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Sialidase-3

Exo-alpha-sialidase that catalyzes the hydrolytic cleavage of the terminal sialic acid (N-acetylneuraminic acid, Neu5Ac) of a glycan moiety in the catabolism of glycolipids, glycoproteins and oligosacharides. Displays high catalytic efficiency for gangliosides including alpha-(2->3)-sialylated GD1a and GM3 and alpha-(2->8)-sialylated GD3. Plays a role in the regulation of transmembrane signaling through the modulation of ganglioside content of the lipid bilayer and by direct interaction with signaling receptors, such as EGFR. Desialylates EGFR and activates downstream signaling in proliferating cells. Contributes to clathrin-mediated endocytosis by regulating sorting of endocytosed receptors to early and recycling endosomes.

AlphaFold DB , UniProt , Accession Q99PW5, Species RAT (Rattus norvegicus, Rat), Gene Neu3, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low58.6Low245 Ų245112.2 Ų112.2100%1.20761%0.605SS**  090.50-89.3-177.9-89.200105.9
2E34.1Very low61.8Low192 Ų192108.1 Ų108.190%0.89759%0.587SS**  trans-74.4120167.5-75.4177.5151.900106.5V4E2-V4 PolarHBondContact O-N 3.21Å; E2-V4 VanDerWaalsContact O-N 3.13Å
3E34.2Very low64.6Low194 Ų194100.2 Ų100.291%0.90754%0.544SS*.  trans-60.4112.9168.2-84-178.4147.600107.6S5E3-S5 VanDerWaalsContact C-N 3.32Å; E3-S5 PolarHBondContact O-N 2.65Å
4V43.2Very low67Low115 Ų11593.1 Ų93.170%0.69751%0.506SS*.  trans-63.7101.1165.7-177.70000105.8E2 S6E2-V4 PolarHBondContact O-N 3.21Å; E2-V4 VanDerWaalsContact O-N 3.13Å; V4-S6 PolarHBondContact O-N 2.78Å
5S43.4Very low69.1Low97 Ų9793.3 Ų93.368%0.67850%0.502SS*.  trans-49.5112.6170.7166.30000108.3E3 C7E3-S5 VanDerWaalsContact C-N 3.32Å; E3-S5 PolarHBondContact O-N 2.65Å; S5-C7 PolarHBondContact O-N 2.83Å; S5-C7 VanDerWaalsContact O-N 3.1Å
6S54.4Low70.8Confident80 Ų8091.3 Ų91.356%0.55949%0.488SS*.  trans-58.8117.8179660000109.1V4 S8 E405V4-S6 PolarHBondContact O-N 2.78Å; S6-S8 PolarHBondContact O-N 3.46Å; S6-E405 WeakPolarHBondContact CA-OE1 3.33Å
7C55.7Low72.2Confident53 Ų5389.9 Ų89.936%0.35848%0.478SS..  trans-77.62.2175.8-80.90000112.1S5 L9 E405S5-C7 PolarHBondContact O-N 2.83Å; S5-C7 VanDerWaalsContact O-N 3.1Å; C7-L9 PolarHBondContact O-N 2.81Å; C7-E405 PolarHBondContact N-OE1 3.2Å
8S67.9Low73.1Confident57 Ų5794.3 Ų94.340%0.39950%0.495SS..  trans-6399.1-179.461.90000113.7S6 L400 E405S6-S8 PolarHBondContact O-N 3.46Å; S8-L400 WeakPolarHBondContact CA-O 3.21Å; S8-E405 PolarHBondContact N-OE1 3.24Å
9L85.3Confident74Confident60 Ų6099.4 Ų99.431%0.31452%0.516SS..EExtended strand (participates in β ladder)trans-96.4120.2173.2-176.772000109.3C7 C399 L400C7-L9 PolarHBondContact O-N 2.81Å; L9-C399 CarbonylContact O-C 3.53Å; L9-C399 VanDerWaalsContact O-CA 3.29Å; L9-C399 WeakPolarHBondContact O-CA 3.32Å; L9-L400 HydrophobicContact CB-CB 4.47Å; L9-L400 PolarHBondContact N-O 3.13Å; L9-L400 PolarHBondContact O-N 3.21Å
10R93.9Very high74.8Confident107 Ų10799.7 Ų99.740%0.40452%0.519SS..EExtended strand (participates in β ladder)trans-110.5139.5178.5-171.1174.8-179.9157.73.5111.4N363 C387 D397 F398R10-N363 PolarHBondContact NH1-OD1 3.26Å; R10-N363 PolarHBondContact NH2-OD1 3.06Å; R10-C387 PolarHBondContact NH2-SG 3.48Å; R10-D397 IonicContact CZ-OD2 3.29Å; R10-D397 IonicContact NE-OD2 3.62Å; R10-D397 PolarHBondContact NE-OD2 2.9Å; R10-D397 IonicContact NH2-OD2 2.59Å; R10-D397 PolarHBondContact NH2-OD2 2.93Å; R10-F398 CarbonylContact C-O 3.23Å; R10-F398 VanDerWaalsContact CA-O 3.31Å; R10-F398 WeakPolarHBondContact CA-O 3.38Å
11S96.2Very high75.7Confident34 Ų34103.8 Ų103.824%0.23853%0.527CS..EExtended strand (participates in β ladder)trans-144.4132.3174.8-62.60000110.5L13 D397 F398S11-L13 PolarHBondContact O-N 3.14Å; S11-D397 WeakPolarHBondContact O-CA 3.46Å; S11-F398 PolarHBondContact N-O 3.19Å; S11-F398 PolarHBondContact O-N 2.92Å
12T97.9Very high78.6Confident63 Ų6393.2 Ų93.239%0.38748%0.475SS..EExtended strand (participates in β ladder)trans-79.4118.9171.5-60.70000109.4Q15 K395 D397T12-Q15 HydrophobicContact CG2-CB 4.24Å; T12-K395 HydrophobicContact CG2-CB 4.07Å; T12-K395 HydrophobicContact CG2-CD 4Å; T12-D397 WeakPolarHBondContact CA-OD1 3.36Å; T12-D397 WeakPolarHBondContact CB-OD1 3.5Å; T12-D397 WeakPolarHBondContact CG2-OD1 3.42Å; T12-D397 PolarHBondContact OG1-OD1 3.46Å
13L98.4Very high81.6Confident6 Ų684.2 Ų84.23%0.03143%0.434CS..EExtended strand (participates in β ladder)trans-97.3-37.7-177.2-61.7-162.5000112.4S11 A40 R59 W70 L384 I396 F398S11-L13 PolarHBondContact O-N 3.14Å; L13-A40 HydrophobicContact CD1-CB 3.6Å; L13-R59 PolarHBondContact O-NE 2.96Å; L13-R59 PolarHBondContact O-NH2 2.95Å; L13-W70 HydrophobicContact CD1-CD2 3.99Å; L13-W70 HydrophobicContact CD1-CE3 3.99Å; L13-W70 HydrophobicContact CD1-CH2 3.59Å; L13-W70 HydrophobicContact CD1-CZ2 3.6Å; L13-W70 HydrophobicContact CD1-CZ3 3.8Å; L13-W70 HydrophobicContact CD2-CB 4.47Å; L13-W70 HydrophobicContact CD2-CD2 3.61Å; L13-W70 HydrophobicContact CD2-CE3 4.28Å; L13-W70 HydrophobicContact CD2-CG 3.67Å; L13-W70 HydrophobicContact CD2-CZ2 4.27Å; L13-W70 HydrophobicContact CG-CD2 4.49Å; L13-L384 HydrophobicContact CD1-CD1 3.7Å; L13-L384 HydrophobicContact CG-CD1 4.32Å; L13-I396 PolarHBondContact N-O 3.13Å; L13-F398 HydrophobicContact CD1-CB 3.73Å; L13-F398 HydrophobicContact CD1-CG 4.39Å; L13-F398 HydrophobicContact CD2-CB 4.3Å; L13-F398 HydrophobicContact CG-CB 3.78Å
14F98.2Very high84.7Confident1 Ų175.3 Ų75.30%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-132.6127.5179.1-51.2-86.4000108.5Y24 A40 A42 V57 R59 Q73 K395 I396F14-Y24 HydrophobicContact CB-CD1 4.32Å; F14-Y24 HydrophobicContact CB-CD2 3.85Å; F14-Y24 HydrophobicContact CB-CG 3.67Å; F14-Y24 HydrophobicContact CD1-CD1 4.1Å; F14-Y24 HydrophobicContact CD1-CE1 4.43Å; F14-Y24 HydrophobicContact CD1-CG 4.31Å; F14-Y24 HydrophobicContact CG-CG 4.34Å; F14-A40 HydrophobicContact CE2-CB 4.36Å; F14-A42 HydrophobicContact CD1-CB 4.44Å; F14-A42 HydrophobicContact CD2-CB 4.14Å; F14-A42 HydrophobicContact CE1-CB 4.44Å; F14-A42 HydrophobicContact CE2-CB 4.12Å; F14-A42 HydrophobicContact CG-CB 4.3Å; F14-A42 HydrophobicContact CZ-CB 4.28Å; F14-V57 HydrophobicContact CD1-CG2 3.86Å; F14-V57 HydrophobicContact CE1-CB 4.24Å; F14-V57 HydrophobicContact CE1-CG2 3.55Å; F14-V57 HydrophobicContact CZ-CG2 4.41Å; F14-R59 HydrophobicContact CE1-CG 4.27Å; F14-R59 HydrophobicContact CZ-CG 4.17Å; F14-Q73 HydrophobicContact CD1-CG 4.46Å; F14-Q73 HydrophobicContact CE1-CG 4.12Å; F14-K395 CarbonylContact O-C 3.53Å; F14-K395 VanDerWaalsContact O-CA 3.22Å; F14-K395 WeakPolarHBondContact O-CA 3.36Å; F14-K395 VanDerWaalsContact O-CB 3.29Å; F14-K395 WeakPolarHBondContact O-CB 3.38Å; F14-I396 HydrophobicContact CB-CB 4.11Å; F14-I396 HydrophobicContact CB-CD1 4.42Å; F14-I396 HydrophobicContact CD2-CB 3.92Å; F14-I396 HydrophobicContact CD2-CD1 4.22Å; F14-I396 HydrophobicContact CD2-CG2 4.06Å; F14-I396 HydrophobicContact CG-CB 4.49Å; F14-I396 PolarHBondContact N-O 3.06Å; F14-I396 PolarHBondContact O-N 3.09Å
15Q97.5Very high87.3Confident96 Ų9670.7 Ų70.745%0.44936%0.362SS..EExtended strand (participates in β ladder)trans-123.8131.8-176.6179.564.856.200108.1T12 E17 Y24 E394T12-Q15 HydrophobicContact CG2-CB 4.24Å; Q15-E17 PolarHBondContact O-N 2.61Å; Q15-Y24 WeakPolarHBondContact O-CD2 3.33Å; Q15-Y24 VanDerWaalsContact O-CE2 3.25Å; Q15-Y24 WeakPolarHBondContact O-CE2 3.38Å; Q15-E394 PolarHBondContact NE2-O 2.93Å; Q15-E394 VanDerWaalsContact NE2-O 3.1Å
16Q96.2Very high89.9Confident60 Ų6066.4 Ų66.428%0.2833%0.331SS..  trans-56.8134.8175-174.3179.426.100110.5I22 T23 E394Q16-I22 WeakPolarHBondContact CA-O 3.24Å; Q16-I22 WeakPolarHBondContact CG-O 3.47Å; Q16-T23 PolarHBondContact NE2-OG1 2.91Å; Q16-E394 WeakPolarHBondContact CB-O 3.33Å; Q16-E394 PolarHBondContact N-O 3.07Å
17E95.2Very high92Very high68 Ų6862.6 Ų62.632%0.31831%0.305SS..BIsolated β-bridgetrans-107.994.1179.4-59.4172-140.800109Q15 Q19 N20 R21 I22 Y24Q15-E17 PolarHBondContact O-N 2.61Å; E17-Q19 VanDerWaalsContact C-N 3.27Å; E17-Q19 PolarHBondContact O-N 3.36Å; E17-N20 HydrophobicContact CB-CB 4.21Å; E17-N20 PolarHBondContact O-N 3.14Å; E17-N20 PolarHBondContact OE2-ND2 2.78Å; E17-R21 WeakPolarHBondContact O-CA 3.42Å; E17-R21 PolarHBondContact O-N 2.89Å; E17-I22 HydrophobicContact CB-CB 4.17Å; E17-I22 PolarHBondContact N-O 3.11Å; E17-I22 PolarHBondContact O-N 2.78Å; E17-I22 VanDerWaalsContact O-N 3.1Å; E17-Y24 PolarHBondContact OE1-OH 2.84Å
18E88.6Confident94.1Very high169 Ų16960.1 Ų60.179%0.7929%0.288SS*.THydrogen-bonded Turntrans-57.3-40.4-177.2-66.1-172.1166.800112.6N20 R21E18-N20 VanDerWaalsContact C-N 3.34Å; E18-N20 PolarHBondContact O-N 3.42Å; E18-R21 PolarHBondContact O-N 3.43Å
19Q89.6Confident95.6Very high191 Ų19157.5 Ų57.589%0.89327%0.269SS*.THydrogen-bonded Turntrans-63.5-38.8-178.5-66.3-178.4-5.300112.4E17E17-Q19 VanDerWaalsContact C-N 3.27Å; E17-Q19 PolarHBondContact O-N 3.36Å
20N90.7Very high96.2Very high106 Ų10655.4 Ų55.457%0.56726%0.258SS*.THydrogen-bonded Turntrans-94.2-2.5-179.3-65.8-29.8000112.8E17 E18 I22E17-N20 HydrophobicContact CB-CB 4.21Å; E17-N20 PolarHBondContact O-N 3.14Å; E17-N20 PolarHBondContact OE2-ND2 2.78Å; E18-N20 VanDerWaalsContact C-N 3.34Å; E18-N20 PolarHBondContact O-N 3.42Å; N20-I22 HydrophobicContact CB-CD1 3.62Å; N20-I22 HydrophobicContact CB-CG1 3.76Å; N20-I22 PolarHBondContact O-N 2.97Å
21R93.1Very high96.4Very high185 Ų18551 Ų5170%0.69824%0.242SC*.THydrogen-bonded Turntrans54.437.3-173-57.4176.760.2170.9-1.1112.7E17 E18 T46E17-R21 WeakPolarHBondContact O-CA 3.42Å; E17-R21 PolarHBondContact O-N 2.89Å; E18-R21 PolarHBondContact O-N 3.43Å; R21-T46 CarbonylContact O-C 3.45Å; R21-T46 WeakPolarHBondContact O-CA 3.41Å
22I96.9Very high96.4Very high23 Ų2349.5 Ų49.512%0.11823%0.231CC..BIsolated β-bridgetrans-98.5128.1179.9-58.2171.2000109.1Q16 E17 N20 Y24 M44 R45Q16-I22 WeakPolarHBondContact CA-O 3.24Å; Q16-I22 WeakPolarHBondContact CG-O 3.47Å; E17-I22 HydrophobicContact CB-CB 4.17Å; E17-I22 PolarHBondContact N-O 3.11Å; E17-I22 PolarHBondContact O-N 2.78Å; E17-I22 VanDerWaalsContact O-N 3.1Å; N20-I22 HydrophobicContact CB-CD1 3.62Å; N20-I22 HydrophobicContact CB-CG1 3.76Å; N20-I22 PolarHBondContact O-N 2.97Å; I22-Y24 HydrophobicContact CG2-CD2 4.37Å; I22-Y24 HydrophobicContact CG2-CE1 4.02Å; I22-Y24 HydrophobicContact CG2-CE2 3.76Å; I22-M44 HydrophobicContact CB-CE 4.38Å; I22-M44 HydrophobicContact CD1-CE 3.69Å; I22-M44 HydrophobicContact CG1-CE 3.67Å; I22-M44 HydrophobicContact CG2-CE 3.85Å; I22-M44 HydrophobicContact CG2-CG 3.81Å; I22-M44 HydrophobicContact CG2-SD 4.16Å; I22-R45 WeakPolarHBondContact CA-O 3.44Å
23T97.7Very high96.3Very high3 Ų347.9 Ų47.92%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-121.4138.9173.1-64.50000109Q16 R25 R45 D393Q16-T23 PolarHBondContact NE2-OG1 2.91Å; T23-R25 HydrophobicContact CG2-CG 3.78Å; T23-R45 PolarHBondContact N-O 3.5Å; T23-R45 PolarHBondContact O-N 2.88Å; T23-D393 HydrophobicContact CG2-CB 4.06Å; T23-D393 WeakPolarHBondContact CG2-O 3.32Å
24Y98.5Very high96.1Very high7 Ų752.2 Ų52.23%0.02725%0.25CS..EExtended strand (participates in β ladder)trans-109.8128.6177.6-59.4-82.9000110.3F14 Q15 E17 I22 E43 M44 V57 Q73F14-Y24 HydrophobicContact CB-CD1 4.32Å; F14-Y24 HydrophobicContact CB-CD2 3.85Å; F14-Y24 HydrophobicContact CB-CG 3.67Å; F14-Y24 HydrophobicContact CD1-CD1 4.1Å; F14-Y24 HydrophobicContact CD1-CE1 4.43Å; F14-Y24 HydrophobicContact CD1-CG 4.31Å; F14-Y24 HydrophobicContact CG-CG 4.34Å; Q15-Y24 WeakPolarHBondContact O-CD2 3.33Å; Q15-Y24 VanDerWaalsContact O-CE2 3.25Å; Q15-Y24 WeakPolarHBondContact O-CE2 3.38Å; E17-Y24 PolarHBondContact OE1-OH 2.84Å; I22-Y24 HydrophobicContact CG2-CD2 4.37Å; I22-Y24 HydrophobicContact CG2-CE1 4.02Å; I22-Y24 HydrophobicContact CG2-CE2 3.76Å; Y24-E43 VanDerWaalsContact CA-O 3.27Å; Y24-E43 WeakPolarHBondContact CA-O 3.48Å; Y24-M44 HydrophobicContact CD1-CB 4.28Å; Y24-M44 HydrophobicContact CD1-CG 4.48Å; Y24-M44 HydrophobicContact CE1-CB 4.11Å; Y24-M44 HydrophobicContact CE1-CG 3.95Å; Y24-V57 HydrophobicContact CD1-CG2 3.65Å; Y24-V57 HydrophobicContact CE1-CG1 4.31Å; Y24-V57 HydrophobicContact CE1-CG2 3.76Å; Y24-Q73 PolarHBondContact OH-NE2 3.29Å
25R98.5Very high96Very high18 Ų1854.9 Ų54.97%0.06827%0.267CS..EExtended strand (participates in β ladder)trans-140.3166.1-171-70.3-121.949.8-164.3-24.4111.7T23 E43 E386 D393T23-R25 HydrophobicContact CG2-CG 3.78Å; R25-E43 PolarHBondContact N-O 3.32Å; R25-E43 WeakPolarHBondContact O-CB 3.29Å; R25-E43 PolarHBondContact O-N 3.11Å; R25-E386 WeakPolarHBondContact CA-OE1 3.07Å; R25-E386 VanDerWaalsContact CZ-CD 3.49Å; R25-E386 IonicContact CZ-OE1 3.97Å; R25-E386 IonicContact CZ-OE2 3.86Å; R25-E386 VanDerWaalsContact CZ-OE2 3.29Å; R25-E386 IonicContact NE-OE1 3.35Å; R25-E386 PolarHBondContact NE-OE1 2.7Å; R25-E386 IonicContact NE-OE2 3.79Å; R25-E386 IonicContact NH2-OE1 3.72Å; R25-E386 PolarHBondContact NH2-OE1 3.41Å; R25-E386 IonicContact NH2-OE2 2.99Å; R25-E386 PolarHBondContact NH2-OE2 3.45Å; R25-D393 HydrophobicContact CG-CB 4.26Å
26I98.5Very high95.9Very high7 Ų754.5 Ų54.54%0.03627%0.265CS..EExtended strand (participates in β ladder)trans60.970171.3-43.9-52.9000111.3E43 P89 P163 Y369 E386I26-E43 HydrophobicContact CB-CG 4.06Å; I26-E43 WeakPolarHBondContact CB-OE1 3.27Å; I26-E43 HydrophobicContact CG1-CG 4.28Å; I26-E43 VanDerWaalsContact CG1-OE1 3.24Å; I26-E43 WeakPolarHBondContact CG1-OE1 3.5Å; I26-P89 WeakPolarHBondContact O-CG 3.39Å; I26-P163 HydrophobicContact CG2-CB 3.27Å; I26-P163 HydrophobicContact CG2-CG 3.52Å; I26-Y369 HydrophobicContact CD1-CD1 3.63Å; I26-Y369 HydrophobicContact CD1-CD2 4.39Å; I26-Y369 HydrophobicContact CD1-CE1 3.62Å; I26-Y369 HydrophobicContact CD1-CE2 4.37Å; I26-Y369 HydrophobicContact CD1-CG 4.08Å; I26-Y369 HydrophobicContact CG2-CD1 4.34Å; I26-E386 PolarHBondContact N-OE1 3.17Å
27P98.7Very high95.9Very high1 Ų151.8 Ų51.81%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-65.7141.6179.628-34.2000111.3F41 L384 E386 I396P27-F41 WeakPolarHBondContact CA-O 3.22Å; P27-L384 HydrophobicContact CB-CB 4.31Å; P27-L384 HydrophobicContact CB-CD2 3.64Å; P27-L384 HydrophobicContact CB-CG 3.69Å; P27-E386 HydrophobicContact CG-CG 4.18Å; P27-I396 HydrophobicContact CB-CD1 4.47Å; P27-I396 HydrophobicContact CB-CG2 4.06Å
28A98.9Very high96.1Very high0 Ų048.6 Ų48.60%024%0.237CC..EExtended strand (participates in β ladder)trans-136.5137165.900000109.8F41 P89 P91 G164 D371 L384A28-F41 HydrophobicContact CB-CB 4.25Å; A28-F41 PolarHBondContact N-O 3.29Å; A28-F41 PolarHBondContact O-N 2.85Å; A28-P89 HydrophobicContact CB-CB 3.91Å; A28-P89 HydrophobicContact CB-CG 3.83Å; A28-P89 WeakPolarHBondContact CB-O 3.35Å; A28-P91 HydrophobicContact CB-CG 4.27Å; A28-G164 WeakPolarHBondContact CB-O 3.27Å; A28-D371 WeakPolarHBondContact CA-OD2 3.46Å; A28-L384 WeakPolarHBondContact O-CD2 3.44Å
29L98.8Very high96.6Very high2 Ų240.5 Ų40.51%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-131.2129-172.6-174.368.4000109.9F38 L39 A40 D371 A373 A382 L384 F398L29-F38 HydrophobicContact CD1-CB 4.42Å; L29-F38 HydrophobicContact CD1-CD1 3.92Å; L29-F38 HydrophobicContact CD2-CD1 4.42Å; L29-F38 HydrophobicContact CD2-CE1 4.5Å; L29-F38 HydrophobicContact CG-CD1 4.26Å; L29-L39 WeakPolarHBondContact CA-O 3.49Å; L29-A40 HydrophobicContact CD1-CB 4.11Å; L29-D371 HydrophobicContact CB-CB 4.13Å; L29-D371 PolarHBondContact N-OD2 2.87Å; L29-A373 HydrophobicContact CD2-CB 3.75Å; L29-A373 HydrophobicContact CG-CB 4.02Å; L29-A382 HydrophobicContact CD2-CB 3.71Å; L29-L384 HydrophobicContact CB-CB 3.93Å; L29-L384 HydrophobicContact CB-CD2 4.29Å; L29-L384 HydrophobicContact CD1-CB 4.33Å; L29-L384 HydrophobicContact CD1-CD2 4.49Å; L29-L384 HydrophobicContact CD2-CB 4.09Å; L29-L384 HydrophobicContact CG-CB 4.34Å; L29-F398 HydrophobicContact CD1-CD2 4.29Å; L29-F398 HydrophobicContact CD1-CE2 4.21Å; L29-F398 HydrophobicContact CD2-CD2 4.35Å; L29-F398 HydrophobicContact CD2-CE2 4.12Å
30L98.4Very high97Very high16 Ų1631.4 Ų31.48%0.08416%0.157CC..EExtended strand (participates in β ladder)trans-127.4134.3172.8-177.169000109.5I32 F38 L39 P91 W93 V100L30-I32 HydrophobicContact CD2-CG1 4.42Å; L30-F38 CarbonylContact O-C 3.44Å; L30-F38 WeakPolarHBondContact O-CA 3.19Å; L30-L39 PolarHBondContact N-O 2.89Å; L30-L39 PolarHBondContact O-N 2.93Å; L30-P91 HydrophobicContact CB-CB 4.07Å; L30-P91 HydrophobicContact CB-CG 3.87Å; L30-P91 HydrophobicContact CD2-CB 3.99Å; L30-W93 HydrophobicContact CD1-CB 3.99Å; L30-W93 HydrophobicContact CD2-CB 4.02Å; L30-W93 HydrophobicContact CG-CB 4.37Å; L30-V100 HydrophobicContact CD2-CB 4.44Å; L30-V100 HydrophobicContact CD2-CG1 3.53Å; L30-V100 HydrophobicContact CD2-CG2 4.17Å
31Y97.6Very high97.4Very high16 Ų1626.4 Ų26.46%0.06313%0.13CC..EExtended strand (participates in β ladder)trans-104.7135.2169.2-179.2-113.7000109.8P33 H36 F38 M63 V374 V375Y31-P33 HydrophobicContact CD1-CG 4.09Å; Y31-P33 HydrophobicContact CE1-CB 4.14Å; Y31-P33 HydrophobicContact CE1-CG 4.07Å; Y31-P33 WeakPolarHBondContact O-CD 3.49Å; Y31-H36 PolarHBondContact OH-ND1 2.79Å; Y31-F38 AromaticContact CD2-CD1 3.81Å; Y31-F38 HydrophobicContact CD2-CD1 3.81Å; Y31-F38 AromaticContact CD2-CD2 3.91Å; Y31-F38 HydrophobicContact CD2-CD2 3.91Å; Y31-F38 AromaticContact CD2-CE1 3.59Å; Y31-F38 HydrophobicContact CD2-CE1 3.59Å; Y31-F38 AromaticContact CD2-CE2 3.69Å; Y31-F38 HydrophobicContact CD2-CE2 3.69Å; Y31-F38 AromaticContact CD2-CG 3.98Å; Y31-F38 HydrophobicContact CD2-CG 3.98Å; Y31-F38 AromaticContact CD2-CZ 3.54Å; Y31-F38 HydrophobicContact CD2-CZ 3.54Å; Y31-F38 HydrophobicContact CE2-CD2 4.3Å; Y31-F38 AromaticContact CE2-CE2 3.92Å; Y31-F38 HydrophobicContact CE2-CE2 3.92Å; Y31-F38 HydrophobicContact CE2-CZ 4.07Å; Y31-F38 HydrophobicContact CG-CD1 4.31Å; Y31-F38 AromaticContact CG-CE1 3.94Å; Y31-F38 HydrophobicContact CG-CE1 3.94Å; Y31-F38 HydrophobicContact CG-CZ 4.18Å; Y31-M63 HydrophobicContact CE2-SD 4.32Å; Y31-V374 WeakPolarHBondContact CD1-O 3.3Å; Y31-V375 HydrophobicContact CE1-CB 4.34Å; Y31-V375 HydrophobicContact CE1-CG1 3.98Å
32I97.2Very high97.7Very high2 Ų217.6 Ų17.61%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-113.2100.2-179.7-55.6171.1000107.5L30 T35 H36 T37 L39 V100L30-I32 HydrophobicContact CD2-CG1 4.42Å; I32-T35 WeakPolarHBondContact CG2-OG1 3.44Å; I32-T35 PolarHBondContact O-N 2.95Å; I32-H36 PolarHBondContact O-N 3.1Å; I32-T37 PolarHBondContact N-O 2.97Å; I32-T37 PolarHBondContact O-N 3.19Å; I32-L39 HydrophobicContact CD1-CD1 3.8Å; I32-L39 HydrophobicContact CD1-CG 4.08Å; I32-V100 HydrophobicContact CD1-CG2 3.53Å; I32-V100 HydrophobicContact CG1-CG2 4.2Å
33P94.9Very high97.7Very high28 Ų2816.5 Ų16.518%0.1829%0.091CC..G310 helixtrans-58.7-46.3-171.9-23.331.5000115Y31 T35 H36 W93Y31-P33 HydrophobicContact CD1-CG 4.09Å; Y31-P33 HydrophobicContact CE1-CB 4.14Å; Y31-P33 HydrophobicContact CE1-CG 4.07Å; Y31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-T35 PolarHBondContact O-N 2.74Å; P33-T35 VanDerWaalsContact O-N 3.14Å; P33-H36 PolarHBondContact O-N 3.34Å; P33-H36 VanDerWaalsContact O-N 3.13Å; P33-W93 VanDerWaalsContact CD-CZ3 3.47Å; P33-W93 HydrophobicContact CG-CE3 4.36Å; P33-W93 HydrophobicContact CG-CH2 4.18Å; P33-W93 HydrophobicContact CG-CZ3 3.78Å
34P94.7Very high97.8Very high97 Ų9717.1 Ų17.163%0.639%0.094SC*.G310 helixtrans-61.5-28.2-175.1-26.635.9000114.7W93P34-W93 VanDerWaalsContact CD-CZ2 3.48Å; P34-W93 HydrophobicContact CG-CH2 3.94Å; P34-W93 HydrophobicContact CG-CZ2 3.63Å
35T95.2Very high97.8Very high58 Ų5816.8 Ų16.836%0.3569%0.093SC..G310 helixtrans-109.35.3-178.756.20000112.6I32 P33 T37 S134I32-T35 WeakPolarHBondContact CG2-OG1 3.44Å; I32-T35 PolarHBondContact O-N 2.95Å; P33-T35 PolarHBondContact O-N 2.74Å; P33-T35 VanDerWaalsContact O-N 3.14Å; T35-T37 PolarHBondContact O-N 2.85Å; T35-T37 VanDerWaalsContact O-N 3.09Å; T35-T37 PolarHBondContact O-OG1 2.81Å; T35-T37 PolarHBondContact OG1-OG1 3.33Å; T35-S134 WeakPolarHBondContact CG2-OG 3.2Å; T35-S134 PolarHBondContact OG1-OG 2.83Å; T35-S134 VanDerWaalsContact OG1-OG 3.11Å
36H95.6Very high97.7Very high87 Ų8719 Ų1940%0.40311%0.109SC..THydrogen-bonded Turntrans47.237.8-175.4-62.3-66.1000112.9Y31 I32 P33 M63Y31-H36 PolarHBondContact OH-ND1 2.79Å; I32-H36 PolarHBondContact O-N 3.1Å; P33-H36 PolarHBondContact O-N 3.34Å; P33-H36 VanDerWaalsContact O-N 3.13Å; H36-M63 HydrophobicContact CB-CB 4.24Å; H36-M63 WeakPolarHBondContact O-CB 3.29Å; H36-M63 PolarHBondContact O-N 2.86Å
37T97.4Very high97.5Very high4 Ų419.8 Ų19.83%0.02511%0.114CC..EExtended strand (participates in β ladder)trans-110.1128.5-170.2-64.80000110.9I32 T35 L39 G61I32-T37 PolarHBondContact N-O 2.97Å; I32-T37 PolarHBondContact O-N 3.19Å; T35-T37 PolarHBondContact O-N 2.85Å; T35-T37 VanDerWaalsContact O-N 3.09Å; T35-T37 PolarHBondContact O-OG1 2.81Å; T35-T37 PolarHBondContact OG1-OG1 3.33Å; T37-L39 HydrophobicContact CG2-CD2 4.17Å; T37-G61 CarbonylContact C-O 3.59Å; T37-G61 WeakPolarHBondContact CA-O 3.17Å
38F98.3Very high97.3Very high0 Ų022.7 Ų22.70%014%0.135CC..EExtended strand (participates in β ladder)trans-90.5138.3164.2-72.2-80.8000111L29 L30 Y31 R60 G61 M63 V68 W70 A373 V375 A382 F398 L400L29-F38 HydrophobicContact CD1-CB 4.42Å; L29-F38 HydrophobicContact CD1-CD1 3.92Å; L29-F38 HydrophobicContact CD2-CD1 4.42Å; L29-F38 HydrophobicContact CD2-CE1 4.5Å; L29-F38 HydrophobicContact CG-CD1 4.26Å; L30-F38 CarbonylContact O-C 3.44Å; L30-F38 WeakPolarHBondContact O-CA 3.19Å; Y31-F38 AromaticContact CD2-CD1 3.81Å; Y31-F38 HydrophobicContact CD2-CD1 3.81Å; Y31-F38 AromaticContact CD2-CD2 3.91Å; Y31-F38 HydrophobicContact CD2-CD2 3.91Å; Y31-F38 AromaticContact CD2-CE1 3.59Å; Y31-F38 HydrophobicContact CD2-CE1 3.59Å; Y31-F38 AromaticContact CD2-CE2 3.69Å; Y31-F38 HydrophobicContact CD2-CE2 3.69Å; Y31-F38 AromaticContact CD2-CG 3.98Å; Y31-F38 HydrophobicContact CD2-CG 3.98Å; Y31-F38 AromaticContact CD2-CZ 3.54Å; Y31-F38 HydrophobicContact CD2-CZ 3.54Å; Y31-F38 HydrophobicContact CE2-CD2 4.3Å; Y31-F38 AromaticContact CE2-CE2 3.92Å; Y31-F38 HydrophobicContact CE2-CE2 3.92Å; Y31-F38 HydrophobicContact CE2-CZ 4.07Å; Y31-F38 HydrophobicContact CG-CD1 4.31Å; Y31-F38 AromaticContact CG-CE1 3.94Å; Y31-F38 HydrophobicContact CG-CE1 3.94Å; Y31-F38 HydrophobicContact CG-CZ 4.18Å; F38-R60 CarbonylContact O-C 3.56Å; F38-R60 WeakPolarHBondContact O-CA 3.32Å; F38-G61 PolarHBondContact N-O 2.96Å; F38-G61 PolarHBondContact O-N 2.92Å; F38-M63 HydrophobicContact CE2-CB 4.3Å; F38-M63 HydrophobicContact CE2-CG 4.48Å; F38-M63 HydrophobicContact CE2-SD 4.11Å; F38-V68 HydrophobicContact CD2-CG1 4.12Å; F38-V68 HydrophobicContact CD2-CG2 3.97Å; F38-V68 HydrophobicContact CE2-CG2 3.88Å; F38-W70 HydrophobicContact CB-CH2 3.6Å; F38-W70 HydrophobicContact CB-CZ2 4.32Å; F38-W70 HydrophobicContact CB-CZ3 4.15Å; F38-W70 HydrophobicContact CG-CH2 4.4Å; F38-A373 HydrophobicContact CE1-CB 4.23Å; F38-V375 HydrophobicContact CE1-CG2 4.33Å; F38-V375 HydrophobicContact CE2-CG2 4.38Å; F38-V375 HydrophobicContact CZ-CG2 3.54Å; F38-A382 HydrophobicContact CD1-CB 4.48Å; F38-A382 HydrophobicContact CE1-CB 3.55Å; F38-A382 HydrophobicContact CZ-CB 3.82Å; F38-F398 HydrophobicContact CD1-CE2 4.15Å; F38-F398 HydrophobicContact CD2-CZ 4.28Å; F38-F398 HydrophobicContact CE1-CE2 4.21Å; F38-F398 HydrophobicContact CE1-CZ 4.38Å; F38-F398 HydrophobicContact CE2-CZ 4.12Å; F38-F398 HydrophobicContact CG-CE2 4.33Å; F38-F398 HydrophobicContact CG-CZ 4.47Å; F38-F398 HydrophobicContact CZ-CE2 4.44Å; F38-F398 HydrophobicContact CZ-CZ 4.15Å; F38-L400 HydrophobicContact CZ-CD2 4.13Å
39L98.7Very high97.1Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-113.7114.1165.2-58.2180000108.2L29 L30 I32 T37 F41 R60 V100 W138L29-L39 WeakPolarHBondContact CA-O 3.49Å; L30-L39 PolarHBondContact N-O 2.89Å; L30-L39 PolarHBondContact O-N 2.93Å; I32-L39 HydrophobicContact CD1-CD1 3.8Å; I32-L39 HydrophobicContact CD1-CG 4.08Å; T37-L39 HydrophobicContact CG2-CD2 4.17Å; L39-F41 HydrophobicContact CB-CD2 4.38Å; L39-F41 HydrophobicContact CB-CE2 3.47Å; L39-F41 VanDerWaalsContact CB-CE2 3.47Å; L39-F41 HydrophobicContact CB-CZ 3.79Å; L39-F41 HydrophobicContact CD1-CE2 4.38Å; L39-F41 HydrophobicContact CD1-CZ 4.09Å; L39-R60 HydrophobicContact CD2-CB 4.32Å; L39-R60 HydrophobicContact CD2-CG 3.71Å; L39-V100 HydrophobicContact CD1-CG1 3.94Å; L39-V100 HydrophobicContact CD1-CG2 4.33Å; L39-W138 HydrophobicContact CD1-CH2 4.42Å; L39-W138 HydrophobicContact CD1-CZ2 4.39Å
40A98.8Very high97Very high0 Ų033.2 Ų33.20%018%0.181CC..EExtended strand (participates in β ladder)trans-107.4117176.900000109.2L13 F14 L29 F58 R59 W70 L384L13-A40 HydrophobicContact CD1-CB 3.6Å; F14-A40 HydrophobicContact CE2-CB 4.36Å; L29-A40 HydrophobicContact CD1-CB 4.11Å; A40-F58 CarbonylContact O-C 3.52Å; A40-F58 WeakPolarHBondContact O-CA 3.27Å; A40-F58 WeakPolarHBondContact O-CB 3.31Å; A40-R59 PolarHBondContact N-O 2.74Å; A40-R59 PolarHBondContact O-N 3.2Å; A40-W70 HydrophobicContact CB-CH2 3.81Å; A40-W70 HydrophobicContact CB-CZ3 3.74Å; A40-L384 HydrophobicContact CB-CD1 4.23Å; A40-L384 HydrophobicContact CB-CD2 3.77Å
41F98.8Very high96.9Very high0 Ų034.1 Ų34.10%018%0.184CC..EExtended strand (participates in β ladder)trans-108.3152.8179.7-55.8-93.8000111P27 A28 L39 V57 F58 L76 P89 P91 L102 W138P27-F41 WeakPolarHBondContact CA-O 3.22Å; A28-F41 HydrophobicContact CB-CB 4.25Å; A28-F41 PolarHBondContact N-O 3.29Å; A28-F41 PolarHBondContact O-N 2.85Å; L39-F41 HydrophobicContact CB-CD2 4.38Å; L39-F41 HydrophobicContact CB-CE2 3.47Å; L39-F41 VanDerWaalsContact CB-CE2 3.47Å; L39-F41 HydrophobicContact CB-CZ 3.79Å; L39-F41 HydrophobicContact CD1-CE2 4.38Å; L39-F41 HydrophobicContact CD1-CZ 4.09Å; F41-V57 WeakPolarHBondContact CA-O 3.45Å; F41-F58 HydrophobicContact CD1-CB 3.45Å; F41-F58 VanDerWaalsContact CD1-CB 3.45Å; F41-F58 HydrophobicContact CD1-CG 4.26Å; F41-F58 HydrophobicContact CE1-CB 3.71Å; F41-F58 HydrophobicContact CE1-CD2 4.4Å; F41-F58 HydrophobicContact CE1-CG 4.06Å; F41-F58 HydrophobicContact CG-CB 4.12Å; F41-L76 HydrophobicContact CE1-CD2 4.45Å; F41-P89 HydrophobicContact CB-CB 3.88Å; F41-P89 HydrophobicContact CB-CG 4.11Å; F41-P89 HydrophobicContact CG-CB 4.49Å; F41-P91 HydrophobicContact CD2-CB 4.42Å; F41-P91 HydrophobicContact CD2-CG 3.95Å; F41-P91 HydrophobicContact CE2-CB 3.89Å; F41-P91 HydrophobicContact CE2-CG 3.86Å; F41-L102 HydrophobicContact CD1-CD1 4.14Å; F41-L102 HydrophobicContact CD1-CD2 3.89Å; F41-L102 HydrophobicContact CD2-CD1 4.35Å; F41-L102 HydrophobicContact CE1-CD1 4.13Å; F41-L102 HydrophobicContact CE1-CD2 3.65Å; F41-L102 HydrophobicContact CE1-CG 4.44Å; F41-L102 HydrophobicContact CE2-CD1 4.31Å; F41-L102 HydrophobicContact CG-CD1 4.28Å; F41-L102 HydrophobicContact CZ-CD1 4.22Å; F41-L102 HydrophobicContact CZ-CD2 4.33Å; F41-W138 AromaticContact CE1-CH2 3.93Å; F41-W138 HydrophobicContact CE1-CH2 3.93Å; F41-W138 AromaticContact CE1-CZ2 3.6Å; F41-W138 HydrophobicContact CE1-CZ2 3.6Å; F41-W138 AromaticContact CZ-CH2 3.62Å; F41-W138 HydrophobicContact CZ-CH2 3.62Å; F41-W138 AromaticContact CZ-CZ2 3.57Å; F41-W138 HydrophobicContact CZ-CZ2 3.57Å
42A98.8Very high96.9Very high0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans-151157168.900000110.3F14 L56 V57 I396F14-A42 HydrophobicContact CD1-CB 4.44Å; F14-A42 HydrophobicContact CD2-CB 4.14Å; F14-A42 HydrophobicContact CE1-CB 4.44Å; F14-A42 HydrophobicContact CE2-CB 4.12Å; F14-A42 HydrophobicContact CG-CB 4.3Å; F14-A42 HydrophobicContact CZ-CB 4.28Å; A42-L56 WeakPolarHBondContact O-CA 3.49Å; A42-V57 HydrophobicContact CB-CG2 4.12Å; A42-V57 PolarHBondContact N-O 2.92Å; A42-V57 WeakPolarHBondContact O-CG2 3.42Å; A42-V57 PolarHBondContact O-N 3.13Å; A42-I396 HydrophobicContact CB-CD1 3.58Å
43E98.7Very high96.9Very high0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-75.1131.1164.2-64177.2-16100110Y24 R25 I26 R45 L56 M87 S88Y24-E43 VanDerWaalsContact CA-O 3.27Å; Y24-E43 WeakPolarHBondContact CA-O 3.48Å; R25-E43 PolarHBondContact N-O 3.32Å; R25-E43 WeakPolarHBondContact O-CB 3.29Å; R25-E43 PolarHBondContact O-N 3.11Å; I26-E43 HydrophobicContact CB-CG 4.06Å; I26-E43 WeakPolarHBondContact CB-OE1 3.27Å; I26-E43 HydrophobicContact CG1-CG 4.28Å; I26-E43 VanDerWaalsContact CG1-OE1 3.24Å; I26-E43 WeakPolarHBondContact CG1-OE1 3.5Å; E43-R45 HydrophobicContact CB-CG 4.2Å; E43-R45 IonicContact OE1-NH2 2.75Å; E43-R45 IonicContact OE2-CZ 2.81Å; E43-R45 IonicContact OE2-NE 3.85Å; E43-R45 PolarHBondContact OE2-NE 2.9Å; E43-R45 IonicContact OE2-NH2 3.11Å; E43-R45 PolarHBondContact OE2-NH2 3.44Å; E43-L56 HydrophobicContact CG-CD2 3.93Å; E43-M87 WeakPolarHBondContact OE1-CA 3.24Å; E43-M87 WeakPolarHBondContact OE1-CB 3.24Å; E43-S88 PolarHBondContact OE1-N 3.22Å
44M98.4Very high97.1Very high16 Ų1636.3 Ų36.38%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-88.7125.4164-176-73.2-161.600108.6I22 Y24 V54 Y55 V57I22-M44 HydrophobicContact CB-CE 4.38Å; I22-M44 HydrophobicContact CD1-CE 3.69Å; I22-M44 HydrophobicContact CG1-CE 3.67Å; I22-M44 HydrophobicContact CG2-CE 3.85Å; I22-M44 HydrophobicContact CG2-CG 3.81Å; I22-M44 HydrophobicContact CG2-SD 4.16Å; Y24-M44 HydrophobicContact CD1-CB 4.28Å; Y24-M44 HydrophobicContact CD1-CG 4.48Å; Y24-M44 HydrophobicContact CE1-CB 4.11Å; Y24-M44 HydrophobicContact CE1-CG 3.95Å; M44-V54 PolarHBondContact O-N 3.18Å; M44-V54 HydrophobicContact SD-CB 4.2Å; M44-V54 HydrophobicContact SD-CG2 4Å; M44-Y55 HydrophobicContact CB-CD2 4.11Å; M44-Y55 HydrophobicContact CB-CE2 3.88Å; M44-Y55 HydrophobicContact CG-CE2 4.03Å; M44-Y55 PolarHBondContact N-O 3.02Å; M44-V57 HydrophobicContact CB-CG1 3.95Å
45R98.1Very high97.2Very high1 Ų134.3 Ų34.30%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-127.2148.8-179-47.2-170.3172.7-176.5-8.1111.5I22 T23 E43 S47 S48 D50 D52 A53I22-R45 WeakPolarHBondContact CA-O 3.44Å; T23-R45 PolarHBondContact N-O 3.5Å; T23-R45 PolarHBondContact O-N 2.88Å; E43-R45 HydrophobicContact CB-CG 4.2Å; E43-R45 IonicContact OE1-NH2 2.75Å; E43-R45 IonicContact OE2-CZ 2.81Å; E43-R45 IonicContact OE2-NE 3.85Å; E43-R45 PolarHBondContact OE2-NE 2.9Å; E43-R45 IonicContact OE2-NH2 3.11Å; E43-R45 PolarHBondContact OE2-NH2 3.44Å; R45-S47 VanDerWaalsContact C-N 3.31Å; R45-S47 WeakPolarHBondContact CB-O 3.33Å; R45-S48 PolarHBondContact NH1-O 2.9Å; R45-S48 VanDerWaalsContact NH1-O 3.09Å; R45-D50 IonicContact CZ-OD1 3.41Å; R45-D50 VanDerWaalsContact CZ-OD1 3.24Å; R45-D50 IonicContact NH1-OD1 3.5Å; R45-D50 PolarHBondContact NH1-OD1 3.36Å; R45-D50 IonicContact NH2-OD1 2.68Å; R45-D50 PolarHBondContact NH2-OD1 2.86Å; R45-D52 CarbonylContact C-O 3.54Å; R45-D52 VanDerWaalsContact CA-O 3.29Å; R45-D52 WeakPolarHBondContact CA-O 3.45Å; R45-A53 HydrophobicContact CG-CB 4.03Å
46T97Very high97.4Very high65 Ų6531.5 Ų31.540%0.39916%0.161SC..SBendtrans-86.2-2.3174.356.70000113.6R21 D52 V54R21-T46 CarbonylContact O-C 3.45Å; R21-T46 WeakPolarHBondContact O-CA 3.41Å; T46-D52 PolarHBondContact N-O 2.86Å; T46-D52 WeakPolarHBondContact OG1-CB 3.32Å; T46-D52 PolarHBondContact OG1-O 3.3Å; T46-V54 HydrophobicContact CG2-CG2 3.83Å
