContact N-O 2.87Å; I286-D303 PolarHBondContact O-N 2.91Å; I286-V311 HydrophobicContact CD1-CG1 3.85Å; I286-A314 HydrophobicContact CD1-CB 4.1Å; I286-I324 HydrophobicContact CD1-CD1 4.44Å; I286-I324 HydrophobicContact CG1-CD1 4.43Å; I286-I324 HydrophobicContact CG2-CD1 3.62Å; I286-A326 HydrophobicContact CD1-CB 3.58Å; I286-L337 HydrophobicContact CG1-CD1 4.02Å; I286-L339 HydrophobicContact CG2-CD2 4.23Å
287V96Very high94.9Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-121.7129.9173.3177.70000109.6V259 V278 C279 C281 Q284 L299 C301 M302V259-V287 HydrophobicContact CB-CG2 4.38Å; V259-V287 HydrophobicContact CG1-CG1 4.13Å; V278-V287 CarbonylContact C-O 3.56Å; V278-V287 WeakPolarHBondContact CA-O 3.36Å; C279-V287 HydrophobicContact CB-CB 4.26Å; C279-V287 PolarHBondContact N-O 2.78Å; C279-V287 PolarHBondContact O-N 2.89Å; C281-V287 HydrophobicContact CB-CG2 4.36Å; Q284-V287 HydrophobicContact CG-CG2 3.84Å; V287-L299 HydrophobicContact CG1-CD2 3.61Å; V287-C301 WeakPolarHBondContact CA-O 3.34Å; V287-M302 HydrophobicContact CG1-CG 4.4Å; V287-M302 HydrophobicContact CG2-CG 4.16Å
288E95.5Very high94.8Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-112.8131.6166.4-171.8-165.5-174.100108.5R276 I277 R300 C301 L339 L343R276-E288 IonicContact CZ-OE1 3.65Å; R276-E288 IonicContact NE-OE1 3.49Å; R276-E288 PolarHBondContact NE-OE1 2.99Å; R276-E288 IonicContact NH2-OE1 2.74Å; R276-E288 PolarHBondContact NH2-OE1 2.76Å; I277-E288 WeakPolarHBondContact O-CA 3.32Å; E288-R300 PolarHBondContact O-N 3.43Å; E288-R300 IonicContact OE1-NH1 3.4Å; E288-R300 PolarHBondContact OE1-NH1 3.21Å; E288-R300 IonicContact OE2-NH1 3.44Å; E288-C301 HydrophobicContact CB-CB 3.83Å; E288-C301 PolarHBondContact N-O 2.91Å; E288-C301 PolarHBondContact O-N 2.93Å; E288-C301 VanDerWaalsContact O-N 3.09Å; E288-L339 HydrophobicContact CG-CD1 4.46Å; E288-L343 VanDerWaalsContact OE2-CD1 3.23Å; E288-L343 WeakPolarHBondContact OE2-CD1 3.49Å
289F94.9Very high94.7Very high0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-128.4159.7167.169.3-95.5000110.9F234 L242 I277 C279 I297 T298 L299F234-F289 HydrophobicContact CD1-CE2 4.11Å; F234-F289 AromaticContact CD1-CZ 3.89Å; F234-F289 HydrophobicContact CD1-CZ 3.89Å; F234-F289 AromaticContact CE1-CE2 3.76Å; F234-F289 HydrophobicContact CE1-CE2 3.76Å; F234-F289 HydrophobicContact CE1-CZ 4.03Å; F234-F289 HydrophobicContact CG-CZ 4.43Å; F234-F289 HydrophobicContact CZ-CE2 4.31Å; L242-F289 HydrophobicContact CD1-CD1 4.35Å; L242-F289 HydrophobicContact CD1-CE1 3.63Å; L242-F289 HydrophobicContact CD1-CZ 4.29Å; L242-F289 HydrophobicContact CD2-CE1 4.12Å; L242-F289 HydrophobicContact CD2-CZ 4.04Å; I277-F289 HydrophobicContact CB-CD1 4.28Å; I277-F289 HydrophobicContact CB-CD2 4.3Å; I277-F289 HydrophobicContact CB-CE1 3.81Å; I277-F289 HydrophobicContact CB-CE2 3.86Å; I277-F289 HydrophobicContact CB-CZ 3.59Å; I277-F289 HydrophobicContact CD1-CE2 3.57Å; I277-F289 HydrophobicContact CD1-CZ 3.56Å; I277-F289 HydrophobicContact CG1-CE2 4.16Å; I277-F289 HydrophobicContact CG1-CZ 4.12Å; I277-F289 HydrophobicContact CG2-CD1 4.37Å; I277-F289 HydrophobicContact CG2-CE1 3.59Å; I277-F289 HydrophobicContact CG2-CE2 4.38Å; I277-F289 HydrophobicContact CG2-CZ 3.6Å; I277-F289 PolarHBondContact N-O 2.84Å; I277-F289 PolarHBondContact O-N 3.03Å; C279-F289 VanDerWaalsContact SG-CE1 3.51Å; F289-I297 HydrophobicContact CB-CG2 3.84Å; F289-I297 HydrophobicContact CD2-CB 4.48Å; F289-I297 HydrophobicContact CD2-CG1 4.39Å; F289-I297 HydrophobicContact CD2-CG2 3.61Å; F289-I297 HydrophobicContact CE2-CG1 4.28Å; F289-I297 HydrophobicContact CE2-CG2 4.26Å; F289-I297 HydrophobicContact CG-CG2 3.81Å; F289-T298 CarbonylContact C-O 3.53Å; F289-T298 WeakPolarHBondContact CA-O 3.42Å; F289-T298 WeakPolarHBondContact CB-O 3.43Å; F289-L299 HydrophobicContact CB-CD2 4.31Å
290V93.6Very high94.3Very high39 Ų3938.3 Ų38.324%0.23619%0.188CC..EExtended strand (participates in β ladder)trans-108.2149.4164.9-70.60000111.8R275 R276 I297 T298 R300R275-V290 CarbonylContact O-C 3.43Å; R275-V290 WeakPolarHBondContact O-CA 3.42Å; R275-V290 VanDerWaalsContact O-CB 3.28Å; R275-V290 WeakPolarHBondContact O-CB 3.37Å; R275-V290 WeakPolarHBondContact O-CG1 3.28Å; R276-V290 HydrophobicContact CG-CG1 3.69Å; V290-I297 CarbonylContact O-C 3.59Å; V290-T298 HydrophobicContact CG2-CG2 4.46Å; V290-T298 PolarHBondContact N-O 3.19Å; V290-T298 PolarHBondContact O-N 2.95Å; V290-R300 HydrophobicContact CG1-CG 4.27Å; V290-R300 HydrophobicContact CG2-CG 4.11Å
291T94.4Very high94Very high8 Ų838.3 Ų38.35%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-122.6144178-167.70000111.9F234 R275 I277 G295 K296F234-T291 HydrophobicContact CE2-CG2 4.44Å; F234-T291 HydrophobicContact CZ-CG2 3.76Å; F234-T291 WeakPolarHBondContact CZ-OG1 3.33Å; R275-T291 VanDerWaalsContact CB-O 3.27Å; R275-T291 WeakPolarHBondContact CB-O 3.36Å; R275-T291 VanDerWaalsContact CG-O 3.26Å; R275-T291 WeakPolarHBondContact CG-O 3.28Å; R275-T291 PolarHBondContact O-N 2.8Å; I277-T291 HydrophobicContact CD1-CG2 4.27Å; T291-G295 WeakPolarHBondContact OG1-CA 3.39Å; T291-K296 CarbonylContact C-O 3.59Å; T291-K296 WeakPolarHBondContact CA-O 3.17Å; T291-K296 PolarHBondContact OG1-O 3.13Å
292T92.9Very high93.8Very high53 Ų5338.9 Ų38.933%0.32519%0.191SC..  trans-77.6167.3167.464.80000110.3S294 G295 K296T292-S294 PolarHBondContact O-N 2.53Å; T292-S294 PolarHBondContact OG1-N 3.19Å; T292-S294 PolarHBondContact OG1-OG 3.27Å; T292-G295 PolarHBondContact O-N 3.03Å; T292-G295 PolarHBondContact OG1-N 2.86Å; T292-K296 HydrophobicContact CG2-CB 4Å; T292-K296 PolarHBondContact N-O 2.99Å; T292-K296 VanDerWaalsContact OG1-CB 3.32Å; T292-K296 WeakPolarHBondContact OG1-CB 3.34Å; T292-K296 PolarHBondContact OG1-N 3.5Å
293E89.9Confident93.8Very high157 Ų15738.9 Ų38.973%0.73419%0.191SC*.THydrogen-bonded Turntrans-58.6-31.6173.1-174.5175.917600112.7G295E293-G295 VanDerWaalsContact C-N 3.27Å; E293-G295 PolarHBondContact O-N 3.45Å
294S90.3Very high93.8Very high76 Ų7633.5 Ų33.553%0.53118%0.177SC..THydrogen-bonded Turntrans-76.8-9.6175.2680000113.8V254 T292V254-S294 WeakPolarHBondContact CG1-O 3.5Å; V254-S294 WeakPolarHBondContact CG2-O 3.33Å; T292-S294 PolarHBondContact O-N 2.53Å; T292-S294 PolarHBondContact OG1-N 3.19Å; T292-S294 PolarHBondContact OG1-OG 3.27Å
295G93.3Very high93.7Very high0 Ų036.6 Ų36.60%020%0.198CC..  trans96.56.4-179.400000116.1A244 T291 T292 E293 I297A244-G295 WeakPolarHBondContact CB-O 3.24Å; T291-G295 WeakPolarHBondContact OG1-CA 3.39Å; T292-G295 PolarHBondContact O-N 3.03Å; T292-G295 PolarHBondContact OG1-N 2.86Å; E293-G295 VanDerWaalsContact C-N 3.27Å; E293-G295 PolarHBondContact O-N 3.45Å; G295-I297 PolarHBondContact O-N 3.31Å
296K95.8Very high93.6Very high123 Ų12337.4 Ų37.454%0.53520%0.202SC..  trans-66.6133.5175.8-173.7179.8-178.2176.80109.8D255 T291 T292D255-K296 WeakPolarHBondContact OD2-CG 3.37Å; T291-K296 CarbonylContact C-O 3.59Å; T291-K296 WeakPolarHBondContact CA-O 3.17Å; T291-K296 PolarHBondContact OG1-O 3.13Å; T292-K296 HydrophobicContact CG2-CB 4Å; T292-K296 PolarHBondContact N-O 2.99Å; T292-K296 VanDerWaalsContact OG1-CB 3.32Å; T292-K296 WeakPolarHBondContact OG1-CB 3.34Å; T292-K296 PolarHBondContact OG1-N 3.5Å
297I96.3Very high93.3Very high9 Ų937.6 Ų37.65%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-100.2141.3-174.1-60.1170.7000110.2F234 L242 A244 D255 I257 F289 V290 G295F234-I297 HydrophobicContact CD1-CD1 4.48Å; F234-I297 HydrophobicContact CE1-CD1 4.37Å; F234-I297 HydrophobicContact CE1-CG1 4.27Å; L242-I297 HydrophobicContact CD2-CD1 3.66Å; A244-I297 HydrophobicContact CB-CD1 4.01Å; A244-I297 HydrophobicContact CB-CG1 4.29Å; D255-I297 HydrophobicContact CB-CG1 4.43Å; D255-I297 PolarHBondContact OD2-N 2.93Å; I257-I297 HydrophobicContact CD1-CG2 3.57Å; I257-I297 HydrophobicContact CG1-CD1 4.25Å; I257-I297 HydrophobicContact CG1-CG2 4.08Å; I257-I297 HydrophobicContact CG2-CB 4.33Å; I257-I297 HydrophobicContact CG2-CG2 4.17Å; F289-I297 HydrophobicContact CB-CG2 3.84Å; F289-I297 HydrophobicContact CD2-CB 4.48Å; F289-I297 HydrophobicContact CD2-CG1 4.39Å; F289-I297 HydrophobicContact CD2-CG2 3.61Å; F289-I297 HydrophobicContact CE2-CG1 4.28Å; F289-I297 HydrophobicContact CE2-CG2 4.26Å; F289-I297 HydrophobicContact CG-CG2 3.81Å; V290-I297 CarbonylContact O-C 3.59Å; G295-I297 PolarHBondContact O-N 3.31Å
298T94.4Very high93.2Very high53 Ų5342.1 Ų42.133%0.32524%0.235SC..EExtended strand (participates in β ladder)trans-136.3112.6170.4-58.10000109.1F289 V290 C346F289-T298 CarbonylContact C-O 3.53Å; F289-T298 WeakPolarHBondContact CA-O 3.42Å; F289-T298 WeakPolarHBondContact CB-O 3.43Å; V290-T298 HydrophobicContact CG2-CG2 4.46Å; V290-T298 PolarHBondContact N-O 3.19Å; V290-T298 PolarHBondContact O-N 2.95Å; T298-C346 HydrophobicContact CG2-CB 4Å
299L93.7Very high93.2Very high29 Ų2944.9 Ų44.915%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-61.8137.4175.7-76.8169000110.8I257 V259 V287 F289 M302I257-L299 HydrophobicContact CD1-CD1 4.14Å; I257-L299 HydrophobicContact CD1-CD2 3.59Å; I257-L299 HydrophobicContact CD1-CG 3.73Å; V259-L299 HydrophobicContact CG1-CD2 4.48Å; V287-L299 HydrophobicContact CG1-CD2 3.61Å; F289-L299 HydrophobicContact CB-CD2 4.31Å; L299-M302 HydrophobicContact CD1-SD 4.3Å; L299-M302 HydrophobicContact CD2-CG 4.48Å
300R90.6Very high93.2Very high67 Ų6746.8 Ų46.825%0.25326%0.258SS..EExtended strand (participates in β ladder)trans-119.7-37.4179.6-67.8-163.771.9-157.512.4113E288 V290 L343 N344E288-R300 PolarHBondContact O-N 3.43Å; E288-R300 IonicContact OE1-NH1 3.4Å; E288-R300 PolarHBondContact OE1-NH1 3.21Å; E288-R300 IonicContact OE2-NH1 3.44Å; V290-R300 HydrophobicContact CG1-CG 4.27Å; V290-R300 HydrophobicContact CG2-CG 4.11Å; R300-L343 HydrophobicContact CB-CB 4.15Å; R300-L343 HydrophobicContact CB-CD2 4.13Å; R300-L343 HydrophobicContact CB-CG 4.49Å; R300-L343 WeakPolarHBondContact O-CD2 3.26Å; R300-N344 PolarHBondContact O-N 3.18Å
301C91.7Very high93.4Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-142.8136.4-177-178.10000109.8S8 V287 E288 L343S8-C301 PolarHBondContact O-SG 3.22Å; S8-C301 WeakPolarHBondContact OG-CA 3.42Å; S8-C301 WeakPolarHBondContact OG-CB 3.16Å; S8-C301 PolarHBondContact OG-SG 3.01Å; V287-C301 WeakPolarHBondContact CA-O 3.34Å; E288-C301 HydrophobicContact CB-CB 3.83Å; E288-C301 PolarHBondContact N-O 2.91Å; E288-C301 PolarHBondContact O-N 2.93Å; E288-C301 VanDerWaalsContact O-N 3.09Å; C301-L343 HydrophobicContact CB-CD2 3.68Å
302M93.2Very high93.4Very high12 Ų1246.1 Ų46.16%0.05925%0.25CS..EExtended strand (participates in β ladder)trans-132.5116.3160.2-65.3-170.5-6500107.4L2 L6 S8 V287 L299L2-M302 HydrophobicContact CD2-CE 4.02Å; L2-M302 HydrophobicContact CD2-SD 4.48Å; L6-M302 HydrophobicContact CB-CE 3.6Å; L6-M302 HydrophobicContact CD1-CE 3.85Å; L6-M302 HydrophobicContact CG-CE 4.32Å; S8-M302 PolarHBondContact N-O 2.74Å; V287-M302 HydrophobicContact CG1-CG 4.4Å; V287-M302 HydrophobicContact CG2-CG 4.16Å; L299-M302 HydrophobicContact CD1-SD 4.3Å; L299-M302 HydrophobicContact CD2-CG 4.48Å