47S95Very high97.5Very high22 Ų2227.4 Ų27.415%0.15414%0.143CC..SBendtrans-159.9-179.5165.594.40000109.5R45 R49 D52R45-S47 VanDerWaalsContact C-N 3.31Å; R45-S47 WeakPolarHBondContact CB-O 3.33Å; S47-R49 PolarHBondContact O-N 2.9Å; S47-R49 WeakPolarHBondContact OG-CB 3.39Å; S47-R49 WeakPolarHBondContact OG-CG 3.49Å; S47-R49 PolarHBondContact OG-N 2.54Å; S47-R49 VanDerWaalsContact OG-N 3.07Å; S47-D52 VanDerWaalsContact CB-OD2 3.27Å; S47-D52 WeakPolarHBondContact CB-OD2 3.11Å; S47-D52 PolarHBondContact OG-OD2 3.2Å
48S93Very high97.6Very high62 Ų6227.4 Ų27.443%0.43414%0.142SC..SBendtrans-67.3-14.2174.856.20000114.4R45 D393R45-S48 PolarHBondContact NH1-O 2.9Å; R45-S48 VanDerWaalsContact NH1-O 3.09Å; S48-D393 WeakPolarHBondContact CB-OD2 3.39Å
49R95.6Very high97.6Very high140 Ų14030.2 Ų30.253%0.52815%0.153SC..SBendtrans-74.3143.6-175.6-62.3178.261.5-179.3-3.3112.3S47 E51 D52S47-R49 PolarHBondContact O-N 2.9Å; S47-R49 WeakPolarHBondContact OG-CB 3.39Å; S47-R49 WeakPolarHBondContact OG-CG 3.49Å; S47-R49 PolarHBondContact OG-N 2.54Å; S47-R49 VanDerWaalsContact OG-N 3.07Å; R49-E51 IonicContact CZ-OE2 3.5Å; R49-E51 IonicContact NE-OE2 2.65Å; R49-E51 PolarHBondContact NE-OE2 2.87Å; R49-E51 IonicContact NH2-OE1 3.06Å; R49-E51 IonicContact NH2-OE2 2.73Å; R49-E51 PolarHBondContact NH2-OE2 3.45Å; R49-E51 PolarHBondContact O-N 2.73Å; R49-D52 HydrophobicContact CB-CB 4.4Å; R49-D52 PolarHBondContact O-N 3.45Å; R49-D52 VanDerWaalsContact O-N 3.1Å
50D96.9Very high97.6Very high83 Ų8333 Ų3344%0.44416%0.163SC..G310 helixtrans-59.5-31.4175.1-69-14.8000112.6R45 D52 R85 M87R45-D50 IonicContact CZ-OD1 3.41Å; R45-D50 VanDerWaalsContact CZ-OD1 3.24Å; R45-D50 IonicContact NH1-OD1 3.5Å; R45-D50 PolarHBondContact NH1-OD1 3.36Å; R45-D50 IonicContact NH2-OD1 2.68Å; R45-D50 PolarHBondContact NH2-OD1 2.86Å; D50-D52 PolarHBondContact O-N 3.49Å; D50-R85 PolarHBondContact O-NE 2.8Å; D50-M87 HydrophobicContact CB-CE 3.77Å; D50-M87 WeakPolarHBondContact O-CE 3.43Å
51E97.1Very high97.6Very high35 Ų3533 Ų3316%0.16416%0.163CC..G310 helixtrans-72.7-13.2179.3-5694.6174.700114.9R49 H110 S112R49-E51 IonicContact CZ-OE2 3.5Å; R49-E51 IonicContact NE-OE2 2.65Å; R49-E51 PolarHBondContact NE-OE2 2.87Å; R49-E51 IonicContact NH2-OE1 3.06Å; R49-E51 IonicContact NH2-OE2 2.73Å; R49-E51 PolarHBondContact NH2-OE2 3.45Å; R49-E51 PolarHBondContact O-N 2.73Å; E51-H110 PolarHBondContact O-ND1 3.47Å; E51-S112 WeakPolarHBondContact OE1-CB 3.42Å
52D96.9Very high97.5Very high33 Ų3335.7 Ų35.718%0.17618%0.18CC..G310 helixtrans-103.47.6-174.1-66.7-19.2000112.1R45 T46 S47 R49 D50R45-D52 CarbonylContact C-O 3.54Å; R45-D52 VanDerWaalsContact CA-O 3.29Å; R45-D52 WeakPolarHBondContact CA-O 3.45Å; T46-D52 PolarHBondContact N-O 2.86Å; T46-D52 WeakPolarHBondContact OG1-CB 3.32Å; T46-D52 PolarHBondContact OG1-O 3.3Å; S47-D52 VanDerWaalsContact CB-OD2 3.27Å; S47-D52 WeakPolarHBondContact CB-OD2 3.11Å; S47-D52 PolarHBondContact OG-OD2 3.2Å; R49-D52 HydrophobicContact CB-CB 4.4Å; R49-D52 PolarHBondContact O-N 3.45Å; R49-D52 VanDerWaalsContact O-N 3.1Å; D50-D52 PolarHBondContact O-N 3.49Å
53A97.9Very high97.2Very high4 Ų436.3 Ų36.33%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-61.6145.6166.800000111R45 R85 M87R45-A53 HydrophobicContact CG-CB 4.03Å; A53-R85 WeakPolarHBondContact O-CB 3.33Å; A53-M87 HydrophobicContact CB-CE 4.4Å; A53-M87 HydrophobicContact CB-CG 3.7Å; A53-M87 HydrophobicContact CB-SD 4.26Å
54V97.5Very high96.8Very high55 Ų5541.5 Ų41.533%0.33321%0.205SC..EExtended strand (participates in β ladder)trans-121-65.6-176.2-167.40000110.1M44 T46 T86M44-V54 PolarHBondContact O-N 3.18Å; M44-V54 HydrophobicContact SD-CB 4.2Å; M44-V54 HydrophobicContact SD-CG2 4Å; T46-V54 HydrophobicContact CG2-CG2 3.83Å; V54-T86 PolarHBondContact O-N 3.1Å
55Y98.2Very high96.2Very high55 Ų5542 Ų4222%0.21622%0.215CC..EExtended strand (participates in β ladder)trans-149.2172.4-17952.3-105.9000110.5M44 V57 P75 M77M44-Y55 HydrophobicContact CB-CD2 4.11Å; M44-Y55 HydrophobicContact CB-CE2 3.88Å; M44-Y55 HydrophobicContact CG-CE2 4.03Å; M44-Y55 PolarHBondContact N-O 3.02Å; Y55-V57 HydrophobicContact CD2-CG1 4.11Å; Y55-V57 HydrophobicContact CE2-CG1 3.71Å; Y55-P75 HydrophobicContact CD2-CB 4.24Å; Y55-P75 HydrophobicContact CE2-CB 3.8Å; Y55-M77 HydrophobicContact CD1-CE 4.16Å; Y55-M77 HydrophobicContact CD1-SD 3.71Å; Y55-M77 HydrophobicContact CD2-SD 4.28Å; Y55-M77 HydrophobicContact CE1-SD 4.09Å; Y55-M77 HydrophobicContact CG-SD 3.84Å
56L98.7Very high95.5Very high0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-85.6143.6173.6-58.4178.1000110.9A42 E43 L76 A79 T86 P89 L102 F104A42-L56 WeakPolarHBondContact O-CA 3.49Å; E43-L56 HydrophobicContact CG-CD2 3.93Å; L56-L76 HydrophobicContact CB-CB 4.33Å; L56-L76 WeakPolarHBondContact O-CB 3.36Å; L56-L76 PolarHBondContact O-N 2.92Å; L56-A79 HydrophobicContact CD1-CB 4.37Å; L56-T86 HydrophobicContact CD1-CG2 3.86Å; L56-T86 HydrophobicContact CD2-CG2 4.26Å; L56-T86 HydrophobicContact CG-CG2 3.65Å; L56-P89 HydrophobicContact CD1-CB 4.11Å; L56-P89 HydrophobicContact CD2-CB 4.2Å; L56-P89 HydrophobicContact CD2-CG 4.15Å; L56-L102 HydrophobicContact CD1-CD2 4.01Å; L56-F104 HydrophobicContact CD1-CB 4.11Å; L56-F104 HydrophobicContact CD1-CD1 4.22Å; L56-F104 HydrophobicContact CD1-CG 4.23Å
57V98.7Very high95.1Very high1 Ų144.6 Ų44.61%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-115.3155.4166-68.60000109.1F14 Y24 F41 A42 M44 Y55 Q73 Q74F14-V57 HydrophobicContact CD1-CG2 3.86Å; F14-V57 HydrophobicContact CE1-CB 4.24Å; F14-V57 HydrophobicContact CE1-CG2 3.55Å; F14-V57 HydrophobicContact CZ-CG2 4.41Å; Y24-V57 HydrophobicContact CD1-CG2 3.65Å; Y24-V57 HydrophobicContact CE1-CG1 4.31Å; Y24-V57 HydrophobicContact CE1-CG2 3.76Å; F41-V57 WeakPolarHBondContact CA-O 3.45Å; A42-V57 HydrophobicContact CB-CG2 4.12Å; A42-V57 PolarHBondContact N-O 2.92Å; A42-V57 WeakPolarHBondContact O-CG2 3.42Å; A42-V57 PolarHBondContact O-N 3.13Å; M44-V57 HydrophobicContact CB-CG1 3.95Å; Y55-V57 HydrophobicContact CD2-CG1 4.11Å; Y55-V57 HydrophobicContact CE2-CG1 3.71Å; V57-Q73 HydrophobicContact CB-CG 4.05Å; V57-Q73 HydrophobicContact CG1-CG 4.35Å; V57-Q74 CarbonylContact C-O 3.56Å; V57-Q74 VanDerWaalsContact CA-O 3.32Å; V57-Q74 WeakPolarHBondContact CA-O 3.43Å
58F98.6Very high95.1Very high4 Ų444.1 Ų44.12%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-145.4163173.776.8-73.3000112.8A40 F41 R60 Q74 L76 G135 W138A40-F58 CarbonylContact O-C 3.52Å; A40-F58 WeakPolarHBondContact O-CA 3.27Å; A40-F58 WeakPolarHBondContact O-CB 3.31Å; F41-F58 HydrophobicContact CD1-CB 3.45Å; F41-F58 VanDerWaalsContact CD1-CB 3.45Å; F41-F58 HydrophobicContact CD1-CG 4.26Å; F41-F58 HydrophobicContact CE1-CB 3.71Å; F41-F58 HydrophobicContact CE1-CD2 4.4Å; F41-F58 HydrophobicContact CE1-CG 4.06Å; F41-F58 HydrophobicContact CG-CB 4.12Å; F58-R60 HydrophobicContact CD2-CG 4.1Å; F58-R60 HydrophobicContact CE2-CG 3.69Å; F58-Q74 HydrophobicContact CD1-CB 4.04Å; F58-Q74 HydrophobicContact CE1-CB 3.6Å; F58-Q74 HydrophobicContact CZ-CB 4.01Å; F58-Q74 PolarHBondContact N-O 3.01Å; F58-Q74 PolarHBondContact O-N 3.14Å; F58-L76 HydrophobicContact CD1-CB 4.13Å; F58-L76 HydrophobicContact CD1-CD1 4.48Å; F58-L76 HydrophobicContact CE1-CB 4.37Å; F58-L76 HydrophobicContact CE1-CD1 4.08Å; F58-G135 WeakPolarHBondContact CE2-O 3.08Å; F58-W138 AromaticContact CE1-NE1 3.71Å; F58-W138 AromaticContact CE2-NE1 3.78Å; F58-W138 AromaticContact CZ-NE1 3.35Å; F58-W138 VanDerWaalsContact CZ-NE1 3.35Å
59R98.6Very high95.3Very high59 Ų5946.4 Ų46.422%0.22324%0.235CC..EExtended strand (participates in β ladder)trans-128.9144.8166.9-70.5-177.2-178.4-100.66.3109.5L13 F14 A40 W70 G71 Q73L13-R59 PolarHBondContact O-NE 2.96Å; L13-R59 PolarHBondContact O-NH2 2.95Å; F14-R59 HydrophobicContact CE1-CG 4.27Å; F14-R59 HydrophobicContact CZ-CG 4.17Å; A40-R59 PolarHBondContact N-O 2.74Å; A40-R59 PolarHBondContact O-N 3.2Å; R59-W70 HydrophobicContact CB-CE3 3.8Å; R59-W70 HydrophobicContact CB-CZ3 4.17Å; R59-G71 PolarHBondContact NH1-O 3.39Å; R59-Q73 HydrophobicContact CG-CB 4.22Å
60R98.4Very high95.4Very high58 Ų5842 Ų4222%0.21922%0.218CC..EExtended strand (participates in β ladder)trans-99.8132.5169.4-54.6-179.268.5-127.9-4.1108.9F38 L39 F58 G71 S134 G135 C136F38-R60 CarbonylContact O-C 3.56Å; F38-R60 WeakPolarHBondContact O-CA 3.32Å; L39-R60 HydrophobicContact CD2-CB 4.32Å; L39-R60 HydrophobicContact CD2-CG 3.71Å; F58-R60 HydrophobicContact CD2-CG 4.1Å; F58-R60 HydrophobicContact CE2-CG 3.69Å; R60-G71 PolarHBondContact O-N 3.23Å; R60-S134 PolarHBondContact NE-O 3.37Å; R60-S134 VanDerWaalsContact NE-O 3.1Å; R60-S134 PolarHBondContact NH2-O 2.91Å; R60-G135 VanDerWaalsContact CD-O 3.24Å; R60-G135 WeakPolarHBondContact CD-O 3.44Å; R60-C136 PolarHBondContact NH1-SG 3.19Å; R60-C136 PolarHBondContact NH2-SG 2.63Å
61G97.9Very high95.4Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-124124.3176.400000110.3T37 F38 E69 W70T37-G61 CarbonylContact C-O 3.59Å; T37-G61 WeakPolarHBondContact CA-O 3.17Å; F38-G61 PolarHBondContact N-O 2.96Å; F38-G61 PolarHBondContact O-N 2.92Å; G61-E69 CarbonylContact C-O 3.55Å; G61-E69 WeakPolarHBondContact CA-O 3.48Å; G61-W70 VanDerWaalsContact CA-CE3 3.44Å
62V97Very high95.4Very high57 Ų5742.1 Ų42.135%0.34523%0.231SC..EExtended strand (participates in β ladder)trans-96.9122.1175.8-178.20000108.7E69V62-E69 PolarHBondContact N-O 2.97Å; V62-E69 PolarHBondContact O-N 3.24Å
63M93.6Very high95.5Very high12 Ų1243.4 Ų43.46%0.05924%0.236CC..EExtended strand (participates in β ladder)trans-74.8128.1178.2-166.1177.2-150.500110.2Y31 H36 F38 G65 S67 V68 V375 L380 L400Y31-M63 HydrophobicContact CE2-SD 4.32Å; H36-M63 HydrophobicContact CB-CB 4.24Å; H36-M63 WeakPolarHBondContact O-CB 3.29Å; H36-M63 PolarHBondContact O-N 2.86Å; F38-M63 HydrophobicContact CE2-CB 4.3Å; F38-M63 HydrophobicContact CE2-CG 4.48Å; F38-M63 HydrophobicContact CE2-SD 4.11Å; M63-G65 WeakPolarHBondContact CG-O 3.49Å; M63-S67 CarbonylContact C-O 3.52Å; M63-S67 WeakPolarHBondContact CA-O 3.25Å; M63-V68 HydrophobicContact CG-CG2 4.39Å; M63-V375 HydrophobicContact CE-CG1 4.01Å; M63-V375 HydrophobicContact CE-CG2 4.06Å; M63-V375 HydrophobicContact SD-CG1 3.64Å; M63-V375 HydrophobicContact SD-CG2 4.18Å; M63-L380 HydrophobicContact CE-CD1 3.77Å; M63-L400 HydrophobicContact CE-CD1 3.84Å; M63-L400 HydrophobicContact CE-CD2 3.97Å
64K90.4Very high95.5Very high109 Ų10946.7 Ų46.747%0.47425%0.251SS..EExtended strand (participates in β ladder)trans-128.9101.2173.9-64.6-171.4-169.8169.50108.5C66 S67 E69K64-C66 PolarHBondContact O-N 2.74Å; K64-S67 PolarHBondContact N-O 3.04Å; K64-S67 PolarHBondContact O-N 3.46Å; K64-S67 PolarHBondContact O-OG 3.44Å; K64-E69 HydrophobicContact CD-CG 4.43Å; K64-E69 VanDerWaalsContact CD-OE1 3.32Å; K64-E69 WeakPolarHBondContact CD-OE1 3.29Å; K64-E69 VanDerWaalsContact CE-CD 3.44Å; K64-E69 WeakPolarHBondContact CE-OE1 3.22Å; K64-E69 WeakPolarHBondContact CE-OE2 3.44Å; K64-E69 IonicContact NZ-OE1 2.7Å; K64-E69 PolarHBondContact NZ-OE1 2.82Å; K64-E69 IonicContact NZ-OE2 3.31Å; K64-E69 PolarHBondContact NZ-OE2 2.94Å
65G84.9Confident95.5Very high28 Ų2847.4 Ų47.429%0.28926%0.256SS..THydrogen-bonded Turntrans61.1-131.6-170.200000111.3M63 S67M63-G65 WeakPolarHBondContact CG-O 3.49Å; G65-S67 PolarHBondContact O-N 3.31Å
66C82.5Confident95.5Very high69 Ų6944.8 Ų44.847%0.46625%0.246SC..THydrogen-bonded Turntrans-85.617.5177.3-53.70000113.7K64K64-C66 PolarHBondContact O-N 2.74Å
67S89.6Confident95.5Very high50 Ų5049.2 Ų49.235%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-126.7158.6-178.472.40000112.4M63 K64 G65M63-S67 CarbonylContact C-O 3.52Å; M63-S67 WeakPolarHBondContact CA-O 3.25Å; K64-S67 PolarHBondContact N-O 3.04Å; K64-S67 PolarHBondContact O-N 3.46Å; K64-S67 PolarHBondContact O-OG 3.44Å; G65-S67 PolarHBondContact O-N 3.31Å
68V95.2Very high95.4Very high13 Ų1353.7 Ų53.78%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-125.5121.1177.7-173.80000109.6F38 M63 W70 F398 L400F38-V68 HydrophobicContact CD2-CG1 4.12Å; F38-V68 HydrophobicContact CD2-CG2 3.97Å; F38-V68 HydrophobicContact CE2-CG2 3.88Å; M63-V68 HydrophobicContact CG-CG2 4.39Å; V68-W70 HydrophobicContact CB-CZ2 4.48Å; V68-W70 HydrophobicContact CG1-CD2 4.03Å; V68-W70 HydrophobicContact CG1-CG 4.36Å; V68-W70 HydrophobicContact CG1-CH2 4.49Å; V68-W70 HydrophobicContact CG1-CZ2 3.78Å; V68-W70 PolarHBondContact O-N 3.42Å; V68-F398 HydrophobicContact CB-CE1 4.29Å; V68-F398 HydrophobicContact CG2-CE1 3.78Å; V68-F398 HydrophobicContact CG2-CZ 3.9Å; V68-L400 HydrophobicContact CG2-CD1 3.66Å; V68-L400 HydrophobicContact CG2-CG 4.48Å
69E96.4Very high95.4Very high109 Ų10953.5 Ų53.551%0.50929%0.288SS..EExtended strand (participates in β ladder)trans-88.3105.2172.5-72.1-176.8-167.900109.7G61 V62 K64G61-E69 CarbonylContact C-O 3.55Å; G61-E69 WeakPolarHBondContact CA-O 3.48Å; V62-E69 PolarHBondContact N-O 2.97Å; V62-E69 PolarHBondContact O-N 3.24Å; K64-E69 HydrophobicContact CD-CG 4.43Å; K64-E69 VanDerWaalsContact CD-OE1 3.32Å; K64-E69 WeakPolarHBondContact CD-OE1 3.29Å; K64-E69 VanDerWaalsContact CE-CD 3.44Å; K64-E69 WeakPolarHBondContact CE-OE1 3.22Å; K64-E69 WeakPolarHBondContact CE-OE2 3.44Å; K64-E69 IonicContact NZ-OE1 2.7Å; K64-E69 PolarHBondContact NZ-OE1 2.82Å; K64-E69 IonicContact NZ-OE2 3.31Å; K64-E69 PolarHBondContact NZ-OE2 2.94Å
70W98Very high95.3Very high48 Ų4852.7 Ų52.718%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-83.7130.1-180-67.598.6000112.3L13 F38 A40 R59 G61 V68 F398L13-W70 HydrophobicContact CD1-CD2 3.99Å; L13-W70 HydrophobicContact CD1-CE3 3.99Å; L13-W70 HydrophobicContact CD1-CH2 3.59Å; L13-W70 HydrophobicContact CD1-CZ2 3.6Å; L13-W70 HydrophobicContact CD1-CZ3 3.8Å; L13-W70 HydrophobicContact CD2-CB 4.47Å; L13-W70 HydrophobicContact CD2-CD2 3.61Å; L13-W70 HydrophobicContact CD2-CE3 4.28Å; L13-W70 HydrophobicContact CD2-CG 3.67Å; L13-W70 HydrophobicContact CD2-CZ2 4.27Å; L13-W70 HydrophobicContact CG-CD2 4.49Å; F38-W70 HydrophobicContact CB-CH2 3.6Å; F38-W70 HydrophobicContact CB-CZ2 4.32Å; F38-W70 HydrophobicContact CB-CZ3 4.15Å; F38-W70 HydrophobicContact CG-CH2 4.4Å; A40-W70 HydrophobicContact CB-CH2 3.81Å; A40-W70 HydrophobicContact CB-CZ3 3.74Å; R59-W70 HydrophobicContact CB-CE3 3.8Å; R59-W70 HydrophobicContact CB-CZ3 4.17Å; G61-W70 VanDerWaalsContact CA-CE3 3.44Å; V68-W70 HydrophobicContact CB-CZ2 4.48Å; V68-W70 HydrophobicContact CG1-CD2 4.03Å; V68-W70 HydrophobicContact CG1-CG 4.36Å; V68-W70 HydrophobicContact CG1-CH2 4.49Å; V68-W70 HydrophobicContact CG1-CZ2 3.78Å; V68-W70 PolarHBondContact O-N 3.42Å; W70-F398 HydrophobicContact CH2-CD2 4.13Å; W70-F398 HydrophobicContact CH2-CE2 4.21Å; W70-F398 HydrophobicContact CZ2-CB 4.27Å; W70-F398 AromaticContact CZ2-CD1 3.83Å; W70-F398 HydrophobicContact CZ2-CD1 3.83Å; W70-F398 AromaticContact CZ2-CD2 3.57Å; W70-F398 HydrophobicContact CZ2-CD2 3.57Å; W70-F398 AromaticContact CZ2-CE1 3.94Å; W70-F398 HydrophobicContact CZ2-CE1 3.94Å; W70-F398 AromaticContact CZ2-CE2 3.68Å; W70-F398 HydrophobicContact CZ2-CE2 3.68Å; W70-F398 AromaticContact CZ2-CG 3.63Å; W70-F398 HydrophobicContact CZ2-CG 3.63Å; W70-F398 AromaticContact CZ2-CZ 3.88Å; W70-F398 HydrophobicContact CZ2-CZ 3.88Å; W70-F398 AromaticContact NE1-CD1 3.94Å
71G97.4Very high95.3Very high25 Ų2551.3 Ų51.326%0.25829%0.287SS..  trans-72.9177.2167.100000113.3R59 R60R59-G71 PolarHBondContact NH1-O 3.39Å; R60-G71 PolarHBondContact O-N 3.23Å
72P97.6Very high95.2Very high96 Ų9657.1 Ų57.162%0.62332%0.324SS*.  trans-63.3156.7176.429.6-35.5000111.4
73Q98.2Very high95.2Very high59 Ų5957.4 Ų57.428%0.27634%0.338SS..  trans-67.2132.8167.8178.8178.9-56.700109.7F14 Y24 V57 R59F14-Q73 HydrophobicContact CD1-CG 4.46Å; F14-Q73 HydrophobicContact CE1-CG 4.12Å; Y24-Q73 PolarHBondContact OH-NE2 3.29Å; V57-Q73 HydrophobicContact CB-CG 4.05Å; V57-Q73 HydrophobicContact CG1-CG 4.35Å; R59-Q73 HydrophobicContact CG-CB 4.22Å
74Q98Very high95.4Very high73 Ų7359.1 Ų59.134%0.34135%0.346SS..EExtended strand (participates in β ladder)trans-120.3130.6177.8-62.7-178.6-90.300109.7V57 F58V57-Q74 CarbonylContact C-O 3.56Å; V57-Q74 VanDerWaalsContact CA-O 3.32Å; V57-Q74 WeakPolarHBondContact CA-O 3.43Å; F58-Q74 HydrophobicContact CD1-CB 4.04Å; F58-Q74 HydrophobicContact CE1-CB 3.6Å; F58-Q74 HydrophobicContact CZ-CB 4.01Å; F58-Q74 PolarHBondContact N-O 3.01Å; F58-Q74 PolarHBondContact O-N 3.14Å
75P98Very high95.8Very high70 Ų7054.6 Ų54.646%0.45533%0.326SS..EExtended strand (participates in β ladder)trans-69.8138.5165.631.4-32.9000109.4Y55 M77Y55-P75 HydrophobicContact CD2-CB 4.24Å; Y55-P75 HydrophobicContact CE2-CB 3.8Å; P75-M77 HydrophobicContact CB-CG 4.27Å; P75-M77 HydrophobicContact CB-SD 4.19Å
76L98.2Very high96.4Very high1 Ų153.2 Ų53.21%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-103.675.8177-171.963000109.4F41 L56 F58 E78 A79 L102 W138F41-L76 HydrophobicContact CE1-CD2 4.45Å; L56-L76 HydrophobicContact CB-CB 4.33Å; L56-L76 WeakPolarHBondContact O-CB 3.36Å; L56-L76 PolarHBondContact O-N 2.92Å; F58-L76 HydrophobicContact CD1-CB 4.13Å; F58-L76 HydrophobicContact CD1-CD1 4.48Å; F58-L76 HydrophobicContact CE1-CB 4.37Å; F58-L76 HydrophobicContact CE1-CD1 4.08Å; L76-E78 VanDerWaalsContact C-N 3.26Å; L76-E78 PolarHBondContact O-N 2.87Å; L76-A79 HydrophobicContact CD2-CB 3.79Å; L76-A79 HydrophobicContact CG-CB 3.77Å; L76-A79 PolarHBondContact O-N 3.13Å; L76-L102 HydrophobicContact CD2-CD2 3.32Å; L76-W138 HydrophobicContact CD1-CB 4.01Å; L76-W138 HydrophobicContact CD1-CD2 4.08Å; L76-W138 HydrophobicContact CD1-CG 3.52Å
77M97.6Very high97.2Very high93 Ų9350.5 Ų50.546%0.45829%0.293SS..THydrogen-bonded Turntrans-72.6-23.4-174.7-62.6-53.4-57.600112.5Y55 P75 A79 T80Y55-M77 HydrophobicContact CD1-CE 4.16Å; Y55-M77 HydrophobicContact CD1-SD 3.71Å; Y55-M77 HydrophobicContact CD2-SD 4.28Å; Y55-M77 HydrophobicContact CE1-SD 4.09Å; Y55-M77 HydrophobicContact CG-SD 3.84Å; P75-M77 HydrophobicContact CB-CG 4.27Å; P75-M77 HydrophobicContact CB-SD 4.19Å; M77-A79 PolarHBondContact O-N 3.3Å; M77-T80 HydrophobicContact CE-CG2 4.45Å; M77-T80 WeakPolarHBondContact O-CG2 3.21Å; M77-T80 PolarHBondContact O-N 3.46Å; M77-T80 PolarHBondContact O-OG1 2.87Å
78E97.7Very high97.6Very high95 Ų9548.7 Ų48.744%0.44428%0.28SS..THydrogen-bonded Turntrans-60.6-28.9172.9-60.981.1178.400111.3L76 T80 L129 V141L76-E78 VanDerWaalsContact C-N 3.26Å; L76-E78 PolarHBondContact O-N 2.87Å; E78-T80 PolarHBondContact O-N 2.92Å; E78-T80 VanDerWaalsContact O-N 3.13Å; E78-L129 VanDerWaalsContact C-CD2 3.45Å; E78-L129 HydrophobicContact CB-CD2 3.74Å; E78-V141 WeakPolarHBondContact O-CB 3.28Å
79A97.8Very high97.8Very high0 Ų048 Ų480%028%0.276CS..SBendtrans-84.845.4176.800000112.4L56 L76 M77 T86 F104 L129L56-A79 HydrophobicContact CD1-CB 4.37Å; L76-A79 HydrophobicContact CD2-CB 3.79Å; L76-A79 HydrophobicContact CG-CB 3.77Å; L76-A79 PolarHBondContact O-N 3.13Å; M77-A79 PolarHBondContact O-N 3.3Å; A79-T86 WeakPolarHBondContact O-CB 3.4Å; A79-T86 WeakPolarHBondContact O-CG2 3.41Å; A79-T86 PolarHBondContact O-OG1 3.44Å; A79-F104 HydrophobicContact CB-CD1 4.34Å; A79-F104 HydrophobicContact CB-CE1 3.7Å; A79-F104 HydrophobicContact CB-CE2 4.15Å; A79-F104 HydrophobicContact CB-CZ 3.57Å; A79-L129 HydrophobicContact CB-CD2 3.76Å; A79-L129 HydrophobicContact CB-CG 4.45Å
80T97.6Very high97.9Very high42 Ų4242.9 Ų42.926%0.25825%0.252SS..  trans-134.1150.9-18065.80000112.5M77 E78M77-T80 HydrophobicContact CE-CG2 4.45Å; M77-T80 WeakPolarHBondContact O-CG2 3.21Å; M77-T80 PolarHBondContact O-N 3.46Å; M77-T80 PolarHBondContact O-OG1 2.87Å; E78-T80 PolarHBondContact O-N 2.92Å; E78-T80 VanDerWaalsContact O-N 3.13Å
81L97.2Very high97.9Very high29 Ų2940.6 Ų40.615%0.15224%0.244CC..  trans-115.9141.8168.2-68.5-177.7000109.7G83 H84 C106 R125 V141L81-G83 PolarHBondContact O-N 2.82Å; L81-H84 HydrophobicContact CB-CB 4.06Å; L81-H84 PolarHBondContact O-N 3.32Å; L81-C106 HydrophobicContact CB-CB 4.32Å; L81-C106 HydrophobicContact CD1-CB 3.8Å; L81-C106 HydrophobicContact CG-CB 4.16Å; L81-R125 HydrophobicContact CD1-CB 4.35Å; L81-V141 HydrophobicContact CD2-CG1 3.95Å; L81-V141 HydrophobicContact CD2-CG2 4.35Å
82P96.4Very high97.9Very high122 Ų12239.4 Ų39.479%0.79223%0.232SC*.THydrogen-bonded Turntrans-53.4128.5178.5-27.735.2000112.4H84P82-H84 PolarHBondContact O-N 2.7Å; P82-H84 PolarHBondContact O-ND1 2.85Å
83G97Very high98Very high62 Ų6237.2 Ų37.264%0.63921%0.211SC*.THydrogen-bonded Turntrans7113.7179.700000115.1L81 G109L81-G83 PolarHBondContact O-N 2.82Å; G83-G109 PolarHBondContact O-N 3.31Å
84H98.2Very high97.9Very high48 Ų4834.4 Ų34.422%0.22220%0.198CC..EExtended strand (participates in β ladder)trans-119152.4176.1-61.668.2000110.8L81 P82 C106 V107 Q108L81-H84 HydrophobicContact CB-CB 4.06Å; L81-H84 PolarHBondContact O-N 3.32Å; P82-H84 PolarHBondContact O-N 2.7Å; P82-H84 PolarHBondContact O-ND1 2.85Å; H84-C106 HydrophobicContact CB-CB 3.9Å; H84-V107 CarbonylContact C-O 3.5Å; H84-V107 WeakPolarHBondContact CA-O 3.4Å; H84-V107 WeakPolarHBondContact CB-O 3.25Å; H84-Q108 PolarHBondContact CD2-N 3.19Å
85R97.9Very high97.8Very high14 Ų1435.2 Ų35.25%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-94.7145.7164.663.8-179.8-160.5-109.90.8110.6D50 A53 M87 C106 V107 G109 V111D50-R85 PolarHBondContact O-NE 2.8Å; A53-R85 WeakPolarHBondContact O-CB 3.33Å; R85-M87 HydrophobicContact CG-CG 4.4Å; R85-M87 HydrophobicContact CG-SD 4.33Å; R85-M87 PolarHBondContact NE-SD 3.32Å; R85-C106 CarbonylContact O-C 3.5Å; R85-C106 VanDerWaalsContact O-CA 3.31Å; R85-C106 WeakPolarHBondContact O-CA 3.41Å; R85-V107 HydrophobicContact CG-CB 4.08Å; R85-V107 PolarHBondContact N-O 3.33Å; R85-V107 PolarHBondContact O-N 3.16Å; R85-G109 PolarHBondContact NH1-O 2.92Å; R85-V111 PolarHBondContact NH1-O 3.37Å; R85-V111 PolarHBondContact NH2-O 2.83Å
86T98.3Very high97.7Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-100.8133.2179.4-50.60000111.5V54 L56 A79 F104 I105V54-T86 PolarHBondContact O-N 3.1Å; L56-T86 HydrophobicContact CD1-CG2 3.86Å; L56-T86 HydrophobicContact CD2-CG2 4.26Å; L56-T86 HydrophobicContact CG-CG2 3.65Å; A79-T86 WeakPolarHBondContact O-CB 3.4Å; A79-T86 WeakPolarHBondContact O-CG2 3.41Å; A79-T86 PolarHBondContact O-OG1 3.44Å; T86-F104 HydrophobicContact CG2-CB 4.09Å; T86-F104 HydrophobicContact CG2-CD2 3.37Å; T86-F104 HydrophobicContact CG2-CE2 3.89Å; T86-F104 HydrophobicContact CG2-CG 3.82Å; T86-I105 WeakPolarHBondContact CA-O 3.32Å
87M98.4Very high97.6Very high11 Ų1140.2 Ų40.25%0.05423%0.226CC..EExtended strand (participates in β ladder)trans-145.5166.6-174.4-59.9-17974.100113.1E43 D50 A53 R85 F104 I105 V107E43-M87 WeakPolarHBondContact OE1-CA 3.24Å; E43-M87 WeakPolarHBondContact OE1-CB 3.24Å; D50-M87 HydrophobicContact CB-CE 3.77Å; D50-M87 WeakPolarHBondContact O-CE 3.43Å; A53-M87 HydrophobicContact CB-CE 4.4Å; A53-M87 HydrophobicContact CB-CG 3.7Å; A53-M87 HydrophobicContact CB-SD 4.26Å; R85-M87 HydrophobicContact CG-CG 4.4Å; R85-M87 HydrophobicContact CG-SD 4.33Å; R85-M87 PolarHBondContact NE-SD 3.32Å; M87-F104 VanDerWaalsContact O-CB 3.29Å; M87-F104 WeakPolarHBondContact O-CB 3.45Å; M87-I105 HydrophobicContact CB-CD1 4.35Å; M87-I105 HydrophobicContact CB-CG1 3.9Å; M87-I105 PolarHBondContact N-O 3.36Å; M87-I105 PolarHBondContact O-N 3.43Å; M87-V107 HydrophobicContact SD-CG2 4.45Å
88S98.2Very high97.5Very high12 Ų1237 Ų378%0.08422%0.217CC..EExtended strand (participates in β ladder)trans55.663.9171-56.10000114.2E43 C90 V161E43-S88 PolarHBondContact OE1-N 3.22Å; S88-C90 PolarHBondContact O-N 3.28Å; S88-V161 WeakPolarHBondContact CB-O 3.44Å; S88-V161 WeakPolarHBondContact O-CG2 3.38Å
89P98.7Very high97.5Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-58.5136.9175.626.8-34.1000111.1I26 A28 F41 L56 L102 F103 G164I26-P89 WeakPolarHBondContact O-CG 3.39Å; A28-P89 HydrophobicContact CB-CB 3.91Å; A28-P89 HydrophobicContact CB-CG 3.83Å; A28-P89 WeakPolarHBondContact CB-O 3.35Å; F41-P89 HydrophobicContact CB-CB 3.88Å; F41-P89 HydrophobicContact CB-CG 4.11Å; F41-P89 HydrophobicContact CG-CB 4.49Å; L56-P89 HydrophobicContact CD1-CB 4.11Å; L56-P89 HydrophobicContact CD2-CB 4.2Å; L56-P89 HydrophobicContact CD2-CG 4.15Å; P89-L102 HydrophobicContact CB-CD1 4.04Å; P89-F103 CarbonylContact C-O 3.53Å; P89-G164 PolarHBondContact O-N 2.66Å
90C98.8Very high97.5Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-14681179.1-166.20000110.2S88 F103 V161 G164 I176S88-C90 PolarHBondContact O-N 3.28Å; C90-F103 HydrophobicContact CB-CB 4.19Å; C90-F103 PolarHBondContact N-O 2.91Å; C90-F103 WeakPolarHBondContact O-CB 3.45Å; C90-F103 PolarHBondContact O-N 2.87Å; C90-V161 HydrophobicContact CB-CB 4.34Å; C90-V161 HydrophobicContact CB-CG2 4.02Å; C90-G164 WeakPolarHBondContact CA-O 3.25Å; C90-I176 HydrophobicContact CB-CG2 4.46Å
91P98.7Very high97.6Very high0 Ų034.2 Ų34.20%020%0.197CC..EExtended strand (participates in β ladder)trans-76.5149.7179.232.7-36000112.5A28 L30 F41 Y101 L102 G164 H165 G166A28-P91 HydrophobicContact CB-CG 4.27Å; L30-P91 HydrophobicContact CB-CB 4.07Å; L30-P91 HydrophobicContact CB-CG 3.87Å; L30-P91 HydrophobicContact CD2-CB 3.99Å; F41-P91 HydrophobicContact CD2-CB 4.42Å; F41-P91 HydrophobicContact CD2-CG 3.95Å; F41-P91 HydrophobicContact CE2-CB 3.89Å; F41-P91 HydrophobicContact CE2-CG 3.86Å; P91-Y101 CarbonylContact C-O 3.57Å; P91-Y101 VanDerWaalsContact CA-O 3.23Å; P91-Y101 WeakPolarHBondContact CA-O 3.43Å; P91-L102 HydrophobicContact CB-CD1 3.88Å; P91-L102 HydrophobicContact CG-CD1 4.35Å; P91-G164 VanDerWaalsContact CD-O 3.25Å; P91-G164 WeakPolarHBondContact CD-O 3.36Å; P91-H165 WeakPolarHBondContact O-CA 3.47Å; P91-G166 PolarHBondContact O-N 3.1Å
92V98.3Very high97.6Very high1 Ų132.8 Ų32.81%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-139.3140169.763.20000109.6Y101 L174 I176V92-Y101 HydrophobicContact CG1-CD2 4.47Å; V92-Y101 PolarHBondContact N-O 2.91Å; V92-Y101 PolarHBondContact O-N 2.75Å; V92-L174 HydrophobicContact CG2-CD2 4Å; V92-I176 HydrophobicContact CB-CD1 4.03Å; V92-I176 HydrophobicContact CG1-CD1 3.59Å
93W98Very high97.8Very high50 Ų5027 Ų2719%0.18915%0.152CC..EExtended strand (participates in β ladder)trans-97.3123.2174.118052.2000110.2L30 P33 P34 K95L30-W93 HydrophobicContact CD1-CB 3.99Å; L30-W93 HydrophobicContact CD2-CB 4.02Å; L30-W93 HydrophobicContact CG-CB 4.37Å; P33-W93 VanDerWaalsContact CD-CZ3 3.47Å; P33-W93 HydrophobicContact CG-CE3 4.36Å; P33-W93 HydrophobicContact CG-CH2 4.18Å; P33-W93 HydrophobicContact CG-CZ3 3.78Å; P34-W93 VanDerWaalsContact CD-CZ2 3.48Å; P34-W93 HydrophobicContact CG-CH2 3.94Å; P34-W93 HydrophobicContact CG-CZ2 3.63Å; W93-K95 HydrophobicContact CE3-CB 4.33Å; W93-K95 HydrophobicContact CH2-CB 3.85Å; W93-K95 HydrophobicContact CZ2-CB 4.18Å; W93-K95 HydrophobicContact CZ3-CB 3.93Å
94E97.8Very high97.9Very high0 Ų024 Ų240%012%0.122CC..  trans-93.4107.5173.6-165-63112.500108.3N96 T97 G98 R99 Y101 Q168 L174E94-N96 PolarHBondContact O-N 3.35Å; E94-N96 WeakPolarHBondContact OE1-CB 3.34Å; E94-N96 PolarHBondContact OE1-N 2.84Å; E94-N96 PolarHBondContact OE1-OD1 3.1Å; E94-N96 PolarHBondContact OE2-N 2.92Å; E94-T97 WeakPolarHBondContact OE2-CA 3.44Å; E94-T97 WeakPolarHBondContact OE2-CB 3.29Å; E94-T97 VanDerWaalsContact OE2-CG2 3.32Å; E94-T97 WeakPolarHBondContact OE2-CG2 3.31Å; E94-T97 PolarHBondContact OE2-N 3.42Å; E94-T97 PolarHBondContact OE2-OG1 2.89Å; E94-G98 CarbonylContact O-C 3.56Å; E94-G98 VanDerWaalsContact O-CA 3.27Å; E94-G98 WeakPolarHBondContact O-CA 3.45Å; E94-G98 PolarHBondContact O-N 2.84Å; E94-R99 HydrophobicContact CB-CB 4.42Å; E94-R99 PolarHBondContact N-O 2.68Å; E94-R99 PolarHBondContact O-N 2.8Å; E94-Y101 HydrophobicContact CB-CD2 4.19Å; E94-Y101 HydrophobicContact CB-CE2 3.91Å; E94-Y101 HydrophobicContact CG-CE2 4.27Å; E94-Q168 PolarHBondContact OE1-NE2 2.81Å; E94-L174 HydrophobicContact CB-CD1 4.35Å; E94-L174 HydrophobicContact CB-CD2 4.08Å; E94-L174 HydrophobicContact CG-CD1 3.93Å; E94-L174 HydrophobicContact CG-CD2 4Å; E94-L174 HydrophobicContact CG-CG 4.34Å
95K95.4Very high97.9Very high89 Ų8922.2 Ų22.239%0.38711%0.113SC..THydrogen-bonded Turntrans-70.4-26.9-168.677.3-157.9172.4-172.40114.2W93 Q168 L169W93-K95 HydrophobicContact CE3-CB 4.33Å; W93-K95 HydrophobicContact CH2-CB 3.85Å; W93-K95 HydrophobicContact CZ2-CB 4.18Å; W93-K95 HydrophobicContact CZ3-CB 3.93Å; K95-Q168 VanDerWaalsContact CD-OE1 3.31Å; K95-L169 PolarHBondContact NZ-O 3.41Å
96N94.8Very high97.9Very high109 Ų10921.5 Ų21.558%0.58311%0.111SC*.THydrogen-bonded Turntrans-76.4-36-173.5-66.758.2000112.1E94 L206E94-N96 PolarHBondContact O-N 3.35Å; E94-N96 WeakPolarHBondContact OE1-CB 3.34Å; E94-N96 PolarHBondContact OE1-N 2.84Å; E94-N96 PolarHBondContact OE1-OD1 3.1Å; E94-N96 PolarHBondContact OE2-N 2.92Å; N96-L206 HydrophobicContact CB-CD2 4.25Å
97T95.7Very high97.9Very high68 Ų6821.7 Ų21.742%0.41711%0.112SC..THydrogen-bonded Turntrans-106.3-15.3178.5680000112.8E94 R99 L206E94-T97 WeakPolarHBondContact OE2-CA 3.44Å; E94-T97 WeakPolarHBondContact OE2-CB 3.29Å; E94-T97 VanDerWaalsContact OE2-CG2 3.32Å; E94-T97 WeakPolarHBondContact OE2-CG2 3.31Å; E94-T97 PolarHBondContact OE2-N 3.42Å; E94-T97 PolarHBondContact OE2-OG1 2.89Å; T97-R99 VanDerWaalsContact C-N 3.29Å; T97-R99 WeakPolarHBondContact OG1-CB 3.34Å; T97-R99 VanDerWaalsContact OG1-CG 3.3Å; T97-R99 WeakPolarHBondContact OG1-CG 3.38Å; T97-R99 PolarHBondContact OG1-N 3.41Å; T97-L206 HydrophobicContact CG2-CD1 4.25Å
98G96.4Very high97.9Very high26 Ų2626.5 Ų26.527%0.26813%0.134SC..  trans80.86.7-175.800000113.9E94E94-G98 CarbonylContact O-C 3.56Å; E94-G98 VanDerWaalsContact O-CA 3.27Å; E94-G98 WeakPolarHBondContact O-CA 3.45Å; E94-G98 PolarHBondContact O-N 2.84Å
99R97.7Very high97.8Very high70 Ų7027.2 Ų27.226%0.26414%0.143SC..  trans-68.9139.8179.4-75.7177.6177.6153.22.9111.7E94 T97 Y101 Y130 S131 E132E94-R99 HydrophobicContact CB-CB 4.42Å; E94-R99 PolarHBondContact N-O 2.68Å; E94-R99 PolarHBondContact O-N 2.8Å; T97-R99 VanDerWaalsContact C-N 3.29Å; T97-R99 WeakPolarHBondContact OG1-CB 3.34Å; T97-R99 VanDerWaalsContact OG1-CG 3.3Å; T97-R99 WeakPolarHBondContact OG1-CG 3.38Å; T97-R99 PolarHBondContact OG1-N 3.41Å; R99-Y101 HydrophobicContact CB-CE2 4.03Å; R99-Y130 HydrophobicContact CG-CD2 4.41Å; R99-S131 WeakPolarHBondContact CA-O 3.29Å; R99-E132 HydrophobicContact CG-CG 4.19Å; R99-E132 IonicContact CZ-OE1 3.52Å; R99-E132 IonicContact NE-OE1 3.51Å; R99-E132 PolarHBondContact NE-OE1 3.24Å; R99-E132 IonicContact NH2-OE1 2.72Å; R99-E132 PolarHBondContact NH2-OE1 2.86Å
100V98.5Very high97.6Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-105.3113.5168.3177.10000108L30 I32 L39 Y130 S131 W138L30-V100 HydrophobicContact CD2-CB 4.44Å; L30-V100 HydrophobicContact CD2-CG1 3.53Å; L30-V100 HydrophobicContact CD2-CG2 4.17Å; I32-V100 HydrophobicContact CD1-CG2 3.53Å; I32-V100 HydrophobicContact CG1-CG2 4.2Å; L39-V100 HydrophobicContact CD1-CG1 3.94Å; L39-V100 HydrophobicContact CD1-CG2 4.33Å; V100-Y130 CarbonylContact O-C 3.55Å; V100-Y130 WeakPolarHBondContact O-CA 3.37Å; V100-Y130 VanDerWaalsContact O-CB 3.27Å; V100-Y130 WeakPolarHBondContact O-CB 3.35Å; V100-S131 PolarHBondContact N-O 2.85Å; V100-S131 PolarHBondContact O-N 3.41Å; V100-W138 HydrophobicContact CG1-CH2 3.94Å; V100-W138 HydrophobicContact CG1-CZ3 4.22Å