303D93.1Very high93.6Very high7 Ų743.6 Ų43.64%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-119.7104.9-179.4-179.90.3000110.7C10 Q284 G285 I286 V305C10-D303 WeakPolarHBondContact CA-OD2 3.24Å; C10-D303 WeakPolarHBondContact CB-OD2 3.49Å; C10-D303 PolarHBondContact N-OD2 2.87Å; C10-D303 PolarHBondContact SG-OD2 3.48Å; Q284-D303 CarbonylContact O-C 3.5Å; G285-D303 WeakPolarHBondContact CA-O 3.3Å; I286-D303 HydrophobicContact CB-CB 4.32Å; I286-D303 PolarHBondContact N-O 2.87Å; I286-D303 PolarHBondContact O-N 2.91Å; D303-V305 VanDerWaalsContact C-N 3.34Å; D303-V305 VanDerWaalsContact OD1-CB 3.26Å; D303-V305 WeakPolarHBondContact OD1-CB 3.39Å; D303-V305 WeakPolarHBondContact OD1-CG2 3.14Å; D303-V305 PolarHBondContact OD1-N 3.04Å
304S93.7Very high94Very high47 Ų4736.1 Ų36.133%0.32920%0.2SC..  trans-78-8.5-178.4-38.10000114.8Q284 L306 G307Q284-S304 PolarHBondContact NE2-OG 3.1Å; Q284-S304 WeakPolarHBondContact O-CA 3.23Å; S304-L306 VanDerWaalsContact C-N 3.33Å; S304-L306 PolarHBondContact O-N 3.08Å; S304-G307 PolarHBondContact O-N 2.8Å
305V92.5Very high94.4Very high89 Ų8933.1 Ų33.154%0.53918%0.178SC..THydrogen-bonded Turntrans-58.7-43-167.9169.80000112.3V9 D303V9-V305 HydrophobicContact CG1-CG2 3.71Å; V9-V305 HydrophobicContact CG2-CG2 4.35Å; D303-V305 VanDerWaalsContact C-N 3.34Å; D303-V305 VanDerWaalsContact OD1-CB 3.26Å; D303-V305 WeakPolarHBondContact OD1-CB 3.39Å; D303-V305 WeakPolarHBondContact OD1-CG2 3.14Å; D303-V305 PolarHBondContact OD1-N 3.04Å
306L92.7Very high94.5Very high17 Ų1733.8 Ų33.89%0.08918%0.18CC..THydrogen-bonded Turntrans-85.8-5.3179-63.3-177.8000113.7S304 S308 Q309 V311 H335 L337S304-L306 VanDerWaalsContact C-N 3.33Å; S304-L306 PolarHBondContact O-N 3.08Å; L306-S308 VanDerWaalsContact C-N 3.26Å; L306-S308 PolarHBondContact O-N 2.86Å; L306-Q309 PolarHBondContact O-N 2.84Å; L306-V311 HydrophobicContact CB-CG2 3.48Å; L306-V311 VanDerWaalsContact CB-CG2 3.48Å; L306-H335 HydrophobicContact CD1-CB 4.41Å; L306-L337 HydrophobicContact CD1-CD1 3.91Å
307G90.6Very high94.4Very high4 Ų428.4 Ų28.44%0.04116%0.157CC..G310 helixtrans-58.3-35.8-175.200000113.8Y283 S304 Q309 M310Y283-G307 WeakPolarHBondContact O-CA 3.19Å; S304-G307 PolarHBondContact O-N 2.8Å; G307-Q309 PolarHBondContact O-N 2.92Å; G307-M310 PolarHBondContact O-N 3.25Å
308S94.3Very high94.2Very high94 Ų9429.2 Ų29.266%0.65716%0.163SC*.G310 helixtrans-63.9-19.2175.666.90000114.2L306L306-S308 VanDerWaalsContact C-N 3.26Å; L306-S308 PolarHBondContact O-N 2.86Å
309Q95.4Very high94.1Very high58 Ų5828.2 Ų28.227%0.27116%0.157SC..G310 helixtrans-99.94-179.6-56.5-54.1-4800113.5L306 G307 Y329 S330L306-Q309 PolarHBondContact O-N 2.84Å; G307-Q309 PolarHBondContact O-N 2.92Å; Q309-Y329 PolarHBondContact O-N 3.17Å; Q309-Y329 VanDerWaalsContact O-N 3.13Å; Q309-S330 WeakPolarHBondContact O-CB 3.32Å; Q309-S330 PolarHBondContact O-N 3.14Å; Q309-S330 PolarHBondContact O-OG 3Å
310M95.2Very high93.9Very high41 Ų4136.8 Ų36.820%0.20219%0.194CC..  trans60.1101.5-175.7-57.9174.470.800112.9I282 Y283 G307 Y312 Y329I282-M310 HydrophobicContact CG2-CB 4.19Å; I282-M310 HydrophobicContact CG2-CE 3.97Å; I282-M310 HydrophobicContact CG2-CG 4.25Å; I282-M310 VanDerWaalsContact O-CA 3.28Å; I282-M310 WeakPolarHBondContact O-CA 3.38Å; Y283-M310 HydrophobicContact CE1-CG 4.25Å; G307-M310 PolarHBondContact O-N 3.25Å; M310-Y312 HydrophobicContact CB-CD2 4.22Å; M310-Y312 HydrophobicContact CB-CE2 3.82Å; M310-Y312 HydrophobicContact CE-CE2 3.79Å; M310-Y312 VanDerWaalsContact CE-OH 3.23Å; M310-Y312 WeakPolarHBondContact CE-OH 3.48Å; M310-Y329 WeakPolarHBondContact O-CB 3.27Å; M310-Y329 PolarHBondContact O-N 2.93Å; M310-Y329 HydrophobicContact SD-CD1 4.41Å
311V96.8Very high93.8Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-92.6113.2-179.7-169.70000110.4A280 I282 I286 L306 A326 S327A280-V311 HydrophobicContact CB-CB 4.35Å; A280-V311 HydrophobicContact CB-CG1 3.57Å; I282-V311 WeakPolarHBondContact CA-O 3.45Å; I282-V311 PolarHBondContact O-N 3.22Å; I286-V311 HydrophobicContact CD1-CG1 3.85Å; L306-V311 HydrophobicContact CB-CG2 3.48Å; L306-V311 VanDerWaalsContact CB-CG2 3.48Å; V311-A326 HydrophobicContact CG1-CB 4.3Å; V311-S327 WeakPolarHBondContact CA-O 3.39Å; V311-S327 VanDerWaalsContact CG1-O 3.3Å; V311-S327 WeakPolarHBondContact CG1-O 3.2Å
312Y95.7Very high93.9Very high32 Ų3241.2 Ų41.213%0.12522%0.217CC..EExtended strand (participates in β ladder)trans-100.1-30.3-176.8-83.9-93.7000113.5D23 W264 T265 M310 Y329D23-Y312 WeakPolarHBondContact O-CB 3.13Å; W264-Y312 VanDerWaalsContact CB-O 3.32Å; W264-Y312 WeakPolarHBondContact CB-O 3.35Å; W264-Y312 AromaticContact CD1-CD1 3.65Å; W264-Y312 VanDerWaalsContact CD1-O 3.22Å; W264-Y312 AromaticContact CD2-CD1 3.87Å; W264-Y312 HydrophobicContact CD2-CD1 3.87Å; W264-Y312 HydrophobicContact CD2-CE1 4.12Å; W264-Y312 AromaticContact CE2-CD1 3.68Å; W264-Y312 AromaticContact CE2-CE1 3.87Å; W264-Y312 AromaticContact CG-CD1 3.82Å; W264-Y312 HydrophobicContact CG-CD1 3.82Å; W264-Y312 HydrophobicContact CH2-CE1 4.43Å; W264-Y312 HydrophobicContact CZ2-CD1 4.28Å; W264-Y312 HydrophobicContact CZ2-CE1 4.02Å; W264-Y312 AromaticContact NE1-CD1 3.55Å; T265-Y312 WeakPolarHBondContact CG2-O 3.32Å; T265-Y312 PolarHBondContact OG1-O 3.1Å; M310-Y312 HydrophobicContact CB-CD2 4.22Å; M310-Y312 HydrophobicContact CB-CE2 3.82Å; M310-Y312 HydrophobicContact CE-CE2 3.79Å; M310-Y312 VanDerWaalsContact CE-OH 3.23Å; M310-Y312 WeakPolarHBondContact CE-OH 3.48Å; Y312-Y329 HydrophobicContact CD2-CD1 4.48Å; Y312-Y329 HydrophobicContact CD2-CD2 4.19Å; Y312-Y329 AromaticContact CD2-CG 3.8Å; Y312-Y329 HydrophobicContact CD2-CG 3.8Å; Y312-Y329 AromaticContact CE2-CD1 3.81Å; Y312-Y329 HydrophobicContact CE2-CD1 3.81Å; Y312-Y329 HydrophobicContact CE2-CD2 4.08Å; Y312-Y329 HydrophobicContact CE2-CE1 4.49Å; Y312-Y329 AromaticContact CE2-CG 3.56Å; Y312-Y329 HydrophobicContact CE2-CG 3.56Å