101Y98.6Very high97.5Very high7 Ų735.4 Ų35.43%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-90.3133.8169.8-65-85.2000109P91 V92 E94 R99 F128 Y130 L174 L206P91-Y101 CarbonylContact C-O 3.57Å; P91-Y101 VanDerWaalsContact CA-O 3.23Å; P91-Y101 WeakPolarHBondContact CA-O 3.43Å; V92-Y101 HydrophobicContact CG1-CD2 4.47Å; V92-Y101 PolarHBondContact N-O 2.91Å; V92-Y101 PolarHBondContact O-N 2.75Å; E94-Y101 HydrophobicContact CB-CD2 4.19Å; E94-Y101 HydrophobicContact CB-CE2 3.91Å; E94-Y101 HydrophobicContact CG-CE2 4.27Å; R99-Y101 HydrophobicContact CB-CE2 4.03Å; Y101-F128 AromaticContact CD1-CD2 3.68Å; Y101-F128 HydrophobicContact CD1-CD2 3.68Å; Y101-F128 AromaticContact CD1-CE2 3.58Å; Y101-F128 HydrophobicContact CD1-CE2 3.58Å; Y101-F128 HydrophobicContact CE1-CD2 4.32Å; Y101-F128 AromaticContact CE1-CE2 3.74Å; Y101-F128 HydrophobicContact CE1-CE2 3.74Å; Y101-F128 HydrophobicContact CE1-CZ 4.48Å; Y101-Y130 HydrophobicContact CD1-CG 4.42Å; Y101-Y130 HydrophobicContact CE1-CD1 4.27Å; Y101-Y130 HydrophobicContact CE1-CG 4.22Å; Y101-L174 HydrophobicContact CD2-CD1 4.21Å; Y101-L174 HydrophobicContact CE2-CD1 4.03Å; Y101-L206 PolarHBondContact OH-O 2.58Å
102L98.7Very high97.4Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-114.5108171.3176.967.8000109.2F41 L56 L76 P89 P91 F104 F128 L129 W138F41-L102 HydrophobicContact CD1-CD1 4.14Å; F41-L102 HydrophobicContact CD1-CD2 3.89Å; F41-L102 HydrophobicContact CD2-CD1 4.35Å; F41-L102 HydrophobicContact CE1-CD1 4.13Å; F41-L102 HydrophobicContact CE1-CD2 3.65Å; F41-L102 HydrophobicContact CE1-CG 4.44Å; F41-L102 HydrophobicContact CE2-CD1 4.31Å; F41-L102 HydrophobicContact CG-CD1 4.28Å; F41-L102 HydrophobicContact CZ-CD1 4.22Å; F41-L102 HydrophobicContact CZ-CD2 4.33Å; L56-L102 HydrophobicContact CD1-CD2 4.01Å; L76-L102 HydrophobicContact CD2-CD2 3.32Å; P89-L102 HydrophobicContact CB-CD1 4.04Å; P91-L102 HydrophobicContact CB-CD1 3.88Å; P91-L102 HydrophobicContact CG-CD1 4.35Å; L102-F104 HydrophobicContact CG-CD1 4.2Å; L102-F104 WeakPolarHBondContact O-CD1 3.44Å; L102-F104 WeakPolarHBondContact O-CE1 3.44Å; L102-F128 WeakPolarHBondContact O-CA 3.37Å; L102-F128 WeakPolarHBondContact O-CB 3.17Å; L102-L129 HydrophobicContact CB-CD1 4.26Å; L102-L129 HydrophobicContact CD2-CD1 4.48Å; L102-L129 PolarHBondContact N-O 2.9Å; L102-L129 PolarHBondContact O-N 3.27Å; L102-W138 HydrophobicContact CB-CH2 3.98Å; L102-W138 HydrophobicContact CB-CZ3 3.78Å; L102-W138 HydrophobicContact CD2-CH2 4.38Å
103F98.8Very high97.4Very high0 Ų040.1 Ų40.10%021%0.208CC..EExtended strand (participates in β ladder)trans-86.1148.4172.4-76-100.2000111P89 C90 L126 C127 F128 L144 V161 I176 W210P89-F103 CarbonylContact C-O 3.53Å; C90-F103 HydrophobicContact CB-CB 4.19Å; C90-F103 PolarHBondContact N-O 2.91Å; C90-F103 WeakPolarHBondContact O-CB 3.45Å; C90-F103 PolarHBondContact O-N 2.87Å; F103-L126 HydrophobicContact CD1-CD1 4.17Å; F103-C127 WeakPolarHBondContact CA-O 3.23Å; F103-F128 HydrophobicContact CD1-CB 3.93Å; F103-F128 HydrophobicContact CD2-CB 4.15Å; F103-F128 HydrophobicContact CE1-CB 3.95Å; F103-F128 HydrophobicContact CE1-CD1 4.14Å; F103-F128 HydrophobicContact CE1-CG 4.27Å; F103-F128 HydrophobicContact CE2-CB 4.14Å; F103-F128 HydrophobicContact CE2-CG 4.45Å; F103-F128 HydrophobicContact CG-CB 4.03Å; F103-F128 HydrophobicContact CZ-CB 4.01Å; F103-F128 HydrophobicContact CZ-CD1 4.15Å; F103-F128 HydrophobicContact CZ-CG 4.09Å; F103-L144 HydrophobicContact CE1-CD1 3.85Å; F103-L144 HydrophobicContact CZ-CD1 4.4Å; F103-V161 HydrophobicContact CB-CG2 4.25Å; F103-I176 HydrophobicContact CB-CG2 4.01Å; F103-I176 HydrophobicContact CD1-CG1 4.15Å; F103-I176 HydrophobicContact CD1-CG2 4.32Å; F103-I176 HydrophobicContact CD2-CD1 3.34Å; F103-I176 HydrophobicContact CD2-CG1 3.59Å; F103-I176 HydrophobicContact CD2-CG2 4.46Å; F103-I176 HydrophobicContact CE1-CG1 4.19Å; F103-I176 HydrophobicContact CE2-CD1 3.61Å; F103-I176 HydrophobicContact CE2-CG1 3.66Å; F103-I176 HydrophobicContact CG-CD1 3.99Å; F103-I176 HydrophobicContact CG-CG1 3.87Å; F103-I176 HydrophobicContact CG-CG2 4Å; F103-I176 HydrophobicContact CZ-CD1 4.43Å; F103-I176 HydrophobicContact CZ-CG1 3.98Å; F103-W210 HydrophobicContact CE1-CD2 4.35Å; F103-W210 HydrophobicContact CE1-CE3 4.37Å; F103-W210 HydrophobicContact CE1-CH2 4.49Å; F103-W210 HydrophobicContact CE1-CZ3 4.44Å; F103-W210 AromaticContact CE2-CH2 3.56Å; F103-W210 HydrophobicContact CE2-CH2 3.56Å; F103-W210 AromaticContact CE2-CZ2 3.67Å; F103-W210 HydrophobicContact CE2-CZ2 3.67Å; F103-W210 HydrophobicContact CE2-CZ3 4.18Å; F103-W210 AromaticContact CZ-CD2 3.84Å; F103-W210 HydrophobicContact CZ-CD2 3.84Å; F103-W210 AromaticContact CZ-CE2 3.52Å; F103-W210 AromaticContact CZ-CE3 3.93Å; F103-W210 HydrophobicContact CZ-CE3 3.93Å; F103-W210 AromaticContact CZ-CH2 3.41Å; F103-W210 HydrophobicContact CZ-CH2 3.41Å; F103-W210 VanDerWaalsContact CZ-CH2 3.41Å; F103-W210 AromaticContact CZ-CZ2 3.32Å; F103-W210 HydrophobicContact CZ-CZ2 3.32Å; F103-W210 AromaticContact CZ-CZ3 3.73Å; F103-W210 HydrophobicContact CZ-CZ3 3.73Å
104F98.8Very high97.3Very high0 Ų047.4 Ų47.40%024%0.236CC..EExtended strand (participates in β ladder)trans-161.1172.7175.949.8-88.9000109.8L56 A79 T86 M87 L102 C127 L129 V141L56-F104 HydrophobicContact CD1-CB 4.11Å; L56-F104 HydrophobicContact CD1-CD1 4.22Å; L56-F104 HydrophobicContact CD1-CG 4.23Å; A79-F104 HydrophobicContact CB-CD1 4.34Å; A79-F104 HydrophobicContact CB-CE1 3.7Å; A79-F104 HydrophobicContact CB-CE2 4.15Å; A79-F104 HydrophobicContact CB-CZ 3.57Å; T86-F104 HydrophobicContact CG2-CB 4.09Å; T86-F104 HydrophobicContact CG2-CD2 3.37Å; T86-F104 HydrophobicContact CG2-CE2 3.89Å; T86-F104 HydrophobicContact CG2-CG 3.82Å; M87-F104 VanDerWaalsContact O-CB 3.29Å; M87-F104 WeakPolarHBondContact O-CB 3.45Å; L102-F104 HydrophobicContact CG-CD1 4.2Å; L102-F104 WeakPolarHBondContact O-CD1 3.44Å; L102-F104 WeakPolarHBondContact O-CE1 3.44Å; F104-C127 HydrophobicContact CD2-CB 3.71Å; F104-C127 HydrophobicContact CE2-CB 3.29Å; F104-C127 HydrophobicContact CZ-CB 3.75Å; F104-C127 PolarHBondContact N-O 2.84Å; F104-C127 PolarHBondContact O-N 2.85Å; F104-C127 VanDerWaalsContact O-O 3.07Å; F104-L129 HydrophobicContact CE1-CG 4.08Å; F104-V141 HydrophobicContact CE2-CG2 4.15Å; F104-V141 HydrophobicContact CZ-CG2 3.75Å
105I98.6Very high97.2Very high9 Ų952 Ų525%0.04625%0.254CS..EExtended strand (participates in β ladder)trans-108.2145.816761.7173000111.8T86 M87 V107 R125 F159 A160 V161T86-I105 WeakPolarHBondContact CA-O 3.32Å; M87-I105 HydrophobicContact CB-CD1 4.35Å; M87-I105 HydrophobicContact CB-CG1 3.9Å; M87-I105 PolarHBondContact N-O 3.36Å; M87-I105 PolarHBondContact O-N 3.43Å; I105-V107 HydrophobicContact CD1-CG2 3.86Å; I105-V107 HydrophobicContact CG1-CG2 4.27Å; I105-R125 VanDerWaalsContact CA-O 3.25Å; I105-R125 WeakPolarHBondContact CA-O 3.11Å; I105-F159 HydrophobicContact CG2-CD2 4.44Å; I105-F159 HydrophobicContact CG2-CE2 4.1Å; I105-A160 HydrophobicContact CD1-CB 3.8Å; I105-A160 HydrophobicContact CG2-CB 4.42Å; I105-V161 HydrophobicContact CG2-CG2 4.46Å
106C98.5Very high97.3Very high0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-110.2117.2167.8-75.60000108.9L81 H84 R85 A124 R125L81-C106 HydrophobicContact CB-CB 4.32Å; L81-C106 HydrophobicContact CD1-CB 3.8Å; L81-C106 HydrophobicContact CG-CB 4.16Å; H84-C106 HydrophobicContact CB-CB 3.9Å; R85-C106 CarbonylContact O-C 3.5Å; R85-C106 VanDerWaalsContact O-CA 3.31Å; R85-C106 WeakPolarHBondContact O-CA 3.41Å; C106-A124 CarbonylContact O-C 3.4Å; C106-A124 WeakPolarHBondContact O-CA 3.39Å; C106-R125 HydrophobicContact CB-CB 4.25Å; C106-R125 PolarHBondContact N-O 2.93Å; C106-R125 PolarHBondContact O-N 2.85Å
107V98.3Very high97.3Very high3 Ų344.7 Ų44.72%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-106.6131.7-179.6-175.60000109.9H84 R85 M87 I105 G109 A123 A124H84-V107 CarbonylContact C-O 3.5Å; H84-V107 WeakPolarHBondContact CA-O 3.4Å; H84-V107 WeakPolarHBondContact CB-O 3.25Å; R85-V107 HydrophobicContact CG-CB 4.08Å; R85-V107 PolarHBondContact N-O 3.33Å; R85-V107 PolarHBondContact O-N 3.16Å; M87-V107 HydrophobicContact SD-CG2 4.45Å; I105-V107 HydrophobicContact CD1-CG2 3.86Å; I105-V107 HydrophobicContact CG1-CG2 4.27Å; V107-G109 PolarHBondContact O-N 3.25Å; V107-G109 VanDerWaalsContact O-N 3.13Å; V107-A123 WeakPolarHBondContact CA-O 3.44Å; V107-A123 HydrophobicContact CG1-CB 4.47Å; V107-A124 HydrophobicContact CG2-CB 4.24Å
108Q97.9Very high97.3Very high112 Ų11246.3 Ų46.352%0.52322%0.224SC..EExtended strand (participates in β ladder)trans-60.3116.1-177-166.3-1799.400111.7H84 H110 V111 A123H84-Q108 PolarHBondContact CD2-N 3.19Å; Q108-H110 PolarHBondContact O-N 3.45Å; Q108-V111 WeakPolarHBondContact O-CB 3.27Å; Q108-V111 VanDerWaalsContact O-CG2 3.28Å; Q108-V111 WeakPolarHBondContact O-CG2 3.38Å; Q108-V111 PolarHBondContact O-N 3.4Å; Q108-V111 VanDerWaalsContact O-N 3.15Å; Q108-A123 HydrophobicContact CB-CB 4.04Å; Q108-A123 PolarHBondContact N-O 2.83Å
109G95.7Very high97.1Very high27 Ų2749.3 Ų49.328%0.27823%0.227SC..THydrogen-bonded Turntrans44.7-130.1179.700000114.4G83 R85 V107G83-G109 PolarHBondContact O-N 3.31Å; R85-G109 PolarHBondContact NH1-O 2.92Å; V107-G109 PolarHBondContact O-N 3.25Å; V107-G109 VanDerWaalsContact O-N 3.13Å
110H94.9Very high96.9Very high137 Ų13746.4 Ų46.463%0.63422%0.219SC*.THydrogen-bonded Turntrans-98.622.1179-60.9-76.7000113E51 Q108 S112E51-H110 PolarHBondContact O-ND1 3.47Å; Q108-H110 PolarHBondContact O-N 3.45Å; H110-S112 PolarHBondContact O-N 3.4Å
111V97.2Very high96.7Very high35 Ų3553.6 Ų53.621%0.21225%0.246CC..  trans-60.6125.5175.5176.50000108.6R85 Q108 W115 Q116 A123R85-V111 PolarHBondContact NH1-O 3.37Å; R85-V111 PolarHBondContact NH2-O 2.83Å; Q108-V111 WeakPolarHBondContact O-CB 3.27Å; Q108-V111 VanDerWaalsContact O-CG2 3.28Å; Q108-V111 WeakPolarHBondContact O-CG2 3.38Å; Q108-V111 PolarHBondContact O-N 3.4Å; Q108-V111 VanDerWaalsContact O-N 3.15Å; V111-W115 HydrophobicContact CG1-CB 4.47Å; V111-W115 HydrophobicContact CG1-CD2 4.11Å; V111-W115 HydrophobicContact CG1-CE3 3.46Å; V111-W115 VanDerWaalsContact CG1-CE3 3.46Å; V111-W115 HydrophobicContact CG1-CZ3 4.03Å; V111-Q116 HydrophobicContact CG1-CG 3.63Å; V111-A123 HydrophobicContact CB-CB 4.18Å; V111-A123 HydrophobicContact CG1-CB 3.92Å; V111-A123 HydrophobicContact CG2-CB 4.48Å
112S97.3Very high96.6Very high27 Ų2755.2 Ų55.219%0.18926%0.256CS..  trans-85.5152.1-178.562.90000111.5E51 H110 R114 W115 Q116E51-S112 WeakPolarHBondContact OE1-CB 3.42Å; H110-S112 PolarHBondContact O-N 3.4Å; S112-R114 PolarHBondContact O-N 2.92Å; S112-W115 WeakPolarHBondContact O-CB 3.41Å; S112-W115 PolarHBondContact O-N 2.81Å; S112-W115 VanDerWaalsContact O-N 3.09Å; S112-W115 WeakPolarHBondContact OG-CB 3.47Å; S112-W115 PolarHBondContact OG-N 2.93Å; S112-W115 VanDerWaalsContact OG-N 3.14Å; S112-Q116 WeakPolarHBondContact O-CG 3.19Å; S112-Q116 PolarHBondContact O-N 2.89Å; S112-Q116 VanDerWaalsContact O-N 3.12Å
113E97.1Very high96.5Very high73 Ų7355.7 Ų55.734%0.34126%0.26SS..Hα-helixtrans-52.4-46.4170.8-167.8-163.266.400110W115 Q116 L117 T158 Y181E113-W115 VanDerWaalsContact C-N 3.28Å; E113-W115 PolarHBondContact O-N 2.87Å; E113-Q116 WeakPolarHBondContact O-CB 3.47Å; E113-Q116 PolarHBondContact O-N 2.89Å; E113-L117 HydrophobicContact CG-CD1 4.18Å; E113-L117 HydrophobicContact CG-CG 4.29Å; E113-L117 VanDerWaalsContact O-CG 3.29Å; E113-L117 WeakPolarHBondContact O-CG 3.39Å; E113-L117 PolarHBondContact O-N 2.85Å; E113-T158 HydrophobicContact CG-CG2 3.85Å; E113-Y181 VanDerWaalsContact CD-OH 3.3Å; E113-Y181 HydrophobicContact CG-CE2 4.31Å; E113-Y181 PolarHBondContact OE1-OH 3.36Å; E113-Y181 WeakPolarHBondContact OE2-CE2 3.1Å; E113-Y181 VanDerWaalsContact OE2-CZ 3.31Å; E113-Y181 PolarHBondContact OE2-OH 3.44Å
114R96.3Very high96.4Very high204 Ų20455.9 Ų55.977%0.7726%0.261SS*.Hα-helixtrans-55.6-40.7178-175.3177.8179.7-175.40113S112 L118S112-R114 PolarHBondContact O-N 2.92Å; R114-L118 VanDerWaalsContact O-CB 3.3Å; R114-L118 WeakPolarHBondContact O-CB 3.41Å; R114-L118 PolarHBondContact O-N 3.06Å
115W96.8Very high96.4Very high97 Ų9759 Ų5937%0.36727%0.273SS..Hα-helixtrans-65.6-46.1176.7-176.198.2000110.7V111 S112 E113 L117 L118 W119 R121V111-W115 HydrophobicContact CG1-CB 4.47Å; V111-W115 HydrophobicContact CG1-CD2 4.11Å; V111-W115 HydrophobicContact CG1-CE3 3.46Å; V111-W115 VanDerWaalsContact CG1-CE3 3.46Å; V111-W115 HydrophobicContact CG1-CZ3 4.03Å; S112-W115 WeakPolarHBondContact O-CB 3.41Å; S112-W115 PolarHBondContact O-N 2.81Å; S112-W115 VanDerWaalsContact O-N 3.09Å; S112-W115 WeakPolarHBondContact OG-CB 3.47Å; S112-W115 PolarHBondContact OG-N 2.93Å; S112-W115 VanDerWaalsContact OG-N 3.14Å; E113-W115 VanDerWaalsContact C-N 3.28Å; E113-W115 PolarHBondContact O-N 2.87Å; W115-L117 VanDerWaalsContact C-N 3.33Å; W115-L117 PolarHBondContact O-N 2.73Å; W115-L118 PolarHBondContact O-N 3.46Å; W115-W119 AromaticContact CD1-CD1 3.53Å; W115-W119 AromaticContact CD1-NE1 3.59Å; W115-W119 AromaticContact CD2-CD1 3.64Å; W115-W119 HydrophobicContact CD2-CG 4.48Å; W115-W119 AromaticContact CE2-CD1 3.43Å; W115-W119 VanDerWaalsContact CE2-CD1 3.43Å; W115-W119 AromaticContact CE2-NE1 3.97Å; W115-W119 AromaticContact CG-CD1 3.7Å; W115-W119 HydrophobicContact CZ2-CG 4.37Å; W115-W119 AromaticContact NE1-CD1 3.35Å; W115-W119 AromaticContact NE1-NE1 3.42Å; W115-W119 PolarHBondContact O-N 3Å; W115-R121 HydrophobicContact CH2-CB 3.83Å; W115-R121 HydrophobicContact CH2-CG 4.39Å; W115-R121 HydrophobicContact CZ3-CB 3.59Å
116Q97.1Very high96.4Very high3 Ų358.7 Ų58.71%0.01427%0.271CS..Hα-helixtrans-60.1-43.2178.7-63.3-177.782.600111.8V111 S112 E113 G120 R121 A123 A157 T158V111-Q116 HydrophobicContact CG1-CG 3.63Å; S112-Q116 WeakPolarHBondContact O-CG 3.19Å; S112-Q116 PolarHBondContact O-N 2.89Å; S112-Q116 VanDerWaalsContact O-N 3.12Å; E113-Q116 WeakPolarHBondContact O-CB 3.47Å; E113-Q116 PolarHBondContact O-N 2.89Å; Q116-G120 VanDerWaalsContact O-CA 3.29Å; Q116-G120 WeakPolarHBondContact O-CA 3.31Å; Q116-G120 PolarHBondContact O-N 2.83Å; Q116-R121 WeakPolarHBondContact CA-O 3.22Å; Q116-R121 WeakPolarHBondContact CB-O 3.42Å; Q116-R121 WeakPolarHBondContact CG-O 3.38Å; Q116-R121 PolarHBondContact O-N 3.4Å; Q116-A123 HydrophobicContact CG-CB 4.28Å; Q116-A157 WeakPolarHBondContact CB-O 3.47Å; Q116-T158 PolarHBondContact NE2-OG1 3.01Å; Q116-T158 PolarHBondContact OE1-OG1 2.9Å
117L95.4Very high96.4Very high41 Ų4158.7 Ų58.722%0.21527%0.271CS..Hα-helixtrans-63.9-42.6175.9-62.3179.2000112.7E113 W115 A157 T158 Y181 P191 V194E113-L117 HydrophobicContact CG-CD1 4.18Å; E113-L117 HydrophobicContact CG-CG 4.29Å; E113-L117 VanDerWaalsContact O-CG 3.29Å; E113-L117 WeakPolarHBondContact O-CG 3.39Å; E113-L117 PolarHBondContact O-N 2.85Å; W115-L117 VanDerWaalsContact C-N 3.33Å; W115-L117 PolarHBondContact O-N 2.73Å; L117-A157 HydrophobicContact CD2-CB 3.96Å; L117-T158 HydrophobicContact CD2-CG2 4.1Å; L117-Y181 HydrophobicContact CD1-CD1 4.39Å; L117-Y181 HydrophobicContact CD1-CE1 4.13Å; L117-Y181 HydrophobicContact CD2-CD1 3.4Å; L117-Y181 HydrophobicContact CD2-CD2 4.02Å; L117-Y181 HydrophobicContact CD2-CE1 3.95Å; L117-Y181 HydrophobicContact CD2-CE2 4.44Å; L117-Y181 HydrophobicContact CD2-CG 3.43Å; L117-Y181 VanDerWaalsContact CD2-CG 3.43Å; L117-P191 VanDerWaalsContact O-CG 3.31Å; L117-P191 WeakPolarHBondContact O-CG 3.2Å; L117-V194 HydrophobicContact CD2-CG1 3.63Å
118L94.1Very high96.4Very high101 Ų10158.7 Ų58.753%0.52927%0.271SS..Hα-helixtrans-67.9-38.1-177.9-179.462.9000112.3R114 W115 P191R114-L118 VanDerWaalsContact O-CB 3.3Å; R114-L118 WeakPolarHBondContact O-CB 3.41Å; R114-L118 PolarHBondContact O-N 3.06Å; W115-L118 PolarHBondContact O-N 3.46Å; L118-P191 WeakPolarHBondContact O-CD 3.23Å
119W93.9Very high96.4Very high89 Ų8953.4 Ų53.434%0.33725%0.246SC..Hα-helixtrans-100.9-8.5-174.6-63.4105.3000113.7W115 R121 F190W115-W119 AromaticContact CD1-CD1 3.53Å; W115-W119 AromaticContact CD1-NE1 3.59Å; W115-W119 AromaticContact CD2-CD1 3.64Å; W115-W119 HydrophobicContact CD2-CG 4.48Å; W115-W119 AromaticContact CE2-CD1 3.43Å; W115-W119 VanDerWaalsContact CE2-CD1 3.43Å; W115-W119 AromaticContact CE2-NE1 3.97Å; W115-W119 AromaticContact CG-CD1 3.7Å; W115-W119 HydrophobicContact CZ2-CG 4.37Å; W115-W119 AromaticContact NE1-CD1 3.35Å; W115-W119 AromaticContact NE1-NE1 3.42Å; W115-W119 PolarHBondContact O-N 3Å; W119-R121 HydrophobicContact CB-CB 4.36Å; W119-R121 HydrophobicContact CB-CG 4.19Å; W119-R121 PolarHBondContact O-N 3.22Å; W119-F190 HydrophobicContact CD2-CE1 4.33Å; W119-F190 AromaticContact CE3-CD1 3.96Å; W119-F190 HydrophobicContact CE3-CD1 3.96Å; W119-F190 AromaticContact CE3-CE1 3.44Å; W119-F190 HydrophobicContact CE3-CE1 3.44Å; W119-F190 VanDerWaalsContact CE3-CE1 3.44Å; W119-F190 HydrophobicContact CE3-CZ 4.17Å; W119-F190 AromaticContact CH2-CE1 3.56Å; W119-F190 HydrophobicContact CH2-CE1 3.56Å; W119-F190 AromaticContact CH2-CZ 3.9Å; W119-F190 HydrophobicContact CH2-CZ 3.9Å; W119-F190 HydrophobicContact CZ2-CE1 4.41Å; W119-F190 AromaticContact CZ3-CD1 3.98Å; W119-F190 HydrophobicContact CZ3-CD1 3.98Å; W119-F190 AromaticContact CZ3-CE1 3.01Å; W119-F190 HydrophobicContact CZ3-CE1 3.01Å; W119-F190 AromaticContact CZ3-CZ 3.38Å; W119-F190 HydrophobicContact CZ3-CZ 3.38Å
120G93.2Very high96.5Very high10 Ų1054.9 Ų54.910%0.10324%0.244CC..THydrogen-bonded Turntrans6230.8-174.900000112.5Q116Q116-G120 VanDerWaalsContact O-CA 3.29Å; Q116-G120 WeakPolarHBondContact O-CA 3.31Å; Q116-G120 PolarHBondContact O-N 2.83Å
121R93Very high96.7Very high150 Ų15048.4 Ų48.457%0.56621%0.214SC*.  trans-116106.5-175.1-72.5-178.8-178.5-173.7-0.2109.5W115 Q116 W119W115-R121 HydrophobicContact CH2-CB 3.83Å; W115-R121 HydrophobicContact CH2-CG 4.39Å; W115-R121 HydrophobicContact CZ3-CB 3.59Å; Q116-R121 WeakPolarHBondContact CA-O 3.22Å; Q116-R121 WeakPolarHBondContact CB-O 3.42Å; Q116-R121 WeakPolarHBondContact CG-O 3.38Å; Q116-R121 PolarHBondContact O-N 3.4Å; W119-R121 HydrophobicContact CB-CB 4.36Å; W119-R121 HydrophobicContact CB-CG 4.19Å; W119-R121 PolarHBondContact O-N 3.22Å
122N96.2Very high96.7Very high42 Ų4252.6 Ų52.623%0.22523%0.231CC..  trans-71.7133.3178.5-157.3-49000111.2A124 M153 W156 A157 T158N122-A124 WeakPolarHBondContact OD1-CA 3.05Å; N122-A124 WeakPolarHBondContact OD1-CB 3.17Å; N122-A124 PolarHBondContact OD1-N 3Å; N122-A124 PolarHBondContact OD1-O 2.8Å; N122-M153 HydrophobicContact CB-CG 4.35Å; N122-M153 HydrophobicContact CB-SD 3.87Å; N122-M153 PolarHBondContact ND2-SD 3.41Å; N122-W156 WeakPolarHBondContact CB-O 3.34Å; N122-W156 PolarHBondContact ND2-O 2.82Å; N122-W156 VanDerWaalsContact ND2-O 3.11Å; N122-A157 WeakPolarHBondContact CA-O 3.31Å; N122-A157 PolarHBondContact N-O 3.13Å; N122-T158 WeakPolarHBondContact ND2-CA 3.21Å
123A97.3Very high96.7Very high10 Ų1054 Ų548%0.08324%0.236CC..  trans-125.95.3175.900000112.1V107 Q108 V111 Q116V107-A123 WeakPolarHBondContact CA-O 3.44Å; V107-A123 HydrophobicContact CG1-CB 4.47Å; Q108-A123 HydrophobicContact CB-CB 4.04Å; Q108-A123 PolarHBondContact N-O 2.83Å; V111-A123 HydrophobicContact CB-CB 4.18Å; V111-A123 HydrophobicContact CG1-CB 3.92Å; V111-A123 HydrophobicContact CG2-CB 4.48Å; Q116-A123 HydrophobicContact CG-CB 4.28Å
124A98.1Very high96.6Very high3 Ų351.3 Ų51.33%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-92.7143.9178.800000111C106 V107 N122 F159C106-A124 CarbonylContact O-C 3.4Å; C106-A124 WeakPolarHBondContact O-CA 3.39Å; V107-A124 HydrophobicContact CG2-CB 4.24Å; N122-A124 WeakPolarHBondContact OD1-CA 3.05Å; N122-A124 WeakPolarHBondContact OD1-CB 3.17Å; N122-A124 PolarHBondContact OD1-N 3Å; N122-A124 PolarHBondContact OD1-O 2.8Å; A124-F159 HydrophobicContact CB-CD1 4.15Å; A124-F159 HydrophobicContact CB-CE1 3.87Å; A124-F159 HydrophobicContact CB-CZ 4.33Å; A124-F159 WeakPolarHBondContact O-CE1 3.45Å
125R98.1Very high96.7Very high67 Ų6741.6 Ų41.625%0.25319%0.189SC..EExtended strand (participates in β ladder)trans-124.2138.1176.5-53.5-16770.274.84.6109.2L81 I105 C106 D143 T145L81-R125 HydrophobicContact CD1-CB 4.35Å; I105-R125 VanDerWaalsContact CA-O 3.25Å; I105-R125 WeakPolarHBondContact CA-O 3.11Å; C106-R125 HydrophobicContact CB-CB 4.25Å; C106-R125 PolarHBondContact N-O 2.93Å; C106-R125 PolarHBondContact O-N 2.85Å; R125-D143 IonicContact CZ-OD2 3.24Å; R125-D143 IonicContact NE-OD1 3.78Å; R125-D143 IonicContact NE-OD2 2.67Å; R125-D143 PolarHBondContact NE-OD2 2.9Å; R125-D143 IonicContact NH2-OD1 2.72Å; R125-D143 IonicContact NH2-OD2 2.95Å; R125-D143 PolarHBondContact NH2-OD2 2.92Å; R125-T145 WeakPolarHBondContact CA-OG1 3.21Å; R125-T145 WeakPolarHBondContact CB-OG1 3.49Å
126L98.5Very high96.7Very high1 Ų140.1 Ų40.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-85.8120176.2179.362.4000107.6F103 L144 T145 V148 F159 V161 F201F103-L126 HydrophobicContact CD1-CD1 4.17Å; L126-L144 HydrophobicContact CB-CB 4.44Å; L126-L144 HydrophobicContact CD2-CB 4Å; L126-L144 HydrophobicContact CD2-CD1 4.49Å; L126-L144 HydrophobicContact CG-CB 4.09Å; L126-L144 PolarHBondContact O-N 3.21Å; L126-T145 PolarHBondContact N-OG1 3.03Å; L126-V148 HydrophobicContact CD2-CB 4.17Å; L126-V148 HydrophobicContact CD2-CG1 4.16Å; L126-V148 HydrophobicContact CD2-CG2 4.47Å; L126-F159 HydrophobicContact CB-CE2 3.78Å; L126-F159 HydrophobicContact CB-CZ 3.9Å; L126-F159 HydrophobicContact CD1-CE2 4.33Å; L126-V161 HydrophobicContact CD1-CG1 3.4Å; L126-V161 VanDerWaalsContact CD1-CG1 3.4Å; L126-F201 HydrophobicContact CD1-CD2 4.25Å; L126-F201 HydrophobicContact CD1-CE2 3.97Å; L126-F201 HydrophobicContact CD2-CD1 4.3Å; L126-F201 HydrophobicContact CD2-CD2 4.08Å; L126-F201 HydrophobicContact CD2-CE1 4.13Å; L126-F201 HydrophobicContact CD2-CE2 3.89Å; L126-F201 HydrophobicContact CD2-CG 4.28Å; L126-F201 HydrophobicContact CD2-CZ 3.92Å
127C98.6Very high96.7Very high0 Ų043.2 Ų43.20%021%0.214CC..EExtended strand (participates in β ladder)trans-131.6153.3-177.4-60.20000110.8F103 F104 V141 K142F103-C127 WeakPolarHBondContact CA-O 3.23Å; F104-C127 HydrophobicContact CD2-CB 3.71Å; F104-C127 HydrophobicContact CE2-CB 3.29Å; F104-C127 HydrophobicContact CZ-CB 3.75Å; F104-C127 PolarHBondContact N-O 2.84Å; F104-C127 PolarHBondContact O-N 2.85Å; F104-C127 VanDerWaalsContact O-O 3.07Å; C127-V141 HydrophobicContact CB-CG2 3.92Å; C127-K142 VanDerWaalsContact CA-O 3.27Å; C127-K142 WeakPolarHBondContact CA-O 3.44Å
128F98.1Very high96.9Very high4 Ų442.5 Ų42.52%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-145.5162.3163.479.1-87000110.7Y101 L102 F103 Y130 K142 L144Y101-F128 AromaticContact CD1-CD2 3.68Å; Y101-F128 HydrophobicContact CD1-CD2 3.68Å; Y101-F128 AromaticContact CD1-CE2 3.58Å; Y101-F128 HydrophobicContact CD1-CE2 3.58Å; Y101-F128 HydrophobicContact CE1-CD2 4.32Å; Y101-F128 AromaticContact CE1-CE2 3.74Å; Y101-F128 HydrophobicContact CE1-CE2 3.74Å; Y101-F128 HydrophobicContact CE1-CZ 4.48Å; L102-F128 WeakPolarHBondContact O-CA 3.37Å; L102-F128 WeakPolarHBondContact O-CB 3.17Å; F103-F128 HydrophobicContact CD1-CB 3.93Å; F103-F128 HydrophobicContact CD2-CB 4.15Å; F103-F128 HydrophobicContact CE1-CB 3.95Å; F103-F128 HydrophobicContact CE1-CD1 4.14Å; F103-F128 HydrophobicContact CE1-CG 4.27Å; F103-F128 HydrophobicContact CE2-CB 4.14Å; F103-F128 HydrophobicContact CE2-CG 4.45Å; F103-F128 HydrophobicContact CG-CB 4.03Å; F103-F128 HydrophobicContact CZ-CB 4.01Å; F103-F128 HydrophobicContact CZ-CD1 4.15Å; F103-F128 HydrophobicContact CZ-CG 4.09Å; F128-Y130 HydrophobicContact CE2-CD1 4.06Å; F128-K142 HydrophobicContact CD1-CB 4.18Å; F128-K142 HydrophobicContact CE1-CB 3.84Å; F128-K142 HydrophobicContact CE1-CD 4.04Å; F128-K142 HydrophobicContact CE2-CD 4.06Å; F128-K142 HydrophobicContact CZ-CB 4.12Å; F128-K142 HydrophobicContact CZ-CD 3.53Å; F128-K142 HydrophobicContact CZ-CG 4.39Å; F128-K142 PolarHBondContact N-O 3.39Å; F128-K142 PolarHBondContact O-N 2.98Å; F128-L144 HydrophobicContact CD1-CD1 3.31Å; F128-L144 HydrophobicContact CD1-CD2 4.36Å; F128-L144 HydrophobicContact CD1-CG 3.6Å; F128-L144 HydrophobicContact CE1-CD1 3.42Å; F128-L144 VanDerWaalsContact CE1-CD1 3.42Å; F128-L144 HydrophobicContact CE1-CD2 3.79Å; F128-L144 HydrophobicContact CE1-CG 3.55Å
129L98.3Very high97Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-136.4172.8158.852.471.8000108E78 A79 L102 F104 W138E78-L129 VanDerWaalsContact C-CD2 3.45Å; E78-L129 HydrophobicContact CB-CD2 3.74Å; A79-L129 HydrophobicContact CB-CD2 3.76Å; A79-L129 HydrophobicContact CB-CG 4.45Å; L102-L129 HydrophobicContact CB-CD1 4.26Å; L102-L129 HydrophobicContact CD2-CD1 4.48Å; L102-L129 PolarHBondContact N-O 2.9Å; L102-L129 PolarHBondContact O-N 3.27Å; F104-L129 HydrophobicContact CE1-CG 4.08Å; L129-W138 HydrophobicContact CD1-CB 3.96Å; L129-W138 HydrophobicContact CD1-CD2 3.61Å; L129-W138 HydrophobicContact CD1-CE3 3.02Å; L129-W138 HydrophobicContact CD1-CG 4.05Å; L129-W138 HydrophobicContact CD1-CZ3 3.62Å; L129-W138 HydrophobicContact CD2-CB 4.49Å
130Y98.2Very high97.2Very high59 Ų5943.1 Ų43.123%0.23122%0.221CC..EExtended strand (participates in β ladder)trans-138.3156.7179.767.4-87.9000112.7R99 V100 Y101 F128 E132 G139R99-Y130 HydrophobicContact CG-CD2 4.41Å; V100-Y130 CarbonylContact O-C 3.55Å; V100-Y130 WeakPolarHBondContact O-CA 3.37Å; V100-Y130 VanDerWaalsContact O-CB 3.27Å; V100-Y130 WeakPolarHBondContact O-CB 3.35Å; Y101-Y130 HydrophobicContact CD1-CG 4.42Å; Y101-Y130 HydrophobicContact CE1-CD1 4.27Å; Y101-Y130 HydrophobicContact CE1-CG 4.22Å; F128-Y130 HydrophobicContact CE2-CD1 4.06Å; Y130-E132 HydrophobicContact CD2-CG 3.83Å; Y130-E132 HydrophobicContact CE2-CG 3.61Å; Y130-G139 PolarHBondContact O-N 2.98Å
131S98.5Very high97.4Very high1 Ų144.6 Ų44.61%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-115.9137.3172.9170.40000109.2R99 V100 D133 G135 S137R99-S131 WeakPolarHBondContact CA-O 3.29Å; V100-S131 PolarHBondContact N-O 2.85Å; V100-S131 PolarHBondContact O-N 3.41Å; S131-D133 PolarHBondContact OG-N 2.96Å; S131-D133 PolarHBondContact OG-OD1 2.85Å; S131-G135 VanDerWaalsContact OG-CA 3.27Å; S131-G135 WeakPolarHBondContact OG-CA 3.03Å; S131-G135 PolarHBondContact OG-N 3.5Å; S131-S137 WeakPolarHBondContact CA-O 3.13Å; S131-S137 WeakPolarHBondContact CB-O 3.44Å; S131-S137 PolarHBondContact OG-O 2.76Å
132E97.4Very high97.6Very high122 Ų12242.4 Ų42.457%0.5722%0.222SC*.SBendtrans-101.71.4174.8-57-166.8126.900112.3R99 Y130R99-E132 HydrophobicContact CG-CG 4.19Å; R99-E132 IonicContact CZ-OE1 3.52Å; R99-E132 IonicContact NE-OE1 3.51Å; R99-E132 PolarHBondContact NE-OE1 3.24Å; R99-E132 IonicContact NH2-OE1 2.72Å; R99-E132 PolarHBondContact NH2-OE1 2.86Å; Y130-E132 HydrophobicContact CD2-CG 3.83Å; Y130-E132 HydrophobicContact CE2-CG 3.61Å
133D97.2Very high97.7Very high57 Ų5743.2 Ų43.231%0.30523%0.227SC..SBendtrans-131.335.3-170.563.29.4000112.9S131 G135 C136 S137S131-D133 PolarHBondContact OG-N 2.96Å; S131-D133 PolarHBondContact OG-OD1 2.85Å; D133-G135 VanDerWaalsContact C-N 3.3Å; D133-G135 PolarHBondContact O-N 3.11Å; D133-C136 HydrophobicContact CB-CB 4.34Å; D133-C136 PolarHBondContact O-N 3.09Å; D133-C136 PolarHBondContact O-SG 3.27Å; D133-C136 WeakPolarHBondContact OD1-CA 3.27Å; D133-C136 PolarHBondContact OD1-N 3.02Å; D133-C136 WeakPolarHBondContact OD2-CB 3.47Å; D133-S137 PolarHBondContact OD1-N 2.91Å; D133-S137 WeakPolarHBondContact OD2-CB 3.36Å; D133-S137 PolarHBondContact OD2-N 2.85Å; D133-S137 VanDerWaalsContact OD2-N 3.11Å; D133-S137 PolarHBondContact OD2-OG 2.88Å
134S95.5Very high97.7Very high16 Ų1643.1 Ų43.111%0.11223%0.225CC..THydrogen-bonded Turntrans55.942.6-179.7-58.70000113.3T35 R60T35-S134 WeakPolarHBondContact CG2-OG 3.2Å; T35-S134 PolarHBondContact OG1-OG 2.83Å; T35-S134 VanDerWaalsContact OG1-OG 3.11Å; R60-S134 PolarHBondContact NE-O 3.37Å; R60-S134 VanDerWaalsContact NE-O 3.1Å; R60-S134 PolarHBondContact NH2-O 2.91Å
135G97.1Very high97.7Very high0 Ų043 Ų430%022%0.224CC..THydrogen-bonded Turntrans79.714.4174.600000115.3F58 R60 S131 D133F58-G135 WeakPolarHBondContact CE2-O 3.08Å; R60-G135 VanDerWaalsContact CD-O 3.24Å; R60-G135 WeakPolarHBondContact CD-O 3.44Å; S131-G135 VanDerWaalsContact OG-CA 3.27Å; S131-G135 WeakPolarHBondContact OG-CA 3.03Å; S131-G135 PolarHBondContact OG-N 3.5Å; D133-G135 VanDerWaalsContact C-N 3.3Å; D133-G135 PolarHBondContact O-N 3.11Å
136C97.1Very high97.6Very high66 Ų6645.8 Ų45.845%0.44624%0.24SC..SBendtrans-73-39.7175.5-55.50000111.4R60 D133R60-C136 PolarHBondContact NH1-SG 3.19Å; R60-C136 PolarHBondContact NH2-SG 2.63Å; D133-C136 HydrophobicContact CB-CB 4.34Å; D133-C136 PolarHBondContact O-N 3.09Å; D133-C136 PolarHBondContact O-SG 3.27Å; D133-C136 WeakPolarHBondContact OD1-CA 3.27Å; D133-C136 PolarHBondContact OD1-N 3.02Å; D133-C136 WeakPolarHBondContact OD2-CB 3.47Å
137S97.6Very high97.4Very high68 Ų6851.3 Ų51.348%0.47627%0.265SS..SBendtrans-134.4157.1174.969.40000110.7S131 D133S131-S137 WeakPolarHBondContact CA-O 3.13Å; S131-S137 WeakPolarHBondContact CB-O 3.44Å; S131-S137 PolarHBondContact OG-O 2.76Å; D133-S137 PolarHBondContact OD1-N 2.91Å; D133-S137 WeakPolarHBondContact OD2-CB 3.36Å; D133-S137 PolarHBondContact OD2-N 2.85Å; D133-S137 VanDerWaalsContact OD2-N 3.11Å; D133-S137 PolarHBondContact OD2-OG 2.88Å
138W98.4Very high97.3Very high27 Ų2752 Ų5210%0.10227%0.27CS..  trans-129.5137.6-175.9-66.597.8000109.6L39 F41 F58 L76 V100 L102 L129L39-W138 HydrophobicContact CD1-CH2 4.42Å; L39-W138 HydrophobicContact CD1-CZ2 4.39Å; F41-W138 AromaticContact CE1-CH2 3.93Å; F41-W138 HydrophobicContact CE1-CH2 3.93Å; F41-W138 AromaticContact CE1-CZ2 3.6Å; F41-W138 HydrophobicContact CE1-CZ2 3.6Å; F41-W138 AromaticContact CZ-CH2 3.62Å; F41-W138 HydrophobicContact CZ-CH2 3.62Å; F41-W138 AromaticContact CZ-CZ2 3.57Å; F41-W138 HydrophobicContact CZ-CZ2 3.57Å; F58-W138 AromaticContact CE1-NE1 3.71Å; F58-W138 AromaticContact CE2-NE1 3.78Å; F58-W138 AromaticContact CZ-NE1 3.35Å; F58-W138 VanDerWaalsContact CZ-NE1 3.35Å; L76-W138 HydrophobicContact CD1-CB 4.01Å; L76-W138 HydrophobicContact CD1-CD2 4.08Å; L76-W138 HydrophobicContact CD1-CG 3.52Å; V100-W138 HydrophobicContact CG1-CH2 3.94Å; V100-W138 HydrophobicContact CG1-CZ3 4.22Å; L102-W138 HydrophobicContact CB-CH2 3.98Å; L102-W138 HydrophobicContact CB-CZ3 3.78Å; L102-W138 HydrophobicContact CD2-CH2 4.38Å; L129-W138 HydrophobicContact CD1-CB 3.96Å; L129-W138 HydrophobicContact CD1-CD2 3.61Å; L129-W138 HydrophobicContact CD1-CE3 3.02Å; L129-W138 HydrophobicContact CD1-CG 4.05Å; L129-W138 HydrophobicContact CD1-CZ3 3.62Å; L129-W138 HydrophobicContact CD2-CB 4.49Å
139G97.6Very high97.2Very high30 Ų3052.2 Ų52.231%0.30927%0.272SS..  trans-72.8-178174.600000113Y130Y130-G139 PolarHBondContact O-N 2.98Å
140E96.9Very high97Very high173 Ų17353 Ų5381%0.80828%0.279SS*.  trans-68.9147176.5-62-174.2148.800112K142E140-K142 PolarHBondContact O-N 2.89Å
141V98Very high96.7Very high40 Ų4054.4 Ų54.424%0.24230%0.298CS..  trans-62.7131.5173.160.10000111.5E78 L81 F104 C127E78-V141 WeakPolarHBondContact O-CB 3.28Å; L81-V141 HydrophobicContact CD2-CG1 3.95Å; L81-V141 HydrophobicContact CD2-CG2 4.35Å; F104-V141 HydrophobicContact CE2-CG2 4.15Å; F104-V141 HydrophobicContact CZ-CG2 3.75Å; C127-V141 HydrophobicContact CB-CG2 3.92Å
142K97.9Very high96.4Very high104 Ų10458.8 Ų58.845%0.45232%0.318SS..EExtended strand (participates in β ladder)trans-107.4130.6169.6-68.5-177.6178-178.10109.5C127 F128 E140C127-K142 VanDerWaalsContact CA-O 3.27Å; C127-K142 WeakPolarHBondContact CA-O 3.44Å; F128-K142 HydrophobicContact CD1-CB 4.18Å; F128-K142 HydrophobicContact CE1-CB 3.84Å; F128-K142 HydrophobicContact CE1-CD 4.04Å; F128-K142 HydrophobicContact CE2-CD 4.06Å; F128-K142 HydrophobicContact CZ-CB 4.12Å; F128-K142 HydrophobicContact CZ-CD 3.53Å; F128-K142 HydrophobicContact CZ-CG 4.39Å; F128-K142 PolarHBondContact N-O 3.39Å; F128-K142 PolarHBondContact O-N 2.98Å; E140-K142 PolarHBondContact O-N 2.89Å
143D97.9Very high96.1Very high60 Ų6054.5 Ų54.532%0.32130%0.298SS..EExtended strand (participates in β ladder)trans-97.5108.6175.2-178.3-6.3000109.9R125 T145R125-D143 IonicContact CZ-OD2 3.24Å; R125-D143 IonicContact NE-OD1 3.78Å; R125-D143 IonicContact NE-OD2 2.67Å; R125-D143 PolarHBondContact NE-OD2 2.9Å; R125-D143 IonicContact NH2-OD1 2.72Å; R125-D143 IonicContact NH2-OD2 2.95Å; R125-D143 PolarHBondContact NH2-OD2 2.92Å; D143-T145 WeakPolarHBondContact OD1-CB 3.47Å; D143-T145 PolarHBondContact OD1-N 3.46Å; D143-T145 PolarHBondContact OD1-OG1 2.92Å
144L97.3Very high95.8Very high7 Ų758.1 Ų58.14%0.03731%0.312CS..  trans-91.70.8-176.4-76.7-174.4000113.6F103 L126 F128 E146 E147 V148 W210F103-L144 HydrophobicContact CE1-CD1 3.85Å; F103-L144 HydrophobicContact CZ-CD1 4.4Å; L126-L144 HydrophobicContact CB-CB 4.44Å; L126-L144 HydrophobicContact CD2-CB 4Å; L126-L144 HydrophobicContact CD2-CD1 4.49Å; L126-L144 HydrophobicContact CG-CB 4.09Å; L126-L144 PolarHBondContact O-N 3.21Å; F128-L144 HydrophobicContact CD1-CD1 3.31Å; F128-L144 HydrophobicContact CD1-CD2 4.36Å; F128-L144 HydrophobicContact CD1-CG 3.6Å; F128-L144 HydrophobicContact CE1-CD1 3.42Å; F128-L144 VanDerWaalsContact CE1-CD1 3.42Å; F128-L144 HydrophobicContact CE1-CD2 3.79Å; F128-L144 HydrophobicContact CE1-CG 3.55Å; L144-E146 PolarHBondContact O-N 3.28Å; L144-E147 PolarHBondContact O-N 3.24Å; L144-V148 HydrophobicContact CB-CG2 3.81Å; L144-V148 HydrophobicContact CD1-CG2 4.11Å; L144-V148 HydrophobicContact CD2-CG2 4.23Å; L144-V148 HydrophobicContact CG-CG2 4.3Å; L144-V148 WeakPolarHBondContact O-CB 3.25Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 2.86Å; L144-W210 HydrophobicContact CD1-CB 4.13Å; L144-W210 HydrophobicContact CD1-CD2 4.46Å; L144-W210 HydrophobicContact CD1-CG 3.84Å
145T97.1Very high95.7Very high2 Ų261 Ų611%0.01232%0.323CS..Iπ-helixtrans-55.6-50.6-167.7-55.40000112.6R125 L126 D143 V149 G150 M153R125-T145 WeakPolarHBondContact CA-OG1 3.21Å; R125-T145 WeakPolarHBondContact CB-OG1 3.49Å; L126-T145 PolarHBondContact N-OG1 3.03Å; D143-T145 WeakPolarHBondContact OD1-CB 3.47Å; D143-T145 PolarHBondContact OD1-N 3.46Å; D143-T145 PolarHBondContact OD1-OG1 2.92Å; T145-V149 WeakPolarHBondContact O-CB 3.31Å; T145-V149 PolarHBondContact O-N 2.95Å; T145-V149 VanDerWaalsContact O-N 3.1Å; T145-G150 PolarHBondContact O-N 2.86Å; T145-M153 HydrophobicContact CG2-CE 3.23Å
146E96.1Very high95.6Very high125 Ų12561.2 Ų61.258%0.58432%0.324SS*.Iπ-helixtrans-75-35.1-178.4-60.8-56.3143.600112.5L144 G150L144-E146 PolarHBondContact O-N 3.28Å; E146-G150 WeakPolarHBondContact O-CA 3.42Å; E146-G150 PolarHBondContact O-N 3.17Å
147E95.8Very high95.6Very high116 Ų11658 Ų5854%0.54230%0.303SS..Iπ-helixtrans-68.3-44.5-179.2-175.4-175.3135.700111.7L144L144-E147 PolarHBondContact O-N 3.24Å
148V96.5Very high95.7Very high15 Ų1555.1 Ų55.19%0.09128%0.282CS..Iπ-helixtrans-96.4-40.2-168.8-178.70000112.6L126 L144 F201 W210 C212L126-V148 HydrophobicContact CD2-CB 4.17Å; L126-V148 HydrophobicContact CD2-CG1 4.16Å; L126-V148 HydrophobicContact CD2-CG2 4.47Å; L144-V148 HydrophobicContact CB-CG2 3.81Å; L144-V148 HydrophobicContact CD1-CG2 4.11Å; L144-V148 HydrophobicContact CD2-CG2 4.23Å; L144-V148 HydrophobicContact CG-CG2 4.3Å; L144-V148 WeakPolarHBondContact O-CB 3.25Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 2.86Å; V148-F201 HydrophobicContact CG1-CD1 3.42Å; V148-F201 VanDerWaalsContact CG1-CD1 3.42Å; V148-F201 HydrophobicContact CG1-CE1 3.68Å; V148-F201 HydrophobicContact CG1-CG 4.37Å; V148-W210 HydrophobicContact CG2-CB 3.46Å; V148-W210 VanDerWaalsContact CG2-CB 3.46Å; V148-C212 HydrophobicContact CG1-CB 4.37Å
149V95.1Very high95.6Very high9 Ų954 Ų546%0.05528%0.278CS..Iπ-helixtrans-100.6-42.9-178.7-171.80000110.6T145 S151 E152 M153 W156 F201T145-V149 WeakPolarHBondContact O-CB 3.31Å; T145-V149 PolarHBondContact O-N 2.95Å; T145-V149 VanDerWaalsContact O-N 3.1Å; V149-S151 PolarHBondContact O-N 2.97Å; V149-E152 HydrophobicContact CG1-CB 4.27Å; V149-E152 WeakPolarHBondContact O-CB 3.16Å; V149-E152 PolarHBondContact O-N 3.02Å; V149-E152 VanDerWaalsContact O-N 3.12Å; V149-M153 HydrophobicContact CB-CE 3.84Å; V149-M153 HydrophobicContact CG1-CB 4.25Å; V149-M153 HydrophobicContact CG1-CE 3.73Å; V149-M153 HydrophobicContact CG1-SD 4.46Å; V149-M153 HydrophobicContact CG2-CE 4.28Å; V149-W156 HydrophobicContact CB-CZ3 4.41Å; V149-W156 HydrophobicContact CG1-CD2 4.01Å; V149-W156 HydrophobicContact CG1-CE3 3.77Å; V149-W156 HydrophobicContact CG1-CH2 3.79Å; V149-W156 HydrophobicContact CG1-CZ2 3.98Å; V149-W156 HydrophobicContact CG1-CZ3 3.67Å; V149-W156 HydrophobicContact CG2-CH2 3.98Å; V149-W156 HydrophobicContact CG2-CZ3 3.77Å; V149-F201 HydrophobicContact CG2-CE1 4.12Å; V149-F201 HydrophobicContact CG2-CZ 4.23Å
150G93.4Very high95.7Very high16 Ų1652.7 Ų52.717%0.16526%0.264CS..G310 helixtrans49.3-126.6173.300000113.5T145 E146 E152 M153T145-G150 PolarHBondContact O-N 2.86Å; E146-G150 WeakPolarHBondContact O-CA 3.42Å; E146-G150 PolarHBondContact O-N 3.17Å; G150-E152 PolarHBondContact O-N 2.97Å; G150-E152 VanDerWaalsContact O-N 3.13Å; G150-M153 WeakPolarHBondContact O-CB 3.41Å; G150-M153 PolarHBondContact O-N 3.07Å; G150-M153 VanDerWaalsContact O-N 3.1Å
151S92.3Very high95.7Very high88 Ų8844.5 Ų44.562%0.61523%0.226SC*.G310 helixtrans-63.2-20.5-175.559.70000115V149 M153 K154V149-S151 PolarHBondContact O-N 2.97Å; S151-M153 PolarHBondContact O-N 3.14Å; S151-K154 WeakPolarHBondContact O-CD 3.29Å; S151-K154 WeakPolarHBondContact O-CG 3.46Å
152E91.7Very high95.2Very high94 Ų9442.6 Ų42.644%0.43921%0.214SC..G310 helixtrans-70.6-17.8178.3-65.9-56.4113.300112.3V149 G150 K154 H155V149-E152 HydrophobicContact CG1-CB 4.27Å; V149-E152 WeakPolarHBondContact O-CB 3.16Å; V149-E152 PolarHBondContact O-N 3.02Å; V149-E152 VanDerWaalsContact O-N 3.12Å; G150-E152 PolarHBondContact O-N 2.97Å; G150-E152 VanDerWaalsContact O-N 3.13Å; E152-K154 PolarHBondContact O-N 3.41Å; E152-K154 VanDerWaalsContact O-N 3.08Å; E152-H155 WeakPolarHBondContact O-CB 3.42Å; E152-H155 PolarHBondContact O-N 2.93Å; E152-H155 IonicContact OE2-CD2 3.44Å
153M91.8Very high95.2Very high31 Ų3137.7 Ų37.715%0.15319%0.193CC..G310 helixtrans-53.2-34.8-179.9-172.86168.900112.8N122 T145 V149 G150 S151 H155 W156 F159N122-M153 HydrophobicContact CB-CG 4.35Å; N122-M153 HydrophobicContact CB-SD 3.87Å; N122-M153 PolarHBondContact ND2-SD 3.41Å; T145-M153 HydrophobicContact CG2-CE 3.23Å; V149-M153 HydrophobicContact CB-CE 3.84Å; V149-M153 HydrophobicContact CG1-CB 4.25Å; V149-M153 HydrophobicContact CG1-CE 3.73Å; V149-M153 HydrophobicContact CG1-SD 4.46Å; V149-M153 HydrophobicContact CG2-CE 4.28Å; G150-M153 WeakPolarHBondContact O-CB 3.41Å; G150-M153 PolarHBondContact O-N 3.07Å; G150-M153 VanDerWaalsContact O-N 3.1Å; S151-M153 PolarHBondContact O-N 3.14Å; M153-H155 PolarHBondContact O-N 2.76Å; M153-H155 VanDerWaalsContact O-N 3.15Å; M153-W156 PolarHBondContact O-N 2.79Å; M153-F159 HydrophobicContact CE-CD1 4.45Å; M153-F159 HydrophobicContact CE-CE1 3.71Å; M153-F159 HydrophobicContact CE-CZ 4.36Å; M153-F159 HydrophobicContact SD-CD1 4.39Å; M153-F159 HydrophobicContact SD-CE1 4.06Å
154K90.2Very high95.2Very high134 Ų13434.9 Ų34.958%0.58318%0.178SC*.G310 helixtrans-64.3-17.3177.875.3-165.5177-171.80114.1S151 E152S151-K154 WeakPolarHBondContact O-CD 3.29Å; S151-K154 WeakPolarHBondContact O-CG 3.46Å; E152-K154 PolarHBondContact O-N 3.41Å; E152-K154 VanDerWaalsContact O-N 3.08Å
155H93.7Very high95.2Very high76 Ų7635.2 Ų35.235%0.35218%0.179SC..G310 helixtrans-98.6-3.4177.9-62.6-57.8000112.4E152 M153 I183E152-H155 WeakPolarHBondContact O-CB 3.42Å; E152-H155 PolarHBondContact O-N 2.93Å; E152-H155 IonicContact OE2-CD2 3.44Å; M153-H155 PolarHBondContact O-N 2.76Å; M153-H155 VanDerWaalsContact O-N 3.15Å; H155-I183 PolarHBondContact O-N 3.02Å
156W96.3Very high95.3Very high4 Ų435.3 Ų35.32%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-110.8115.2-177.5-64.317.6000108.4N122 V149 M153 T158 F159 A180 Y181 L182 L199 F201 F215N122-W156 WeakPolarHBondContact CB-O 3.34Å; N122-W156 PolarHBondContact ND2-O 2.82Å; N122-W156 VanDerWaalsContact ND2-O 3.11Å; V149-W156 HydrophobicContact CB-CZ3 4.41Å; V149-W156 HydrophobicContact CG1-CD2 4.01Å; V149-W156 HydrophobicContact CG1-CE3 3.77Å; V149-W156 HydrophobicContact CG1-CH2 3.79Å; V149-W156 HydrophobicContact CG1-CZ2 3.98Å; V149-W156 HydrophobicContact CG1-CZ3 3.67Å; V149-W156 HydrophobicContact CG2-CH2 3.98Å; V149-W156 HydrophobicContact CG2-CZ3 3.77Å; M153-W156 PolarHBondContact O-N 2.79Å; W156-T158 VanDerWaalsContact C-N 3.3Å; W156-T158 PolarHBondContact O-N 3.34Å; W156-F159 HydrophobicContact CE3-CB 3.72Å; W156-F159 AromaticContact CE3-CD1 3.79Å; W156-F159 HydrophobicContact CE3-CD1 3.79Å; W156-F159 AromaticContact CE3-CG 3.81Å; W156-F159 HydrophobicContact CE3-CG 3.81Å; W156-F159 HydrophobicContact CZ3-CB 3.94Å; W156-F159 HydrophobicContact CZ3-CD1 4.19Å; W156-F159 HydrophobicContact CZ3-CD2 4.32Å; W156-F159 AromaticContact CZ3-CG 3.88Å; W156-F159 HydrophobicContact CZ3-CG 3.88Å; W156-A180 HydrophobicContact CD2-CB 3.48Å; W156-A180 VanDerWaalsContact CD2-CB 3.48Å; W156-A180 HydrophobicContact CE3-CB 3.46Å; W156-A180 VanDerWaalsContact CE3-CB 3.46Å; W156-A180 HydrophobicContact CG-CB 3.99Å; W156-A180 HydrophobicContact CH2-CB 4.19Å; W156-A180 HydrophobicContact CZ2-CB 4.25Å; W156-A180 HydrophobicContact CZ3-CB 3.82Å; W156-Y181 CarbonylContact C-O 3.52Å; W156-Y181 WeakPolarHBondContact CA-O 3.13Å; W156-L182 VanDerWaalsContact CD1-CD2 3.49Å; W156-L182 HydrophobicContact CG-CD2 4.21Å; W156-L199 HydrophobicContact CH2-CD2 3.93Å; W156-L199 HydrophobicContact CZ2-CD2 4.3Å; W156-F201 HydrophobicContact CH2-CE1 4.32Å; W156-F201 HydrophobicContact CH2-CZ 4.23Å; W156-F201 HydrophobicContact CZ3-CZ 4.25Å; W156-F215 AromaticContact CE2-CZ 3.68Å; W156-F215 HydrophobicContact CZ2-CE1 4.23Å; W156-F215 HydrophobicContact CZ2-CE2 4.46Å; W156-F215 AromaticContact CZ2-CZ 3.52Å; W156-F215 HydrophobicContact CZ2-CZ 3.52Å; W156-F215 AromaticContact NE1-CZ 3.61Å
157A97Very high95.4Very high0 Ų030.7 Ų30.70%016%0.16CC..EExtended strand (participates in β ladder)trans-64-39.6175.100000111.2Q116 L117 N122 Y181 I183 V194Q116-A157 WeakPolarHBondContact CB-O 3.47Å; L117-A157 HydrophobicContact CD2-CB 3.96Å; N122-A157 WeakPolarHBondContact CA-O 3.31Å; N122-A157 PolarHBondContact N-O 3.13Å; A157-Y181 PolarHBondContact N-O 2.99Å; A157-I183 HydrophobicContact CB-CD1 4.16Å; A157-I183 HydrophobicContact CB-CG1 3.97Å; A157-V194 HydrophobicContact CB-CG1 3.72Å; A157-V194 HydrophobicContact CB-CG2 4.46Å
158T97.7Very high95.5Very high7 Ų726.6 Ų26.64%0.04314%0.141CC..EExtended strand (participates in β ladder)trans-165.9168.7171.8-173.10000108.3E113 Q116 L117 N122 W156 Y181E113-T158 HydrophobicContact CG-CG2 3.85Å; Q116-T158 PolarHBondContact NE2-OG1 3.01Å; Q116-T158 PolarHBondContact OE1-OG1 2.9Å; L117-T158 HydrophobicContact CD2-CG2 4.1Å; N122-T158 WeakPolarHBondContact ND2-CA 3.21Å; W156-T158 VanDerWaalsContact C-N 3.3Å; W156-T158 PolarHBondContact O-N 3.34Å; T158-Y181 HydrophobicContact CG2-CD2 3.4Å; T158-Y181 VanDerWaalsContact CG2-CD2 3.4Å; T158-Y181 HydrophobicContact CG2-CE2 3.9Å; T158-Y181 HydrophobicContact CG2-CG 4.13Å; T158-Y181 PolarHBondContact O-N 2.88Å
159F98.2Very high95.4Very high3 Ų326 Ų261%0.01314%0.137CC..EExtended strand (participates in β ladder)trans-149.3168.6173.768.8-80.6000110.5I105 A124 L126 M153 W156 Y179 A180I105-F159 HydrophobicContact CG2-CD2 4.44Å; I105-F159 HydrophobicContact CG2-CE2 4.1Å; A124-F159 HydrophobicContact CB-CD1 4.15Å; A124-F159 HydrophobicContact CB-CE1 3.87Å; A124-F159 HydrophobicContact CB-CZ 4.33Å; A124-F159 WeakPolarHBondContact O-CE1 3.45Å; L126-F159 HydrophobicContact CB-CE2 3.78Å; L126-F159 HydrophobicContact CB-CZ 3.9Å; L126-F159 HydrophobicContact CD1-CE2 4.33Å; M153-F159 HydrophobicContact CE-CD1 4.45Å; M153-F159 HydrophobicContact CE-CE1 3.71Å; M153-F159 HydrophobicContact CE-CZ 4.36Å; M153-F159 HydrophobicContact SD-CD1 4.39Å; M153-F159 HydrophobicContact SD-CE1 4.06Å; W156-F159 HydrophobicContact CE3-CB 3.72Å; W156-F159 AromaticContact CE3-CD1 3.79Å; W156-F159 HydrophobicContact CE3-CD1 3.79Å; W156-F159 AromaticContact CE3-CG 3.81Å; W156-F159 HydrophobicContact CE3-CG 3.81Å; W156-F159 HydrophobicContact CZ3-CB 3.94Å; W156-F159 HydrophobicContact CZ3-CD1 4.19Å; W156-F159 HydrophobicContact CZ3-CD2 4.32Å; W156-F159 AromaticContact CZ3-CG 3.88Å; W156-F159 HydrophobicContact CZ3-CG 3.88Å; F159-Y179 CarbonylContact C-O 3.51Å; F159-Y179 VanDerWaalsContact CA-O 3.22Å; F159-Y179 WeakPolarHBondContact CA-O 3.38Å; F159-Y179 WeakPolarHBondContact CB-O 3.34Å; F159-A180 HydrophobicContact CB-CB 3.77Å
160A98.1Very high95.3Very high3 Ų331 Ų313%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-147.7161.3168.100000111.3I105 A178 Y179I105-A160 HydrophobicContact CD1-CB 3.8Å; I105-A160 HydrophobicContact CG2-CB 4.42Å; A160-A178 WeakPolarHBondContact O-CA 3.25Å; A160-A178 WeakPolarHBondContact O-CB 3.43Å; A160-Y179 HydrophobicContact CB-CD1 4.49Å; A160-Y179 HydrophobicContact CB-CE1 3.69Å; A160-Y179 HydrophobicContact CB-CE2 4.4Å; A160-Y179 PolarHBondContact N-O 2.89Å; A160-Y179 PolarHBondContact O-N 2.87Å
161V97.8Very high95.4Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-94.9153.7166.7-64.10000110.4S88 C90 F103 I105 L126 I176 P177 A178 F201S88-V161 WeakPolarHBondContact CB-O 3.44Å; S88-V161 WeakPolarHBondContact O-CG2 3.38Å; C90-V161 HydrophobicContact CB-CB 4.34Å; C90-V161 HydrophobicContact CB-CG2 4.02Å; F103-V161 HydrophobicContact CB-CG2 4.25Å; I105-V161 HydrophobicContact CG2-CG2 4.46Å; L126-V161 HydrophobicContact CD1-CG1 3.4Å; L126-V161 VanDerWaalsContact CD1-CG1 3.4Å; V161-I176 HydrophobicContact CB-CG2 4.03Å; V161-I176 HydrophobicContact CG1-CG2 4Å; V161-P177 CarbonylContact C-O 3.52Å; V161-A178 HydrophobicContact CG1-CB 4.42Å; V161-F201 HydrophobicContact CG1-CD2 4.1Å; V161-F201 HydrophobicContact CG1-CE2 4.01Å
162G87.1Confident95.5Very high0 Ų030.9 Ų30.90%016%0.159CC..  trans39.6-115.8-176.900000112.8P177G162-P177 PolarHBondContact N-O 3.3Å
163P97Very high95.8Very high2 Ų228 Ų281%0.01314%0.144CC..SBendcis-76.3173.8-4.230.8-32.8000111.9I26 Q225 Q278 Y369I26-P163 HydrophobicContact CG2-CB 3.27Å; I26-P163 HydrophobicContact CG2-CG 3.52Å; P163-Q225 PolarHBondContact O-NE2 2.9Å; P163-Q278 HydrophobicContact CG-CG 4.05Å; P163-Q278 PolarHBondContact O-NE2 3.05Å; P163-Q278 VanDerWaalsContact O-NE2 3.13Å; P163-Y369 HydrophobicContact CG-CD1 3.78Å; P163-Y369 HydrophobicContact CG-CE1 3.66Å
164G98.4Very high96.1Very high0 Ų026.5 Ų26.50%014%0.137CC..SBendtrans121.6-124.5-175.500000109.1A28 P89 C90 P91 D371A28-G164 WeakPolarHBondContact CB-O 3.27Å; P89-G164 PolarHBondContact O-N 2.66Å; C90-G164 WeakPolarHBondContact CA-O 3.25Å; P91-G164 VanDerWaalsContact CD-O 3.25Å; P91-G164 WeakPolarHBondContact CD-O 3.36Å; G164-D371 WeakPolarHBondContact CA-OD1 3.43Å; G164-D371 VanDerWaalsContact CA-OD2 3.31Å; G164-D371 WeakPolarHBondContact CA-OD2 3.15Å
165H98.7Very high96.4Very high14 Ų1420.1 Ų20.17%0.06511%0.109CC..  trans-127.3162.5177.857.8-82.2000112.6P91 P177 Q225 S280 V281 D371 L372P91-H165 WeakPolarHBondContact O-CA 3.47Å; H165-P177 WeakPolarHBondContact O-CD 3.37Å; H165-P177 WeakPolarHBondContact O-CG 3.45Å; H165-Q225 PolarHBondContact CE1-OE1 2.75Å; H165-Q225 VanDerWaalsContact N-NE2 3.13Å; H165-Q225 PolarHBondContact ND1-OE1 2.84Å; H165-Q225 PolarHBondContact NE2-OE1 2.71Å; H165-Q225 PolarHBondContact O-NE2 2.74Å; H165-Q225 PolarHBondContact O-OE1 2.59Å; H165-S280 PolarHBondContact CE1-OG 3.21Å; H165-V281 PolarHBondContact CE1-O 3.28Å; H165-V281 PolarHBondContact NE2-O 3.31Å; H165-D371 IonicContact CE1-OD1 2.71Å; H165-D371 IonicContact CG-OD1 2.75Å; H165-D371 PolarHBondContact N-OD2 3.12Å; H165-D371 IonicContact ND1-OD1 3.11Å; H165-D371 PolarHBondContact ND1-OD1 3.42Å; H165-D371 IonicContact ND1-OD2 3.09Å; H165-D371 PolarHBondContact ND1-OD2 3.04Å; H165-L372 PolarHBondContact CE1-O 3.23Å
166G98.4Very high96.7Very high4 Ų416.5 Ų16.54%0.0419%0.092CC..  trans-98.3174.4162.300000110.7P91 L175P91-G166 PolarHBondContact O-N 3.1Å; G166-L175 CarbonylContact C-O 3.56Å; G166-L175 WeakPolarHBondContact CA-O 3.3Å
167I97.5Very high96.8Very high28 Ų2816.3 Ų16.314%0.1449%0.092CC..EExtended strand (participates in β ladder)trans-133.7155.8-179.366173.1000111.5L169 L175 V226 L238I167-L169 HydrophobicContact CD1-CD2 3.62Å; I167-L169 HydrophobicContact CG1-CD2 4.17Å; I167-L175 HydrophobicContact CG1-CB 4.08Å; I167-L175 HydrophobicContact CG1-CD1 4.46Å; I167-L175 PolarHBondContact N-O 2.98Å; I167-L175 PolarHBondContact O-N 2.94Å; I167-V226 HydrophobicContact CD1-CB 4.47Å; I167-V226 HydrophobicContact CD1-CG2 3.83Å; I167-V226 HydrophobicContact CG1-CG2 4.01Å; I167-L238 HydrophobicContact CD1-CD1 3.82Å
168Q97.5Very high96.8Very high31 Ų3116.3 Ų16.315%0.1459%0.092CC..EExtended strand (participates in β ladder)trans-106.5122.5163.2-168.7176.522.900109.3E94 K95 G172 R173 L174E94-Q168 PolarHBondContact OE1-NE2 2.81Å; K95-Q168 VanDerWaalsContact CD-OE1 3.31Å; Q168-G172 PolarHBondContact NE2-O 3.43Å; Q168-G172 VanDerWaalsContact NE2-O 3.16Å; Q168-R173 WeakPolarHBondContact CA-O 3.3Å; Q168-L174 HydrophobicContact CB-CD2 3.73Å; Q168-L174 HydrophobicContact CG-CD2 3.71Å
169L96Very high96.8Very high2 Ų217.1 Ų17.11%0.0110%0.095CC..  trans-69.5163.7178.3-60.3-171.9000111.8K95 I167 S171 G172 R173 L175 E228 L238K95-L169 PolarHBondContact NZ-O 3.41Å; I167-L169 HydrophobicContact CD1-CD2 3.62Å; I167-L169 HydrophobicContact CG1-CD2 4.17Å; L169-S171 WeakPolarHBondContact CB-OG 3.49Å; L169-S171 PolarHBondContact O-N 3.4Å; L169-G172 PolarHBondContact O-N 3.5Å; L169-R173 HydrophobicContact CB-CB 4.46Å; L169-R173 HydrophobicContact CD1-CB 4.23Å; L169-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 HydrophobicContact CG-CB 4.47Å; L169-R173 PolarHBondContact N-O 3.47Å; L169-L175 HydrophobicContact CD1-CD1 3.82Å; L169-L175 HydrophobicContact CD1-CG 4.36Å; L169-L175 HydrophobicContact CD2-CD1 3.89Å; L169-L175 HydrophobicContact CG-CD1 3.92Å; L169-L175 HydrophobicContact CG-CG 4.3Å; L169-E228 HydrophobicContact CD2-CB 4.01Å; L169-E228 HydrophobicContact CD2-CG 4.29Å; L169-L238 HydrophobicContact CD2-CD1 3.99Å
170Q93.2Very high96.8Very high114 Ų11417 Ų1753%0.5339%0.094SC..THydrogen-bonded Turntrans-58.6-32171.6-169.51705.400111.9G172 E228 L236Q170-G172 PolarHBondContact O-N 3.29Å; Q170-E228 WeakPolarHBondContact CB-OE2 3.17Å; Q170-E228 PolarHBondContact N-OE2 2.73Å; Q170-L236 HydrophobicContact CB-CD1 3.46Å; Q170-L236 VanDerWaalsContact CB-CD1 3.46Å; Q170-L236 HydrophobicContact CG-CD1 4.18Å
171S93.6Very high96.8Very high82 Ų8218.7 Ų18.757%0.57310%0.1SC*.THydrogen-bonded Turntrans-64.4-13.9174.3630000114.5L169 R173L169-S171 WeakPolarHBondContact CB-OG 3.49Å; L169-S171 PolarHBondContact O-N 3.4Å; S171-R173 PolarHBondContact OG-N 2.89Å
172G95.7Very high96.7Very high19 Ų1919.9 Ų19.920%0.19611%0.106CC..SBendtrans95.5-14.8-174.900000113.9Q168 L169 Q170 L174Q168-G172 PolarHBondContact NE2-O 3.43Å; Q168-G172 VanDerWaalsContact NE2-O 3.16Å; L169-G172 PolarHBondContact O-N 3.5Å; Q170-G172 PolarHBondContact O-N 3.29Å; G172-L174 PolarHBondContact O-N 3.25Å
173R97.4Very high97.1Very high33 Ų3320.4 Ų20.413%0.12511%0.109CC..  trans-59129.8176175.7174-73.7-170.2-8.7111.1Q168 L169 S171 L175 S203 D204 S257Q168-R173 WeakPolarHBondContact CA-O 3.3Å; L169-R173 HydrophobicContact CB-CB 4.46Å; L169-R173 HydrophobicContact CD1-CB 4.23Å; L169-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 HydrophobicContact CG-CB 4.47Å; L169-R173 PolarHBondContact N-O 3.47Å; S171-R173 PolarHBondContact OG-N 2.89Å; R173-L175 HydrophobicContact CG-CD2 4.07Å; R173-L175 HydrophobicContact CG-CG 4.28Å; R173-S203 WeakPolarHBondContact CA-O 3.48Å; R173-D204 WeakPolarHBondContact CB-OD1 3.33Å; R173-D204 WeakPolarHBondContact CG-OD1 3.38Å; R173-D204 IonicContact CZ-OD1 2.78Å; R173-D204 IonicContact CZ-OD2 3.32Å; R173-D204 IonicContact NE-OD1 2.84Å; R173-D204 PolarHBondContact NE-OD1 2.7Å; R173-D204 IonicContact NE-OD2 2.9Å; R173-D204 IonicContact NH2-OD1 3.32Å; R173-D204 PolarHBondContact NH2-OD1 2.72Å; R173-D204 IonicContact NH2-OD2 2.86Å; R173-D204 PolarHBondContact NH2-OD2 2.83Å; R173-S257 VanDerWaalsContact CD-O 3.26Å; R173-S257 WeakPolarHBondContact CD-O 3.48Å; R173-S257 PolarHBondContact NH1-O 2.92Å
174L98.1Very high96.7Very high0 Ų024.2 Ų24.20%014%0.136CC..EExtended strand (participates in β ladder)trans-85.3139.2168.6-63.8171.8000109.7V92 E94 Y101 Q168 G172 Y202 S203 W210V92-L174 HydrophobicContact CG2-CD2 4Å; E94-L174 HydrophobicContact CB-CD1 4.35Å; E94-L174 HydrophobicContact CB-CD2 4.08Å; E94-L174 HydrophobicContact CG-CD1 3.93Å; E94-L174 HydrophobicContact CG-CD2 4Å; E94-L174 HydrophobicContact CG-CG 4.34Å; Y101-L174 HydrophobicContact CD2-CD1 4.21Å; Y101-L174 HydrophobicContact CE2-CD1 4.03Å; Q168-L174 HydrophobicContact CB-CD2 3.73Å; Q168-L174 HydrophobicContact CG-CD2 3.71Å; G172-L174 PolarHBondContact O-N 3.25Å; L174-Y202 WeakPolarHBondContact O-CA 3.26Å; L174-Y202 WeakPolarHBondContact O-CB 3.2Å; L174-S203 PolarHBondContact N-O 2.97Å; L174-S203 PolarHBondContact O-N 3.04Å; L174-S203 VanDerWaalsContact O-N 3.1Å; L174-W210 HydrophobicContact CB-CH2 3.78Å; L174-W210 HydrophobicContact CB-CZ3 4.27Å; L174-W210 HydrophobicContact CD1-CH2 4.06Å; L174-W210 HydrophobicContact CD1-CZ2 4.11Å
175L97.7Very high96.1Very high0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-131.2130.8178.1-70.1-177.4000111.5G166 I167 L169 R173 M200 F201 L238G166-L175 CarbonylContact C-O 3.56Å; G166-L175 WeakPolarHBondContact CA-O 3.3Å; I167-L175 HydrophobicContact CG1-CB 4.08Å; I167-L175 HydrophobicContact CG1-CD1 4.46Å; I167-L175 PolarHBondContact N-O 2.98Å; I167-L175 PolarHBondContact O-N 2.94Å; L169-L175 HydrophobicContact CD1-CD1 3.82Å; L169-L175 HydrophobicContact CD1-CG 4.36Å; L169-L175 HydrophobicContact CD2-CD1 3.89Å; L169-L175 HydrophobicContact CG-CD1 3.92Å; L169-L175 HydrophobicContact CG-CG 4.3Å; R173-L175 HydrophobicContact CG-CD2 4.07Å; R173-L175 HydrophobicContact CG-CG 4.28Å; L175-M200 HydrophobicContact CD2-CB 4.21Å; L175-F201 WeakPolarHBondContact CA-O 3.39Å; L175-L238 HydrophobicContact CD1-CD1 3.9Å; L175-L238 HydrophobicContact CD1-CD2 3.42Å; L175-L238 VanDerWaalsContact CD1-CD2 3.42Å; L175-L238 HydrophobicContact CD1-CG 4.31Å
176I98.3Very high95.5Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-116.5113.4172.8-51.2-59.9000108C90 V92 F103 V161 M200 F201 W210C90-I176 HydrophobicContact CB-CG2 4.46Å; V92-I176 HydrophobicContact CB-CD1 4.03Å; V92-I176 HydrophobicContact CG1-CD1 3.59Å; F103-I176 HydrophobicContact CB-CG2 4.01Å; F103-I176 HydrophobicContact CD1-CG1 4.15Å; F103-I176 HydrophobicContact CD1-CG2 4.32Å; F103-I176 HydrophobicContact CD2-CD1 3.34Å; F103-I176 HydrophobicContact CD2-CG1 3.59Å; F103-I176 HydrophobicContact CD2-CG2 4.46Å; F103-I176 HydrophobicContact CE1-CG1 4.19Å; F103-I176 HydrophobicContact CE2-CD1 3.61Å; F103-I176 HydrophobicContact CE2-CG1 3.66Å; F103-I176 HydrophobicContact CG-CD1 3.99Å; F103-I176 HydrophobicContact CG-CG1 3.87Å; F103-I176 HydrophobicContact CG-CG2 4Å; F103-I176 HydrophobicContact CZ-CD1 4.43Å; F103-I176 HydrophobicContact CZ-CG1 3.98Å; V161-I176 HydrophobicContact CB-CG2 4.03Å; V161-I176 HydrophobicContact CG1-CG2 4Å; I176-M200 WeakPolarHBondContact O-CA 3.46Å; I176-F201 HydrophobicContact CB-CB 4.27Å; I176-F201 PolarHBondContact N-O 2.78Å; I176-F201 PolarHBondContact O-N 3.44Å; I176-W210 HydrophobicContact CD1-CH2 4.39Å; I176-W210 HydrophobicContact CG1-CH2 4.01Å; I176-W210 HydrophobicContact CG1-CZ3 3.68Å
177P98.2Very high94.6Very high0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-63.4142.3174.425.2-30.8000110.6V161 G162 H165 M200 C224V161-P177 CarbonylContact C-O 3.52Å; G162-P177 PolarHBondContact N-O 3.3Å; H165-P177 WeakPolarHBondContact O-CD 3.37Å; H165-P177 WeakPolarHBondContact O-CG 3.45Å; P177-M200 HydrophobicContact CB-SD 4.07Å; P177-C224 WeakPolarHBondContact CB-O 3.43Å
178A98.2Very high94Very high1 Ų144 Ų441%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-153.6171.6-178.600000111.4A160 V161 S198 L199 F201A160-A178 WeakPolarHBondContact O-CA 3.25Å; A160-A178 WeakPolarHBondContact O-CB 3.43Å; V161-A178 HydrophobicContact CG1-CB 4.42Å; A178-S198 CarbonylContact O-C 3.06Å; A178-S198 VanDerWaalsContact O-CA 3.25Å; A178-S198 WeakPolarHBondContact O-CA 3.37Å; A178-L199 CarbonylContact C-O 3.44Å; A178-L199 HydrophobicContact CB-CD1 4.11Å; A178-L199 HydrophobicContact CB-CG 4.09Å; A178-L199 PolarHBondContact N-O 3.3Å; A178-L199 PolarHBondContact O-N 2.94Å; A178-F201 HydrophobicContact CB-CD2 3.7Å; A178-F201 HydrophobicContact CB-CE2 3.49Å; A178-F201 VanDerWaalsContact CB-CE2 3.49Å; A178-F201 HydrophobicContact CB-CZ 4.37Å
179Y98.1Very high93.2Very high24 Ų2447 Ų479%0.09425%0.253CS..EExtended strand (participates in β ladder)trans-149.6150.1169.465-84.4000111F159 A160 Y181 H197 E223F159-Y179 CarbonylContact C-O 3.51Å; F159-Y179 VanDerWaalsContact CA-O 3.22Å; F159-Y179 WeakPolarHBondContact CA-O 3.38Å; F159-Y179 WeakPolarHBondContact CB-O 3.34Å; A160-Y179 HydrophobicContact CB-CD1 4.49Å; A160-Y179 HydrophobicContact CB-CE1 3.69Å; A160-Y179 HydrophobicContact CB-CE2 4.4Å; A160-Y179 PolarHBondContact N-O 2.89Å; A160-Y179 PolarHBondContact O-N 2.87Å; Y179-Y181 HydrophobicContact CD2-CD2 4.46Å; Y179-Y181 HydrophobicContact CD2-CE2 4.22Å; Y179-Y181 HydrophobicContact CE2-CD2 4.3Å; Y179-Y181 AromaticContact CE2-CE2 3.72Å; Y179-Y181 HydrophobicContact CE2-CE2 3.72Å; Y179-H197 WeakPolarHBondContact CA-O 3.23Å; Y179-E223 HydrophobicContact CD1-CG 4.32Å; Y179-E223 HydrophobicContact CE1-CB 4.37Å; Y179-E223 HydrophobicContact CE1-CG 3.61Å
180A98Very high92.6Very high0 Ų051.2 Ų51.20%027%0.271CS..EExtended strand (participates in β ladder)trans-131.3145.3175.100000111.9W156 F159 L182 P196 H197 L199 F215W156-A180 HydrophobicContact CD2-CB 3.48Å; W156-A180 VanDerWaalsContact CD2-CB 3.48Å; W156-A180 HydrophobicContact CE3-CB 3.46Å; W156-A180 VanDerWaalsContact CE3-CB 3.46Å; W156-A180 HydrophobicContact CG-CB 3.99Å; W156-A180 HydrophobicContact CH2-CB 4.19Å; W156-A180 HydrophobicContact CZ2-CB 4.25Å; W156-A180 HydrophobicContact CZ3-CB 3.82Å; F159-A180 HydrophobicContact CB-CB 3.77Å; A180-L182 HydrophobicContact CB-CD2 4.22Å; A180-L182 PolarHBondContact O-N 3.19Å; A180-P196 CarbonylContact O-C 3.54Å; A180-P196 VanDerWaalsContact O-CA 3.31Å; A180-P196 WeakPolarHBondContact O-CA 3.45Å; A180-H197 PolarHBondContact N-O 3.45Å; A180-H197 PolarHBondContact O-N 3.38Å; A180-L199 HydrophobicContact CB-CD2 4.03Å; A180-F215 HydrophobicContact CB-CE1 3.98Å
181Y97.6Very high92.2Very high39 Ų3946.7 Ų46.715%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-87.6101.6174.2-76.7-90.7000110.3E113 L117 W156 A157 T158 Y179 V194 P196E113-Y181 VanDerWaalsContact CD-OH 3.3Å; E113-Y181 HydrophobicContact CG-CE2 4.31Å; E113-Y181 PolarHBondContact OE1-OH 3.36Å; E113-Y181 WeakPolarHBondContact OE2-CE2 3.1Å; E113-Y181 VanDerWaalsContact OE2-CZ 3.31Å; E113-Y181 PolarHBondContact OE2-OH 3.44Å; L117-Y181 HydrophobicContact CD1-CD1 4.39Å; L117-Y181 HydrophobicContact CD1-CE1 4.13Å; L117-Y181 HydrophobicContact CD2-CD1 3.4Å; L117-Y181 HydrophobicContact CD2-CD2 4.02Å; L117-Y181 HydrophobicContact CD2-CE1 3.95Å; L117-Y181 HydrophobicContact CD2-CE2 4.44Å; L117-Y181 HydrophobicContact CD2-CG 3.43Å; L117-Y181 VanDerWaalsContact CD2-CG 3.43Å; W156-Y181 CarbonylContact C-O 3.52Å; W156-Y181 WeakPolarHBondContact CA-O 3.13Å; A157-Y181 PolarHBondContact N-O 2.99Å; T158-Y181 HydrophobicContact CG2-CD2 3.4Å; T158-Y181 VanDerWaalsContact CG2-CD2 3.4Å; T158-Y181 HydrophobicContact CG2-CE2 3.9Å; T158-Y181 HydrophobicContact CG2-CG 4.13Å; T158-Y181 PolarHBondContact O-N 2.88Å; Y179-Y181 HydrophobicContact CD2-CD2 4.46Å; Y179-Y181 HydrophobicContact CD2-CE2 4.22Å; Y179-Y181 HydrophobicContact CE2-CD2 4.3Å; Y179-Y181 AromaticContact CE2-CE2 3.72Å; Y179-Y181 HydrophobicContact CE2-CE2 3.72Å; Y181-V194 HydrophobicContact CD1-CG1 4.18Å; Y181-V194 HydrophobicContact CG-CG1 4.37Å; Y181-P196 HydrophobicContact CD1-CB 3.72Å; Y181-P196 HydrophobicContact CD1-CG 4.01Å; Y181-P196 HydrophobicContact CE1-CB 3.7Å; Y181-P196 HydrophobicContact CE1-CG 3.71Å; Y181-P196 HydrophobicContact CG-CB 4.16Å
182L96.5Very high91.9Very high24 Ų2446.3 Ų46.313%0.12625%0.248CC..EExtended strand (participates in β ladder)trans-83.2129-173.9-56.6-174.9000112.2W156 A180 V194 K195 H197 F215W156-L182 VanDerWaalsContact CD1-CD2 3.49Å; W156-L182 HydrophobicContact CG-CD2 4.21Å; A180-L182 HydrophobicContact CB-CD2 4.22Å; A180-L182 PolarHBondContact O-N 3.19Å; L182-V194 VanDerWaalsContact O-CA 3.28Å; L182-V194 WeakPolarHBondContact O-CA 3.14Å; L182-K195 PolarHBondContact N-O 2.74Å; L182-K195 PolarHBondContact O-N 2.84Å; L182-H197 HydrophobicContact CD1-CB 4.32Å; L182-F215 HydrophobicContact CD1-CD1 3.94Å; L182-F215 HydrophobicContact CD1-CD2 3.93Å; L182-F215 HydrophobicContact CD1-CE1 3.98Å; L182-F215 HydrophobicContact CD1-CE2 4Å; L182-F215 HydrophobicContact CD1-CG 3.91Å; L182-F215 HydrophobicContact CD1-CZ 4.03Å; L182-F215 HydrophobicContact CD2-CD1 4.46Å; L182-F215 HydrophobicContact CD2-CE1 3.68Å; L182-F215 HydrophobicContact CD2-CE2 4.04Å; L182-F215 HydrophobicContact CD2-CZ 3.46Å; L182-F215 VanDerWaalsContact CD2-CZ 3.46Å; L182-F215 HydrophobicContact CG-CD1 4.49Å; L182-F215 HydrophobicContact CG-CE1 4.15Å; L182-F215 HydrophobicContact CG-CZ 4.26Å
183I94.9Very high91.7Very high12 Ų1247 Ų476%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-85109.8173.4-56.2168.1000108.1H155 A157 W186 P191 V194H155-I183 PolarHBondContact O-N 3.02Å; A157-I183 HydrophobicContact CB-CD1 4.16Å; A157-I183 HydrophobicContact CB-CG1 3.97Å; I183-W186 HydrophobicContact CD1-CH2 4.24Å; I183-W186 HydrophobicContact CD1-CZ2 3.67Å; I183-W186 HydrophobicContact CG2-CD2 4.38Å; I183-W186 HydrophobicContact CG2-CZ2 4.23Å; I183-P191 HydrophobicContact CG1-CB 4.39Å; I183-P191 HydrophobicContact CG2-CB 3.72Å; I183-V194 HydrophobicContact CG1-CG2 4.24Å