313A97.7Very high93.9Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-138.5140.3-175.400000112V25 T265 A280 A326 S327V25-A313 HydrophobicContact CB-CB 4.27Å; V25-A313 HydrophobicContact CG1-CB 4.32Å; V25-A313 HydrophobicContact CG2-CB 3.74Å; V25-A313 VanDerWaalsContact N-CB 3.25Å; T265-A313 HydrophobicContact CG2-CB 4.21Å; T265-A313 VanDerWaalsContact OG1-CA 3.32Å; T265-A313 WeakPolarHBondContact OG1-CA 3.26Å; A280-A313 VanDerWaalsContact CB-C 3.45Å; A313-A326 CarbonylContact O-C 3.56Å; A313-A326 WeakPolarHBondContact O-CA 3.2Å; A313-S327 WeakPolarHBondContact CB-OG 3.23Å; A313-S327 PolarHBondContact N-OG 2.73Å; A313-S327 VanDerWaalsContact N-OG 3.14Å; A313-S327 PolarHBondContact O-N 2.92Å
314A98Very high94.1Very high1 Ų140.7 Ų40.71%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-143.9143169.700000110.2T265 R267 V278 A280 I286 V325 A326T265-A314 PolarHBondContact OG1-N 3.09Å; R267-A314 VanDerWaalsContact CG-O 3.23Å; R267-A314 WeakPolarHBondContact CG-O 3.05Å; V278-A314 HydrophobicContact CG1-CB 4.44Å; V278-A314 HydrophobicContact CG2-CB 4.31Å; A280-A314 HydrophobicContact CB-CB 3.87Å; I286-A314 HydrophobicContact CD1-CB 4.1Å; A314-V325 CarbonylContact C-O 3.49Å; A314-V325 WeakPolarHBondContact CA-O 3.42Å; A314-A326 HydrophobicContact CB-CB 4.41Å
315D97.5Very high94.3Very high13 Ų1338.4 Ų38.47%0.0720%0.199CC..EExtended strand (participates in β ladder)trans-150161.4177.1-156.9-2.4000111.5E26 C27 R267 F317 I324 V325E26-D315 WeakPolarHBondContact CA-OD2 3.36Å; C27-D315 HydrophobicContact CB-CB 4.44Å; C27-D315 PolarHBondContact N-OD2 2.86Å; R267-D315 WeakPolarHBondContact CB-OD1 3.4Å; R267-D315 WeakPolarHBondContact CD-OD1 3.5Å; R267-D315 HydrophobicContact CG-CB 4.04Å; R267-D315 VanDerWaalsContact CG-OD1 3.28Å; R267-D315 WeakPolarHBondContact CG-OD1 3.42Å; R267-D315 IonicContact NE-OD2 3.12Å; D315-F317 PolarHBondContact O-N 2.94Å; D315-I324 CarbonylContact O-C 3.58Å; D315-I324 VanDerWaalsContact O-CA 3.23Å; D315-I324 WeakPolarHBondContact O-CA 3.28Å; D315-I324 WeakPolarHBondContact O-CB 3.45Å; D315-V325 HydrophobicContact CB-CG2 4.06Å; D315-V325 PolarHBondContact N-O 2.97Å; D315-V325 PolarHBondContact O-N 3.2Å
316W95.8Very high94.6Very high13 Ų1334.2 Ų34.25%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-77.8122.3179.6-67.790.4000111.1C27 R267 D269 R276 V278 P319 I324 L339C27-W316 WeakPolarHBondContact CB-O 3.27Å; C27-W316 PolarHBondContact SG-O 3.2Å; R267-W316 PolarHBondContact O-NE1 2.86Å; D269-W316 VanDerWaalsContact CA-CD1 3.42Å; D269-W316 HydrophobicContact CB-CD2 3.49Å; D269-W316 VanDerWaalsContact CB-CD2 3.49Å; D269-W316 VanDerWaalsContact CB-CE2 3.41Å; D269-W316 HydrophobicContact CB-CE3 3.94Å; D269-W316 HydrophobicContact CB-CG 3.9Å; D269-W316 HydrophobicContact CB-CH2 4.23Å; D269-W316 HydrophobicContact CB-CZ2 3.8Å; D269-W316 HydrophobicContact CB-CZ3 4.28Å; R276-W316 HydrophobicContact CB-CZ2 4.16Å; R276-W316 VanDerWaalsContact CZ-CH2 3.44Å; R276-W316 VanDerWaalsContact NH2-CH2 3.28Å; V278-W316 HydrophobicContact CB-CZ2 4.03Å; V278-W316 HydrophobicContact CG1-CG 4.48Å; V278-W316 HydrophobicContact CG1-CZ2 4.44Å; W316-P319 HydrophobicContact CB-CG 3.97Å; W316-P319 HydrophobicContact CD2-CG 4.47Å; W316-P319 HydrophobicContact CE3-CB 4.24Å; W316-P319 HydrophobicContact CE3-CG 4.25Å; W316-P319 HydrophobicContact CG-CG 4.4Å; W316-I324 HydrophobicContact CD2-CG2 3.99Å; W316-I324 HydrophobicContact CE3-CG2 3.65Å; W316-I324 HydrophobicContact CH2-CG2 4.45Å; W316-I324 HydrophobicContact CZ3-CG2 3.91Å; W316-L339 HydrophobicContact CH2-CD1 3.5Å; W316-L339 HydrophobicContact CZ2-CD1 4.44Å; W316-L339 HydrophobicContact CZ3-CD1 3.67Å
317F94.3Very high94.8Very high11 Ų1133.4 Ų33.45%0.04817%0.169CC..EExtended strand (participates in β ladder)trans-90.9-49.3174.4-177.9-100.2000111.1Q29 P36 I38 Y61 D315 S323 V325 L336Q29-F317 PolarHBondContact OE1-O 2.89Å; P36-F317 HydrophobicContact CB-CD2 4.13Å; P36-F317 HydrophobicContact CB-CE2 3.9Å; P36-F317 HydrophobicContact CB-CZ 4.38Å; P36-F317 HydrophobicContact CG-CD1 4.28Å; P36-F317 HydrophobicContact CG-CD2 3.96Å; P36-F317 HydrophobicContact CG-CE1 4Å; P36-F317 HydrophobicContact CG-CE2 3.65Å; P36-F317 HydrophobicContact CG-CG 4.26Å; P36-F317 HydrophobicContact CG-CZ 3.65Å; P36-F317 WeakPolarHBondContact CG-O 3.28Å; P36-F317 WeakPolarHBondContact O-CE2 3.3Å; I38-F317 HydrophobicContact CD1-CD2 4.05Å; I38-F317 HydrophobicContact CD1-CE2 4.1Å; I38-F317 HydrophobicContact CG1-CD2 4.08Å; I38-F317 HydrophobicContact CG1-CE2 4.26Å; Y61-F317 AromaticContact CD1-CE1 3.91Å; Y61-F317 HydrophobicContact CD1-CE1 3.91Å; Y61-F317 AromaticContact CD1-CZ 3.9Å; Y61-F317 HydrophobicContact CD1-CZ 3.9Å; Y61-F317 HydrophobicContact CG-CE1 4.47Å; Y61-F317 HydrophobicContact CG-CZ 4.11Å; D315-F317 PolarHBondContact O-N 2.94Å; F317-S323 PolarHBondContact N-O 2.84Å; F317-V325 HydrophobicContact CB-CG1 4Å; F317-V325 HydrophobicContact CD2-CG1 4.07Å; F317-V325 HydrophobicContact CG-CG1 4.3Å; F317-L336 HydrophobicContact CB-CD1 3.84Å; F317-L336 HydrophobicContact CD1-CD1 3.5Å; F317-L336 VanDerWaalsContact CD1-CD1 3.5Å; F317-L336 HydrophobicContact CD2-CD1 4.27Å; F317-L336 HydrophobicContact CE1-CD1 4.12Å; F317-L336 HydrophobicContact CG-CD1 3.59Å