184S88.3Confident91.6Very high82 Ų8247.3 Ų47.357%0.57326%0.255SS*.EExtended strand (participates in β ladder)trans-82.4-30.6-176.359.40000113.7S193S184-S193 PolarHBondContact N-O 2.85Å; S184-S193 WeakPolarHBondContact OG-CB 3.48Å; S184-S193 PolarHBondContact OG-O 2.85Å; S184-S193 PolarHBondContact OG-OG 2.98Å; S184-S193 VanDerWaalsContact OG-OG 3.07Å
185C86.6Confident91.4Very high60 Ų6052.4 Ų52.441%0.40528%0.278SS..EExtended strand (participates in β ladder)trans-161.5158.4176.951.80000111C192C185-C192 PolarHBondContact O-N 3.03Å; C185-C192 WeakPolarHBondContact SG-CB 3.42Å
186W85.4Confident91.4Very high113 Ų11353.5 Ų53.543%0.42829%0.285SS..EExtended strand (participates in β ladder)trans-111.5138.5178.6-68.785.2000110I183 F190 C192I183-W186 HydrophobicContact CD1-CH2 4.24Å; I183-W186 HydrophobicContact CD1-CZ2 3.67Å; I183-W186 HydrophobicContact CG2-CD2 4.38Å; I183-W186 HydrophobicContact CG2-CZ2 4.23Å; W186-F190 WeakPolarHBondContact CA-O 3.15Å; W186-C192 VanDerWaalsContact C-SG 3.5Å
187F80.5Confident91.4Very high145 Ų14554.2 Ų54.264%0.63629%0.288SS*.EExtended strand (participates in β ladder)trans-120114.9165.4178.8-99.7000107.8C189 F190 C192F187-C189 PolarHBondContact O-N 2.65Å; F187-F190 PolarHBondContact N-O 2.58Å; F187-F190 PolarHBondContact O-N 2.67Å; F187-C192 WeakPolarHBondContact CB-SG 3.26Å; F187-C192 PolarHBondContact N-SG 2.85Å
188L84.4Confident91.3Very high142 Ų14254.2 Ų54.274%0.74329%0.288SS*.THydrogen-bonded Turntrans51.7-122.2-165.9-60.8166.2000109.8
189C80.6Confident91.2Very high95 Ų9554.2 Ų54.264%0.64229%0.288SS*.THydrogen-bonded Turntrans-99.516.1180-570000113.5F187F187-C189 PolarHBondContact O-N 2.65Å
190F82.5Confident91.2Very high90 Ų9053 Ų5340%0.39528%0.283SS..EExtended strand (participates in β ladder)trans-121.8143.6-176.9-62.4-90.4000111.7W119 W186 F187W119-F190 HydrophobicContact CD2-CE1 4.33Å; W119-F190 AromaticContact CE3-CD1 3.96Å; W119-F190 HydrophobicContact CE3-CD1 3.96Å; W119-F190 AromaticContact CE3-CE1 3.44Å; W119-F190 HydrophobicContact CE3-CE1 3.44Å; W119-F190 VanDerWaalsContact CE3-CE1 3.44Å; W119-F190 HydrophobicContact CE3-CZ 4.17Å; W119-F190 AromaticContact CH2-CE1 3.56Å; W119-F190 HydrophobicContact CH2-CE1 3.56Å; W119-F190 AromaticContact CH2-CZ 3.9Å; W119-F190 HydrophobicContact CH2-CZ 3.9Å; W119-F190 HydrophobicContact CZ2-CE1 4.41Å; W119-F190 AromaticContact CZ3-CD1 3.98Å; W119-F190 HydrophobicContact CZ3-CD1 3.98Å; W119-F190 AromaticContact CZ3-CE1 3.01Å; W119-F190 HydrophobicContact CZ3-CE1 3.01Å; W119-F190 AromaticContact CZ3-CZ 3.38Å; W119-F190 HydrophobicContact CZ3-CZ 3.38Å; W186-F190 WeakPolarHBondContact CA-O 3.15Å; F187-F190 PolarHBondContact N-O 2.58Å; F187-F190 PolarHBondContact O-N 2.67Å
191P86.2Confident91.2Very high20 Ų2053.1 Ų53.113%0.1328%0.283CS..EExtended strand (participates in β ladder)trans-72.5130.2173.131-34.7000110.7L117 L118 I183 V194L117-P191 VanDerWaalsContact O-CG 3.31Å; L117-P191 WeakPolarHBondContact O-CG 3.2Å; L118-P191 WeakPolarHBondContact O-CD 3.23Å; I183-P191 HydrophobicContact CG1-CB 4.39Å; I183-P191 HydrophobicContact CG2-CB 3.72Å; P191-V194 HydrophobicContact CB-CG2 3.6Å; P191-V194 HydrophobicContact CG-CG2 3.87Å
192C86.6Confident91.2Very high73 Ų7352.9 Ų52.949%0.49328%0.283SS..EExtended strand (participates in β ladder)trans-78.4-30.3177.7-49.30000112.7C185 W186 F187C185-C192 PolarHBondContact O-N 3.03Å; C185-C192 WeakPolarHBondContact SG-CB 3.42Å; W186-C192 VanDerWaalsContact C-SG 3.5Å; F187-C192 WeakPolarHBondContact CB-SG 3.26Å; F187-C192 PolarHBondContact N-SG 2.85Å
193S91.3Very high91.2Very high34 Ų3451.7 Ų51.724%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-153.8126.1-177154.80000108.9S184S184-S193 PolarHBondContact N-O 2.85Å; S184-S193 WeakPolarHBondContact OG-CB 3.48Å; S184-S193 PolarHBondContact OG-O 2.85Å; S184-S193 PolarHBondContact OG-OG 2.98Å; S184-S193 VanDerWaalsContact OG-OG 3.07Å
194V94.7Very high91.3Very high39 Ų3955.3 Ų55.324%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-124.6123.3177.3-174.80000108L117 A157 Y181 L182 I183 P191L117-V194 HydrophobicContact CD2-CG1 3.63Å; A157-V194 HydrophobicContact CB-CG1 3.72Å; A157-V194 HydrophobicContact CB-CG2 4.46Å; Y181-V194 HydrophobicContact CD1-CG1 4.18Å; Y181-V194 HydrophobicContact CG-CG1 4.37Å; L182-V194 VanDerWaalsContact O-CA 3.28Å; L182-V194 WeakPolarHBondContact O-CA 3.14Å; I183-V194 HydrophobicContact CG1-CG2 4.24Å; P191-V194 HydrophobicContact CB-CG2 3.6Å; P191-V194 HydrophobicContact CG-CG2 3.87Å
195K95.5Very high91.7Very high108 Ų10854.1 Ų54.147%0.4728%0.283SS..EExtended strand (participates in β ladder)trans-133.9130.8-176.4-67-178.2-177.2176.50111.2L182 V220L182-K195 PolarHBondContact N-O 2.74Å; L182-K195 PolarHBondContact O-N 2.84Å; K195-V220 HydrophobicContact CB-CG2 4.25Å; K195-V220 HydrophobicContact CD-CG2 4.15Å; K195-V220 HydrophobicContact CG-CG2 4.41Å
196P96.9Very high92.2Very high23 Ų2354.4 Ų54.415%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-74.8140.417729.1-31.7000111.6A180 Y181 V220 T221A180-P196 CarbonylContact O-C 3.54Å; A180-P196 VanDerWaalsContact O-CA 3.31Å; A180-P196 WeakPolarHBondContact O-CA 3.45Å; Y181-P196 HydrophobicContact CD1-CB 3.72Å; Y181-P196 HydrophobicContact CD1-CG 4.01Å; Y181-P196 HydrophobicContact CE1-CB 3.7Å; Y181-P196 HydrophobicContact CE1-CG 3.71Å; Y181-P196 HydrophobicContact CG-CB 4.16Å; P196-V220 HydrophobicContact CG-CG1 3.53Å; P196-V220 WeakPolarHBondContact O-CG1 3.49Å; P196-T221 CarbonylContact C-O 3.52Å; P196-T221 WeakPolarHBondContact CB-O 3.46Å; P196-T221 PolarHBondContact O-N 3.18Å; P196-T221 VanDerWaalsContact O-N 3.11Å; P196-T221 VanDerWaalsContact O-O 3.1Å
197H97.4Very high92.7Very high15 Ų1549.2 Ų49.27%0.06926%0.262CS..EExtended strand (participates in β ladder)trans-137.5131.7169-70.4-81.2000109.6Y179 A180 L182 F215 I216 Q219 T221Y179-H197 WeakPolarHBondContact CA-O 3.23Å; A180-H197 PolarHBondContact N-O 3.45Å; A180-H197 PolarHBondContact O-N 3.38Å; L182-H197 HydrophobicContact CD1-CB 4.32Å; H197-F215 HydrophobicContact CB-CB 4.06Å; H197-F215 HydrophobicContact CB-CD1 3.67Å; H197-F215 HydrophobicContact CB-CG 4.2Å; H197-I216 PolarHBondContact ND1-O 3.34Å; H197-Q219 PolarHBondContact CE1-O 2.82Å; H197-Q219 VanDerWaalsContact CE1-O 3.26Å; H197-Q219 PolarHBondContact ND1-O 3.36Å; H197-Q219 VanDerWaalsContact ND1-O 3.12Å; H197-T221 CarbonylContact C-O 3.56Å; H197-T221 VanDerWaalsContact CA-O 3.24Å; H197-T221 WeakPolarHBondContact CA-O 3.45Å; H197-T221 PolarHBondContact N-O 2.51Å
198S97.5Very high93.4Very high0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-67.4152.6171.7-44.30000110.9A178 F215 I216 T221 G222A178-S198 CarbonylContact O-C 3.06Å; A178-S198 VanDerWaalsContact O-CA 3.25Å; A178-S198 WeakPolarHBondContact O-CA 3.37Å; S198-F215 WeakPolarHBondContact O-CA 3.39Å; S198-I216 WeakPolarHBondContact O-CG1 3.22Å; S198-I216 PolarHBondContact O-N 2.91Å; S198-T221 WeakPolarHBondContact CB-OG1 3.49Å; S198-T221 PolarHBondContact N-O 3.25Å; S198-T221 PolarHBondContact N-OG1 3.32Å; S198-T221 WeakPolarHBondContact OG-CB 3.35Å; S198-T221 PolarHBondContact OG-OG1 3.25Å; S198-G222 PolarHBondContact OG-O 3.1Å
199L96.7Very high94Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-155.1175.8176.267.8108000108.8W156 A178 A180 F201 F215W156-L199 HydrophobicContact CH2-CD2 3.93Å; W156-L199 HydrophobicContact CZ2-CD2 4.3Å; A178-L199 CarbonylContact C-O 3.44Å; A178-L199 HydrophobicContact CB-CD1 4.11Å; A178-L199 HydrophobicContact CB-CG 4.09Å; A178-L199 PolarHBondContact N-O 3.3Å; A178-L199 PolarHBondContact O-N 2.94Å; A180-L199 HydrophobicContact CB-CD2 4.03Å; L199-F201 HydrophobicContact CD1-CD1 4.04Å; L199-F201 HydrophobicContact CD1-CE1 3.79Å; L199-F201 HydrophobicContact CD1-CE2 4.32Å; L199-F201 HydrophobicContact CD1-CG 4.4Å; L199-F201 HydrophobicContact CD1-CZ 3.95Å; L199-F215 HydrophobicContact CB-CD1 4.13Å; L199-F215 HydrophobicContact CB-CE1 4.34Å; L199-F215 HydrophobicContact CD2-CD1 3.86Å; L199-F215 HydrophobicContact CD2-CE1 3.28Å; L199-F215 HydrophobicContact CD2-CZ 4.03Å; L199-F215 HydrophobicContact CG-CE1 4.42Å
200M97.1Very high94.8Very high0 Ų038.8 Ų38.80%021%0.212CC..EExtended strand (participates in β ladder)trans-122.8133.6173.8-50.3-56.3151.100109.7L175 I176 P177 G213 I216 V226 C240 F261L175-M200 HydrophobicContact CD2-CB 4.21Å; I176-M200 WeakPolarHBondContact O-CA 3.46Å; P177-M200 HydrophobicContact CB-SD 4.07Å; M200-G213 WeakPolarHBondContact O-CA 3.45Å; M200-G213 PolarHBondContact O-N 3.1Å; M200-I216 HydrophobicContact CE-CD1 3.91Å; M200-V226 HydrophobicContact CE-CG1 3.51Å; M200-V226 HydrophobicContact SD-CG1 3.72Å; M200-C240 HydrophobicContact CE-CB 4.38Å; M200-F261 HydrophobicContact CE-CE2 3.89Å; M200-F261 HydrophobicContact CE-CZ 3.72Å; M200-F261 HydrophobicContact CG-CE2 3.75Å; M200-F261 HydrophobicContact CG-CZ 4.04Å
201F97.3Very high95.4Very high1 Ų138.4 Ų38.40%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-85.8143.4159.1-59.4-64.1000108.6L126 V148 V149 W156 V161 L175 I176 A178 L199 W210 H211 C212L126-F201 HydrophobicContact CD1-CD2 4.25Å; L126-F201 HydrophobicContact CD1-CE2 3.97Å; L126-F201 HydrophobicContact CD2-CD1 4.3Å; L126-F201 HydrophobicContact CD2-CD2 4.08Å; L126-F201 HydrophobicContact CD2-CE1 4.13Å; L126-F201 HydrophobicContact CD2-CE2 3.89Å; L126-F201 HydrophobicContact CD2-CG 4.28Å; L126-F201 HydrophobicContact CD2-CZ 3.92Å; V148-F201 HydrophobicContact CG1-CD1 3.42Å; V148-F201 VanDerWaalsContact CG1-CD1 3.42Å; V148-F201 HydrophobicContact CG1-CE1 3.68Å; V148-F201 HydrophobicContact CG1-CG 4.37Å; V149-F201 HydrophobicContact CG2-CE1 4.12Å; V149-F201 HydrophobicContact CG2-CZ 4.23Å; W156-F201 HydrophobicContact CH2-CE1 4.32Å; W156-F201 HydrophobicContact CH2-CZ 4.23Å; W156-F201 HydrophobicContact CZ3-CZ 4.25Å; V161-F201 HydrophobicContact CG1-CD2 4.1Å; V161-F201 HydrophobicContact CG1-CE2 4.01Å; L175-F201 WeakPolarHBondContact CA-O 3.39Å; I176-F201 HydrophobicContact CB-CB 4.27Å; I176-F201 PolarHBondContact N-O 2.78Å; I176-F201 PolarHBondContact O-N 3.44Å; A178-F201 HydrophobicContact CB-CD2 3.7Å; A178-F201 HydrophobicContact CB-CE2 3.49Å; A178-F201 VanDerWaalsContact CB-CE2 3.49Å; A178-F201 HydrophobicContact CB-CZ 4.37Å; L199-F201 HydrophobicContact CD1-CD1 4.04Å; L199-F201 HydrophobicContact CD1-CE1 3.79Å; L199-F201 HydrophobicContact CD1-CE2 4.32Å; L199-F201 HydrophobicContact CD1-CG 4.4Å; L199-F201 HydrophobicContact CD1-CZ 3.95Å; F201-W210 HydrophobicContact CB-CE3 4.46Å; F201-H211 CarbonylContact C-O 3.47Å; F201-H211 VanDerWaalsContact CA-O 3.27Å; F201-H211 WeakPolarHBondContact CA-O 3.27Å; F201-C212 HydrophobicContact CD1-CB 4.21Å; F201-C212 HydrophobicContact CE1-CB 4.13Å
202Y97.4Very high95.8Very high34 Ų3439.5 Ų39.513%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-143.5157.1-176.569.5-91.6000113.4L174 W210 H211L174-Y202 WeakPolarHBondContact O-CA 3.26Å; L174-Y202 WeakPolarHBondContact O-CB 3.2Å; Y202-W210 VanDerWaalsContact C-CE3 3.48Å; Y202-W210 CarbonylContact O-C 3.56Å; Y202-W210 WeakPolarHBondContact O-CA 3.24Å; Y202-H211 HydrophobicContact CD1-CB 4.03Å; Y202-H211 HydrophobicContact CD2-CB 4.1Å; Y202-H211 HydrophobicContact CE1-CB 3.56Å; Y202-H211 HydrophobicContact CE2-CB 3.63Å; Y202-H211 AromaticContact CE2-CD2 3.67Å; Y202-H211 AromaticContact CE2-CG 3.98Å; Y202-H211 HydrophobicContact CG-CB 4.28Å; Y202-H211 PolarHBondContact N-O 2.84Å; Y202-H211 PolarHBondContact O-N 2.95Å
203S97.8Very high96.2Very high0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-138.6134.1172.2174.50000109.9R173 L174 D205 G207 T209R173-S203 WeakPolarHBondContact CA-O 3.48Å; L174-S203 PolarHBondContact N-O 2.97Å; L174-S203 PolarHBondContact O-N 3.04Å; L174-S203 VanDerWaalsContact O-N 3.1Å; S203-D205 PolarHBondContact OG-OD1 3Å; S203-G207 WeakPolarHBondContact OG-CA 3.47Å; S203-G207 PolarHBondContact OG-N 3.01Å; S203-T209 WeakPolarHBondContact CB-O 3.29Å; S203-T209 PolarHBondContact OG-O 3.31Å
204D97.1Very high96.4Very high88 Ų8840.1 Ų40.147%0.47121%0.21SC..SBendtrans-106.1-1.7178.9-71.4-44.2000113R173R173-D204 WeakPolarHBondContact CB-OD1 3.33Å; R173-D204 WeakPolarHBondContact CG-OD1 3.38Å; R173-D204 IonicContact CZ-OD1 2.78Å; R173-D204 IonicContact CZ-OD2 3.32Å; R173-D204 IonicContact NE-OD1 2.84Å; R173-D204 PolarHBondContact NE-OD1 2.7Å; R173-D204 IonicContact NE-OD2 2.9Å; R173-D204 IonicContact NH2-OD1 3.32Å; R173-D204 PolarHBondContact NH2-OD1 2.72Å; R173-D204 IonicContact NH2-OD2 2.86Å; R173-D204 PolarHBondContact NH2-OD2 2.83Å
205D97Very high96.4Very high57 Ų5740.4 Ų40.431%0.30521%0.209SC..SBendtrans-124.438-172.663.33.4000112.1S203 G207 V208 T209S203-D205 PolarHBondContact OG-OD1 3Å; D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.82Å; D205-V208 HydrophobicContact CB-CB 4.41Å; D205-V208 VanDerWaalsContact O-CG2 3.29Å; D205-V208 WeakPolarHBondContact O-CG2 3.27Å; D205-V208 PolarHBondContact O-N 2.83Å; D205-V208 PolarHBondContact OD1-N 3.34Å; D205-T209 VanDerWaalsContact CG-N 3.35Å; D205-T209 PolarHBondContact OD1-N 3.4Å; D205-T209 WeakPolarHBondContact OD2-CB 2.98Å; D205-T209 WeakPolarHBondContact OD2-CG2 3.32Å; D205-T209 PolarHBondContact OD2-N 2.85Å; D205-T209 VanDerWaalsContact OD2-N 3.09Å; D205-T209 PolarHBondContact OD2-OG1 3.38Å
206L95.6Very high96.4Very high65 Ų6535.3 Ų35.334%0.3419%0.187SC..THydrogen-bonded Turntrans63.827.9177.1-49175.1000113.9N96 T97 Y101N96-L206 HydrophobicContact CB-CD2 4.25Å; T97-L206 HydrophobicContact CG2-CD1 4.25Å; Y101-L206 PolarHBondContact OH-O 2.58Å
207G95.8Very high96.3Very high5 Ų539.3 Ų39.35%0.05220%0.202CC..THydrogen-bonded Turntrans89.815.6177.700000114.6S203 D205 W210S203-G207 WeakPolarHBondContact OG-CA 3.47Å; S203-G207 PolarHBondContact OG-N 3.01Å; D205-G207 VanDerWaalsContact C-N 3.27Å; D205-G207 PolarHBondContact O-N 2.82Å; G207-W210 PolarHBondContact O-NE1 2.8Å
208V95.7Very high96.1Very high105 Ų10543.1 Ų43.164%0.63623%0.228SC*.SBendtrans-77.4-46.1178.3174.60000110.9D205D205-V208 HydrophobicContact CB-CB 4.41Å; D205-V208 VanDerWaalsContact O-CG2 3.29Å; D205-V208 WeakPolarHBondContact O-CG2 3.27Å; D205-V208 PolarHBondContact O-N 2.83Å; D205-V208 PolarHBondContact OD1-N 3.34Å
209T96.8Very high95.8Very high52 Ų5244.9 Ų44.932%0.31924%0.236SC..SBendtrans-123149.5172.463.90000110.7S203 D205S203-T209 WeakPolarHBondContact CB-O 3.29Å; S203-T209 PolarHBondContact OG-O 3.31Å; D205-T209 VanDerWaalsContact CG-N 3.35Å; D205-T209 PolarHBondContact OD1-N 3.4Å; D205-T209 WeakPolarHBondContact OD2-CB 2.98Å; D205-T209 WeakPolarHBondContact OD2-CG2 3.32Å; D205-T209 PolarHBondContact OD2-N 2.85Å; D205-T209 VanDerWaalsContact OD2-N 3.09Å; D205-T209 PolarHBondContact OD2-OG1 3.38Å
210W97.3Very high95.8Very high5 Ų546.7 Ų46.72%0.01925%0.247CC..  trans-126145.6-178.4-7185.3000111.4F103 L144 V148 L174 I176 F201 Y202 G207F103-W210 HydrophobicContact CE1-CD2 4.35Å; F103-W210 HydrophobicContact CE1-CE3 4.37Å; F103-W210 HydrophobicContact CE1-CH2 4.49Å; F103-W210 HydrophobicContact CE1-CZ3 4.44Å; F103-W210 AromaticContact CE2-CH2 3.56Å; F103-W210 HydrophobicContact CE2-CH2 3.56Å; F103-W210 AromaticContact CE2-CZ2 3.67Å; F103-W210 HydrophobicContact CE2-CZ2 3.67Å; F103-W210 HydrophobicContact CE2-CZ3 4.18Å; F103-W210 AromaticContact CZ-CD2 3.84Å; F103-W210 HydrophobicContact CZ-CD2 3.84Å; F103-W210 AromaticContact CZ-CE2 3.52Å; F103-W210 AromaticContact CZ-CE3 3.93Å; F103-W210 HydrophobicContact CZ-CE3 3.93Å; F103-W210 AromaticContact CZ-CH2 3.41Å; F103-W210 HydrophobicContact CZ-CH2 3.41Å; F103-W210 VanDerWaalsContact CZ-CH2 3.41Å; F103-W210 AromaticContact CZ-CZ2 3.32Å; F103-W210 HydrophobicContact CZ-CZ2 3.32Å; F103-W210 AromaticContact CZ-CZ3 3.73Å; F103-W210 HydrophobicContact CZ-CZ3 3.73Å; L144-W210 HydrophobicContact CD1-CB 4.13Å; L144-W210 HydrophobicContact CD1-CD2 4.46Å; L144-W210 HydrophobicContact CD1-CG 3.84Å; V148-W210 HydrophobicContact CG2-CB 3.46Å; V148-W210 VanDerWaalsContact CG2-CB 3.46Å; L174-W210 HydrophobicContact CB-CH2 3.78Å; L174-W210 HydrophobicContact CB-CZ3 4.27Å; L174-W210 HydrophobicContact CD1-CH2 4.06Å; L174-W210 HydrophobicContact CD1-CZ2 4.11Å; I176-W210 HydrophobicContact CD1-CH2 4.39Å; I176-W210 HydrophobicContact CG1-CH2 4.01Å; I176-W210 HydrophobicContact CG1-CZ3 3.68Å; F201-W210 HydrophobicContact CB-CE3 4.46Å; Y202-W210 VanDerWaalsContact C-CE3 3.48Å; Y202-W210 CarbonylContact O-C 3.56Å; Y202-W210 WeakPolarHBondContact O-CA 3.24Å; G207-W210 PolarHBondContact O-NE1 2.8Å
211H95.7Very high95.8Very high83 Ų8346.7 Ų46.738%0.38425%0.247SC..EExtended strand (participates in β ladder)trans-131.2151.6-176.4-61-62.3000111.4F201 Y202F201-H211 CarbonylContact C-O 3.47Å; F201-H211 VanDerWaalsContact CA-O 3.27Å; F201-H211 WeakPolarHBondContact CA-O 3.27Å; Y202-H211 HydrophobicContact CD1-CB 4.03Å; Y202-H211 HydrophobicContact CD2-CB 4.1Å; Y202-H211 HydrophobicContact CE1-CB 3.56Å; Y202-H211 HydrophobicContact CE2-CB 3.63Å; Y202-H211 AromaticContact CE2-CD2 3.67Å; Y202-H211 AromaticContact CE2-CG 3.98Å; Y202-H211 HydrophobicContact CG-CB 4.28Å; Y202-H211 PolarHBondContact N-O 2.84Å; Y202-H211 PolarHBondContact O-N 2.95Å
212C94.8Very high95.7Very high43 Ų4347.2 Ų47.229%0.29125%0.253SS..EExtended strand (participates in β ladder)trans-94.4116.1173.6-176.50000110.1V148 F201V148-C212 HydrophobicContact CG1-CB 4.37Å; F201-C212 HydrophobicContact CD1-CB 4.21Å; F201-C212 HydrophobicContact CE1-CB 4.13Å
213G93.9Very high95.8Very high4 Ų446.3 Ų46.34%0.04125%0.25CC..  trans-71.2174.6172.400000112.9M200M200-G213 WeakPolarHBondContact O-CA 3.45Å; M200-G213 PolarHBondContact O-N 3.1Å
214K95.4Very high95.8Very high115 Ų11546.3 Ų46.350%0.525%0.25SC..  trans-77151-179.1-57.8-179.4-164.5152.50111.6D259 C260K214-D259 VanDerWaalsContact CB-O 3.28Å; K214-D259 WeakPolarHBondContact CB-O 3.5Å; K214-D259 WeakPolarHBondContact CG-O 3.4Å; K214-D259 PolarHBondContact N-O 2.8Å; K214-D259 VanDerWaalsContact N-O 3.09Å; K214-D259 IonicContact NZ-OD2 2.94Å; K214-D259 PolarHBondContact NZ-OD2 2.99Å; K214-C260 VanDerWaalsContact CD-SG 3.58Å; K214-C260 PolarHBondContact NZ-SG 2.95Å
215F96.3Very high95.9Very high45 Ų4542.1 Ų42.120%0.19723%0.227CC..  trans-65.9138175-66.2-75.7000112.7W156 A180 L182 H197 S198 L199 K217W156-F215 AromaticContact CE2-CZ 3.68Å; W156-F215 HydrophobicContact CZ2-CE1 4.23Å; W156-F215 HydrophobicContact CZ2-CE2 4.46Å; W156-F215 AromaticContact CZ2-CZ 3.52Å; W156-F215 HydrophobicContact CZ2-CZ 3.52Å; W156-F215 AromaticContact NE1-CZ 3.61Å; A180-F215 HydrophobicContact CB-CE1 3.98Å; L182-F215 HydrophobicContact CD1-CD1 3.94Å; L182-F215 HydrophobicContact CD1-CD2 3.93Å; L182-F215 HydrophobicContact CD1-CE1 3.98Å; L182-F215 HydrophobicContact CD1-CE2 4Å; L182-F215 HydrophobicContact CD1-CG 3.91Å; L182-F215 HydrophobicContact CD1-CZ 4.03Å; L182-F215 HydrophobicContact CD2-CD1 4.46Å; L182-F215 HydrophobicContact CD2-CE1 3.68Å; L182-F215 HydrophobicContact CD2-CE2 4.04Å; L182-F215 HydrophobicContact CD2-CZ 3.46Å; L182-F215 VanDerWaalsContact CD2-CZ 3.46Å; L182-F215 HydrophobicContact CG-CD1 4.49Å; L182-F215 HydrophobicContact CG-CE1 4.15Å; L182-F215 HydrophobicContact CG-CZ 4.26Å; H197-F215 HydrophobicContact CB-CB 4.06Å; H197-F215 HydrophobicContact CB-CD1 3.67Å; H197-F215 HydrophobicContact CB-CG 4.2Å; S198-F215 WeakPolarHBondContact O-CA 3.39Å; L199-F215 HydrophobicContact CB-CD1 4.13Å; L199-F215 HydrophobicContact CB-CE1 4.34Å; L199-F215 HydrophobicContact CD2-CD1 3.86Å; L199-F215 HydrophobicContact CD2-CE1 3.28Å; L199-F215 HydrophobicContact CD2-CZ 4.03Å; L199-F215 HydrophobicContact CG-CE1 4.42Å; F215-K217 HydrophobicContact CB-CD 4.16Å; F215-K217 HydrophobicContact CB-CG 4.1Å; F215-K217 PolarHBondContact O-N 3.23Å
216I95.9Very high95.9Very high2 Ų239.4 Ų39.41%0.0121%0.213CC..  trans-71.8110.3169.3-55.9-168.9000108.7H197 S198 M200 C240 A252 F261 P264H197-I216 PolarHBondContact ND1-O 3.34Å; S198-I216 WeakPolarHBondContact O-CG1 3.22Å; S198-I216 PolarHBondContact O-N 2.91Å; M200-I216 HydrophobicContact CE-CD1 3.91Å; I216-C240 HydrophobicContact CD1-CB 4.24Å; I216-C240 VanDerWaalsContact CD1-SG 3.58Å; I216-A252 HydrophobicContact CG2-CB 4.18Å; I216-F261 HydrophobicContact CD1-CB 4.21Å; I216-F261 HydrophobicContact CD1-CD1 4.02Å; I216-F261 HydrophobicContact CD1-CD2 3.73Å; I216-F261 HydrophobicContact CD1-CE1 4.32Å; I216-F261 HydrophobicContact CD1-CE2 4.05Å; I216-F261 HydrophobicContact CD1-CG 3.69Å; I216-F261 HydrophobicContact CD1-CZ 4.32Å; I216-F261 HydrophobicContact CG1-CB 3.94Å; I216-F261 HydrophobicContact CG1-CD2 3.66Å; I216-F261 HydrophobicContact CG1-CE2 4.33Å; I216-F261 HydrophobicContact CG1-CG 3.81Å; I216-F261 HydrophobicContact CG2-CB 4.36Å; I216-P264 HydrophobicContact CG2-CB 4.48Å; I216-P264 HydrophobicContact CG2-CG 3.25Å
217K93.8Very high96Very high106 Ų10636.4 Ų36.446%0.46120%0.198SC..  trans-134.3161.2-172.1-81.4-179.3-179.3175.10110.9F215 P264F215-K217 HydrophobicContact CB-CD 4.16Å; F215-K217 HydrophobicContact CB-CG 4.1Å; F215-K217 PolarHBondContact O-N 3.23Å; K217-P264 VanDerWaalsContact O-CD 3.29Å; K217-P264 WeakPolarHBondContact O-CD 3.39Å
218P93.2Very high96Very high95 Ų9537.8 Ų37.862%0.61720%0.203SC*.SBendcis-90.1-7.2536.3-34.9000114.3
219Q91.6Very high95.9Very high37 Ų3732.9 Ų32.917%0.17317%0.173CC..SBendtrans-72.8146.2-176.5-175.5165.1-26.600111.3H197 P264H197-Q219 PolarHBondContact CE1-O 2.82Å; H197-Q219 VanDerWaalsContact CE1-O 3.26Å; H197-Q219 PolarHBondContact ND1-O 3.36Å; H197-Q219 VanDerWaalsContact ND1-O 3.12Å; Q219-P264 HydrophobicContact CB-CG 4.5Å
220V95.3Very high95.6Very high38 Ų3831.8 Ų31.823%0.2317%0.167CC..  trans-70.1126172.5175.30000109.2K195 P196 P245K195-V220 HydrophobicContact CB-CG2 4.25Å; K195-V220 HydrophobicContact CD-CG2 4.15Å; K195-V220 HydrophobicContact CG-CG2 4.41Å; P196-V220 HydrophobicContact CG-CG1 3.53Å; P196-V220 WeakPolarHBondContact O-CG1 3.49Å; V220-P245 HydrophobicContact CG1-CG 4.33Å
221T97.1Very high95.1Very high1 Ų132 Ų321%0.00617%0.171CC..  trans-139.5143.2179.960.10000111P196 H197 S198 A242 R243 A250P196-T221 CarbonylContact C-O 3.52Å; P196-T221 WeakPolarHBondContact CB-O 3.46Å; P196-T221 PolarHBondContact O-N 3.18Å; P196-T221 VanDerWaalsContact O-N 3.11Å; P196-T221 VanDerWaalsContact O-O 3.1Å; H197-T221 CarbonylContact C-O 3.56Å; H197-T221 VanDerWaalsContact CA-O 3.24Å; H197-T221 WeakPolarHBondContact CA-O 3.45Å; H197-T221 PolarHBondContact N-O 2.51Å; S198-T221 WeakPolarHBondContact CB-OG1 3.49Å; S198-T221 PolarHBondContact N-O 3.25Å; S198-T221 PolarHBondContact N-OG1 3.32Å; S198-T221 WeakPolarHBondContact OG-CB 3.35Å; S198-T221 PolarHBondContact OG-OG1 3.25Å; T221-A242 HydrophobicContact CG2-CB 3.98Å; T221-R243 WeakPolarHBondContact CA-O 3.46Å; T221-A250 HydrophobicContact CG2-CB 3.95Å
222G97.1Very high94.6Very high12 Ų1236.1 Ų36.112%0.12419%0.187CC..  trans-115-134.9179.400000112.2S198 C224 R243S198-G222 PolarHBondContact OG-O 3.1Å; G222-C224 PolarHBondContact O-N 3.07Å; G222-R243 PolarHBondContact N-O 2.72Å
223E98.2Very high94Very high14 Ų1438.4 Ų38.47%0.06521%0.209CC..SBendtrans-42.2123.7175.1-62.2163.5139.400111.7Y179 R243 R249 Q278 Y369Y179-E223 HydrophobicContact CD1-CG 4.32Å; Y179-E223 HydrophobicContact CE1-CB 4.37Å; Y179-E223 HydrophobicContact CE1-CG 3.61Å; E223-R243 HydrophobicContact CB-CB 4.41Å; E223-R243 WeakPolarHBondContact O-CB 3.36Å; E223-R243 PolarHBondContact O-N 2.95Å; E223-R243 VanDerWaalsContact OE2-CD 3.29Å; E223-R243 WeakPolarHBondContact OE2-CD 3.33Å; E223-R243 IonicContact OE2-CZ 3.76Å; E223-R243 IonicContact OE2-NE 2.78Å; E223-R243 IonicContact OE2-NH1 3.55Å; E223-R243 PolarHBondContact OE2-NH1 2.78Å; E223-R249 PolarHBondContact O-NH2 3.43Å; E223-Q278 HydrophobicContact CB-CB 4.38Å; E223-Q278 HydrophobicContact CB-CG 4.44Å; E223-Y369 VanDerWaalsContact CD-OH 3.27Å; E223-Y369 VanDerWaalsContact OE1-CE1 3.23Å; E223-Y369 WeakPolarHBondContact OE1-CE1 3.46Å; E223-Y369 VanDerWaalsContact OE1-CZ 3.25Å; E223-Y369 PolarHBondContact OE1-OH 3.14Å; E223-Y369 PolarHBondContact OE2-OH 2.62Å
224C98.2Very high93.4Very high0 Ų040.9 Ų40.90%024%0.235CC..EExtended strand (participates in β ladder)trans-137.1160.8-174.566.70000111.9P177 G222 S241 A242P177-C224 WeakPolarHBondContact CB-O 3.43Å; G222-C224 PolarHBondContact O-N 3.07Å; C224-S241 VanDerWaalsContact CA-O 3.3Å; C224-S241 WeakPolarHBondContact CA-O 3.35Å; C224-A242 HydrophobicContact CB-CB 3.65Å
225Q98.2Very high93Very high0 Ų038.7 Ų38.70%023%0.229CC..EExtended strand (participates in β ladder)trans-140.4152.7175.3-84.2-71.7-45.600108.5P163 H165 C240 S241 V281P163-Q225 PolarHBondContact O-NE2 2.9Å; H165-Q225 PolarHBondContact CE1-OE1 2.75Å; H165-Q225 VanDerWaalsContact N-NE2 3.13Å; H165-Q225 PolarHBondContact ND1-OE1 2.84Å; H165-Q225 PolarHBondContact NE2-OE1 2.71Å; H165-Q225 PolarHBondContact O-NE2 2.74Å; H165-Q225 PolarHBondContact O-OE1 2.59Å; Q225-C240 WeakPolarHBondContact O-CA 3.24Å; Q225-S241 PolarHBondContact N-O 3.24Å; Q225-S241 VanDerWaalsContact N-O 3.14Å; Q225-S241 PolarHBondContact O-N 3.09Å; Q225-V281 HydrophobicContact CB-CG1 3.97Å
226V97.8Very high92.8Very high1 Ų139.2 Ų39.21%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-131.7150.7-171.8-66.60000112.2I167 M200 L238 Y239 C240I167-V226 HydrophobicContact CD1-CB 4.47Å; I167-V226 HydrophobicContact CD1-CG2 3.83Å; I167-V226 HydrophobicContact CG1-CG2 4.01Å; M200-V226 HydrophobicContact CE-CG1 3.51Å; M200-V226 HydrophobicContact SD-CG1 3.72Å; V226-L238 HydrophobicContact CB-CD1 3.92Å; V226-L238 HydrophobicContact CB-CG 4.37Å; V226-L238 HydrophobicContact CG2-CD1 4.35Å; V226-Y239 CarbonylContact C-O 3.55Å; V226-Y239 WeakPolarHBondContact CA-O 2.99Å; V226-Y239 WeakPolarHBondContact CB-O 3.28Å; V226-C240 HydrophobicContact CG1-CB 3.89Å
227A97.3Very high92.7Very high2 Ų239.6 Ų39.62%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-145.9145.4173.800000110.7Y239 V281 L328A227-Y239 PolarHBondContact N-O 2.82Å; A227-Y239 WeakPolarHBondContact O-CB 3.2Å; A227-Y239 PolarHBondContact O-N 3.4Å; A227-V281 HydrophobicContact CB-CG1 4.01Å; A227-V281 HydrophobicContact CB-CG2 4.28Å; A227-L328 HydrophobicContact CB-CD2 3.69Å
228E95.8Very high92.8Very high34 Ų3434.7 Ų34.716%0.15921%0.214CC..EExtended strand (participates in β ladder)trans-87.8129.5176.4-170.7170.5-125.200110.4L169 Q170 L236 S283L169-E228 HydrophobicContact CD2-CB 4.01Å; L169-E228 HydrophobicContact CD2-CG 4.29Å; Q170-E228 WeakPolarHBondContact CB-OE2 3.17Å; Q170-E228 PolarHBondContact N-OE2 2.73Å; E228-L236 VanDerWaalsContact CD-CD1 3.45Å; E228-L236 HydrophobicContact CG-CB 3.95Å; E228-L236 HydrophobicContact CG-CD1 4.14Å; E228-L236 HydrophobicContact CG-CD2 4.25Å; E228-L236 HydrophobicContact CG-CG 4.32Å; E228-L236 WeakPolarHBondContact OE1-CD1 3.23Å; E228-S283 WeakPolarHBondContact O-CB 3.48Å; E228-S283 PolarHBondContact O-OG 3.45Å
229V94.1Very high93Very high1 Ų130.2 Ų30.21%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-135.6155-176.1-64.10000111.3V237 T326 L328 P350 L351V229-V237 HydrophobicContact CG2-CB 4.38Å; V229-V237 WeakPolarHBondContact CG2-O 3.48Å; V229-V237 PolarHBondContact N-O 2.8Å; V229-V237 PolarHBondContact O-N 3.43Å; V229-V237 VanDerWaalsContact O-O 3.12Å; V229-T326 HydrophobicContact CG1-CG2 4.45Å; V229-L328 HydrophobicContact CG1-CD1 4.33Å; V229-L328 HydrophobicContact CG1-CD2 3.46Å; V229-L328 VanDerWaalsContact CG1-CD2 3.46Å; V229-L328 HydrophobicContact CG1-CG 3.86Å; V229-P350 HydrophobicContact CB-CB 3.85Å; V229-P350 HydrophobicContact CB-CG 4.23Å; V229-P350 HydrophobicContact CG1-CB 3.74Å; V229-P350 HydrophobicContact CG1-CG 4.01Å; V229-P350 HydrophobicContact CG2-CB 4.04Å; V229-L351 HydrophobicContact CG2-CD2 4.31Å
230P90.4Very high93.3Very high30 Ų3028.5 Ų28.520%0.19518%0.177CC..EExtended strand (participates in β ladder)trans-68.8132.917527.5-33.9000111.4L351P230-L351 WeakPolarHBondContact O-CD1 3.1Å
231G87.4Confident93.4Very high10 Ų1026.7 Ų26.710%0.10317%0.166CC..  trans-82.2167.517200000113A233 G234 N235G231-A233 PolarHBondContact O-N 3.04Å; G231-G234 PolarHBondContact O-N 2.8Å; G231-N235 WeakPolarHBondContact CA-O 3.39Å; G231-N235 PolarHBondContact N-O 3.03Å
232K84.1Confident93.4Very high169 Ų16926.7 Ų26.774%0.73517%0.167SC*.THydrogen-bonded Turntrans-60.6-30.6-178.5-61.8-167175.8-167.70113.2L351 E352K232-L351 HydrophobicContact CB-CD1 4.36Å; K232-L351 HydrophobicContact CG-CD1 3.44Å; K232-L351 VanDerWaalsContact CG-CD1 3.44Å; K232-L351 VanDerWaalsContact N-CD1 3.35Å; K232-E352 IonicContact NZ-OE1 3.9Å; K232-E352 PolarHBondContact NZ-OE1 2.95Å
233A83Confident93.4Very high90 Ų9029.4 Ų29.474%0.74417%0.173SC*.THydrogen-bonded Turntrans-94.812.1179.800000113.3G231 N235G231-A233 PolarHBondContact O-N 3.04Å; A233-N235 PolarHBondContact O-N 3.32Å
234G80.9Confident93.2Very high56 Ų5629 Ų2958%0.57717%0.172SC*.SBendtrans79.2-8.6-176.700000114.6G231G231-G234 PolarHBondContact O-N 2.8Å
235N87.7Confident93Very high70 Ų7033.6 Ų33.637%0.37420%0.201SC..  trans-68149.8167.868.9-74.4000110.3G231 A233G231-N235 WeakPolarHBondContact CA-O 3.39Å; G231-N235 PolarHBondContact N-O 3.03Å; A233-N235 PolarHBondContact O-N 3.32Å
236L91.9Very high92.8Very high56 Ų5637.4 Ų37.429%0.29322%0.222SC..EExtended strand (participates in β ladder)trans-74.3148.5172.4-62.6170000110.9Q170 E228Q170-L236 HydrophobicContact CB-CD1 3.46Å; Q170-L236 VanDerWaalsContact CB-CD1 3.46Å; Q170-L236 HydrophobicContact CG-CD1 4.18Å; E228-L236 VanDerWaalsContact CD-CD1 3.45Å; E228-L236 HydrophobicContact CG-CB 3.95Å; E228-L236 HydrophobicContact CG-CD1 4.14Å; E228-L236 HydrophobicContact CG-CD2 4.25Å; E228-L236 HydrophobicContact CG-CG 4.32Å; E228-L236 WeakPolarHBondContact OE1-CD1 3.23Å
237V94.1Very high92.5Very high10 Ų1043.3 Ų43.36%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-132.1136.1179.8177.20000107.5V229 F253 S254 T255V229-V237 HydrophobicContact CG2-CB 4.38Å; V229-V237 WeakPolarHBondContact CG2-O 3.48Å; V229-V237 PolarHBondContact N-O 2.8Å; V229-V237 PolarHBondContact O-N 3.43Å; V229-V237 VanDerWaalsContact O-O 3.12Å; V237-F253 HydrophobicContact CG1-CB 3.83Å; V237-F253 HydrophobicContact CG1-CD1 3.8Å; V237-F253 HydrophobicContact CG1-CG 4.28Å; V237-S254 WeakPolarHBondContact CA-O 3.41Å; V237-S254 WeakPolarHBondContact CG1-O 3.22Å; V237-T255 HydrophobicContact CG2-CG2 4.3Å
238L96.3Very high92.4Very high3 Ų346.2 Ų46.22%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-88.1117.1173.9-175.868000109.4I167 L169 L175 V226 F253 S254 G258 F261I167-L238 HydrophobicContact CD1-CD1 3.82Å; L169-L238 HydrophobicContact CD2-CD1 3.99Å; L175-L238 HydrophobicContact CD1-CD1 3.9Å; L175-L238 HydrophobicContact CD1-CD2 3.42Å; L175-L238 VanDerWaalsContact CD1-CD2 3.42Å; L175-L238 HydrophobicContact CD1-CG 4.31Å; V226-L238 HydrophobicContact CB-CD1 3.92Å; V226-L238 HydrophobicContact CB-CG 4.37Å; V226-L238 HydrophobicContact CG2-CD1 4.35Å; L238-F253 CarbonylContact O-C 3.58Å; L238-F253 VanDerWaalsContact O-CA 3.29Å; L238-F253 WeakPolarHBondContact O-CA 3.33Å; L238-S254 PolarHBondContact N-O 2.88Å; L238-S254 PolarHBondContact O-N 3.15Å; L238-G258 VanDerWaalsContact CD2-CA 3.45Å; L238-F261 HydrophobicContact CD2-CE1 4.15Å; L238-F261 HydrophobicContact CD2-CE2 4.42Å; L238-F261 HydrophobicContact CD2-CZ 3.54Å; L238-F261 HydrophobicContact CG-CE1 4.32Å; L238-F261 HydrophobicContact CG-CZ 4.17Å
239Y96.8Very high92.5Very high0 Ų044.6 Ų44.60%025%0.252CS..EExtended strand (participates in β ladder)trans-85.9140.1170.4169.8-92.1000110.1V226 A227 E251 F253 V281 L328 W356V226-Y239 CarbonylContact C-O 3.55Å; V226-Y239 WeakPolarHBondContact CA-O 2.99Å; V226-Y239 WeakPolarHBondContact CB-O 3.28Å; A227-Y239 PolarHBondContact N-O 2.82Å; A227-Y239 WeakPolarHBondContact O-CB 3.2Å; A227-Y239 PolarHBondContact O-N 3.4Å; Y239-E251 HydrophobicContact CE2-CB 4.01Å; Y239-E251 HydrophobicContact CE2-CG 3.83Å; Y239-E251 VanDerWaalsContact CE2-OE1 3.26Å; Y239-E251 WeakPolarHBondContact CE2-OE1 3.47Å; Y239-E251 WeakPolarHBondContact OH-CG 3.35Å; Y239-E251 PolarHBondContact OH-OE1 3.18Å; Y239-F253 HydrophobicContact CD2-CD1 4.3Å; Y239-F253 AromaticContact CD2-CE1 3.63Å; Y239-F253 HydrophobicContact CD2-CE1 3.63Å; Y239-F253 AromaticContact CD2-CZ 3.87Å; Y239-F253 HydrophobicContact CD2-CZ 3.87Å; Y239-F253 HydrophobicContact CE2-CZ 4.35Å; Y239-F253 HydrophobicContact CG-CE1 4.48Å; Y239-V281 HydrophobicContact CD1-CG1 4.22Å; Y239-V281 HydrophobicContact CD1-CG2 4.1Å; Y239-V281 HydrophobicContact CE1-CB 4.32Å; Y239-V281 HydrophobicContact CE1-CG1 4.2Å; Y239-V281 HydrophobicContact CE1-CG2 3.81Å; Y239-L328 HydrophobicContact CD1-CD1 3.89Å; Y239-L328 HydrophobicContact CD1-CD2 4.31Å; Y239-L328 HydrophobicContact CD2-CD1 3.89Å; Y239-L328 HydrophobicContact CE1-CD1 4.05Å; Y239-L328 HydrophobicContact CE2-CD1 4.03Å; Y239-L328 HydrophobicContact CG-CD1 3.8Å; Y239-W356 WeakPolarHBondContact OH-CZ2 3.16Å
240C97.4Very high92.6Very high1 Ų144.6 Ų44.61%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-129.8128.9173.1174.10000110.3M200 I216 Q225 V226 E251 A252 F261M200-C240 HydrophobicContact CE-CB 4.38Å; I216-C240 HydrophobicContact CD1-CB 4.24Å; I216-C240 VanDerWaalsContact CD1-SG 3.58Å; Q225-C240 WeakPolarHBondContact O-CA 3.24Å; V226-C240 HydrophobicContact CG1-CB 3.89Å; C240-E251 CarbonylContact O-C 3.55Å; C240-E251 VanDerWaalsContact O-CA 3.3Å; C240-E251 WeakPolarHBondContact O-CA 3.44Å; C240-A252 HydrophobicContact CB-CB 4.5Å; C240-A252 PolarHBondContact N-O 3.32Å; C240-A252 PolarHBondContact O-N 3.02Å; C240-F261 HydrophobicContact CB-CD1 4.03Å; C240-F261 HydrophobicContact CB-CE1 3.46Å; C240-F261 VanDerWaalsContact CB-CE1 3.46Å; C240-F261 HydrophobicContact CB-CZ 4.09Å
241S97.2Very high92.9Very high0 Ų043.4 Ų43.40%024%0.244CC..EExtended strand (participates in β ladder)trans-110.4114.1169.1176.50000109.8C224 Q225 R249C224-S241 VanDerWaalsContact CA-O 3.3Å; C224-S241 WeakPolarHBondContact CA-O 3.35Å; Q225-S241 PolarHBondContact N-O 3.24Å; Q225-S241 VanDerWaalsContact N-O 3.14Å; Q225-S241 PolarHBondContact O-N 3.09Å; S241-R249 PolarHBondContact O-NH2 2.81Å; S241-R249 PolarHBondContact OG-NE 2.5Å; S241-R249 VanDerWaalsContact OG-NE 3.1Å
242A97.5Very high93.3Very high2 Ų243 Ų432%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-119.1146.6-17600000112.9T221 C224 R249 A250T221-A242 HydrophobicContact CG2-CB 3.98Å; C224-A242 HydrophobicContact CB-CB 3.65Å; A242-R249 VanDerWaalsContact C-CZ 3.49Å; A242-A250 PolarHBondContact N-O 2.67Å; A242-A250 PolarHBondContact O-N 3.13Å
243R96.7Very high93.8Very high69 Ų6936.2 Ų36.226%0.2621%0.211SC..  trans-67.8142.9177.7-167.1-179154.2-162.9-11.2111.3T221 G222 E223 E272 G275T221-R243 WeakPolarHBondContact CA-O 3.46Å; G222-R243 PolarHBondContact N-O 2.72Å; E223-R243 HydrophobicContact CB-CB 4.41Å; E223-R243 WeakPolarHBondContact O-CB 3.36Å; E223-R243 PolarHBondContact O-N 2.95Å; E223-R243 VanDerWaalsContact OE2-CD 3.29Å; E223-R243 WeakPolarHBondContact OE2-CD 3.33Å; E223-R243 IonicContact OE2-CZ 3.76Å; E223-R243 IonicContact OE2-NE 2.78Å; E223-R243 IonicContact OE2-NH1 3.55Å; E223-R243 PolarHBondContact OE2-NH1 2.78Å; R243-E272 VanDerWaalsContact CA-OE1 3.22Å; R243-E272 WeakPolarHBondContact CA-OE1 3.44Å; R243-E272 WeakPolarHBondContact CG-OE2 3.09Å; R243-G275 PolarHBondContact NH2-O 2.87Å
244T95.3Very high94.4Very high6 Ų632 Ų324%0.03718%0.175CC..  trans-136.2152.5175.886.90000113.3N246 F248 A250 L266 E272T244-N246 PolarHBondContact O-N 3.33Å; T244-N246 VanDerWaalsContact O-N 3.15Å; T244-N246 WeakPolarHBondContact OG1-CB 3.31Å; T244-N246 PolarHBondContact OG1-N 3.25Å; T244-N246 VanDerWaalsContact OG1-N 3.11Å; T244-F248 WeakPolarHBondContact CG2-O 3.28Å; T244-F248 PolarHBondContact OG1-O 2.82Å; T244-A250 HydrophobicContact CG2-CB 3.34Å; T244-L266 HydrophobicContact CG2-CD2 3.94Å; T244-E272 PolarHBondContact N-OE1 2.77Å
245P92.9Very high95Very high95 Ų9533.6 Ų33.662%0.61717%0.174SC*.THydrogen-bonded Turntrans-68.4-817129.9-36.1000113.2V220 K247V220-P245 HydrophobicContact CG1-CG 4.33Å; P245-K247 VanDerWaalsContact C-N 3.25Å; P245-K247 PolarHBondContact O-N 3Å
246N93.4Very high95.1Very high81 Ų8133 Ų3343%0.43317%0.171SC..THydrogen-bonded Turntrans-86.312.4-175.7-62.6-37.5000113.4T244 F248 L266T244-N246 PolarHBondContact O-N 3.33Å; T244-N246 VanDerWaalsContact O-N 3.15Å; T244-N246 WeakPolarHBondContact OG1-CB 3.31Å; T244-N246 PolarHBondContact OG1-N 3.25Å; T244-N246 VanDerWaalsContact OG1-N 3.11Å; N246-F248 WeakPolarHBondContact O-CD2 3Å; N246-F248 PolarHBondContact O-N 2.9Å; N246-L266 HydrophobicContact CB-CD1 3.8Å; N246-L266 HydrophobicContact CB-CD2 4.34Å
247K93.3Very high95Very high125 Ų12532.2 Ų32.254%0.54317%0.17SC..SBendtrans66.416.5176.7-47.9172.7-175.4168.70115.1P245 C271 E272P245-K247 VanDerWaalsContact C-N 3.25Å; P245-K247 PolarHBondContact O-N 3Å; K247-C271 WeakPolarHBondContact O-CA 3.48Å; K247-E272 PolarHBondContact O-N 2.87Å
248F95.3Very high94.6Very high63 Ų6331.7 Ų31.728%0.27617%0.167SC..EExtended strand (participates in β ladder)trans-141.1147.5177.5-63.4-73.8000108.7T244 N246 L266 N267 Q268 L270 C271T244-F248 WeakPolarHBondContact CG2-O 3.28Å; T244-F248 PolarHBondContact OG1-O 2.82Å; N246-F248 WeakPolarHBondContact O-CD2 3Å; N246-F248 PolarHBondContact O-N 2.9Å; F248-L266 HydrophobicContact CB-CB 4.38Å; F248-L266 HydrophobicContact CB-CD2 4.1Å; F248-N267 WeakPolarHBondContact CB-O 3.43Å; F248-N267 WeakPolarHBondContact CD1-O 3.44Å; F248-Q268 HydrophobicContact CE1-CB 4.46Å; F248-L270 WeakPolarHBondContact CA-O 3.18Å; F248-C271 HydrophobicContact CD1-CB 4.15Å; F248-C271 HydrophobicContact CE1-CB 4.15Å
249R96.4Very high94.1Very high0 Ų033.6 Ų33.60%018%0.177CC..EExtended strand (participates in β ladder)trans-62.7140.6171.6-58.5-57.5-63.4-170.7-7.9109.8E223 S241 A242 L266 N267 L270 E272 C277 Y330E223-R249 PolarHBondContact O-NH2 3.43Å; S241-R249 PolarHBondContact O-NH2 2.81Å; S241-R249 PolarHBondContact OG-NE 2.5Å; S241-R249 VanDerWaalsContact OG-NE 3.1Å; A242-R249 VanDerWaalsContact C-CZ 3.49Å; R249-L266 WeakPolarHBondContact O-CA 3.4Å; R249-N267 PolarHBondContact O-N 3.02Å; R249-L270 HydrophobicContact CB-CB 3.95Å; R249-L270 HydrophobicContact CB-CD1 4.32Å; R249-L270 HydrophobicContact CG-CB 3.64Å; R249-L270 HydrophobicContact CG-CD1 4.25Å; R249-L270 PolarHBondContact N-O 2.82Å; R249-E272 WeakPolarHBondContact CD-OE1 3.24Å; R249-E272 HydrophobicContact CG-CG 4.49Å; R249-E272 IonicContact NH1-OE1 2.67Å; R249-C277 PolarHBondContact NH1-O 2.7Å; R249-Y330 WeakPolarHBondContact CD-OH 3.26Å; R249-Y330 HydrophobicContact CG-CE1 4.23Å; R249-Y330 PolarHBondContact NE-OH 3.03Å; R249-Y330 PolarHBondContact NH2-OH 2.85Å
250A96.4Very high93.8Very high1 Ų135.5 Ų35.51%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-93.2124.3166.100000109.1T221 A242 T244 P264 T265 L266T221-A250 HydrophobicContact CG2-CB 3.95Å; A242-A250 PolarHBondContact N-O 2.67Å; A242-A250 PolarHBondContact O-N 3.13Å; T244-A250 HydrophobicContact CG2-CB 3.34Å; A250-P264 HydrophobicContact CB-CB 3.97Å; A250-T265 WeakPolarHBondContact CA-O 3.39Å; A250-L266 HydrophobicContact CB-CD2 4.4Å
251E96.6Very high93.6Very high4 Ų436.7 Ų36.72%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-101.1134.8174.4-62.4-176.7126.900109.8Y239 C240 P264 T265 N267 V353 W356Y239-E251 HydrophobicContact CE2-CB 4.01Å; Y239-E251 HydrophobicContact CE2-CG 3.83Å; Y239-E251 VanDerWaalsContact CE2-OE1 3.26Å; Y239-E251 WeakPolarHBondContact CE2-OE1 3.47Å; Y239-E251 WeakPolarHBondContact OH-CG 3.35Å; Y239-E251 PolarHBondContact OH-OE1 3.18Å; C240-E251 CarbonylContact O-C 3.55Å; C240-E251 VanDerWaalsContact O-CA 3.3Å; C240-E251 WeakPolarHBondContact O-CA 3.44Å; E251-P264 CarbonylContact O-C 3.6Å; E251-P264 VanDerWaalsContact O-CA 3.22Å; E251-P264 WeakPolarHBondContact O-CA 3.46Å; E251-T265 PolarHBondContact N-O 2.83Å; E251-T265 PolarHBondContact O-N 3.15Å; E251-N267 HydrophobicContact CG-CB 4.11Å; E251-N267 PolarHBondContact OE1-ND2 3.21Å; E251-N267 WeakPolarHBondContact OE2-CB 3.27Å; E251-N267 PolarHBondContact OE2-ND2 2.93Å; E251-V353 WeakPolarHBondContact OE2-CB 3.5Å; E251-V353 WeakPolarHBondContact OE2-CG1 3.38Å; E251-W356 PolarHBondContact OE1-NE1 3.1Å
252A96Very high93.5Very high3 Ų342 Ų423%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-138.9152.1175.900000110.4I216 C240 F261 P264I216-A252 HydrophobicContact CG2-CB 4.18Å; C240-A252 HydrophobicContact CB-CB 4.5Å; C240-A252 PolarHBondContact N-O 3.32Å; C240-A252 PolarHBondContact O-N 3.02Å; A252-F261 HydrophobicContact CB-CB 4.13Å; A252-F261 HydrophobicContact CB-CD1 3.86Å; A252-F261 HydrophobicContact CB-CG 4.37Å; A252-P264 HydrophobicContact CB-CB 4.26Å; A252-P264 HydrophobicContact CB-CG 4.14Å
253F95.6Very high93.3Very high26 Ų2649.4 Ų49.411%0.11425%0.251CS..EExtended strand (participates in β ladder)trans-123.7140.9-178.7-62.1-88.7000110.2V237 L238 Y239 Q262 L351 V353V237-F253 HydrophobicContact CG1-CB 3.83Å; V237-F253 HydrophobicContact CG1-CD1 3.8Å; V237-F253 HydrophobicContact CG1-CG 4.28Å; L238-F253 CarbonylContact O-C 3.58Å; L238-F253 VanDerWaalsContact O-CA 3.29Å; L238-F253 WeakPolarHBondContact O-CA 3.33Å; Y239-F253 HydrophobicContact CD2-CD1 4.3Å; Y239-F253 AromaticContact CD2-CE1 3.63Å; Y239-F253 HydrophobicContact CD2-CE1 3.63Å; Y239-F253 AromaticContact CD2-CZ 3.87Å; Y239-F253 HydrophobicContact CD2-CZ 3.87Å; Y239-F253 HydrophobicContact CE2-CZ 4.35Å; Y239-F253 HydrophobicContact CG-CE1 4.48Å; F253-Q262 WeakPolarHBondContact O-CB 3.4Å; F253-Q262 WeakPolarHBondContact O-CG 3.47Å; F253-Q262 PolarHBondContact O-N 2.88Å; F253-L351 HydrophobicContact CD1-CD2 4.19Å; F253-L351 HydrophobicContact CE1-CD2 3.96Å; F253-V353 HydrophobicContact CE2-CG1 4.3Å
254S95.4Very high93.2Very high0 Ų046.2 Ų46.20%024%0.24CC..EExtended strand (participates in β ladder)trans-121.6132.7172.3159.20000109.8V237 L238 D256 G258 C260V237-S254 WeakPolarHBondContact CA-O 3.41Å; V237-S254 WeakPolarHBondContact CG1-O 3.22Å; L238-S254 PolarHBondContact N-O 2.88Å; L238-S254 PolarHBondContact O-N 3.15Å; S254-D256 PolarHBondContact OG-N 3.13Å; S254-D256 PolarHBondContact OG-OD1 3.19Å; S254-G258 WeakPolarHBondContact OG-CA 3.43Å; S254-G258 PolarHBondContact OG-N 3.01Å; S254-C260 WeakPolarHBondContact CA-O 3.37Å; S254-C260 WeakPolarHBondContact CB-O 3.36Å; S254-C260 PolarHBondContact OG-O 2.85Å; S254-C260 VanDerWaalsContact OG-O 3.11Å
255T93.2Very high93.2Very high90 Ų9049.7 Ų49.755%0.55226%0.261SS*.SBendtrans-101.94.7175.558.20000112.6V237V237-T255 HydrophobicContact CG2-CG2 4.3Å
256D90.5Very high93.3Very high58 Ų5848 Ų4831%0.3125%0.246SC..SBendtrans-124.534.7-176.762.71.3000111.6S254 G258 D259 C260S254-D256 PolarHBondContact OG-N 3.13Å; S254-D256 PolarHBondContact OG-OD1 3.19Å; D256-G258 VanDerWaalsContact C-N 3.29Å; D256-G258 PolarHBondContact O-N 2.86Å; D256-D259 PolarHBondContact O-N 2.93Å; D256-D259 PolarHBondContact OD1-N 3.36Å; D256-C260 VanDerWaalsContact CG-N 3.35Å; D256-C260 PolarHBondContact OD1-N 2.72Å; D256-C260 WeakPolarHBondContact OD2-CB 3.16Å; D256-C260 PolarHBondContact OD2-N 3.14Å; D256-C260 VanDerWaalsContact OD2-N 3.12Å; D256-C260 PolarHBondContact OD2-SG 2.92Å
257S88.6Confident93.4Very high39 Ų3944.2 Ų44.227%0.27323%0.226SC..THydrogen-bonded Turntrans57.338.4175.4-56.30000113.8R173R173-S257 VanDerWaalsContact CD-O 3.26Å; R173-S257 WeakPolarHBondContact CD-O 3.48Å; R173-S257 PolarHBondContact NH1-O 2.92Å
258G85.7Confident93.4Very high0 Ų045.8 Ų45.80%024%0.236CC..THydrogen-bonded Turntrans89.24.6173.500000116.5L238 S254 D256L238-G258 VanDerWaalsContact CD2-CA 3.45Å; S254-G258 WeakPolarHBondContact OG-CA 3.43Å; S254-G258 PolarHBondContact OG-N 3.01Å; D256-G258 VanDerWaalsContact C-N 3.29Å; D256-G258 PolarHBondContact O-N 2.86Å
259D85Confident93.3Very high43 Ų4346 Ų4623%0.2324%0.238CC..SBendtrans-70.3-46.9174.8-176.750.8000111.5K214 D256K214-D259 VanDerWaalsContact CB-O 3.28Å; K214-D259 WeakPolarHBondContact CB-O 3.5Å; K214-D259 WeakPolarHBondContact CG-O 3.4Å; K214-D259 PolarHBondContact N-O 2.8Å; K214-D259 VanDerWaalsContact N-O 3.09Å; K214-D259 IonicContact NZ-OD2 2.94Å; K214-D259 PolarHBondContact NZ-OD2 2.99Å; D256-D259 PolarHBondContact O-N 2.93Å; D256-D259 PolarHBondContact OD1-N 3.36Å
260C90.4Very high93.2Very high39 Ų3946 Ų4626%0.26424%0.238SC..  trans-128.4133.8176.9-51.60000111.5K214 S254 D256K214-C260 VanDerWaalsContact CD-SG 3.58Å; K214-C260 PolarHBondContact NZ-SG 2.95Å; S254-C260 WeakPolarHBondContact CA-O 3.37Å; S254-C260 WeakPolarHBondContact CB-O 3.36Å; S254-C260 PolarHBondContact OG-O 2.85Å; S254-C260 VanDerWaalsContact OG-O 3.11Å; D256-C260 VanDerWaalsContact CG-N 3.35Å; D256-C260 PolarHBondContact OD1-N 2.72Å; D256-C260 WeakPolarHBondContact OD2-CB 3.16Å; D256-C260 PolarHBondContact OD2-N 3.14Å; D256-C260 VanDerWaalsContact OD2-N 3.12Å; D256-C260 PolarHBondContact OD2-SG 2.92Å
261F94.8Very high93.1Very high27 Ų2746.5 Ų46.512%0.11824%0.241CC..PPolyproline II helixtrans-101143169.4-72.9-96.1000111.2M200 I216 L238 C240 A252M200-F261 HydrophobicContact CE-CE2 3.89Å; M200-F261 HydrophobicContact CE-CZ 3.72Å; M200-F261 HydrophobicContact CG-CE2 3.75Å; M200-F261 HydrophobicContact CG-CZ 4.04Å; I216-F261 HydrophobicContact CD1-CB 4.21Å; I216-F261 HydrophobicContact CD1-CD1 4.02Å; I216-F261 HydrophobicContact CD1-CD2 3.73Å; I216-F261 HydrophobicContact CD1-CE1 4.32Å; I216-F261 HydrophobicContact CD1-CE2 4.05Å; I216-F261 HydrophobicContact CD1-CG 3.69Å; I216-F261 HydrophobicContact CD1-CZ 4.32Å; I216-F261 HydrophobicContact CG1-CB 3.94Å; I216-F261 HydrophobicContact CG1-CD2 3.66Å; I216-F261 HydrophobicContact CG1-CE2 4.33Å; I216-F261 HydrophobicContact CG1-CG 3.81Å; I216-F261 HydrophobicContact CG2-CB 4.36Å; L238-F261 HydrophobicContact CD2-CE1 4.15Å; L238-F261 HydrophobicContact CD2-CE2 4.42Å; L238-F261 HydrophobicContact CD2-CZ 3.54Å; L238-F261 HydrophobicContact CG-CE1 4.32Å; L238-F261 HydrophobicContact CG-CZ 4.17Å; C240-F261 HydrophobicContact CB-CD1 4.03Å; C240-F261 HydrophobicContact CB-CE1 3.46Å; C240-F261 VanDerWaalsContact CB-CE1 3.46Å; C240-F261 HydrophobicContact CB-CZ 4.09Å; A252-F261 HydrophobicContact CB-CB 4.13Å; A252-F261 HydrophobicContact CB-CD1 3.86Å; A252-F261 HydrophobicContact CB-CG 4.37Å
262Q94.2Very high92.9Very high110 Ų11046.5 Ų46.551%0.51424%0.241SC..PPolyproline II helixtrans-61162.9165.3-63.7176.47.800110.4F253 P264F253-Q262 WeakPolarHBondContact O-CB 3.4Å; F253-Q262 WeakPolarHBondContact O-CG 3.47Å; F253-Q262 PolarHBondContact O-N 2.88Å; Q262-P264 WeakPolarHBondContact O-CD 3.39Å
263K94Very high92.8Very high158 Ų15846.6 Ų46.669%0.68724%0.241SC*.PPolyproline II helixtrans-54125176.8174.3175174-172.10110
264P94.5Very high92.4Very high3 Ų355.7 Ų55.72%0.01928%0.275CS..PPolyproline II helixtrans-64.5147.3178.8-21.331.5000112.7I216 K217 Q219 A250 E251 A252 Q262I216-P264 HydrophobicContact CG2-CB 4.48Å; I216-P264 HydrophobicContact CG2-CG 3.25Å; K217-P264 VanDerWaalsContact O-CD 3.29Å; K217-P264 WeakPolarHBondContact O-CD 3.39Å; Q219-P264 HydrophobicContact CB-CG 4.5Å; A250-P264 HydrophobicContact CB-CB 3.97Å; E251-P264 CarbonylContact O-C 3.6Å; E251-P264 VanDerWaalsContact O-CA 3.22Å; E251-P264 WeakPolarHBondContact O-CA 3.46Å; A252-P264 HydrophobicContact CB-CB 4.26Å; A252-P264 HydrophobicContact CB-CG 4.14Å; Q262-P264 WeakPolarHBondContact O-CD 3.39Å
265T95.2Very high92.1Very high78 Ų7858.3 Ų58.348%0.47930%0.301SS..EExtended strand (participates in β ladder)trans-118.5137.5174.2-590000109.8A250 E251A250-T265 WeakPolarHBondContact CA-O 3.39Å; E251-T265 PolarHBondContact N-O 2.83Å; E251-T265 PolarHBondContact O-N 3.15Å
266L95.4Very high92.1Very high59 Ų5954.2 Ų54.231%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-75.6127.7175.6-73.5179.6000110.9T244 N246 F248 R249 A250T244-L266 HydrophobicContact CG2-CD2 3.94Å; N246-L266 HydrophobicContact CB-CD1 3.8Å; N246-L266 HydrophobicContact CB-CD2 4.34Å; F248-L266 HydrophobicContact CB-CB 4.38Å; F248-L266 HydrophobicContact CB-CD2 4.1Å; R249-L266 WeakPolarHBondContact O-CA 3.4Å; A250-L266 HydrophobicContact CB-CD2 4.4Å
267N94.5Very high92.4Very high2 Ų251.6 Ų51.61%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-94.8116.6178.2-168.2-49.1000111.6F248 R249 E251 Q269 L270 V353 W356F248-N267 WeakPolarHBondContact CB-O 3.43Å; F248-N267 WeakPolarHBondContact CD1-O 3.44Å; R249-N267 PolarHBondContact O-N 3.02Å; E251-N267 HydrophobicContact CG-CB 4.11Å; E251-N267 PolarHBondContact OE1-ND2 3.21Å; E251-N267 WeakPolarHBondContact OE2-CB 3.27Å; E251-N267 PolarHBondContact OE2-ND2 2.93Å; N267-Q269 VanDerWaalsContact C-N 3.34Å; N267-Q269 PolarHBondContact O-N 2.86Å; N267-Q269 WeakPolarHBondContact OD1-CA 3.39Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.45Å; N267-Q269 PolarHBondContact OD1-N 2.98Å; N267-L270 HydrophobicContact CB-CB 4.32Å; N267-L270 HydrophobicContact CB-CG 4.5Å; N267-L270 PolarHBondContact O-N 3.1Å; N267-L270 PolarHBondContact OD1-N 3.06Å; N267-V353 PolarHBondContact ND2-O 2.94Å; N267-W356 PolarHBondContact ND2-NE1 3.11Å
268Q93.3Very high92.8Very high158 Ų15849.8 Ų49.874%0.73825%0.25SS*.EExtended strand (participates in β ladder)trans-75-19.7-177.9-64.4-173.7-300114.2F248F248-Q268 HydrophobicContact CE1-CB 4.46Å
269Q94Very high93.3Very high69 Ų6949.8 Ų49.832%0.32225%0.25SS..EExtended strand (participates in β ladder)trans-79.6-25176.2-57.1-178.2-70.700111.8N267 V353 N354 W356N267-Q269 VanDerWaalsContact C-N 3.34Å; N267-Q269 PolarHBondContact O-N 2.86Å; N267-Q269 WeakPolarHBondContact OD1-CA 3.39Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.45Å; N267-Q269 PolarHBondContact OD1-N 2.98Å; Q269-V353 PolarHBondContact OE1-O 2.83Å; Q269-N354 PolarHBondContact OE1-O 2.87Å; Q269-W356 HydrophobicContact CB-CB 4.03Å; Q269-W356 PolarHBondContact NE2-O 3.36Å
270L94.9Very high94Very high0 Ų047.7 Ų47.70%024%0.239CC..EExtended strand (participates in β ladder)trans-104.677178-57.6-176.7000111.3F248 R249 N267 Y330 Y345 W356F248-L270 WeakPolarHBondContact CA-O 3.18Å; R249-L270 HydrophobicContact CB-CB 3.95Å; R249-L270 HydrophobicContact CB-CD1 4.32Å; R249-L270 HydrophobicContact CG-CB 3.64Å; R249-L270 HydrophobicContact CG-CD1 4.25Å; R249-L270 PolarHBondContact N-O 2.82Å; N267-L270 HydrophobicContact CB-CB 4.32Å; N267-L270 HydrophobicContact CB-CG 4.5Å; N267-L270 PolarHBondContact O-N 3.1Å; N267-L270 PolarHBondContact OD1-N 3.06Å; L270-Y330 HydrophobicContact CD1-CD1 4.05Å; L270-Y330 HydrophobicContact CD1-CE1 4.23Å; L270-Y330 HydrophobicContact CD2-CD1 3.88Å; L270-Y330 HydrophobicContact CD2-CE1 4.39Å; L270-Y345 HydrophobicContact CD2-CD1 3.78Å; L270-Y345 HydrophobicContact CD2-CD2 4.3Å; L270-Y345 HydrophobicContact CD2-CE1 4.02Å; L270-Y345 HydrophobicContact CD2-CG 3.9Å; L270-W356 HydrophobicContact CD1-CD2 4.16Å; L270-W356 HydrophobicContact CD1-CG 4.46Å; L270-W356 HydrophobicContact CD1-CZ2 4.03Å; L270-W356 HydrophobicContact CD2-CD2 4.12Å; L270-W356 HydrophobicContact CD2-CE3 4.47Å; L270-W356 HydrophobicContact CD2-CG 4.15Å; L270-W356 HydrophobicContact CG-CD2 4.34Å; L270-W356 HydrophobicContact CG-CG 4.24Å
271C93.9Very high94.4Very high11 Ų1145.9 Ų45.97%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-78.3146.2177.564.40000113K247 F248 H332 K336K247-C271 WeakPolarHBondContact O-CA 3.48Å; F248-C271 HydrophobicContact CD1-CB 4.15Å; F248-C271 HydrophobicContact CE1-CB 4.15Å; C271-H332 PolarHBondContact O-CE1 2.92Å; C271-K336 HydrophobicContact CB-CG 4.13Å
272E92.4Very high94.5Very high3 Ų345.1 Ų45.11%0.01422%0.224CC..  trans-105.5153.1174.6-66.3-173.4-150.300111.9R243 T244 K247 R249 G276R243-E272 VanDerWaalsContact CA-OE1 3.22Å; R243-E272 WeakPolarHBondContact CA-OE1 3.44Å; R243-E272 WeakPolarHBondContact CG-OE2 3.09Å; T244-E272 PolarHBondContact N-OE1 2.77Å; K247-E272 PolarHBondContact O-N 2.87Å; R249-E272 WeakPolarHBondContact CD-OE1 3.24Å; R249-E272 HydrophobicContact CG-CG 4.49Å; R249-E272 IonicContact NH1-OE1 2.67Å; E272-G276 WeakPolarHBondContact OE2-CA 3.33Å
273P93.2Very high94.5Very high5 Ų541.6 Ų41.63%0.03221%0.212CC..  trans-63.5164.6168.627.5-34000111.3G275 G276 C277 R339P273-G275 PolarHBondContact O-N 3.29Å; P273-G275 VanDerWaalsContact O-N 3.12Å; P273-G276 WeakPolarHBondContact O-CA 3.29Å; P273-G276 PolarHBondContact O-N 2.81Å; P273-C277 HydrophobicContact CG-CB 4.03Å; P273-R339 HydrophobicContact CG-CG 4.13Å
274R88.6Confident94.3Very high218 Ų21835.1 Ų35.182%0.82319%0.186SC*.THydrogen-bonded Turntrans-53.3-38.5-177.1179.4179.8172.3124.60.5113.8G276R274-G276 VanDerWaalsContact C-N 3.34Å
275G87.4Confident93.8Very high54 Ų5441.3 Ų41.356%0.55721%0.209SC*.THydrogen-bonded Turntrans-87.1-2.1177.600000113.7R243 P273R243-G275 PolarHBondContact NH2-O 2.87Å; P273-G275 PolarHBondContact O-N 3.29Å; P273-G275 VanDerWaalsContact O-N 3.12Å
276G93.3Very high92.6Very high4 Ų439.3 Ų39.34%0.04120%0.197CC..  trans66.1165.9-169.400000114E272 P273 R274 R339E272-G276 WeakPolarHBondContact OE2-CA 3.33Å; P273-G276 WeakPolarHBondContact O-CA 3.29Å; P273-G276 PolarHBondContact O-N 2.81Å; R274-G276 VanDerWaalsContact C-N 3.34Å; G276-R339 PolarHBondContact O-NE 2.91Å; G276-R339 PolarHBondContact O-NH2 2.83Å; G276-R339 VanDerWaalsContact O-NH2 3.09Å
277C96.7Very high91.2Very high3 Ų338.5 Ų38.52%0.0219%0.193CC..  trans-152.3148.3175.6-161.70000108.9R249 P273 P333 R339 G368R249-C277 PolarHBondContact NH1-O 2.7Å; P273-C277 HydrophobicContact CG-CB 4.03Å; C277-P333 HydrophobicContact CB-CG 4.13Å; C277-R339 HydrophobicContact CB-CG 4.33Å; C277-G368 VanDerWaalsContact SG-C 3.54Å
278Q97.3Very high89.2Confident1 Ų147.1 Ų47.11%0.00523%0.23CC..  trans-63.2153.5162.7-177.8-86.72.100109.1P163 E223 Y369 S370P163-Q278 HydrophobicContact CG-CG 4.05Å; P163-Q278 PolarHBondContact O-NE2 3.05Å; P163-Q278 VanDerWaalsContact O-NE2 3.13Å; E223-Q278 HydrophobicContact CB-CB 4.38Å; E223-Q278 HydrophobicContact CB-CG 4.44Å; Q278-Y369 HydrophobicContact CB-CD1 3.37Å; Q278-Y369 HydrophobicContact CB-CD2 4.35Å; Q278-Y369 HydrophobicContact CB-CE1 3.32Å; Q278-Y369 HydrophobicContact CB-CE2 4.31Å; Q278-Y369 HydrophobicContact CB-CG 3.88Å; Q278-Y369 HydrophobicContact CG-CD1 3.94Å; Q278-Y369 HydrophobicContact CG-CE1 4.11Å; Q278-S370 PolarHBondContact NE2-O 2.78Å; Q278-S370 VanDerWaalsContact NE2-O 3.13Å; Q278-S370 VanDerWaalsContact OE1-N 3.13Å; Q278-S370 PolarHBondContact OE1-O 2.8Å
279G97.5Very high86.6Confident0 Ų044.6 Ų44.60%022%0.22CC..  trans-149164.4169.500000109.4S331G279-S331 CarbonylContact C-O 3.56Å; G279-S331 WeakPolarHBondContact CA-O 3.24Å
280S98.6Very high83.6Confident0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-116.6143.3-171.9172.20000112H165 Y330 S331 S370 D371 L372H165-S280 PolarHBondContact CE1-OG 3.21Å; S280-Y330 CarbonylContact O-C 3.09Å; S280-Y330 VanDerWaalsContact O-CA 3.28Å; S280-Y330 WeakPolarHBondContact O-CA 3.24Å; S280-Y330 WeakPolarHBondContact O-CD2 3.42Å; S280-Y330 WeakPolarHBondContact O-CE2 3.3Å; S280-S331 PolarHBondContact N-O 3.3Å; S280-S331 PolarHBondContact O-N 2.85Å; S280-S370 VanDerWaalsContact CB-O 3.3Å; S280-S370 WeakPolarHBondContact CB-O 3.29Å; S280-D371 PolarHBondContact OG-OD1 3.27Å; S280-L372 WeakPolarHBondContact OG-CB 3.39Å; S280-L372 PolarHBondContact OG-N 3.09Å
281V98.1Very high80.7Confident0 Ų054.8 Ų54.80%027%0.265CS..EExtended strand (participates in β ladder)trans-125.1140174.172.70000110H165 Q225 A227 Y239 L328 L329 Y330H165-V281 PolarHBondContact CE1-O 3.28Å; H165-V281 PolarHBondContact NE2-O 3.31Å; Q225-V281 HydrophobicContact CB-CG1 3.97Å; A227-V281 HydrophobicContact CB-CG1 4.01Å; A227-V281 HydrophobicContact CB-CG2 4.28Å; Y239-V281 HydrophobicContact CD1-CG1 4.22Å; Y239-V281 HydrophobicContact CD1-CG2 4.1Å; Y239-V281 HydrophobicContact CE1-CB 4.32Å; Y239-V281 HydrophobicContact CE1-CG1 4.2Å; Y239-V281 HydrophobicContact CE1-CG2 3.81Å; V281-L328 HydrophobicContact CG2-CB 4.39Å; V281-L328 HydrophobicContact CG2-CD2 3.87Å; V281-L329 VanDerWaalsContact CA-O 3.31Å; V281-L329 WeakPolarHBondContact CA-O 3.28Å; V281-L329 WeakPolarHBondContact CG2-O 3.2Å; V281-Y330 HydrophobicContact CB-CD2 3.8Å; V281-Y330 HydrophobicContact CB-CE2 4.37Å; V281-Y330 HydrophobicContact CG2-CD2 4.22Å
282V97.3Very high77.7Confident11 Ų1159.4 Ų59.47%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-133.5153.1167.3-67.50000109.5L328 L329 L372 V374V282-L328 WeakPolarHBondContact O-CA 3.36Å; V282-L329 HydrophobicContact CG2-CB 3.88Å; V282-L329 PolarHBondContact N-O 3.09Å; V282-L329 PolarHBondContact O-N 2.54Å; V282-L372 HydrophobicContact CG1-CB 3.78Å; V282-L372 HydrophobicContact CG2-CB 4.02Å; V282-L372 HydrophobicContact CG2-CD1 4.17Å; V282-V374 HydrophobicContact CB-CG2 3.69Å; V282-V374 HydrophobicContact CG1-CG2 4.25Å; V282-V374 HydrophobicContact CG2-CG2 3.63Å
283S94.9Very high74.7Confident37 Ų3765 Ų6526%0.25933%0.331SS..EExtended strand (participates in β ladder)trans-104.4146.6167.956.50000110.9E228 W327E228-S283 WeakPolarHBondContact O-CB 3.48Å; E228-S283 PolarHBondContact O-OG 3.45Å; S283-W327 VanDerWaalsContact CA-O 3.3Å; S283-W327 WeakPolarHBondContact CA-O 3.49Å
284T90.5Very high71.8Confident22 Ų2272.9 Ų72.914%0.13537%0.367CS..EExtended strand (participates in β ladder)trans-145.6155.8178.1-1770000110.9T326 W327 F381T284-T326 CarbonylContact O-C 3.57Å; T284-T326 VanDerWaalsContact O-CA 3.23Å; T284-T326 WeakPolarHBondContact O-CA 3.38Å; T284-T326 WeakPolarHBondContact O-CG2 3.08Å; T284-W327 HydrophobicContact CG2-CB 4.29Å; T284-W327 PolarHBondContact N-O 3.26Å; T284-W327 PolarHBondContact O-N 3.21Å; T284-F381 HydrophobicContact CG2-CE1 3.66Å; T284-F381 HydrophobicContact CG2-CZ 3.73Å
285R83.4Confident69.1Low133 Ų13370.6 Ų70.650%0.50237%0.371SS..  trans-101.4124.4167.4-59.9-173.8-179.7170.61.8108.5G325R285-G325 VanDerWaalsContact CA-O 3.25Å; R285-G325 WeakPolarHBondContact CA-O 3.14Å; R285-G325 WeakPolarHBondContact CB-O 3.24Å; R285-G325 WeakPolarHBondContact CG-O 3.44Å
286P70Confident66.9Low36 Ų3672.6 Ų72.623%0.23438%0.377CS..  trans-64.5139.8178.529.2-33.1000109.8K288 G325 W327P286-K288 PolarHBondContact O-N 2.95Å; P286-G325 WeakPolarHBondContact CD-O 3.29Å; P286-W327 HydrophobicContact CB-CD2 4.26Å; P286-W327 HydrophobicContact CB-CE3 4.37Å; P286-W327 HydrophobicContact CB-CH2 3.68Å; P286-W327 HydrophobicContact CB-CZ2 3.56Å; P286-W327 HydrophobicContact CB-CZ3 4.09Å; P286-W327 HydrophobicContact CG-CD2 4.25Å; P286-W327 HydrophobicContact CG-CH2 4.31Å; P286-W327 HydrophobicContact CG-CZ2 3.66Å
287L64.7Low64.3Low42 Ų4278.4 Ų78.422%0.2242%0.417CS..  trans-72.8115.6171.7-66.6169.6000108M289 L314 G379L287-M289 PolarHBondContact O-N 3.29Å; L287-M289 VanDerWaalsContact O-N 3.14Å; L287-L314 HydrophobicContact CB-CD1 4.24Å; L287-L314 HydrophobicContact CD1-CD1 3.84Å; L287-L314 HydrophobicContact CD2-CB 4.17Å; L287-L314 HydrophobicContact CD2-CD1 4.25Å; L287-L314 HydrophobicContact CG-CD1 4.34Å; L287-G379 VanDerWaalsContact CD1-N 3.28Å
288K52.8Low61.5Low183 Ų18381.7 Ų81.780%0.79645%0.451SS*.  trans-69.8109.9166.5-77.2-175.9179.9174.90107.7P286 P290P286-K288 PolarHBondContact O-N 2.95Å; K288-P290 WeakPolarHBondContact O-CD 3.33Å
289M38.7Very low58.8Low104 Ų10490.8 Ų90.851%0.51249%0.491SS..  trans-64.1126.9164.2-79.2-69.3-17700108.4L287 Y291 L314L287-M289 PolarHBondContact O-N 3.29Å; L287-M289 VanDerWaalsContact O-N 3.14Å; M289-Y291 PolarHBondContact O-N 3.33Å; M289-L314 HydrophobicContact SD-CD2 4.47Å
290P31.4Very low56Low62 Ų6297.4 Ų97.440%0.40353%0.526SS..  trans-68.8105.8171.425.3-29.4000108.2K288 T292K288-P290 WeakPolarHBondContact O-CD 3.33Å; P290-T292 PolarHBondContact O-N 3.35Å; P290-T292 PolarHBondContact O-OG1 2.9Å
291Y34.7Very low53.4Low221 Ų221103.7 Ų103.787%0.86757%0.565SS**  trans-53.8106.5167.5-69.4-83.5000108.5M289M289-Y291 PolarHBondContact O-N 3.33Å
292T29.4Very low50.4Low108 Ų108109.7 Ų109.766%0.66360%0.603SS**  trans-104.179.5168.3110000107P290P290-T292 PolarHBondContact O-N 3.35Å; P290-T292 PolarHBondContact O-OG1 2.9Å
293C29.7Very low47.8Very low120 Ų120114.1 Ų114.181%0.81164%0.635SS**  trans-98.891.7157.4-70.80000106.9
294Q33.6Very low45Very low172 Ų172118.4 Ų118.480%0.80466%0.659SS**  trans-119.593.5153.9-82.4-171.7-16.500106.9S296Q294-S296 PolarHBondContact O-N 3.24Å; Q294-S296 VanDerWaalsContact O-N 3.13Å
295D31.3Very low42.2Very low169 Ų169127.1 Ų127.190%0.90470%0.699SS**  trans-57.6110.4155.3-86.9-35.9000107.4
296S41.8Very low39.8Very low97 Ų97129.8 Ų129.868%0.67871%0.714SS**  trans-140.9100.9168.7-64.90000107.2Q294Q294-S296 PolarHBondContact O-N 3.24Å; Q294-S296 VanDerWaalsContact O-N 3.13Å
297S38Very low38Very low126 Ų126134.1 Ų134.188%0.88174%0.743SS**  trans-31.9132168.955.90000115
298G38.1Very low36.5Very low72 Ų72137.9 Ų137.974%0.74277%0.771SS**  trans153.992.7157.200000116.8
299K40.5Very low35.8Very low191 Ų191136.7 Ų136.783%0.8377%0.772SS**  trans40.4121.1142.3-70.6-173.2175.3-179.30121.1
300D39.3Very low35.8Very low139 Ų139138.7 Ų138.774%0.74378%0.782SS**  trans63.5111.3133.5-51.8-32.2000119.3
301V43.1Very low36.1Very low133 Ų133143.7 Ų143.781%0.80681%0.805SS**  170.6134.5122.2164.20000109.3
302P34.6Very low36.1Very low125 Ų125140.5 Ų140.581%0.81279%0.792SS**  trans-94.4129.1178.434.2-27.7000111.5
303S42.6Very low36.4Very low104 Ų104140.7 Ų140.773%0.72780%0.797SS**  trans-166.7134152.453.60000114.3
304T37.2Very low37.1Very low127 Ų127137.3 Ų137.378%0.77977%0.771SS**  trans70.5100.1155.512.50000119.6K306T304-K306 PolarHBondContact O-N 2.85Å
305Q31.6Very low37.2Very low206 Ų206137.5 Ų137.596%0.96377%0.772SS**  trans-55.2111.6157.6-80.2171.1-40.700110.8
306K32.7Very low37.9Very low189 Ų189134.3 Ų134.382%0.82276%0.758SS**  trans-131.2128.5157.6-93.5-177.6173.6-179.60107T304 P308T304-K306 PolarHBondContact O-N 2.85Å; K306-P308 WeakPolarHBondContact O-CD 3.4Å
307C32.2Very low37.6Very low126 Ų126138.1 Ų138.185%0.85177%0.765SS**  trans-53.8117.4176.9-73.40000110.8L309C307-L309 PolarHBondContact O-N 3.36Å
308P32.3Very low37.2Very low122 Ų122140.4 Ų140.479%0.79276%0.762SS**  trans-93.771.9-178.335.5-29.5000109.7K306K306-P308 WeakPolarHBondContact O-CD 3.4Å
309L39Very low36.9Very low157 Ų157139.7 Ų139.782%0.82276%0.755SS**  trans-132.96.6176.5-79175.9000115C307C307-L309 PolarHBondContact O-N 3.36Å
310M39.9Very low36.3Very low146 Ų146136.3 Ų136.372%0.71976%0.763SS**SBendtrans-122.79-166.2-82.3-167.614800117.8
311D35.9Very low35.9Very low168 Ų168132.9 Ų132.990%0.89876%0.76SS**  trans-141.530.8-175.7-143.810.7000115.3