318C91.7Very high95.1Very high25 Ų2533.2 Ų33.217%0.16917%0.167CC..EExtended strand (participates in β ladder)trans-147.790.4174.7-169.30000109.7K320 K321 N322 S323C318-K320 VanDerWaalsContact C-N 3.28Å; C318-K320 PolarHBondContact O-N 2.95Å; C318-K321 HydrophobicContact CB-CB 4.2Å; C318-K321 CarbonylContact O-C 3.58Å; C318-K321 PolarHBondContact O-N 3.3Å; C318-N322 PolarHBondContact O-N 2.99Å; C318-S323 PolarHBondContact N-O 2.94Å; C318-S323 PolarHBondContact O-N 2.85Å
319P91.7Very high95.2Very high32 Ų3230.3 Ų30.321%0.20814%0.142CC..G310 helixtrans-49.8-43.8-178.8-3133.9000114.5D269 W316 K321 N322D269-P319 HydrophobicContact CB-CB 3.92Å; D269-P319 HydrophobicContact CB-CG 4.03Å; D269-P319 WeakPolarHBondContact O-CG 3.3Å; W316-P319 HydrophobicContact CB-CG 3.97Å; W316-P319 HydrophobicContact CD2-CG 4.47Å; W316-P319 HydrophobicContact CE3-CB 4.24Å; W316-P319 HydrophobicContact CE3-CG 4.25Å; W316-P319 HydrophobicContact CG-CG 4.4Å; P319-K321 PolarHBondContact O-N 2.8Å; P319-N322 PolarHBondContact O-N 3.02Å
320K89.1Confident95.2Very high210 Ų21030.3 Ų30.391%0.91315%0.148SC*.G310 helixtrans-63.1-24.5-179.8-65.1-176.8-178.2175.60113.2C318C318-K320 VanDerWaalsContact C-N 3.28Å; C318-K320 PolarHBondContact O-N 2.95Å
321K90.3Very high95.3Very high119 Ų11930.2 Ų30.252%0.51715%0.149SC..G310 helixtrans-103.29.2177.4-64.7-178.2-178.8175.40112.3C318 P319 S323C318-K321 HydrophobicContact CB-CB 4.2Å; C318-K321 CarbonylContact O-C 3.58Å; C318-K321 PolarHBondContact O-N 3.3Å; P319-K321 PolarHBondContact O-N 2.8Å; K321-S323 PolarHBondContact O-N 3.24Å; K321-S323 PolarHBondContact O-OG 2.86Å
322N92.5Very high95.4Very high41 Ų4134.4 Ų34.422%0.21916%0.164CC..THydrogen-bonded Turntrans53.433.4-172.7-74.4-18.3000112.9R276 C318 P319 R338 L339R276-N322 PolarHBondContact NH2-OD1 3Å; C318-N322 PolarHBondContact O-N 2.99Å; P319-N322 PolarHBondContact O-N 3.02Å; N322-R338 CarbonylContact O-C 3.58Å; N322-R338 WeakPolarHBondContact O-CA 3.36Å; N322-L339 HydrophobicContact CB-CB 4.18Å; N322-L339 PolarHBondContact O-N 2.81Å
323S93.9Very high95.5Very high7 Ų735.9 Ų35.95%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-100.4134.2-178.5-60.80000111.3F317 C318 K321 L337F317-S323 PolarHBondContact N-O 2.84Å; C318-S323 PolarHBondContact N-O 2.94Å; C318-S323 PolarHBondContact O-N 2.85Å; K321-S323 PolarHBondContact O-N 3.24Å; K321-S323 PolarHBondContact O-OG 2.86Å; S323-L337 VanDerWaalsContact CA-O 3.28Å; S323-L337 WeakPolarHBondContact CA-O 3.27Å
324I96.8Very high95.5Very high0 Ų035.9 Ų35.90%017%0.171CC..EExtended strand (participates in β ladder)trans-128.9161.5177.164.3168.8000109.3V278 I286 D315 W316 L337 L339V278-I324 HydrophobicContact CG2-CD1 3.85Å; V278-I324 HydrophobicContact CG2-CG2 4.35Å; I286-I324 HydrophobicContact CD1-CD1 4.44Å; I286-I324 HydrophobicContact CG1-CD1 4.43Å; I286-I324 HydrophobicContact CG2-CD1 3.62Å; D315-I324 CarbonylContact O-C 3.58Å; D315-I324 VanDerWaalsContact O-CA 3.23Å; D315-I324 WeakPolarHBondContact O-CA 3.28Å; D315-I324 WeakPolarHBondContact O-CB 3.45Å; W316-I324 HydrophobicContact CD2-CG2 3.99Å; W316-I324 HydrophobicContact CE3-CG2 3.65Å; W316-I324 HydrophobicContact CH2-CG2 4.45Å; W316-I324 HydrophobicContact CZ3-CG2 3.91Å; I324-L337 HydrophobicContact CD1-CB 4.42Å; I324-L337 HydrophobicContact CD1-CD1 4.39Å; I324-L337 HydrophobicContact CG1-CB 3.89Å; I324-L337 PolarHBondContact N-O 2.94Å; I324-L337 PolarHBondContact O-N 3.31Å; I324-L339 HydrophobicContact CD1-CD2 3.98Å; I324-L339 HydrophobicContact CD1-CG 4.23Å; I324-L339 HydrophobicContact CG1-CG 4.43Å; I324-L339 HydrophobicContact CG2-CD1 3.83Å; I324-L339 HydrophobicContact CG2-CG 4.22Å
325V97.8Very high95.5Very high0 Ų036.2 Ų36.20%017%0.173CC..EExtended strand (participates in β ladder)trans-108.5150.4164.4-69.70000109.6V25 C27 I38 A314 D315 F317 H335 L336V25-V325 HydrophobicContact CG2-CG2 3.92Å; C27-V325 WeakPolarHBondContact SG-CG2 3.2Å; I38-V325 HydrophobicContact CD1-CG1 3.48Å; I38-V325 VanDerWaalsContact CD1-CG1 3.48Å; I38-V325 HydrophobicContact CG1-CG1 3.97Å; I38-V325 HydrophobicContact CG2-CG2 4.25Å; A314-V325 CarbonylContact C-O 3.49Å; A314-V325 WeakPolarHBondContact CA-O 3.42Å; D315-V325 HydrophobicContact CB-CG2 4.06Å; D315-V325 PolarHBondContact N-O 2.97Å; D315-V325 PolarHBondContact O-N 3.2Å; F317-V325 HydrophobicContact CB-CG1 4Å; F317-V325 HydrophobicContact CD2-CG1 4.07Å; F317-V325 HydrophobicContact CG-CG1 4.3Å; V325-H335 CarbonylContact C-O 3.4Å; V325-H335 WeakPolarHBondContact CA-O 3.49Å; V325-L336 HydrophobicContact CG1-CD1 4.07Å
326A98.4Very high95.5Very high0 Ų035.7 Ų35.70%017%0.17CC..EExtended strand (participates in β ladder)trans-144.3146.4174.300000111.6I286 V311 A313 A314 V334 H335 L337I286-A326 HydrophobicContact CD1-CB 3.58Å; V311-A326 HydrophobicContact CG1-CB 4.3Å; A313-A326 CarbonylContact O-C 3.56Å; A313-A326 WeakPolarHBondContact O-CA 3.2Å; A314-A326 HydrophobicContact CB-CB 4.41Å; A326-V334 CarbonylContact O-C 3.56Å; A326-V334 WeakPolarHBondContact O-CA 3.26Å; A326-H335 PolarHBondContact N-O 3.21Å; A326-H335 PolarHBondContact O-N 3.44Å; A326-L337 HydrophobicContact CB-CD1 4.04Å
327S98.2Very high95.5Very high0 Ų035.3 Ų35.30%017%0.169CC..EExtended strand (participates in β ladder)trans-99.8140.817268.70000112V22 V311 A313 K333V22-S327 WeakPolarHBondContact O-CB 3.39Å; V22-S327 PolarHBondContact O-OG 3.26Å; V22-S327 VanDerWaalsContact O-OG 3.05Å; V311-S327 WeakPolarHBondContact CA-O 3.39Å; V311-S327 VanDerWaalsContact CG1-O 3.3Å; V311-S327 WeakPolarHBondContact CG1-O 3.2Å; A313-S327 WeakPolarHBondContact CB-OG 3.23Å; A313-S327 PolarHBondContact N-OG 2.73Å; A313-S327 VanDerWaalsContact N-OG 3.14Å; A313-S327 PolarHBondContact O-N 2.92Å; S327-K333 WeakPolarHBondContact CA-O 3.28Å
328S96.9Very high95.5Very high0 Ų038.3 Ų38.30%018%0.18CC..EExtended strand (participates in β ladder)trans-116.4114.4169.754.40000109.2D331 R332 K333 H335S328-D331 WeakPolarHBondContact CB-OD1 3.46Å; S328-D331 PolarHBondContact OG-OD1 3.46Å; S328-R332 PolarHBondContact O-N 2.95Å; S328-K333 PolarHBondContact N-O 3.2Å; S328-K333 PolarHBondContact O-N 3.4Å; S328-K333 WeakPolarHBondContact OG-CB 3.42Å; S328-K333 PolarHBondContact OG-O 2.93Å; S328-H335 PolarHBondContact OG-CD2 2.79Å; S328-H335 PolarHBondContact OG-NE2 3.48Å
329Y96Very high95.6Very high33 Ų3337.3 Ų37.313%0.12917%0.173CC..THydrogen-bonded Turntrans-74.3-41.4-166.3173.6-98.2000112.7K21 D23 Q309 M310 Y312 D331 R332K21-Y329 HydrophobicContact CB-CD2 3.5Å; K21-Y329 VanDerWaalsContact CB-CD2 3.5Å; K21-Y329 HydrophobicContact CB-CE2 3.42Å; K21-Y329 VanDerWaalsContact CB-CE2 3.42Å; K21-Y329 HydrophobicContact CB-CG 4.2Å; K21-Y329 HydrophobicContact CD-CD1 3.93Å; K21-Y329 HydrophobicContact CD-CD2 3.92Å; K21-Y329 HydrophobicContact CD-CE1 3.5Å; K21-Y329 VanDerWaalsContact CD-CE1 3.5Å; K21-Y329 HydrophobicContact CD-CE2 3.42Å; K21-Y329 VanDerWaalsContact CD-CE2 3.42Å; K21-Y329 HydrophobicContact CD-CG 4.13Å; K21-Y329 HydrophobicContact CG-CD2 4.32Å; K21-Y329 HydrophobicContact CG-CE2 4.09Å; K21-Y329 WeakPolarHBondContact CG-O 3.37Å; D23-Y329 WeakPolarHBondContact OD1-CD2 3.24Å; D23-Y329 WeakPolarHBondContact OD1-CE2 3.27Å; Q309-Y329 PolarHBondContact O-N 3.17Å; Q309-Y329 VanDerWaalsContact O-N 3.13Å; M310-Y329 WeakPolarHBondContact O-CB 3.27Å; M310-Y329 PolarHBondContact O-N 2.93Å; M310-Y329 HydrophobicContact SD-CD1 4.41Å; Y312-Y329 HydrophobicContact CD2-CD1 4.48Å; Y312-Y329 HydrophobicContact CD2-CD2 4.19Å; Y312-Y329 AromaticContact CD2-CG 3.8Å; Y312-Y329 HydrophobicContact CD2-CG 3.8Å; Y312-Y329 AromaticContact CE2-CD1 3.81Å; Y312-Y329 HydrophobicContact CE2-CD1 3.81Å; Y312-Y329 HydrophobicContact CE2-CD2 4.08Å; Y312-Y329 HydrophobicContact CE2-CE1 4.49Å; Y312-Y329 AromaticContact CE2-CG 3.56Å; Y312-Y329 HydrophobicContact CE2-CG 3.56Å; Y329-D331 VanDerWaalsContact C-N 3.33Å; Y329-D331 PolarHBondContact O-N 2.8Å; Y329-R332 PolarHBondContact O-N 2.91Å
330S96.2Very high95.6Very high58 Ų5836.8 Ų36.841%0.40617%0.17SC..THydrogen-bonded Turntrans-65.9-32.6-174.8-67.80000113.8Q309Q309-S330 WeakPolarHBondContact O-CB 3.32Å; Q309-S330 PolarHBondContact O-N 3.14Å; Q309-S330 PolarHBondContact O-OG 3Å
331D96.7Very high95Very high39 Ų3932 Ų3221%0.20916%0.162CC..THydrogen-bonded Turntrans-110.48.2-177.571.3-14.2000114.2S328 Y329 K333S328-D331 WeakPolarHBondContact CB-OD1 3.46Å; S328-D331 PolarHBondContact OG-OD1 3.46Å; Y329-D331 VanDerWaalsContact C-N 3.33Å; Y329-D331 PolarHBondContact O-N 2.8Å; D331-K333 WeakPolarHBondContact O-CG 3.33Å; D331-K333 PolarHBondContact O-N 3.19Å; D331-K333 VanDerWaalsContact OD2-CD 3.28Å; D331-K333 WeakPolarHBondContact OD2-CD 3.48Å; D331-K333 VanDerWaalsContact OD2-CE 3.26Å; D331-K333 WeakPolarHBondContact OD2-CE 3.4Å; D331-K333 IonicContact OD2-NZ 3.51Å; D331-K333 PolarHBondContact OD2-NZ 3.09Å
332R97.6Very high93.9Very high88 Ų8837 Ų3733%0.33218%0.178SC..THydrogen-bonded Turntrans59.941.4174.6-50.9179.4-175.2166.24.5113.5L18 P19 K21 E44 S328 Y329L18-R332 PolarHBondContact N-O 2.82Å; L18-R332 WeakPolarHBondContact O-CB 3.32Å; P19-R332 PolarHBondContact O-NH1 3.15Å; P19-R332 VanDerWaalsContact O-NH1 3.14Å; K21-R332 HydrophobicContact CB-CG 4.49Å; K21-R332 HydrophobicContact CG-CG 3.93Å; E44-R332 IonicContact OE1-CZ 3.4Å; E44-R332 IonicContact OE1-NE 2.78Å; E44-R332 PolarHBondContact OE1-NE 3.38Å; E44-R332 IonicContact OE1-NH2 3.77Å; E44-R332 PolarHBondContact OE1-NH2 2.91Å; E44-R332 IonicContact OE2-CZ 2.86Å; E44-R332 IonicContact OE2-NE 3.97Å; E44-R332 PolarHBondContact OE2-NE 2.79Å; E44-R332 IonicContact OE2-NH2 2.73Å; E44-R332 PolarHBondContact OE2-NH2 3.04Å; S328-R332 PolarHBondContact O-N 2.95Å; Y329-R332 PolarHBondContact O-N 2.91Å
333K97.8Very high92.3Very high63 Ų6335.9 Ų35.927%0.27417%0.172SC..EExtended strand (participates in β ladder)trans-117153.7-177.1-59.9-178.1-165.1140.80113.6V15 A16 S327 S328 D331V15-K333 HydrophobicContact CG2-CB 3.89Å; V15-K333 HydrophobicContact CG2-CD 3.66Å; V15-K333 HydrophobicContact CG2-CG 4.16Å; A16-K333 VanDerWaalsContact O-CA 3.27Å; A16-K333 WeakPolarHBondContact O-CA 3.49Å; S327-K333 WeakPolarHBondContact CA-O 3.28Å; S328-K333 PolarHBondContact N-O 3.2Å; S328-K333 PolarHBondContact O-N 3.4Å; S328-K333 WeakPolarHBondContact OG-CB 3.42Å; S328-K333 PolarHBondContact OG-O 2.93Å; D331-K333 WeakPolarHBondContact O-CG 3.33Å; D331-K333 PolarHBondContact O-N 3.19Å; D331-K333 VanDerWaalsContact OD2-CD 3.28Å; D331-K333 WeakPolarHBondContact OD2-CD 3.48Å; D331-K333 VanDerWaalsContact OD2-CE 3.26Å; D331-K333 WeakPolarHBondContact OD2-CE 3.4Å; D331-K333 IonicContact OD2-NZ 3.51Å; D331-K333 PolarHBondContact OD2-NZ 3.09Å