312R35.5Very low35.3Very low153 Ų153130.5 Ų130.558%0.57775%0.754SS**  trans-113.297.8179.5-139.6176.2-174.8-177.32110.6L314R312-L314 PolarHBondContact O-N 2.84Å; R312-L314 VanDerWaalsContact O-N 3.07Å
313S36.6Very low35.6Very low112 Ų112129.7 Ų129.778%0.78375%0.749SS**  trans-59.4104.6162.445.40000108.8
314L42.6Very low35.9Very low49 Ų49130 Ų13026%0.25775%0.751SS.*  trans-83.8111.6176.5-74.3160.3000108.6L287 M289 R312L287-L314 HydrophobicContact CB-CD1 4.24Å; L287-L314 HydrophobicContact CD1-CD1 3.84Å; L287-L314 HydrophobicContact CD2-CB 4.17Å; L287-L314 HydrophobicContact CD2-CD1 4.25Å; L287-L314 HydrophobicContact CG-CD1 4.34Å; M289-L314 HydrophobicContact SD-CD2 4.47Å; R312-L314 PolarHBondContact O-N 2.84Å; R312-L314 VanDerWaalsContact O-N 3.07Å
315E37.4Very low37.5Very low176 Ų176124.9 Ų124.982%0.82272%0.724SS**  trans-71.2130.4177.4-66.2-179.7164.700110.7
316V44.5Very low40.1Very low102 Ų102115.9 Ų115.962%0.61868%0.683SS**  trans-88.1102.4168.91790000107E318V316-E318 PolarHBondContact O-N 2.99Å
317E35.2Very low42.8Very low177 Ų177108.7 Ų108.783%0.82765%0.651SS**  trans-70.5117.4172.4-84.5-162.9154.400111G319E317-G319 PolarHBondContact O-N 3.23Å
318E31.5Very low45.8Very low175 Ų175102.7 Ų102.782%0.81861%0.61SS**  trans-84.686.9159.9-80-171.3153.900109.4V316V316-E318 PolarHBondContact O-N 2.99Å
319G30.7Very low48.9Very low56 Ų5697.1 Ų97.158%0.57757%0.574SS**  trans-113.8126.4176.300000112.5E317 G321E317-G319 PolarHBondContact O-N 3.23Å; G319-G321 PolarHBondContact O-N 2.9Å; G319-G321 VanDerWaalsContact O-N 3.11Å
320A29.1Very low51.7Low121 Ų12189.7 Ų89.7100%154%0.535SS*.SBendtrans-68.6100.4178.100000112
321G30Very low54.4Low67 Ų6782.7 Ų82.769%0.69150%0.501SS*.SBendtrans16389174.700000111.6G319G319-G321 PolarHBondContact O-N 2.9Å; G319-G321 VanDerWaalsContact O-N 3.11Å
322A31Very low57.3Low83 Ų8374.9 Ų74.969%0.68646%0.458SS*.  trans51.695-173.300000115.3S324A322-S324 PolarHBondContact O-N 2.85Å
323P40.6Very low60.3Low108 Ų10867.6 Ų67.670%0.70143%0.431SS*.  trans-78.371.6168.932.6-29.7000109.7G325P323-G325 PolarHBondContact O-N 3.42Å
324S49.6Very low63.1Low109 Ų10963.5 Ų63.576%0.76240%0.401SS*.  trans-74.3102.5157.860.10000107.2A322A322-S324 PolarHBondContact O-N 2.85Å
325G69.8Low65.5Low21 Ų2164 Ų6422%0.21640%0.404CS..  trans174.424.2-175.900000116.8R285 P286 P323R285-G325 VanDerWaalsContact CA-O 3.25Å; R285-G325 WeakPolarHBondContact CA-O 3.14Å; R285-G325 WeakPolarHBondContact CB-O 3.24Å; R285-G325 WeakPolarHBondContact CG-O 3.44Å; P286-G325 WeakPolarHBondContact CD-O 3.29Å; P323-G325 PolarHBondContact O-N 3.42Å
326T85.8Confident68.2Low17 Ų1762.7 Ų62.710%0.10440%0.396CS..  trans-125.4127.6164.7-56.90000108.5V229 T284 P350V229-T326 HydrophobicContact CG1-CG2 4.45Å; T284-T326 CarbonylContact O-C 3.57Å; T284-T326 VanDerWaalsContact O-CA 3.23Å; T284-T326 WeakPolarHBondContact O-CA 3.38Å; T284-T326 WeakPolarHBondContact O-CG2 3.08Å; T326-P350 WeakPolarHBondContact O-CD 3.5Å; T326-P350 VanDerWaalsContact O-CG 3.26Å; T326-P350 WeakPolarHBondContact O-CG 3.42Å
327W90.5Very high70.5Confident37 Ų3766 Ų6614%0.1440%0.402CS..EExtended strand (participates in β ladder)trans-106.9151177.7-55.7-11.8000108.9S283 T284 P286 N347 Q348 L407S283-W327 VanDerWaalsContact CA-O 3.3Å; S283-W327 WeakPolarHBondContact CA-O 3.49Å; T284-W327 HydrophobicContact CG2-CB 4.29Å; T284-W327 PolarHBondContact N-O 3.26Å; T284-W327 PolarHBondContact O-N 3.21Å; P286-W327 HydrophobicContact CB-CD2 4.26Å; P286-W327 HydrophobicContact CB-CE3 4.37Å; P286-W327 HydrophobicContact CB-CH2 3.68Å; P286-W327 HydrophobicContact CB-CZ2 3.56Å; P286-W327 HydrophobicContact CB-CZ3 4.09Å; P286-W327 HydrophobicContact CG-CD2 4.25Å; P286-W327 HydrophobicContact CG-CH2 4.31Å; P286-W327 HydrophobicContact CG-CZ2 3.66Å; W327-N347 CarbonylContact C-O 3.57Å; W327-N347 VanDerWaalsContact CA-O 3.3Å; W327-N347 WeakPolarHBondContact CA-O 3.22Å; W327-Q348 HydrophobicContact CD2-CG 4Å; W327-Q348 HydrophobicContact CG-CB 4.36Å; W327-Q348 HydrophobicContact CG-CG 4.08Å; W327-Q348 HydrophobicContact CZ2-CG 4.31Å; W327-Q348 VanDerWaalsContact CZ2-NE2 3.31Å; W327-L407 HydrophobicContact CH2-CD1 3.71Å; W327-L407 HydrophobicContact CH2-CD2 4.27Å; W327-L407 HydrophobicContact CZ3-CD1 3.79Å; W327-L407 HydrophobicContact CZ3-CD2 4.08Å; W327-L407 HydrophobicContact CZ3-CG 4.28Å
328L95.3Very high73.3Confident0 Ų064.6 Ų64.60%039%0.393CS..EExtended strand (participates in β ladder)trans-95.3139.9161-69.3173.8000109.1A227 V229 Y239 V281 V282 Y346 N347 P350 W356A227-L328 HydrophobicContact CB-CD2 3.69Å; V229-L328 HydrophobicContact CG1-CD1 4.33Å; V229-L328 HydrophobicContact CG1-CD2 3.46Å; V229-L328 VanDerWaalsContact CG1-CD2 3.46Å; V229-L328 HydrophobicContact CG1-CG 3.86Å; Y239-L328 HydrophobicContact CD1-CD1 3.89Å; Y239-L328 HydrophobicContact CD1-CD2 4.31Å; Y239-L328 HydrophobicContact CD2-CD1 3.89Å; Y239-L328 HydrophobicContact CE1-CD1 4.05Å; Y239-L328 HydrophobicContact CE2-CD1 4.03Å; Y239-L328 HydrophobicContact CG-CD1 3.8Å; V281-L328 HydrophobicContact CG2-CB 4.39Å; V281-L328 HydrophobicContact CG2-CD2 3.87Å; V282-L328 WeakPolarHBondContact O-CA 3.36Å; L328-Y346 CarbonylContact O-C 3.59Å; L328-Y346 VanDerWaalsContact O-CA 3.24Å; L328-Y346 WeakPolarHBondContact O-CA 3.38Å; L328-N347 HydrophobicContact CB-CB 4.34Å; L328-N347 PolarHBondContact N-O 3.12Å; L328-N347 PolarHBondContact O-N 2.64Å; L328-P350 HydrophobicContact CD1-CB 3.75Å; L328-P350 HydrophobicContact CD1-CG 4.43Å; L328-P350 HydrophobicContact CG-CB 3.87Å; L328-P350 HydrophobicContact CG-CG 4.04Å; L328-W356 HydrophobicContact CB-CH2 3.61Å; L328-W356 HydrophobicContact CB-CZ2 4.35Å; L328-W356 HydrophobicContact CB-CZ3 4.14Å; L328-W356 HydrophobicContact CD1-CH2 4.15Å; L328-W356 HydrophobicContact CD1-CZ2 4.11Å
329L96.1Very high76.4Confident6 Ų658.6 Ų58.63%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-116.3134167.1-151.478.7000108.4V281 V282 I344 Y345 L372 F381 F401 V406V281-L329 VanDerWaalsContact CA-O 3.31Å; V281-L329 WeakPolarHBondContact CA-O 3.28Å; V281-L329 WeakPolarHBondContact CG2-O 3.2Å; V282-L329 HydrophobicContact CG2-CB 3.88Å; V282-L329 PolarHBondContact N-O 3.09Å; V282-L329 PolarHBondContact O-N 2.54Å; L329-I344 HydrophobicContact CD1-CG2 3.77Å; L329-I344 HydrophobicContact CD2-CG2 3.72Å; L329-I344 HydrophobicContact CG-CG2 3.59Å; L329-Y345 CarbonylContact C-O 3.6Å; L329-Y345 WeakPolarHBondContact CA-O 3.3Å; L329-L372 HydrophobicContact CB-CD1 4.44Å; L329-L372 HydrophobicContact CD2-CD1 4.39Å; L329-F381 HydrophobicContact CD2-CB 4.31Å; L329-F381 HydrophobicContact CD2-CD1 3.7Å; L329-F381 HydrophobicContact CD2-CD2 4.28Å; L329-F381 HydrophobicContact CD2-CE1 4.08Å; L329-F381 HydrophobicContact CD2-CG 3.81Å; L329-F401 HydrophobicContact CD2-CE2 3.94Å; L329-F401 HydrophobicContact CD2-CZ 4.08Å; L329-V406 HydrophobicContact CD1-CG1 4.26Å
330Y97.6Very high79.6Confident0 Ų058.5 Ų58.50%035%0.348CS..EExtended strand (participates in β ladder)trans-132.2131.8-176.7-171.3-107.2000112R249 L270 S280 V281 H332 I344 Y345 W356R249-Y330 WeakPolarHBondContact CD-OH 3.26Å; R249-Y330 HydrophobicContact CG-CE1 4.23Å; R249-Y330 PolarHBondContact NE-OH 3.03Å; R249-Y330 PolarHBondContact NH2-OH 2.85Å; L270-Y330 HydrophobicContact CD1-CD1 4.05Å; L270-Y330 HydrophobicContact CD1-CE1 4.23Å; L270-Y330 HydrophobicContact CD2-CD1 3.88Å; L270-Y330 HydrophobicContact CD2-CE1 4.39Å; S280-Y330 CarbonylContact O-C 3.09Å; S280-Y330 VanDerWaalsContact O-CA 3.28Å; S280-Y330 WeakPolarHBondContact O-CA 3.24Å; S280-Y330 WeakPolarHBondContact O-CD2 3.42Å; S280-Y330 WeakPolarHBondContact O-CE2 3.3Å; V281-Y330 HydrophobicContact CB-CD2 3.8Å; V281-Y330 HydrophobicContact CB-CE2 4.37Å; V281-Y330 HydrophobicContact CG2-CD2 4.22Å; Y330-H332 HydrophobicContact CD1-CB 4.44Å; Y330-H332 HydrophobicContact CE1-CB 3.69Å; Y330-H332 AromaticContact CE1-CD2 3.97Å; Y330-H332 AromaticContact CE1-CG 3.47Å; Y330-H332 VanDerWaalsContact CE1-CG 3.47Å; Y330-H332 AromaticContact CE1-ND1 3.5Å; Y330-I344 CarbonylContact O-C 3.48Å; Y330-I344 WeakPolarHBondContact O-CA 3.05Å; Y330-Y345 PolarHBondContact N-O 3.04Å; Y330-Y345 PolarHBondContact O-N 3.16Å; Y330-W356 VanDerWaalsContact CB-CZ3 3.44Å; Y330-W356 HydrophobicContact CG-CH2 4.38Å
331S98.1Very high82.8Confident0 Ų055 Ų550%031%0.312CS..EExtended strand (participates in β ladder)trans-115.2127.1175.966.90000111.4G279 S280 G343 S370 L372G279-S331 CarbonylContact C-O 3.56Å; G279-S331 WeakPolarHBondContact CA-O 3.24Å; S280-S331 PolarHBondContact N-O 3.3Å; S280-S331 PolarHBondContact O-N 2.85Å; S331-G343 WeakPolarHBondContact CA-O 3.4Å; S331-S370 PolarHBondContact O-OG 2.8Å; S331-S370 PolarHBondContact OG-OG 2.97Å; S331-L372 WeakPolarHBondContact OG-CG 3.48Å
332H96.7Very high86Confident3 Ų351.8 Ų51.81%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-161.9166.7168.877.8165.7000112.1C271 Y330 T334 G343 Y345C271-H332 PolarHBondContact O-CE1 2.92Å; Y330-H332 HydrophobicContact CD1-CB 4.44Å; Y330-H332 HydrophobicContact CE1-CB 3.69Å; Y330-H332 AromaticContact CE1-CD2 3.97Å; Y330-H332 AromaticContact CE1-CG 3.47Å; Y330-H332 VanDerWaalsContact CE1-CG 3.47Å; Y330-H332 AromaticContact CE1-ND1 3.5Å; H332-T334 PolarHBondContact O-N 2.93Å; H332-G343 PolarHBondContact N-O 3.44Å; H332-G343 PolarHBondContact O-N 2.8Å; H332-Y345 AromaticContact CD2-CD2 3.95Å; H332-Y345 AromaticContact CD2-CE2 3.24Å; H332-Y345 WeakPolarHBondContact CD2-CE2 3.4Å; H332-Y345 AromaticContact CD2-CZ 3.91Å; H332-Y345 AromaticContact NE2-CE2 3.14Å; H332-Y345 WeakPolarHBondContact NE2-CE2 3.44Å; H332-Y345 AromaticContact NE2-CZ 3.31Å; H332-Y345 VanDerWaalsContact NE2-CZ 3.31Å; H332-Y345 PolarHBondContact NE2-OH 2.95Å; H332-Y345 VanDerWaalsContact NE2-OH 3.16Å
333P97.2Very high89.2Confident0 Ų047.8 Ų47.80%025%0.247CC..EExtended strand (participates in β ladder)trans-63.6128.3172.1-2435.7000112.5C277 S367C277-P333 HydrophobicContact CB-CG 4.13Å; P333-S367 VanDerWaalsContact CG-O 3.28Å; P333-S367 WeakPolarHBondContact CG-O 3.44Å
334T95.5Very high91.8Very high27 Ų2742.7 Ų42.717%0.16621%0.213CC..  trans-85.4-13.8-173.460.40000114H332 M340 N341 Y345 P359 I361H332-T334 PolarHBondContact O-N 2.93Å; T334-M340 PolarHBondContact N-O 3.34Å; T334-N341 WeakPolarHBondContact CB-O 3.38Å; T334-N341 WeakPolarHBondContact CG2-O 3.2Å; T334-N341 PolarHBondContact N-O 3.27Å; T334-N341 WeakPolarHBondContact OG1-CB 3.33Å; T334-N341 PolarHBondContact OG1-O 2.71Å; T334-Y345 HydrophobicContact CG2-CE2 3.97Å; T334-Y345 WeakPolarHBondContact CG2-OH 3.22Å; T334-P359 HydrophobicContact CG2-CB 3.67Å; T334-P359 HydrophobicContact CG2-CG 3.76Å; T334-I361 HydrophobicContact CG2-CD1 3.93Å
335N93.8Very high94.1Very high58 Ų5837.9 Ų37.931%0.3118%0.179SC..  trans-84124.5-176.5-174.4-67000112.6K337 K338 M340N335-K337 PolarHBondContact O-N 3.1Å; N335-K337 VanDerWaalsContact O-N 3.07Å; N335-K337 WeakPolarHBondContact OD1-CA 3.42Å; N335-K337 WeakPolarHBondContact OD1-CB 3.22Å; N335-K337 PolarHBondContact OD1-N 3.43Å; N335-K338 WeakPolarHBondContact CB-O 3.25Å; N335-K338 VanDerWaalsContact O-O 3.07Å; N335-K338 PolarHBondContact OD1-N 3.26Å; N335-M340 HydrophobicContact CB-CB 3.81Å; N335-M340 PolarHBondContact N-O 3Å
336K92.9Very high95.2Very high150 Ų15038.3 Ų38.365%0.65217%0.174SC*.SBendtrans-64.5-13.6-177.9-62.6-178.1-179.5-177.40115.7C271C271-K336 HydrophobicContact CB-CG 4.13Å
337K92.9Very high95.6Very high172 Ų17237.6 Ų37.675%0.74817%0.169SC*.SBendtrans-110.8-40.9-173.6-65.6-177.7-179.8176.80112.6N335N335-K337 PolarHBondContact O-N 3.1Å; N335-K337 VanDerWaalsContact O-N 3.07Å; N335-K337 WeakPolarHBondContact OD1-CA 3.42Å; N335-K337 WeakPolarHBondContact OD1-CB 3.22Å; N335-K337 PolarHBondContact OD1-N 3.43Å
338K94.8Very high95.6Very high147 Ų14739.3 Ų39.364%0.63918%0.179SC*.SBendtrans-136.3160.1-172.3-65.2-172.9177.1-172.90110.5N335 M340N335-K338 WeakPolarHBondContact CB-O 3.25Å; N335-K338 VanDerWaalsContact O-O 3.07Å; N335-K338 PolarHBondContact OD1-N 3.26Å; K338-M340 VanDerWaalsContact C-N 3.27Å; K338-M340 HydrophobicContact CB-CG 3.76Å; K338-M340 PolarHBondContact O-N 3.2Å
339R96.9Very high95.4Very high48 Ų4842.4 Ų42.418%0.18120%0.196CC..SBendtrans-7082171.5-76.3179.2-177.4-172.8-1.6110.1P273 G276 C277 S367 E392P273-R339 HydrophobicContact CG-CG 4.13Å; G276-R339 PolarHBondContact O-NE 2.91Å; G276-R339 PolarHBondContact O-NH2 2.83Å; G276-R339 VanDerWaalsContact O-NH2 3.09Å; C277-R339 HydrophobicContact CB-CG 4.33Å; R339-S367 CarbonylContact C-O 3.54Å; R339-S367 WeakPolarHBondContact CA-O 3.42Å; R339-S367 VanDerWaalsContact CB-O 3.24Å; R339-S367 WeakPolarHBondContact CB-O 3.5Å; R339-S367 PolarHBondContact O-N 3.07Å; R339-E392 VanDerWaalsContact CD-OE1 3.29Å; R339-E392 WeakPolarHBondContact CD-OE1 3.45Å; R339-E392 IonicContact NH1-OE1 3.77Å
340M96.6Very high95.2Very high54 Ų5442.5 Ų42.527%0.26620%0.196SC..EExtended strand (participates in β ladder)trans-141.4148.8-174.3-61.3-74.8-60.200110.3T334 N335 K338 G365 P366T334-M340 PolarHBondContact N-O 3.34Å; N335-M340 HydrophobicContact CB-CB 3.81Å; N335-M340 PolarHBondContact N-O 3Å; K338-M340 VanDerWaalsContact C-N 3.27Å; K338-M340 HydrophobicContact CB-CG 3.76Å; K338-M340 PolarHBondContact O-N 3.2Å; M340-G365 CarbonylContact C-O 3.56Å; M340-G365 VanDerWaalsContact CA-O 3.27Å; M340-G365 WeakPolarHBondContact CA-O 3.33Å; M340-G365 VanDerWaalsContact CE-C 3.44Å; M340-P366 HydrophobicContact CE-CG 4.4Å; M340-P366 VanDerWaalsContact SD-CA 3.55Å; M340-P366 HydrophobicContact SD-CB 4.2Å; M340-P366 HydrophobicContact SD-CG 3.91Å
341N96.7Very high94.8Very high47 Ų4744.1 Ų44.125%0.25121%0.205SC..EExtended strand (participates in β ladder)trans56.487.3175.9-58.3-29.1000111.8T334 G343 I361 N363 G365T334-N341 WeakPolarHBondContact CB-O 3.38Å; T334-N341 WeakPolarHBondContact CG2-O 3.2Å; T334-N341 PolarHBondContact N-O 3.27Å; T334-N341 WeakPolarHBondContact OG1-CB 3.33Å; T334-N341 PolarHBondContact OG1-O 2.71Å; N341-G343 PolarHBondContact O-N 2.84Å; N341-I361 HydrophobicContact CB-CG2 4.42Å; N341-N363 CarbonylContact C-O 3.57Å; N341-N363 WeakPolarHBondContact CA-O 3.45Å; N341-G365 PolarHBondContact N-O 2.88Å; N341-G365 PolarHBondContact OD1-N 3.12Å
342L97.8Very high94.5Very high0 Ų047.9 Ų47.90%022%0.223CC..EExtended strand (participates in β ladder)trans-67.1121.6174.7-170.667.8000109.6L362 N363 F385L342-L362 HydrophobicContact CD2-CD2 4.05Å; L342-L362 PolarHBondContact O-N 3.12Å; L342-N363 HydrophobicContact CB-CB 4.16Å; L342-N363 PolarHBondContact N-O 3.09Å; L342-N363 PolarHBondContact O-N 3.35Å; L342-F385 HydrophobicContact CD2-CB 3.45Å; L342-F385 VanDerWaalsContact CD2-CB 3.45Å; L342-F385 HydrophobicContact CD2-CD1 3.84Å; L342-F385 HydrophobicContact CD2-CD2 3.57Å; L342-F385 HydrophobicContact CD2-CE1 4.49Å; L342-F385 HydrophobicContact CD2-CE2 4.27Å; L342-F385 HydrophobicContact CD2-CG 3.32Å
343G97Very high93.9Very high0 Ų049.5 Ų49.50%023%0.233CC..EExtended strand (participates in β ladder)trans-116.4145.1-179.900000111.7S331 H332 N341 W360S331-G343 WeakPolarHBondContact CA-O 3.4Å; H332-G343 PolarHBondContact N-O 3.44Å; H332-G343 PolarHBondContact O-N 2.8Å; N341-G343 PolarHBondContact O-N 2.84Å; G343-W360 CarbonylContact C-O 3.59Å; G343-W360 WeakPolarHBondContact CA-O 3.36Å
344I97.2Very high93.3Very high0 Ų055.2 Ų55.20%026%0.263CS..EExtended strand (participates in β ladder)trans-102.1121.2170.1-53.8-55.8000107.9L329 Y330 P359 W360 L362 L372 F401 V406L329-I344 HydrophobicContact CD1-CG2 3.77Å; L329-I344 HydrophobicContact CD2-CG2 3.72Å; L329-I344 HydrophobicContact CG-CG2 3.59Å; Y330-I344 CarbonylContact O-C 3.48Å; Y330-I344 WeakPolarHBondContact O-CA 3.05Å; I344-P359 CarbonylContact O-C 3.58Å; I344-P359 WeakPolarHBondContact O-CA 3.48Å; I344-W360 HydrophobicContact CB-CE3 3.99Å; I344-W360 HydrophobicContact CG1-CE3 3.81Å; I344-W360 HydrophobicContact CG1-CZ3 4.15Å; I344-W360 PolarHBondContact N-O 3.13Å; I344-W360 PolarHBondContact O-N 2.86Å; I344-L362 HydrophobicContact CD1-CB 4.43Å; I344-L362 HydrophobicContact CD1-CD2 4.1Å; I344-L362 HydrophobicContact CG1-CB 4.01Å; I344-L362 HydrophobicContact CG1-CD2 4.38Å; I344-L372 HydrophobicContact CD1-CD2 4.14Å; I344-F401 HydrophobicContact CD1-CZ 4.12Å; I344-F401 HydrophobicContact CG1-CE2 4.44Å; I344-F401 HydrophobicContact CG1-CZ 4.06Å; I344-F401 HydrophobicContact CG2-CE2 4.28Å; I344-F401 HydrophobicContact CG2-CZ 4.39Å; I344-V406 HydrophobicContact CG2-CG1 4.07Å; I344-V406 HydrophobicContact CG2-CG2 4.04Å
345Y96.2Very high93.2Very high9 Ų959.6 Ų59.64%0.03528%0.277CS..EExtended strand (participates in β ladder)trans-105.7148.8174.5-60.6-109.1000108.1L270 L329 Y330 H332 T334 S357 P359L270-Y345 HydrophobicContact CD2-CD1 3.78Å; L270-Y345 HydrophobicContact CD2-CD2 4.3Å; L270-Y345 HydrophobicContact CD2-CE1 4.02Å; L270-Y345 HydrophobicContact CD2-CG 3.9Å; L329-Y345 CarbonylContact C-O 3.6Å; L329-Y345 WeakPolarHBondContact CA-O 3.3Å; Y330-Y345 PolarHBondContact N-O 3.04Å; Y330-Y345 PolarHBondContact O-N 3.16Å; H332-Y345 AromaticContact CD2-CD2 3.95Å; H332-Y345 AromaticContact CD2-CE2 3.24Å; H332-Y345 WeakPolarHBondContact CD2-CE2 3.4Å; H332-Y345 AromaticContact CD2-CZ 3.91Å; H332-Y345 AromaticContact NE2-CE2 3.14Å; H332-Y345 WeakPolarHBondContact NE2-CE2 3.44Å; H332-Y345 AromaticContact NE2-CZ 3.31Å; H332-Y345 VanDerWaalsContact NE2-CZ 3.31Å; H332-Y345 PolarHBondContact NE2-OH 2.95Å; H332-Y345 VanDerWaalsContact NE2-OH 3.16Å; T334-Y345 HydrophobicContact CG2-CE2 3.97Å; T334-Y345 WeakPolarHBondContact CG2-OH 3.22Å; Y345-S357 WeakPolarHBondContact CD1-O 3.39Å; Y345-P359 HydrophobicContact CD1-CB 4.27Å; Y345-P359 HydrophobicContact CD2-CB 4.1Å; Y345-P359 HydrophobicContact CE1-CB 3.91Å; Y345-P359 HydrophobicContact CE1-CG 4.02Å; Y345-P359 HydrophobicContact CE2-CB 3.64Å; Y345-P359 HydrophobicContact CE2-CG 4.36Å; Y345-P359 HydrophobicContact CG-CB 4.38Å
346Y94.1Very high93.2Very high30 Ų3057.2 Ų57.212%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-123.7153.8168.873.8-95.8000110.9L328 Q348 W356 S357 V406 L407 D410L328-Y346 CarbonylContact O-C 3.59Å; L328-Y346 VanDerWaalsContact O-CA 3.24Å; L328-Y346 WeakPolarHBondContact O-CA 3.38Å; Y346-Q348 HydrophobicContact CD2-CG 3.66Å; Y346-Q348 HydrophobicContact CE2-CG 3.66Å; Y346-W356 CarbonylContact O-C 3.12Å; Y346-W356 WeakPolarHBondContact O-CA 3.46Å; Y346-S357 WeakPolarHBondContact CD1-OG 3.49Å; Y346-S357 PolarHBondContact N-OG 3.3Å; Y346-S357 PolarHBondContact O-N 2.64Å; Y346-V406 HydrophobicContact CD1-CG1 3.92Å; Y346-L407 HydrophobicContact CD1-CD2 4.22Å; Y346-L407 HydrophobicContact CD2-CD2 4.39Å; Y346-L407 HydrophobicContact CE1-CD2 3.92Å; Y346-L407 HydrophobicContact CE2-CD2 4.13Å; Y346-L407 HydrophobicContact CG-CD2 4.44Å; Y346-D410 WeakPolarHBondContact CE1-OD2 3.31Å; Y346-D410 PolarHBondContact OH-OD2 2.84Å
347N93.9Very high93.3Very high1 Ų150.9 Ų50.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-136.8110.5171.4-177.4-20.4000108.9W327 L328 N349 E352 Y355 W356W327-N347 CarbonylContact C-O 3.57Å; W327-N347 VanDerWaalsContact CA-O 3.3Å; W327-N347 WeakPolarHBondContact CA-O 3.22Å; L328-N347 HydrophobicContact CB-CB 4.34Å; L328-N347 PolarHBondContact N-O 3.12Å; L328-N347 PolarHBondContact O-N 2.64Å; N347-N349 VanDerWaalsContact C-N 3.28Å; N347-N349 WeakPolarHBondContact OD1-CA 3.29Å; N347-N349 PolarHBondContact OD1-N 2.92Å; N347-N349 PolarHBondContact OD1-O 2.87Å; N347-E352 PolarHBondContact ND2-O 3.14Å; N347-E352 VanDerWaalsContact ND2-O 3.12Å; N347-Y355 WeakPolarHBondContact OD1-CB 3.49Å; N347-W356 HydrophobicContact CB-CD2 3.73Å; N347-W356 HydrophobicContact CB-CE3 3.64Å; N347-W356 HydrophobicContact CB-CG 4.31Å; N347-W356 HydrophobicContact CB-CH2 4.17Å; N347-W356 HydrophobicContact CB-CZ2 4.22Å; N347-W356 HydrophobicContact CB-CZ3 3.88Å
348Q90.8Very high93.3Very high73 Ų7350.7 Ų50.734%0.34123%0.233SC..SBendtrans-82.3-6.5-179.2-55.6175.6-49.400113.4W327 Y346 Y355W327-Q348 HydrophobicContact CD2-CG 4Å; W327-Q348 HydrophobicContact CG-CB 4.36Å; W327-Q348 HydrophobicContact CG-CG 4.08Å; W327-Q348 HydrophobicContact CZ2-CG 4.31Å; W327-Q348 VanDerWaalsContact CZ2-NE2 3.31Å; Y346-Q348 HydrophobicContact CD2-CG 3.66Å; Y346-Q348 HydrophobicContact CE2-CG 3.66Å; Q348-Y355 HydrophobicContact CB-CE1 4.11Å
349N90.6Very high93.3Very high66 Ų6645.5 Ų45.535%0.35321%0.214SC..SBendtrans-130.475.8174.7-170.3-5000109.8N347 L351 E352 Y355N347-N349 VanDerWaalsContact C-N 3.28Å; N347-N349 WeakPolarHBondContact OD1-CA 3.29Å; N347-N349 PolarHBondContact OD1-N 2.92Å; N347-N349 PolarHBondContact OD1-O 2.87Å; N349-L351 PolarHBondContact O-N 2.9Å; N349-E352 HydrophobicContact CB-CB 4.38Å; N349-E352 HydrophobicContact CB-CG 4.47Å; N349-E352 WeakPolarHBondContact ND2-CG 3.43Å; N349-E352 PolarHBondContact O-N 3.1Å; N349-Y355 HydrophobicContact CB-CD1 3.71Å; N349-Y355 HydrophobicContact CB-CD2 4.4Å; N349-Y355 HydrophobicContact CB-CE1 4.04Å; N349-Y355 HydrophobicContact CB-CG 3.91Å
350P91.1Very high93.3Very high7 Ų745.3 Ų45.35%0.04521%0.214CC..THydrogen-bonded Turntrans-55.6-20.8-166.7-31.338000116.9V229 T326 L328V229-P350 HydrophobicContact CB-CB 3.85Å; V229-P350 HydrophobicContact CB-CG 4.23Å; V229-P350 HydrophobicContact CG1-CB 3.74Å; V229-P350 HydrophobicContact CG1-CG 4.01Å; V229-P350 HydrophobicContact CG2-CB 4.04Å; T326-P350 WeakPolarHBondContact O-CD 3.5Å; T326-P350 VanDerWaalsContact O-CG 3.26Å; T326-P350 WeakPolarHBondContact O-CG 3.42Å; L328-P350 HydrophobicContact CD1-CB 3.75Å; L328-P350 HydrophobicContact CD1-CG 4.43Å; L328-P350 HydrophobicContact CG-CB 3.87Å; L328-P350 HydrophobicContact CG-CG 4.04Å
351L90.4Very high93.2Very high35 Ų3544.7 Ų44.718%0.18321%0.211CC..THydrogen-bonded Turntrans-85.8-14179.4-55.4179.8000112.9V229 P230 K232 F253 N349V229-L351 HydrophobicContact CG2-CD2 4.31Å; P230-L351 WeakPolarHBondContact O-CD1 3.1Å; K232-L351 HydrophobicContact CB-CD1 4.36Å; K232-L351 HydrophobicContact CG-CD1 3.44Å; K232-L351 VanDerWaalsContact CG-CD1 3.44Å; K232-L351 VanDerWaalsContact N-CD1 3.35Å; F253-L351 HydrophobicContact CD1-CD2 4.19Å; F253-L351 HydrophobicContact CE1-CD2 3.96Å; N349-L351 PolarHBondContact O-N 2.9Å
352E90.6Very high93.2Very high78 Ų7843.5 Ų43.536%0.36421%0.205SC..  trans-98.6104.3177.7-62.3-58.6146.900109.1K232 N347 N349 N354 Y355K232-E352 IonicContact NZ-OE1 3.9Å; K232-E352 PolarHBondContact NZ-OE1 2.95Å; N347-E352 PolarHBondContact ND2-O 3.14Å; N347-E352 VanDerWaalsContact ND2-O 3.12Å; N349-E352 HydrophobicContact CB-CB 4.38Å; N349-E352 HydrophobicContact CB-CG 4.47Å; N349-E352 WeakPolarHBondContact ND2-CG 3.43Å; N349-E352 PolarHBondContact O-N 3.1Å; E352-N354 PolarHBondContact O-N 3.11Å; E352-N354 VanDerWaalsContact O-N 3.14Å; E352-Y355 VanDerWaalsContact O-CB 3.24Å; E352-Y355 WeakPolarHBondContact O-CB 3.28Å; E352-Y355 PolarHBondContact O-N 2.85Å; E352-Y355 VanDerWaalsContact O-N 3.17Å
353V84Confident93.1Very high37 Ų3744 Ų4422%0.22421%0.208CC..THydrogen-bonded Turntrans-60.8-24.7-174.9-62.10000113.6E251 F253 N267 Q269 Y355E251-V353 WeakPolarHBondContact OE2-CB 3.5Å; E251-V353 WeakPolarHBondContact OE2-CG1 3.38Å; F253-V353 HydrophobicContact CE2-CG1 4.3Å; N267-V353 PolarHBondContact ND2-O 2.94Å; Q269-V353 PolarHBondContact OE1-O 2.83Å; V353-Y355 VanDerWaalsContact C-N 3.3Å; V353-Y355 PolarHBondContact O-N 2.83Å
354N86.6Confident93.1Very high120 Ų12053.4 Ų53.464%0.64224%0.243SC*.THydrogen-bonded Turntrans-94.721.8-178.8-63.7-39.7000113.2Q269 E352Q269-N354 PolarHBondContact OE1-O 2.87Å; E352-N354 PolarHBondContact O-N 3.11Å; E352-N354 VanDerWaalsContact O-N 3.14Å
355Y92.2Very high93.1Very high119 Ų11954.2 Ų54.247%0.46725%0.251SS..  trans-111.517.1-173.4-147.7-92.6000113.2N347 Q348 N349 E352 V353N347-Y355 WeakPolarHBondContact OD1-CB 3.49Å; Q348-Y355 HydrophobicContact CB-CE1 4.11Å; N349-Y355 HydrophobicContact CB-CD1 3.71Å; N349-Y355 HydrophobicContact CB-CD2 4.4Å; N349-Y355 HydrophobicContact CB-CE1 4.04Å; N349-Y355 HydrophobicContact CB-CG 3.91Å; E352-Y355 VanDerWaalsContact O-CB 3.24Å; E352-Y355 WeakPolarHBondContact O-CB 3.28Å; E352-Y355 PolarHBondContact O-N 2.85Å; E352-Y355 VanDerWaalsContact O-N 3.17Å; V353-Y355 VanDerWaalsContact C-N 3.3Å; V353-Y355 PolarHBondContact O-N 2.83Å
356W94.9Very high93.2Very high8 Ų854.3 Ų54.33%0.0325%0.253CS..BIsolated β-bridgetrans-73.8139.1171.5-68.197.1000111.2Y239 E251 N267 Q269 L270 L328 Y330 Y346 N347Y239-W356 WeakPolarHBondContact OH-CZ2 3.16Å; E251-W356 PolarHBondContact OE1-NE1 3.1Å; N267-W356 PolarHBondContact ND2-NE1 3.11Å; Q269-W356 HydrophobicContact CB-CB 4.03Å; Q269-W356 PolarHBondContact NE2-O 3.36Å; L270-W356 HydrophobicContact CD1-CD2 4.16Å; L270-W356 HydrophobicContact CD1-CG 4.46Å; L270-W356 HydrophobicContact CD1-CZ2 4.03Å; L270-W356 HydrophobicContact CD2-CD2 4.12Å; L270-W356 HydrophobicContact CD2-CE3 4.47Å; L270-W356 HydrophobicContact CD2-CG 4.15Å; L270-W356 HydrophobicContact CG-CD2 4.34Å; L270-W356 HydrophobicContact CG-CG 4.24Å; L328-W356 HydrophobicContact CB-CH2 3.61Å; L328-W356 HydrophobicContact CB-CZ2 4.35Å; L328-W356 HydrophobicContact CB-CZ3 4.14Å; L328-W356 HydrophobicContact CD1-CH2 4.15Å; L328-W356 HydrophobicContact CD1-CZ2 4.11Å; Y330-W356 VanDerWaalsContact CB-CZ3 3.44Å; Y330-W356 HydrophobicContact CG-CH2 4.38Å; Y346-W356 CarbonylContact O-C 3.12Å; Y346-W356 WeakPolarHBondContact O-CA 3.46Å; N347-W356 HydrophobicContact CB-CD2 3.73Å; N347-W356 HydrophobicContact CB-CE3 3.64Å; N347-W356 HydrophobicContact CB-CG 4.31Å; N347-W356 HydrophobicContact CB-CH2 4.17Å; N347-W356 HydrophobicContact CB-CZ2 4.22Å; N347-W356 HydrophobicContact CB-CZ3 3.88Å
357S94.1Very high93.4Very high17 Ų1752.9 Ų52.912%0.11925%0.247CC..  trans-67.5175.3175.873.90000112.7Y345 Y346Y345-S357 WeakPolarHBondContact CD1-O 3.39Å; Y346-S357 WeakPolarHBondContact CD1-OG 3.49Å; Y346-S357 PolarHBondContact N-OG 3.3Å; Y346-S357 PolarHBondContact O-N 2.64Å
358R93.7Very high93.6Very high169 Ų16952.9 Ų52.964%0.63825%0.247SC*.PPolyproline II helixtrans-70.3149.1157.4-70.2-178.5177.3172.62.1109W360R358-W360 PolarHBondContact O-N 2.84Å
359P94.9Very high93.9Very high37 Ų3750.2 Ų50.224%0.2423%0.234CC..PPolyproline II helixtrans-72128.8-179.626-31.5000111.6T334 I344 Y345 I361T334-P359 HydrophobicContact CG2-CB 3.67Å; T334-P359 HydrophobicContact CG2-CG 3.76Å; I344-P359 CarbonylContact O-C 3.58Å; I344-P359 WeakPolarHBondContact O-CA 3.48Å; Y345-P359 HydrophobicContact CD1-CB 4.27Å; Y345-P359 HydrophobicContact CD2-CB 4.1Å; Y345-P359 HydrophobicContact CE1-CB 3.91Å; Y345-P359 HydrophobicContact CE1-CG 4.02Å; Y345-P359 HydrophobicContact CE2-CB 3.64Å; Y345-P359 HydrophobicContact CE2-CG 4.36Å; Y345-P359 HydrophobicContact CG-CB 4.38Å; P359-I361 HydrophobicContact CB-CD1 4.19Å; P359-I361 HydrophobicContact CG-CD1 4.24Å
360W95.5Very high94.3Very high45 Ų4547.1 Ų47.117%0.1722%0.218CC..EExtended strand (participates in β ladder)trans-74.8122158.1174.567.5000108.7G343 I344 R358 L362 F401 E405 V406 C409G343-W360 CarbonylContact C-O 3.59Å; G343-W360 WeakPolarHBondContact CA-O 3.36Å; I344-W360 HydrophobicContact CB-CE3 3.99Å; I344-W360 HydrophobicContact CG1-CE3 3.81Å; I344-W360 HydrophobicContact CG1-CZ3 4.15Å; I344-W360 PolarHBondContact N-O 3.13Å; I344-W360 PolarHBondContact O-N 2.86Å; R358-W360 PolarHBondContact O-N 2.84Å; W360-L362 HydrophobicContact CH2-CD1 3.67Å; W360-L362 HydrophobicContact CZ3-CB 4.35Å; W360-L362 HydrophobicContact CZ3-CD1 3.62Å; W360-L362 PolarHBondContact O-N 3.31Å; W360-L362 VanDerWaalsContact O-N 3.17Å; W360-F401 HydrophobicContact CE3-CD2 4.5Å; W360-F401 HydrophobicContact CH2-CB 3.67Å; W360-F401 HydrophobicContact CH2-CD1 4.47Å; W360-F401 HydrophobicContact CH2-CD2 4.26Å; W360-F401 AromaticContact CH2-CG 3.9Å; W360-F401 HydrophobicContact CH2-CG 3.9Å; W360-F401 HydrophobicContact CZ3-CB 3.92Å; W360-F401 HydrophobicContact CZ3-CD1 4.09Å; W360-F401 AromaticContact CZ3-CD2 3.64Å; W360-F401 HydrophobicContact CZ3-CD2 3.64Å; W360-F401 HydrophobicContact CZ3-CE2 4.13Å; W360-F401 AromaticContact CZ3-CG 3.61Å; W360-F401 HydrophobicContact CZ3-CG 3.61Å; W360-E405 HydrophobicContact CH2-CB 4.36Å; W360-E405 HydrophobicContact CZ2-CB 4.14Å; W360-V406 HydrophobicContact CB-CG1 4.46Å; W360-V406 HydrophobicContact CE3-CG2 3.83Å; W360-V406 HydrophobicContact CZ3-CG2 4.17Å; W360-C409 HydrophobicContact CB-CB 4.15Å; W360-C409 HydrophobicContact CG-CB 4.43Å
361I95.7Very high94.7Very high41 Ų4146.8 Ų46.821%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-82.4100.2-173.7-55.2-59.2000110.1T334 N341 P359 R364T334-I361 HydrophobicContact CG2-CD1 3.93Å; N341-I361 HydrophobicContact CB-CG2 4.42Å; P359-I361 HydrophobicContact CB-CD1 4.19Å; P359-I361 HydrophobicContact CG-CD1 4.24Å; I361-R364 HydrophobicContact CG2-CG 3.72Å
362L96.1Very high95.1Very high22 Ų2245.2 Ų45.212%0.11521%0.207CC..EExtended strand (participates in β ladder)trans-68-40.2176.6-178.667000112L342 I344 W360 C383 F385 C399 F401L342-L362 HydrophobicContact CD2-CD2 4.05Å; L342-L362 PolarHBondContact O-N 3.12Å; I344-L362 HydrophobicContact CD1-CB 4.43Å; I344-L362 HydrophobicContact CD1-CD2 4.1Å; I344-L362 HydrophobicContact CG1-CB 4.01Å; I344-L362 HydrophobicContact CG1-CD2 4.38Å; W360-L362 HydrophobicContact CH2-CD1 3.67Å; W360-L362 HydrophobicContact CZ3-CB 4.35Å; W360-L362 HydrophobicContact CZ3-CD1 3.62Å; W360-L362 PolarHBondContact O-N 3.31Å; W360-L362 VanDerWaalsContact O-N 3.17Å; L362-C383 HydrophobicContact CD2-CB 3.64Å; L362-F385 HydrophobicContact CD2-CD1 4.21Å; L362-F385 HydrophobicContact CD2-CE1 4Å; L362-F385 HydrophobicContact CG-CE1 4.48Å; L362-C399 HydrophobicContact CD1-CB 4.08Å; L362-C399 HydrophobicContact CD2-CB 4.44Å; L362-F401 HydrophobicContact CD1-CD1 3.93Å; L362-F401 HydrophobicContact CD1-CE1 4.3Å; L362-F401 HydrophobicContact CD2-CE1 4.27Å
363N96.7Very high95.4Very high11 Ų1141.9 Ų41.96%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-139.1127.4178-174.870.9000111.2R10 N341 L342 S367 F385R10-N363 PolarHBondContact NH1-OD1 3.26Å; R10-N363 PolarHBondContact NH2-OD1 3.06Å; N341-N363 CarbonylContact C-O 3.57Å; N341-N363 WeakPolarHBondContact CA-O 3.45Å; L342-N363 HydrophobicContact CB-CB 4.16Å; L342-N363 PolarHBondContact N-O 3.09Å; L342-N363 PolarHBondContact O-N 3.35Å; N363-S367 PolarHBondContact ND2-OG 3.12Å; N363-F385 HydrophobicContact CB-CD2 4.45Å; N363-F385 HydrophobicContact CB-CE2 3.61Å; N363-F385 HydrophobicContact CB-CZ 3.99Å
364R96.7Very high95.9Very high197 Ų19741.5 Ų41.574%0.74319%0.191SC*.EExtended strand (participates in β ladder)trans-91.2138.4172.5-63.8-176.9-172.6-78-1.6109.6I361I361-R364 HydrophobicContact CG2-CG 3.72Å
365G97.1Very high96.3Very high16 Ų1635.8 Ų35.817%0.16516%0.16CC..EExtended strand (participates in β ladder)trans107.7-167.8-178.700000113.5M340 N341 S367M340-G365 CarbonylContact C-O 3.56Å; M340-G365 VanDerWaalsContact CA-O 3.27Å; M340-G365 WeakPolarHBondContact CA-O 3.33Å; M340-G365 VanDerWaalsContact CE-C 3.44Å; N341-G365 PolarHBondContact N-O 2.88Å; N341-G365 PolarHBondContact OD1-N 3.12Å; G365-S367 PolarHBondContact O-N 2.86Å; G365-S367 PolarHBondContact O-OG 3.07Å