334V98.3Very high90.2Very high0 Ų038.2 Ų38.20%018%0.184CC..EExtended strand (participates in β ladder)trans-116.7126.4164.7-179.50000107.8V15 A16 L18 V22 V25 L59 L67 A326V15-V334 WeakPolarHBondContact CA-O 3.35Å; A16-V334 PolarHBondContact N-O 2.86Å; A16-V334 PolarHBondContact O-N 2.97Å; L18-V334 HydrophobicContact CD1-CG2 3.87Å; V22-V334 HydrophobicContact CG1-CG2 4.04Å; V22-V334 HydrophobicContact CG2-CG2 4.16Å; V25-V334 HydrophobicContact CG1-CG2 4.36Å; L59-V334 HydrophobicContact CD1-CB 3.91Å; L59-V334 HydrophobicContact CD1-CG1 4.03Å; L59-V334 HydrophobicContact CD1-CG2 4.09Å; L67-V334 HydrophobicContact CD1-CG1 4.46Å; L67-V334 WeakPolarHBondContact CD1-O 3Å; A326-V334 CarbonylContact O-C 3.56Å; A326-V334 WeakPolarHBondContact O-CA 3.26Å
335H97.7Very high87.4Confident8 Ų847.9 Ų47.94%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-106.3131.3-177.7-63.4-98.6000109.7N12 L306 V325 A326 S328 L337N12-H335 PolarHBondContact ND2-ND1 3.39Å; N12-H335 VanDerWaalsContact ND2-ND1 3.2Å; L306-H335 HydrophobicContact CD1-CB 4.41Å; V325-H335 CarbonylContact C-O 3.4Å; V325-H335 WeakPolarHBondContact CA-O 3.49Å; A326-H335 PolarHBondContact N-O 3.21Å; A326-H335 PolarHBondContact O-N 3.44Å; S328-H335 PolarHBondContact OG-CD2 2.79Å; S328-H335 PolarHBondContact OG-NE2 3.48Å; H335-L337 HydrophobicContact CB-CD1 4.41Å; H335-L337 HydrophobicContact CB-CD2 3.75Å; H335-L337 HydrophobicContact CB-CG 3.89Å
336L97.1Very high84.7Confident2 Ų251.7 Ų51.71%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-91117.4159.3178.365.6000107.4V13 S14 Y61 L67 F317 V325V13-L336 HydrophobicContact CB-CB 4.5Å; V13-L336 HydrophobicContact CB-CD2 4.2Å; V13-L336 HydrophobicContact CB-CG 4.08Å; V13-L336 WeakPolarHBondContact CB-O 3.04Å; V13-L336 HydrophobicContact CG1-CD2 3.9Å; V13-L336 HydrophobicContact CG1-CG 4.33Å; V13-L336 PolarHBondContact N-O 2.75Å; S14-L336 PolarHBondContact N-O 2.92Å; S14-L336 PolarHBondContact O-N 2.96Å; Y61-L336 HydrophobicContact CD1-CD2 4.05Å; Y61-L336 HydrophobicContact CD2-CD2 3.75Å; Y61-L336 HydrophobicContact CE1-CD2 3.81Å; Y61-L336 HydrophobicContact CE2-CD2 3.52Å; Y61-L336 HydrophobicContact CG-CD2 4Å; L67-L336 HydrophobicContact CD1-CB 3.95Å; L67-L336 HydrophobicContact CD2-CB 4.44Å; L67-L336 HydrophobicContact CG-CB 4.23Å; F317-L336 HydrophobicContact CB-CD1 3.84Å; F317-L336 HydrophobicContact CD1-CD1 3.5Å; F317-L336 VanDerWaalsContact CD1-CD1 3.5Å; F317-L336 HydrophobicContact CD2-CD1 4.27Å; F317-L336 HydrophobicContact CE1-CD1 4.12Å; F317-L336 HydrophobicContact CG-CD1 3.59Å; V325-L336 HydrophobicContact CG1-CD1 4.07Å
337L96.6Very high81.7Confident5 Ų555.7 Ų55.73%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-117.3154.5-176.2-54175.2000110.6C10 E11 N12 I286 L306 S323 I324 A326 H335C10-L337 HydrophobicContact CB-CB 4.13Å; C10-L337 HydrophobicContact CB-CD1 4.38Å; E11-L337 CarbonylContact O-C 3.6Å; E11-L337 VanDerWaalsContact O-CA 3.3Å; E11-L337 WeakPolarHBondContact O-CA 3.48Å; N12-L337 HydrophobicContact CB-CD2 4.01Å; I286-L337 HydrophobicContact CG1-CD1 4.02Å; L306-L337 HydrophobicContact CD1-CD1 3.91Å; S323-L337 VanDerWaalsContact CA-O 3.28Å; S323-L337 WeakPolarHBondContact CA-O 3.27Å; I324-L337 HydrophobicContact CD1-CB 4.42Å; I324-L337 HydrophobicContact CD1-CD1 4.39Å; I324-L337 HydrophobicContact CG1-CB 3.89Å; I324-L337 PolarHBondContact N-O 2.94Å; I324-L337 PolarHBondContact O-N 3.31Å; A326-L337 HydrophobicContact CB-CD1 4.04Å; H335-L337 HydrophobicContact CB-CD1 4.41Å; H335-L337 HydrophobicContact CB-CD2 3.75Å; H335-L337 HydrophobicContact CB-CG 3.89Å
338R94.8Very high78.6Confident75 Ų7562.8 Ų62.828%0.28332%0.318SS..EExtended strand (participates in β ladder)trans-114.8119.9167.9179.8176.6-61.7120.55.6109.6C10 E11 V13 N322C10-R338 CarbonylContact C-O 3.57Å; C10-R338 WeakPolarHBondContact CA-O 3.37Å; E11-R338 HydrophobicContact CB-CB 4.22Å; E11-R338 VanDerWaalsContact CD-NH1 3.26Å; E11-R338 PolarHBondContact N-O 3.41Å; E11-R338 PolarHBondContact O-N 3.17Å; E11-R338 IonicContact OE1-NH1 3.49Å; E11-R338 PolarHBondContact OE1-NH1 3.12Å; E11-R338 VanDerWaalsContact OE1-NH1 3.12Å; E11-R338 IonicContact OE2-CZ 2.68Å; E11-R338 IonicContact OE2-NH1 2.97Å; E11-R338 PolarHBondContact OE2-NH1 3.16Å; V13-R338 HydrophobicContact CG2-CB 3.89Å; N322-R338 CarbonylContact O-C 3.58Å; N322-R338 WeakPolarHBondContact O-CA 3.36Å
339L94Very high75.6Confident3 Ų368.1 Ų68.12%0.01635%0.352CS..  trans-64.5145.3174.5-67167.1000110.1I286 E288 W316 N322 I324I286-L339 HydrophobicContact CG2-CD2 4.23Å; E288-L339 HydrophobicContact CG-CD1 4.46Å; W316-L339 HydrophobicContact CH2-CD1 3.5Å; W316-L339 HydrophobicContact CZ2-CD1 4.44Å; W316-L339 HydrophobicContact CZ3-CD1 3.67Å; N322-L339 HydrophobicContact CB-CB 4.18Å; N322-L339 PolarHBondContact O-N 2.81Å; I324-L339 HydrophobicContact CD1-CD2 3.98Å; I324-L339 HydrophobicContact CD1-CG 4.23Å; I324-L339 HydrophobicContact CG1-CG 4.43Å; I324-L339 HydrophobicContact CG2-CD1 3.83Å; I324-L339 HydrophobicContact CG2-CG 4.22Å
340P90.2Very high72.4Confident22 Ų2274.5 Ų74.514%0.14339%0.388CS..  trans-50.9139.4176.9-26.733.7000112.9L343P340-L343 HydrophobicContact CB-CD2 4.18Å; P340-L343 HydrophobicContact CG-CD2 4.46Å; P340-L343 WeakPolarHBondContact O-CD1 3.22Å; P340-L343 WeakPolarHBondContact O-CG 3.16Å
341S77.6Confident69.4Low108 Ų10877.8 Ų77.876%0.75541%0.405SS*.SBendtrans-77.5-34.4177.4570000112.7
342R66.8Low66.3Low224 Ų22480.8 Ų80.885%0.84543%0.427SS*.SBendtrans-97.790.6170.7-67.7-172.3-179-173.61.5108.6
343L59.7Low63.2Low18 Ų1882.7 Ų82.79%0.09445%0.448CS..  trans-82.2140.5174.9-70.5154000108.7E288 R300 C301 P340 K345E288-L343 VanDerWaalsContact OE2-CD1 3.23Å; E288-L343 WeakPolarHBondContact OE2-CD1 3.49Å; R300-L343 HydrophobicContact CB-CB 4.15Å; R300-L343 HydrophobicContact CB-CD2 4.13Å; R300-L343 HydrophobicContact CB-CG 4.49Å; R300-L343 WeakPolarHBondContact O-CD2 3.26Å; C301-L343 HydrophobicContact CB-CD2 3.68Å; P340-L343 HydrophobicContact CB-CD2 4.18Å; P340-L343 HydrophobicContact CG-CD2 4.46Å; P340-L343 WeakPolarHBondContact O-CD1 3.22Å; P340-L343 WeakPolarHBondContact O-CG 3.16Å; L343-K345 PolarHBondContact O-N 2.97Å; L343-K345 VanDerWaalsContact O-N 3.09Å
344N48.5Very low60.2Low56 Ų5687.1 Ų87.130%0.29948%0.475SS..  trans-54.4119.5-175.7-75.7-42.5000109.3R5 L6 R300 C346R5-N344 PolarHBondContact O-ND2 2.8Å; L6-N344 VanDerWaalsContact CA-ND2 3.34Å; L6-N344 WeakPolarHBondContact CA-ND2 3.34Å; L6-N344 HydrophobicContact CD2-CB 3.86Å; L6-N344 PolarHBondContact O-ND2 2.88Å; R300-N344 PolarHBondContact O-N 3.18Å; N344-C346 PolarHBondContact O-N 3.07Å; N344-C346 VanDerWaalsContact O-N 3.12Å
345K38.9Very low57.1Low203 Ų20393 Ų9388%0.88351%0.514SS*.  trans-67.1110.6161.8-76.2-175176-1760104.7L343 S347L343-K345 PolarHBondContact O-N 2.97Å; L343-K345 VanDerWaalsContact O-N 3.09Å; K345-S347 PolarHBondContact O-N 2.78Å; K345-S347 VanDerWaalsContact O-N 3.17Å
346C41.6Very low54Low80 Ų80100.6 Ų100.654%0.54155%0.554SS.*  trans-49.6125.8167.5-163.40000106.9T298 N344 D348T298-C346 HydrophobicContact CG2-CB 4Å; N344-C346 PolarHBondContact O-N 3.07Å; N344-C346 VanDerWaalsContact O-N 3.12Å; C346-D348 PolarHBondContact O-N 3.09Å
347S35.1Very low51.2Low85 Ų85105.3 Ų105.359%0.59459%0.588SS**  trans-44.3134.5177.328.90000110K345K345-S347 PolarHBondContact O-N 2.78Å; K345-S347 VanDerWaalsContact O-N 3.17Å
348D33.5Very low48.3Very low149 Ų149113.6 Ų113.680%0.79763%0.626SS**  trans-46.5141.2164.9-77.1-48.2000108.9C346 L350C346-D348 PolarHBondContact O-N 3.09Å; D348-L350 PolarHBondContact O-N 3.12Å; D348-L350 VanDerWaalsContact O-N 3.16Å
349P32.4Very low45.5Very low111 Ų111117.1 Ų117.172%0.72165%0.651SS**  trans-52.3127.2-173.219.7-30.5000109.4V351P349-V351 PolarHBondContact O-N 3.17Å
350L29.7Very low42.9Very low167 Ų167122 Ų12287%0.87469%0.685SS**  trans-45.4101.5172.6-78.7151.1000108.3D348 P352D348-L350 PolarHBondContact O-N 3.12Å; D348-L350 VanDerWaalsContact O-N 3.16Å; L350-P352 WeakPolarHBondContact O-CD 3.34Å
351V32.6Very low40.4Very low127 Ų127127.1 Ų127.177%0.7772%0.716SS**  trans-62118.9163.9179.20000104.4P349 T353P349-V351 PolarHBondContact O-N 3.17Å; V351-T353 PolarHBondContact O-N 3.5Å; V351-T353 VanDerWaalsContact O-N 3.07Å
352P32.3Very low38.3Very low103 Ų103127.7 Ų127.767%0.66972%0.719SS**  trans-56.9122.1178.3-18.830.1000107.1L350 D354L350-P352 WeakPolarHBondContact O-CD 3.34Å; P352-D354 PolarHBondContact O-N 3.26Å
353T31.9Very low37Very low128 Ų128123.1 Ų123.179%0.78572%0.718SS**  trans-56.3112.7165.441.40000106.4V351 C355V351-T353 PolarHBondContact O-N 3.5Å; V351-T353 VanDerWaalsContact O-N 3.07Å; T353-C355 PolarHBondContact O-N 3.16Å
354D34.1Very low35.7Very low156 Ų156125.7 Ų125.783%0.83475%0.749SS**  trans-45.5110.4171.4-73.9-42.5000108.1P352 L356P352-D354 PolarHBondContact O-N 3.26Å; D354-L356 PolarHBondContact O-N 3.03Å
355C33.6Very low35.2Very low122 Ų122136.3 Ų136.382%0.82480%0.797SS**  trans-60112.1164.3-71.10000105.7T353 S357T353-C355 PolarHBondContact O-N 3.16Å; C355-S357 PolarHBondContact O-N 2.94Å
356L33.3Very low35.1Very low168 Ų168133 Ų13388%0.8879%0.792SS**  trans-39111.8168.8-72.9157.7000108.8D354 E358D354-L356 PolarHBondContact O-N 3.03Å; L356-E358 PolarHBondContact O-N 3.14Å; L356-E358 VanDerWaalsContact O-N 3.14Å
357S37Very low34.7Very low101 Ų101135.7 Ų135.771%0.70681%0.805SS**  trans-61.7111.816949.50000107.6C355 D359C355-S357 PolarHBondContact O-N 2.94Å; S357-D359 PolarHBondContact O-N 2.99Å; S357-D359 VanDerWaalsContact O-N 3.1Å
358E35.8Very low34.7Very low180 Ų180138.6 Ų138.684%0.84182%0.817SS**  trans-65.4106.3162.5-74.3-175.5156.100107.6L356 S360L356-E358 PolarHBondContact O-N 3.14Å; L356-E358 VanDerWaalsContact O-N 3.14Å; E358-S360 VanDerWaalsContact C-N 3.34Å; E358-S360 PolarHBondContact O-N 3.1Å
359D36.2Very low34.8Very low149 Ų149137.9 Ų137.980%0.79782%0.818SS**  trans-55.796.1165-80.7-36.7000109S357S357-D359 PolarHBondContact O-N 2.99Å; S357-D359 VanDerWaalsContact O-N 3.1Å
360S40Very low34.9Very low106 Ų106139.6 Ų139.674%0.74182%0.824SS**  trans-105.283.7161.549.30000108.2E358 C362E358-S360 VanDerWaalsContact C-N 3.34Å; E358-S360 PolarHBondContact O-N 3.1Å; S360-C362 PolarHBondContact O-N 2.91Å; S360-C362 VanDerWaalsContact O-N 3.16Å
361T37.4Very low35.3Very low128 Ų128137.8 Ų137.879%0.78582%0.821SS**  trans-67.1104.2163.747.60000108.9
362C34.4Very low35.5Very low121 Ų121138.6 Ų138.682%0.81883%0.825SS**PPolyproline II helixtrans-84.9120.4157.7-76.20000108.3S360S360-C362 PolarHBondContact O-N 2.91Å; S360-C362 VanDerWaalsContact O-N 3.16Å
363P38.4Very low35.7Very low128 Ų128141.3 Ų141.383%0.83184%0.837SS**PPolyproline II helixtrans-76.8138.917225.2-18000109.8
364G33.5Very low36Very low71 Ų71142.4 Ų142.473%0.73284%0.841SS**PPolyproline II helixtrans-78.1172.6174.700000113.7
365E38.6Very low36.2Very low279 Ų279141.2 Ų141.2100%1.30484%0.842SS**  trans79.90179.3-60.9-169.3164.400117.3

Retrieved 365 of 365 residues in 271 ms (Link to these results)

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