366P98Very high95.7Very high11 Ų1136.6 Ų36.67%0.07117%0.169CC..EExtended strand (participates in β ladder)trans-51.7127.1175-26.433.9000111.8M340 C387 G388 R390 H391 E392M340-P366 HydrophobicContact CE-CG 4.4Å; M340-P366 VanDerWaalsContact SD-CA 3.55Å; M340-P366 HydrophobicContact SD-CB 4.2Å; M340-P366 HydrophobicContact SD-CG 3.91Å; P366-C387 WeakPolarHBondContact O-CA 3.42Å; P366-C387 WeakPolarHBondContact O-CB 3.22Å; P366-G388 WeakPolarHBondContact CD-O 3.24Å; P366-R390 WeakPolarHBondContact CG-O 3.1Å; P366-H391 VanDerWaalsContact CB-C 3.49Å; P366-E392 HydrophobicContact CB-CB 4.33Å
367S98Very high94.8Very high0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-155.4133.1178.7-54.10000111.3P333 R339 N363 G365 E386P333-S367 VanDerWaalsContact CG-O 3.28Å; P333-S367 WeakPolarHBondContact CG-O 3.44Å; R339-S367 CarbonylContact C-O 3.54Å; R339-S367 WeakPolarHBondContact CA-O 3.42Å; R339-S367 VanDerWaalsContact CB-O 3.24Å; R339-S367 WeakPolarHBondContact CB-O 3.5Å; R339-S367 PolarHBondContact O-N 3.07Å; N363-S367 PolarHBondContact ND2-OG 3.12Å; G365-S367 PolarHBondContact O-N 2.86Å; G365-S367 PolarHBondContact O-OG 3.07Å; S367-E386 VanDerWaalsContact CA-O 3.24Å; S367-E386 WeakPolarHBondContact CA-O 3.48Å
368G97.5Very high94.2Very high1 Ų142 Ų421%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-115-126-172.100000113C277 E386C277-G368 VanDerWaalsContact SG-C 3.54Å; G368-E386 PolarHBondContact N-O 2.71Å
369Y98.5Very high93.8Very high18 Ų1834.6 Ų34.67%0.07118%0.183CC..EExtended strand (participates in β ladder)trans-65.3150.5-179.2-74.1-131.8000109.5I26 P163 E223 Q278 F385 E386I26-Y369 HydrophobicContact CD1-CD1 3.63Å; I26-Y369 HydrophobicContact CD1-CD2 4.39Å; I26-Y369 HydrophobicContact CD1-CE1 3.62Å; I26-Y369 HydrophobicContact CD1-CE2 4.37Å; I26-Y369 HydrophobicContact CD1-CG 4.08Å; I26-Y369 HydrophobicContact CG2-CD1 4.34Å; P163-Y369 HydrophobicContact CG-CD1 3.78Å; P163-Y369 HydrophobicContact CG-CE1 3.66Å; E223-Y369 VanDerWaalsContact CD-OH 3.27Å; E223-Y369 VanDerWaalsContact OE1-CE1 3.23Å; E223-Y369 WeakPolarHBondContact OE1-CE1 3.46Å; E223-Y369 VanDerWaalsContact OE1-CZ 3.25Å; E223-Y369 PolarHBondContact OE1-OH 3.14Å; E223-Y369 PolarHBondContact OE2-OH 2.62Å; Q278-Y369 HydrophobicContact CB-CD1 3.37Å; Q278-Y369 HydrophobicContact CB-CD2 4.35Å; Q278-Y369 HydrophobicContact CB-CE1 3.32Å; Q278-Y369 HydrophobicContact CB-CE2 4.31Å; Q278-Y369 HydrophobicContact CB-CG 3.88Å; Q278-Y369 HydrophobicContact CG-CD1 3.94Å; Q278-Y369 HydrophobicContact CG-CE1 4.11Å; Y369-F385 WeakPolarHBondContact O-CA 3.5Å; Y369-E386 WeakPolarHBondContact CB-OE2 3.29Å; Y369-E386 PolarHBondContact N-OE2 2.84Å; Y369-E386 PolarHBondContact O-N 2.8Å
370S98.7Very high93.7Very high0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-149.4150.7-178.562.30000110.8Q278 S280 S331 L384Q278-S370 PolarHBondContact NE2-O 2.78Å; Q278-S370 VanDerWaalsContact NE2-O 3.13Å; Q278-S370 VanDerWaalsContact OE1-N 3.13Å; Q278-S370 PolarHBondContact OE1-O 2.8Å; S280-S370 VanDerWaalsContact CB-O 3.3Å; S280-S370 WeakPolarHBondContact CB-O 3.29Å; S331-S370 PolarHBondContact O-OG 2.8Å; S331-S370 PolarHBondContact OG-OG 2.97Å; S370-L384 CarbonylContact C-O 3.47Å; S370-L384 VanDerWaalsContact CA-O 3.25Å; S370-L384 WeakPolarHBondContact CA-O 3.37Å
371D98.8Very high93.7Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-134.7130.8173.3-151.728.3000111.3A28 L29 G164 H165 S280 C383 L384A28-D371 WeakPolarHBondContact CA-OD2 3.46Å; L29-D371 HydrophobicContact CB-CB 4.13Å; L29-D371 PolarHBondContact N-OD2 2.87Å; G164-D371 WeakPolarHBondContact CA-OD1 3.43Å; G164-D371 VanDerWaalsContact CA-OD2 3.31Å; G164-D371 WeakPolarHBondContact CA-OD2 3.15Å; H165-D371 IonicContact CE1-OD1 2.71Å; H165-D371 IonicContact CG-OD1 2.75Å; H165-D371 PolarHBondContact N-OD2 3.12Å; H165-D371 IonicContact ND1-OD1 3.11Å; H165-D371 PolarHBondContact ND1-OD1 3.42Å; H165-D371 IonicContact ND1-OD2 3.09Å; H165-D371 PolarHBondContact ND1-OD2 3.04Å; S280-D371 PolarHBondContact OG-OD1 3.27Å; D371-C383 CarbonylContact O-C 3.56Å; D371-C383 WeakPolarHBondContact O-CA 3.33Å; D371-L384 PolarHBondContact N-O 3.28Å; D371-L384 PolarHBondContact O-N 3.28Å
372L98.5Very high93.7Very high2 Ų229.7 Ų29.71%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-98.7148.5-179.1-70.8169.6000110.2H165 S280 V282 L329 S331 I344 A382 C383 F401H165-L372 PolarHBondContact CE1-O 3.23Å; S280-L372 WeakPolarHBondContact OG-CB 3.39Å; S280-L372 PolarHBondContact OG-N 3.09Å; V282-L372 HydrophobicContact CG1-CB 3.78Å; V282-L372 HydrophobicContact CG2-CB 4.02Å; V282-L372 HydrophobicContact CG2-CD1 4.17Å; L329-L372 HydrophobicContact CB-CD1 4.44Å; L329-L372 HydrophobicContact CD2-CD1 4.39Å; S331-L372 WeakPolarHBondContact OG-CG 3.48Å; I344-L372 HydrophobicContact CD1-CD2 4.14Å; L372-A382 CarbonylContact C-O 3.59Å; L372-A382 VanDerWaalsContact CA-O 3.31Å; L372-A382 WeakPolarHBondContact CA-O 3.47Å; L372-C383 HydrophobicContact CD2-CB 3.73Å; L372-F401 HydrophobicContact CD2-CZ 4.1Å
373A97.7Very high93.8Very high9 Ų928.6 Ų28.67%0.07415%0.153CC..EExtended strand (participates in β ladder)trans-136.4146.9166.700000110.3L29 F38 F381 A382L29-A373 HydrophobicContact CD2-CB 3.75Å; L29-A373 HydrophobicContact CG-CB 4.02Å; F38-A373 HydrophobicContact CE1-CB 4.23Å; A373-F381 WeakPolarHBondContact O-CA 3.46Å; A373-A382 HydrophobicContact CB-CB 4.41Å; A373-A382 PolarHBondContact N-O 3.46Å; A373-A382 PolarHBondContact O-N 2.66Å
374V95.1Very high93.9Very high28 Ų2828.1 Ų28.117%0.1715%0.15CC..EExtended strand (participates in β ladder)trans-97.6128.7176.2-176.40000108.9Y31 V282 E376 F381Y31-V374 WeakPolarHBondContact CD1-O 3.3Å; V282-V374 HydrophobicContact CB-CG2 3.69Å; V282-V374 HydrophobicContact CG1-CG2 4.25Å; V282-V374 HydrophobicContact CG2-CG2 3.63Å; V374-E376 HydrophobicContact CG1-CG 4.29Å; V374-E376 PolarHBondContact O-N 3.32Å; V374-F381 HydrophobicContact CG1-CE1 4.4Å; V374-F381 HydrophobicContact CG2-CD1 4.16Å; V374-F381 HydrophobicContact CG2-CE1 4.22Å
375V93.3Very high94Very high1 Ų118.8 Ų18.81%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-93.389.9168.3-177.10000107.3Y31 F38 M63 Q378 L380 L400Y31-V375 HydrophobicContact CE1-CB 4.34Å; Y31-V375 HydrophobicContact CE1-CG1 3.98Å; F38-V375 HydrophobicContact CE1-CG2 4.33Å; F38-V375 HydrophobicContact CE2-CG2 4.38Å; F38-V375 HydrophobicContact CZ-CG2 3.54Å; M63-V375 HydrophobicContact CE-CG1 4.01Å; M63-V375 HydrophobicContact CE-CG2 4.06Å; M63-V375 HydrophobicContact SD-CG1 3.64Å; M63-V375 HydrophobicContact SD-CG2 4.18Å; V375-Q378 HydrophobicContact CG1-CB 4.26Å; V375-Q378 HydrophobicContact CG1-CG 4.31Å; V375-Q378 PolarHBondContact O-N 2.89Å; V375-L380 HydrophobicContact CB-CB 3.98Å; V375-L380 WeakPolarHBondContact CB-O 3.37Å; V375-L380 HydrophobicContact CG2-CB 4.35Å; V375-L380 PolarHBondContact N-O 2.87Å; V375-L400 HydrophobicContact CG2-CD2 4.42Å
376E80.2Confident94.1Very high136 Ų13618 Ų1864%0.63611%0.107SC*.THydrogen-bonded Turntrans-54.6142.7-175.4-63.4-174.7165.200112.3V374 Q378V374-E376 HydrophobicContact CG1-CG 4.29Å; V374-E376 PolarHBondContact O-N 3.32Å; E376-Q378 VanDerWaalsContact C-N 3.26Å; E376-Q378 PolarHBondContact O-N 2.81Å
377G77.1Confident94.1Very high57 Ų5717.5 Ų17.559%0.58810%0.104SC*.THydrogen-bonded Turntrans78.9-5.9176.700000116
378Q80Confident94.1Very high82 Ų8218 Ų1838%0.38311%0.109SC..THydrogen-bonded Turntrans-118.4-5-177.4-59.9-17524.700114.8V375 E376 L380V375-Q378 HydrophobicContact CG1-CB 4.26Å; V375-Q378 HydrophobicContact CG1-CG 4.31Å; V375-Q378 PolarHBondContact O-N 2.89Å; E376-Q378 VanDerWaalsContact C-N 3.26Å; E376-Q378 PolarHBondContact O-N 2.81Å; Q378-L380 HydrophobicContact CB-CB 4.36Å; Q378-L380 HydrophobicContact CB-CD1 4.15Å; Q378-L380 HydrophobicContact CB-CG 4.1Å; Q378-L380 PolarHBondContact O-N 2.92Å
379G85.5Confident94Very high12 Ų1226.2 Ų26.212%0.12415%0.147CC..THydrogen-bonded Turntrans65.119.7-175.600000112.8L287 S402 D403L287-G379 VanDerWaalsContact CD1-N 3.28Å; G379-S402 WeakPolarHBondContact O-CA 3.22Å; G379-D403 PolarHBondContact O-N 3.33Å
380L92.5Very high93.9Very high16 Ų1635 Ų358%0.08418%0.18CC..EExtended strand (participates in β ladder)trans-105.3145.1-179.3-66.6178.4000110.4M63 V375 Q378 F401M63-L380 HydrophobicContact CE-CD1 3.77Å; V375-L380 HydrophobicContact CB-CB 3.98Å; V375-L380 WeakPolarHBondContact CB-O 3.37Å; V375-L380 HydrophobicContact CG2-CB 4.35Å; V375-L380 PolarHBondContact N-O 2.87Å; Q378-L380 HydrophobicContact CB-CB 4.36Å; Q378-L380 HydrophobicContact CB-CD1 4.15Å; Q378-L380 HydrophobicContact CB-CG 4.1Å; Q378-L380 PolarHBondContact O-N 2.92Å; L380-F401 WeakPolarHBondContact CA-O 3.5Å
381F95.2Very high93.7Very high4 Ų440.3 Ų40.32%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-124.6152.1173.3-53.3-89.2000108.9T284 L329 A373 V374 L400 F401 D403T284-F381 HydrophobicContact CG2-CE1 3.66Å; T284-F381 HydrophobicContact CG2-CZ 3.73Å; L329-F381 HydrophobicContact CD2-CB 4.31Å; L329-F381 HydrophobicContact CD2-CD1 3.7Å; L329-F381 HydrophobicContact CD2-CD2 4.28Å; L329-F381 HydrophobicContact CD2-CE1 4.08Å; L329-F381 HydrophobicContact CD2-CG 3.81Å; A373-F381 WeakPolarHBondContact O-CA 3.46Å; V374-F381 HydrophobicContact CG1-CE1 4.4Å; V374-F381 HydrophobicContact CG2-CD1 4.16Å; V374-F381 HydrophobicContact CG2-CE1 4.22Å; F381-L400 CarbonylContact O-C 3.59Å; F381-L400 WeakPolarHBondContact O-CA 3.46Å; F381-F401 HydrophobicContact CB-CD2 4.08Å; F381-F401 HydrophobicContact CB-CE1 4.13Å; F381-F401 HydrophobicContact CB-CE2 3.54Å; F381-F401 HydrophobicContact CB-CZ 3.57Å; F381-F401 HydrophobicContact CD2-CD2 4.22Å; F381-F401 AromaticContact CD2-CE2 3.94Å; F381-F401 HydrophobicContact CD2-CE2 3.94Å; F381-F401 AromaticContact CG-CE2 3.99Å; F381-F401 HydrophobicContact CG-CE2 3.99Å; F381-F401 HydrophobicContact CG-CZ 4.39Å; F381-F401 PolarHBondContact N-O 2.91Å; F381-F401 PolarHBondContact O-N 2.94Å; F381-D403 HydrophobicContact CE2-CB 3.82Å; F381-D403 HydrophobicContact CZ-CB 4.48Å
382A97.1Very high93.6Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-117.4146.3169.800000109.8L29 F38 L372 A373 F398 C399 L400L29-A382 HydrophobicContact CD2-CB 3.71Å; F38-A382 HydrophobicContact CD1-CB 4.48Å; F38-A382 HydrophobicContact CE1-CB 3.55Å; F38-A382 HydrophobicContact CZ-CB 3.82Å; L372-A382 CarbonylContact C-O 3.59Å; L372-A382 VanDerWaalsContact CA-O 3.31Å; L372-A382 WeakPolarHBondContact CA-O 3.47Å; A373-A382 HydrophobicContact CB-CB 4.41Å; A373-A382 PolarHBondContact N-O 3.46Å; A373-A382 PolarHBondContact O-N 2.66Å; A382-F398 HydrophobicContact CB-CE2 3.56Å; A382-F398 HydrophobicContact CB-CZ 3.83Å; A382-C399 CarbonylContact C-O 3.59Å; A382-C399 WeakPolarHBondContact CA-O 3.28Å; A382-L400 HydrophobicContact CB-CD2 3.83Å
383C98.4Very high93.5Very high0 Ų043.3 Ų43.30%022%0.219CC..EExtended strand (participates in β ladder)trans-131.9126.8168.8-1720000110L362 D371 L372 F385 F398 C399 F401L362-C383 HydrophobicContact CD2-CB 3.64Å; D371-C383 CarbonylContact O-C 3.56Å; D371-C383 WeakPolarHBondContact O-CA 3.33Å; L372-C383 HydrophobicContact CD2-CB 3.73Å; C383-F385 HydrophobicContact CB-CD1 4.38Å; C383-F398 CarbonylContact O-C 3.51Å; C383-F398 WeakPolarHBondContact O-CA 3.33Å; C383-C399 PolarHBondContact N-O 2.85Å; C383-C399 PolarHBondContact O-N 2.83Å; C383-F401 HydrophobicContact CB-CE1 3.9Å
384L98.8Very high93.4Very high0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-103.5124.2169.3-173.571.7000108.4L13 P27 A28 L29 A40 S370 D371 I396 D397 F398L13-L384 HydrophobicContact CD1-CD1 3.7Å; L13-L384 HydrophobicContact CG-CD1 4.32Å; P27-L384 HydrophobicContact CB-CB 4.31Å; P27-L384 HydrophobicContact CB-CD2 3.64Å; P27-L384 HydrophobicContact CB-CG 3.69Å; A28-L384 WeakPolarHBondContact O-CD2 3.44Å; L29-L384 HydrophobicContact CB-CB 3.93Å; L29-L384 HydrophobicContact CB-CD2 4.29Å; L29-L384 HydrophobicContact CD1-CB 4.33Å; L29-L384 HydrophobicContact CD1-CD2 4.49Å; L29-L384 HydrophobicContact CD2-CB 4.09Å; L29-L384 HydrophobicContact CG-CB 4.34Å; A40-L384 HydrophobicContact CB-CD1 4.23Å; A40-L384 HydrophobicContact CB-CD2 3.77Å; S370-L384 CarbonylContact C-O 3.47Å; S370-L384 VanDerWaalsContact CA-O 3.25Å; S370-L384 WeakPolarHBondContact CA-O 3.37Å; D371-L384 PolarHBondContact N-O 3.28Å; D371-L384 PolarHBondContact O-N 3.28Å; L384-I396 HydrophobicContact CD1-CG2 3.54Å; L384-I396 HydrophobicContact CD2-CG2 4.32Å; L384-I396 HydrophobicContact CG-CG2 3.63Å; L384-D397 CarbonylContact C-O 3.54Å; L384-D397 WeakPolarHBondContact CA-O 3.3Å; L384-F398 HydrophobicContact CD1-CB 4.04Å
385F98.7Very high93.6Very high1 Ų145.3 Ų45.30%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-151.6150.6-17163.1-84.1000114.1L342 L362 N363 Y369 C383 C387 I396 D397 C399L342-F385 HydrophobicContact CD2-CB 3.45Å; L342-F385 VanDerWaalsContact CD2-CB 3.45Å; L342-F385 HydrophobicContact CD2-CD1 3.84Å; L342-F385 HydrophobicContact CD2-CD2 3.57Å; L342-F385 HydrophobicContact CD2-CE1 4.49Å; L342-F385 HydrophobicContact CD2-CE2 4.27Å; L342-F385 HydrophobicContact CD2-CG 3.32Å; L362-F385 HydrophobicContact CD2-CD1 4.21Å; L362-F385 HydrophobicContact CD2-CE1 4Å; L362-F385 HydrophobicContact CG-CE1 4.48Å; N363-F385 HydrophobicContact CB-CD2 4.45Å; N363-F385 HydrophobicContact CB-CE2 3.61Å; N363-F385 HydrophobicContact CB-CZ 3.99Å; Y369-F385 WeakPolarHBondContact O-CA 3.5Å; C383-F385 HydrophobicContact CB-CD1 4.38Å; F385-C387 HydrophobicContact CD2-CB 3.92Å; F385-C387 HydrophobicContact CE2-CB 3.74Å; F385-I396 CarbonylContact O-C 3.59Å; F385-I396 VanDerWaalsContact O-CA 3.28Å; F385-I396 WeakPolarHBondContact O-CA 3.34Å; F385-D397 WeakPolarHBondContact CD1-O 3.19Å; F385-D397 HydrophobicContact CE1-CB 4.14Å; F385-D397 HydrophobicContact CE2-CB 4.21Å; F385-D397 HydrophobicContact CZ-CB 3.84Å; F385-D397 PolarHBondContact N-O 2.86Å; F385-D397 PolarHBondContact O-N 2.79Å; F385-C399 HydrophobicContact CE1-CB 4.01Å
386E98.7Very high93.8Very high0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-74.8130173.1-64.4175.9159.500110.7R25 I26 P27 S367 G368 Y369 E392 K395 I396R25-E386 WeakPolarHBondContact CA-OE1 3.07Å; R25-E386 VanDerWaalsContact CZ-CD 3.49Å; R25-E386 IonicContact CZ-OE1 3.97Å; R25-E386 IonicContact CZ-OE2 3.86Å; R25-E386 VanDerWaalsContact CZ-OE2 3.29Å; R25-E386 IonicContact NE-OE1 3.35Å; R25-E386 PolarHBondContact NE-OE1 2.7Å; R25-E386 IonicContact NE-OE2 3.79Å; R25-E386 IonicContact NH2-OE1 3.72Å; R25-E386 PolarHBondContact NH2-OE1 3.41Å; R25-E386 IonicContact NH2-OE2 2.99Å; R25-E386 PolarHBondContact NH2-OE2 3.45Å; I26-E386 PolarHBondContact N-OE1 3.17Å; P27-E386 HydrophobicContact CG-CG 4.18Å; S367-E386 VanDerWaalsContact CA-O 3.24Å; S367-E386 WeakPolarHBondContact CA-O 3.48Å; G368-E386 PolarHBondContact N-O 2.71Å; Y369-E386 WeakPolarHBondContact CB-OE2 3.29Å; Y369-E386 PolarHBondContact N-OE2 2.84Å; Y369-E386 PolarHBondContact O-N 2.8Å; E386-E392 CarbonylContact C-O 3.52Å; E386-E392 VanDerWaalsContact C-O 3.23Å; E386-E392 WeakPolarHBondContact CB-O 3.33Å; E386-K395 WeakPolarHBondContact CA-O 3.41Å; E386-I396 HydrophobicContact CG-CG1 4.16Å
387C98.4Very high94.7Very high1 Ų138.8 Ų38.81%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-154.9173.2173.863.30000113R10 P366 F385 E392 K395 D397R10-C387 PolarHBondContact NH2-SG 3.48Å; P366-C387 WeakPolarHBondContact O-CA 3.42Å; P366-C387 WeakPolarHBondContact O-CB 3.22Å; F385-C387 HydrophobicContact CD2-CB 3.92Å; F385-C387 HydrophobicContact CE2-CB 3.74Å; C387-E392 CarbonylContact C-O 3.58Å; C387-E392 WeakPolarHBondContact CA-O 3.4Å; C387-E392 PolarHBondContact N-O 3.25Å; C387-K395 PolarHBondContact N-O 2.87Å; C387-K395 WeakPolarHBondContact O-CG 3.45Å; C387-K395 PolarHBondContact O-N 3.11Å; C387-D397 PolarHBondContact SG-OD2 3.02Å; C387-D397 VanDerWaalsContact SG-OD2 3.41Å
388G97.1Very high95.7Very high11 Ų1136.1 Ų36.111%0.11317%0.166CC..  trans-176.3-174.1174.600000111.8P366 H391 E394P366-G388 WeakPolarHBondContact CD-O 3.24Å; G388-H391 VanDerWaalsContact CA-O 3.23Å; G388-H391 WeakPolarHBondContact CA-O 3.45Å; G388-H391 PolarHBondContact N-O 3.42Å; G388-E394 VanDerWaalsContact CA-OE2 3.31Å; G388-E394 WeakPolarHBondContact CA-OE2 3.22Å
389E95.9Very high96.5Very high173 Ų17332.5 Ų32.581%0.80815%0.15SC*.SBendtrans-86.1-41.6175.3-65.5-172.417600111.8E394E389-E394 PolarHBondContact N-OE2 2.97Å
390R95.5Very high97Very high202 Ų20232 Ų3276%0.76215%0.145SC*.SBendtrans-110.1-42.5-177.4-52.2177.6177.8178.21.1112.2P366 E394P366-R390 WeakPolarHBondContact CG-O 3.1Å; R390-E394 VanDerWaalsContact CA-OE1 3.29Å; R390-E394 WeakPolarHBondContact CA-OE1 3.5Å; R390-E394 WeakPolarHBondContact CB-OE1 3.46Å; R390-E394 PolarHBondContact N-OE1 3.33Å
391H95.5Very high97.1Very high112 Ų11231.3 Ų31.352%0.51914%0.141SC..SBendtrans-126.7152.3-178.3-60.7-73.1000111.3P366 G388 D393 E394P366-H391 VanDerWaalsContact CB-C 3.49Å; G388-H391 VanDerWaalsContact CA-O 3.23Å; G388-H391 WeakPolarHBondContact CA-O 3.45Å; G388-H391 PolarHBondContact N-O 3.42Å; H391-D393 VanDerWaalsContact C-N 3.25Å; H391-D393 WeakPolarHBondContact CB-OD1 3.31Å; H391-D393 PolarHBondContact O-N 3.4Å; H391-E394 HydrophobicContact CB-CG 4.23Å; H391-E394 PolarHBondContact N-OE1 3.19Å; H391-E394 WeakPolarHBondContact O-CG 3.41Å
392E96.3Very high96.9Very high44 Ų4431.8 Ų31.821%0.20615%0.145CC..THydrogen-bonded Turntrans-70.6-19.1-178.865.3-90.8-150.200113.9R339 P366 E386 C387R339-E392 VanDerWaalsContact CD-OE1 3.29Å; R339-E392 WeakPolarHBondContact CD-OE1 3.45Å; R339-E392 IonicContact NH1-OE1 3.77Å; P366-E392 HydrophobicContact CB-CB 4.33Å; E386-E392 CarbonylContact C-O 3.52Å; E386-E392 VanDerWaalsContact C-O 3.23Å; E386-E392 WeakPolarHBondContact CB-O 3.33Å; C387-E392 CarbonylContact C-O 3.58Å; C387-E392 WeakPolarHBondContact CA-O 3.4Å; C387-E392 PolarHBondContact N-O 3.25Å
393D95.7Very high96.4Very high20 Ų2033.1 Ų33.111%0.10715%0.152CC..THydrogen-bonded Turntrans-101.217.8-173.459.1-14.4000114.1T23 R25 S48 H391T23-D393 HydrophobicContact CG2-CB 4.06Å; T23-D393 WeakPolarHBondContact CG2-O 3.32Å; R25-D393 HydrophobicContact CG-CB 4.26Å; S48-D393 WeakPolarHBondContact CB-OD2 3.39Å; H391-D393 VanDerWaalsContact C-N 3.25Å; H391-D393 WeakPolarHBondContact CB-OD1 3.31Å; H391-D393 PolarHBondContact O-N 3.4Å
394E97.5Very high95.9Very high34 Ų3438.3 Ų38.316%0.15918%0.176CC..SBendtrans-73.1-31.6175.7-65.3174.7-167.200112.1Q15 Q16 G388 E389 R390 H391Q15-E394 PolarHBondContact NE2-O 2.93Å; Q15-E394 VanDerWaalsContact NE2-O 3.1Å; Q16-E394 WeakPolarHBondContact CB-O 3.33Å; Q16-E394 PolarHBondContact N-O 3.07Å; G388-E394 VanDerWaalsContact CA-OE2 3.31Å; G388-E394 WeakPolarHBondContact CA-OE2 3.22Å; E389-E394 PolarHBondContact N-OE2 2.97Å; R390-E394 VanDerWaalsContact CA-OE1 3.29Å; R390-E394 WeakPolarHBondContact CA-OE1 3.5Å; R390-E394 WeakPolarHBondContact CB-OE1 3.46Å; R390-E394 PolarHBondContact N-OE1 3.33Å; H391-E394 HydrophobicContact CB-CG 4.23Å; H391-E394 PolarHBondContact N-OE1 3.19Å; H391-E394 WeakPolarHBondContact O-CG 3.41Å
395K97.9Very high95.4Very high46 Ų4639.3 Ų39.320%0.218%0.181CC..EExtended strand (participates in β ladder)trans-160.5165.317857.3176.7-178151.60112.8T12 F14 E386 C387 D397T12-K395 HydrophobicContact CG2-CB 4.07Å; T12-K395 HydrophobicContact CG2-CD 4Å; F14-K395 CarbonylContact O-C 3.53Å; F14-K395 VanDerWaalsContact O-CA 3.22Å; F14-K395 WeakPolarHBondContact O-CA 3.36Å; F14-K395 VanDerWaalsContact O-CB 3.29Å; F14-K395 WeakPolarHBondContact O-CB 3.38Å; E386-K395 WeakPolarHBondContact CA-O 3.41Å; C387-K395 PolarHBondContact N-O 2.87Å; C387-K395 WeakPolarHBondContact O-CG 3.45Å; C387-K395 PolarHBondContact O-N 3.11Å; K395-D397 WeakPolarHBondContact CD-OD1 3.31Å; K395-D397 WeakPolarHBondContact CE-OD2 3.37Å; K395-D397 IonicContact NZ-OD1 2.78Å; K395-D397 PolarHBondContact NZ-OD1 2.83Å; K395-D397 IonicContact NZ-OD2 2.65Å; K395-D397 PolarHBondContact NZ-OD2 3.36Å
396I98.7Very high94.8Very high0 Ų039.5 Ų39.50%018%0.182CC..EExtended strand (participates in β ladder)trans-117.4116.7169.4-60.5173.4000108.1L13 F14 P27 A42 L384 F385 E386L13-I396 PolarHBondContact N-O 3.13Å; F14-I396 HydrophobicContact CB-CB 4.11Å; F14-I396 HydrophobicContact CB-CD1 4.42Å; F14-I396 HydrophobicContact CD2-CB 3.92Å; F14-I396 HydrophobicContact CD2-CD1 4.22Å; F14-I396 HydrophobicContact CD2-CG2 4.06Å; F14-I396 HydrophobicContact CG-CB 4.49Å; F14-I396 PolarHBondContact N-O 3.06Å; F14-I396 PolarHBondContact O-N 3.09Å; P27-I396 HydrophobicContact CB-CD1 4.47Å; P27-I396 HydrophobicContact CB-CG2 4.06Å; A42-I396 HydrophobicContact CB-CD1 3.58Å; L384-I396 HydrophobicContact CD1-CG2 3.54Å; L384-I396 HydrophobicContact CD2-CG2 4.32Å; L384-I396 HydrophobicContact CG-CG2 3.63Å; F385-I396 CarbonylContact O-C 3.59Å; F385-I396 VanDerWaalsContact O-CA 3.28Å; F385-I396 WeakPolarHBondContact O-CA 3.34Å; E386-I396 HydrophobicContact CG-CG1 4.16Å
397D98.5Very high94.2Very high0 Ų041.6 Ų41.60%019%0.193CC..EExtended strand (participates in β ladder)trans-102.3147178-76.9-6.7000110.5R10 S11 T12 L384 F385 C387 K395R10-D397 IonicContact CZ-OD2 3.29Å; R10-D397 IonicContact NE-OD2 3.62Å; R10-D397 PolarHBondContact NE-OD2 2.9Å; R10-D397 IonicContact NH2-OD2 2.59Å; R10-D397 PolarHBondContact NH2-OD2 2.93Å; S11-D397 WeakPolarHBondContact O-CA 3.46Å; T12-D397 WeakPolarHBondContact CA-OD1 3.36Å; T12-D397 WeakPolarHBondContact CB-OD1 3.5Å; T12-D397 WeakPolarHBondContact CG2-OD1 3.42Å; T12-D397 PolarHBondContact OG1-OD1 3.46Å; L384-D397 CarbonylContact C-O 3.54Å; L384-D397 WeakPolarHBondContact CA-O 3.3Å; F385-D397 WeakPolarHBondContact CD1-O 3.19Å; F385-D397 HydrophobicContact CE1-CB 4.14Å; F385-D397 HydrophobicContact CE2-CB 4.21Å; F385-D397 HydrophobicContact CZ-CB 3.84Å; F385-D397 PolarHBondContact N-O 2.86Å; F385-D397 PolarHBondContact O-N 2.79Å; C387-D397 PolarHBondContact SG-OD2 3.02Å; C387-D397 VanDerWaalsContact SG-OD2 3.41Å; K395-D397 WeakPolarHBondContact CD-OD1 3.31Å; K395-D397 WeakPolarHBondContact CE-OD2 3.37Å; K395-D397 IonicContact NZ-OD1 2.78Å; K395-D397 PolarHBondContact NZ-OD1 2.83Å; K395-D397 IonicContact NZ-OD2 2.65Å; K395-D397 PolarHBondContact NZ-OD2 3.36Å
398F98.4Very high93.2Very high0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-105.5136.2168.5172.5-93000109R10 S11 L13 L29 F38 V68 W70 A382 C383 L384 L400R10-F398 CarbonylContact C-O 3.23Å; R10-F398 VanDerWaalsContact CA-O 3.31Å; R10-F398 WeakPolarHBondContact CA-O 3.38Å; S11-F398 PolarHBondContact N-O 3.19Å; S11-F398 PolarHBondContact O-N 2.92Å; L13-F398 HydrophobicContact CD1-CB 3.73Å; L13-F398 HydrophobicContact CD1-CG 4.39Å; L13-F398 HydrophobicContact CD2-CB 4.3Å; L13-F398 HydrophobicContact CG-CB 3.78Å; L29-F398 HydrophobicContact CD1-CD2 4.29Å; L29-F398 HydrophobicContact CD1-CE2 4.21Å; L29-F398 HydrophobicContact CD2-CD2 4.35Å; L29-F398 HydrophobicContact CD2-CE2 4.12Å; F38-F398 HydrophobicContact CD1-CE2 4.15Å; F38-F398 HydrophobicContact CD2-CZ 4.28Å; F38-F398 HydrophobicContact CE1-CE2 4.21Å; F38-F398 HydrophobicContact CE1-CZ 4.38Å; F38-F398 HydrophobicContact CE2-CZ 4.12Å; F38-F398 HydrophobicContact CG-CE2 4.33Å; F38-F398 HydrophobicContact CG-CZ 4.47Å; F38-F398 HydrophobicContact CZ-CE2 4.44Å; F38-F398 HydrophobicContact CZ-CZ 4.15Å; V68-F398 HydrophobicContact CB-CE1 4.29Å; V68-F398 HydrophobicContact CG2-CE1 3.78Å; V68-F398 HydrophobicContact CG2-CZ 3.9Å; W70-F398 HydrophobicContact CH2-CD2 4.13Å; W70-F398 HydrophobicContact CH2-CE2 4.21Å; W70-F398 HydrophobicContact CZ2-CB 4.27Å; W70-F398 AromaticContact CZ2-CD1 3.83Å; W70-F398 HydrophobicContact CZ2-CD1 3.83Å; W70-F398 AromaticContact CZ2-CD2 3.57Å; W70-F398 HydrophobicContact CZ2-CD2 3.57Å; W70-F398 AromaticContact CZ2-CE1 3.94Å; W70-F398 HydrophobicContact CZ2-CE1 3.94Å; W70-F398 AromaticContact CZ2-CE2 3.68Å; W70-F398 HydrophobicContact CZ2-CE2 3.68Å; W70-F398 AromaticContact CZ2-CG 3.63Å; W70-F398 HydrophobicContact CZ2-CG 3.63Å; W70-F398 AromaticContact CZ2-CZ 3.88Å; W70-F398 HydrophobicContact CZ2-CZ 3.88Å; W70-F398 AromaticContact NE1-CD1 3.94Å; A382-F398 HydrophobicContact CB-CE2 3.56Å; A382-F398 HydrophobicContact CB-CZ 3.83Å; C383-F398 CarbonylContact O-C 3.51Å; C383-F398 WeakPolarHBondContact O-CA 3.33Å; L384-F398 HydrophobicContact CD1-CB 4.04Å; F398-L400 HydrophobicContact CE1-CD1 4.13Å; F398-L400 HydrophobicContact CE1-CD2 4.35Å; F398-L400 HydrophobicContact CE1-CG 3.65Å; F398-L400 HydrophobicContact CZ-CD1 4.39Å; F398-L400 HydrophobicContact CZ-CD2 3.93Å; F398-L400 HydrophobicContact CZ-CG 3.75Å
399C97.1Very high91.6Very high7 Ų746.4 Ų46.45%0.04722%0.224CC..EExtended strand (participates in β ladder)trans-134.2129.1174.7-164.60000110.7L9 L362 A382 C383 F385L9-C399 CarbonylContact O-C 3.53Å; L9-C399 VanDerWaalsContact O-CA 3.29Å; L9-C399 WeakPolarHBondContact O-CA 3.32Å; L362-C399 HydrophobicContact CD1-CB 4.08Å; L362-C399 HydrophobicContact CD2-CB 4.44Å; A382-C399 CarbonylContact C-O 3.59Å; A382-C399 WeakPolarHBondContact CA-O 3.28Å; C383-C399 PolarHBondContact N-O 2.85Å; C383-C399 PolarHBondContact O-N 2.83Å; F385-C399 HydrophobicContact CE1-CB 4.01Å
400L95.5Very high89.8Confident2 Ų239.8 Ų39.81%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-91.1146163.4-77.4169.9000109.8S8 L9 F38 M63 V68 V375 F381 A382 F398S8-L400 WeakPolarHBondContact CA-O 3.21Å; L9-L400 HydrophobicContact CB-CB 4.47Å; L9-L400 PolarHBondContact N-O 3.13Å; L9-L400 PolarHBondContact O-N 3.21Å; F38-L400 HydrophobicContact CZ-CD2 4.13Å; M63-L400 HydrophobicContact CE-CD1 3.84Å; M63-L400 HydrophobicContact CE-CD2 3.97Å; V68-L400 HydrophobicContact CG2-CD1 3.66Å; V68-L400 HydrophobicContact CG2-CG 4.48Å; V375-L400 HydrophobicContact CG2-CD2 4.42Å; F381-L400 CarbonylContact O-C 3.59Å; F381-L400 WeakPolarHBondContact O-CA 3.46Å; A382-L400 HydrophobicContact CB-CD2 3.83Å; F398-L400 HydrophobicContact CE1-CD1 4.13Å; F398-L400 HydrophobicContact CE1-CD2 4.35Å; F398-L400 HydrophobicContact CE1-CG 3.65Å; F398-L400 HydrophobicContact CZ-CD1 4.39Å; F398-L400 HydrophobicContact CZ-CD2 3.93Å; F398-L400 HydrophobicContact CZ-CG 3.75Å
401F93.9Very high87.6Confident0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-157160.6173.857-89000110.8L329 I344 W360 L362 L372 L380 F381 C383 E405 V406L329-F401 HydrophobicContact CD2-CE2 3.94Å; L329-F401 HydrophobicContact CD2-CZ 4.08Å; I344-F401 HydrophobicContact CD1-CZ 4.12Å; I344-F401 HydrophobicContact CG1-CE2 4.44Å; I344-F401 HydrophobicContact CG1-CZ 4.06Å; I344-F401 HydrophobicContact CG2-CE2 4.28Å; I344-F401 HydrophobicContact CG2-CZ 4.39Å; W360-F401 HydrophobicContact CE3-CD2 4.5Å; W360-F401 HydrophobicContact CH2-CB 3.67Å; W360-F401 HydrophobicContact CH2-CD1 4.47Å; W360-F401 HydrophobicContact CH2-CD2 4.26Å; W360-F401 AromaticContact CH2-CG 3.9Å; W360-F401 HydrophobicContact CH2-CG 3.9Å; W360-F401 HydrophobicContact CZ3-CB 3.92Å; W360-F401 HydrophobicContact CZ3-CD1 4.09Å; W360-F401 AromaticContact CZ3-CD2 3.64Å; W360-F401 HydrophobicContact CZ3-CD2 3.64Å; W360-F401 HydrophobicContact CZ3-CE2 4.13Å; W360-F401 AromaticContact CZ3-CG 3.61Å; W360-F401 HydrophobicContact CZ3-CG 3.61Å; L362-F401 HydrophobicContact CD1-CD1 3.93Å; L362-F401 HydrophobicContact CD1-CE1 4.3Å; L362-F401 HydrophobicContact CD2-CE1 4.27Å; L372-F401 HydrophobicContact CD2-CZ 4.1Å; L380-F401 WeakPolarHBondContact CA-O 3.5Å; F381-F401 HydrophobicContact CB-CD2 4.08Å; F381-F401 HydrophobicContact CB-CE1 4.13Å; F381-F401 HydrophobicContact CB-CE2 3.54Å; F381-F401 HydrophobicContact CB-CZ 3.57Å; F381-F401 HydrophobicContact CD2-CD2 4.22Å; F381-F401 AromaticContact CD2-CE2 3.94Å; F381-F401 HydrophobicContact CD2-CE2 3.94Å; F381-F401 AromaticContact CG-CE2 3.99Å; F381-F401 HydrophobicContact CG-CE2 3.99Å; F381-F401 HydrophobicContact CG-CZ 4.39Å; F381-F401 PolarHBondContact N-O 2.91Å; F381-F401 PolarHBondContact O-N 2.94Å; C383-F401 HydrophobicContact CB-CE1 3.9Å; F401-E405 VanDerWaalsContact CA-OE2 3.24Å; F401-E405 WeakPolarHBondContact CA-OE2 3.2Å; F401-E405 WeakPolarHBondContact CB-OE2 3.29Å; F401-V406 HydrophobicContact CD2-CG2 3.66Å; F401-V406 HydrophobicContact CE2-CG2 3.62Å
402S91.5Very high84.9Confident14 Ų1436.4 Ų36.410%0.09820%0.203CC..EExtended strand (participates in β ladder)trans-95.5161.1178.269.70000113.3G379 Q404 E405 V406G379-S402 WeakPolarHBondContact O-CA 3.22Å; S402-Q404 PolarHBondContact O-N 3.08Å; S402-Q404 PolarHBondContact OG-N 3.04Å; S402-E405 PolarHBondContact N-OE2 3.03Å; S402-E405 PolarHBondContact O-N 3.15Å; S402-E405 PolarHBondContact OG-N 3.11Å; S402-V406 PolarHBondContact O-N 3.22Å
403D87.5Confident82.2Confident29 Ų2938.2 Ų38.216%0.15522%0.217CC..Hα-helixtrans-55.5-39.7166.648.98000112.2G379 F381 E405 V406 L407G379-D403 PolarHBondContact O-N 3.33Å; F381-D403 HydrophobicContact CE2-CB 3.82Å; F381-D403 HydrophobicContact CZ-CB 4.48Å; D403-E405 VanDerWaalsContact C-N 3.33Å; D403-E405 PolarHBondContact O-N 3.3Å; D403-V406 PolarHBondContact O-N 3.03Å; D403-V406 VanDerWaalsContact O-N 3.14Å; D403-L407 VanDerWaalsContact O-CG 3.29Å; D403-L407 WeakPolarHBondContact O-CG 3.42Å; D403-L407 PolarHBondContact O-N 3.15Å
404Q86.8Confident79Confident109 Ų10941.6 Ų41.651%0.50924%0.242SC..Hα-helixtrans-59.4-41.5178.5-64.1-179.2-2.700112.4S402 V406 L407 S408S402-Q404 PolarHBondContact O-N 3.08Å; S402-Q404 PolarHBondContact OG-N 3.04Å; Q404-V406 VanDerWaalsContact C-N 3.31Å; Q404-V406 PolarHBondContact O-N 2.86Å; Q404-L407 PolarHBondContact O-N 3.22Å; Q404-S408 VanDerWaalsContact O-CB 3.24Å; Q404-S408 WeakPolarHBondContact O-CB 3.45Å; Q404-S408 PolarHBondContact O-N 3.34Å; Q404-S408 PolarHBondContact O-OG 3.02Å
405E87.9Confident76Confident20 Ų2045.6 Ų45.69%0.09327%0.271CS..Hα-helixtrans-61.1-41.7176.2-74.7173.1125.400110.9S6 C7 S8 W360 F401 S402 D403 S408S6-E405 WeakPolarHBondContact CA-OE1 3.33Å; C7-E405 PolarHBondContact N-OE1 3.2Å; S8-E405 PolarHBondContact N-OE1 3.24Å; W360-E405 HydrophobicContact CH2-CB 4.36Å; W360-E405 HydrophobicContact CZ2-CB 4.14Å; F401-E405 VanDerWaalsContact CA-OE2 3.24Å; F401-E405 WeakPolarHBondContact CA-OE2 3.2Å; F401-E405 WeakPolarHBondContact CB-OE2 3.29Å; S402-E405 PolarHBondContact N-OE2 3.03Å; S402-E405 PolarHBondContact O-N 3.15Å; S402-E405 PolarHBondContact OG-N 3.11Å; D403-E405 VanDerWaalsContact C-N 3.33Å; D403-E405 PolarHBondContact O-N 3.3Å; E405-S408 PolarHBondContact O-OG 3.26Å
406V86.9Confident72.8Confident5 Ų549.1 Ų49.13%0.0330%0.302CS..Hα-helixtrans-67-46.3177.5-177.50000111.7L329 I344 Y346 W360 F401 S402 D403 Q404L329-V406 HydrophobicContact CD1-CG1 4.26Å; I344-V406 HydrophobicContact CG2-CG1 4.07Å; I344-V406 HydrophobicContact CG2-CG2 4.04Å; Y346-V406 HydrophobicContact CD1-CG1 3.92Å; W360-V406 HydrophobicContact CB-CG1 4.46Å; W360-V406 HydrophobicContact CE3-CG2 3.83Å; W360-V406 HydrophobicContact CZ3-CG2 4.17Å; F401-V406 HydrophobicContact CD2-CG2 3.66Å; F401-V406 HydrophobicContact CE2-CG2 3.62Å; S402-V406 PolarHBondContact O-N 3.22Å; D403-V406 PolarHBondContact O-N 3.03Å; D403-V406 VanDerWaalsContact O-N 3.14Å; Q404-V406 VanDerWaalsContact C-N 3.31Å; Q404-V406 PolarHBondContact O-N 2.86Å
407L85Confident69.9Low45 Ų4554.5 Ų54.524%0.23634%0.34CS..Hα-helixtrans-72.1-35.5-175.4-66.6171.7000113W327 Y346 D403 Q404 C409 D410W327-L407 HydrophobicContact CH2-CD1 3.71Å; W327-L407 HydrophobicContact CH2-CD2 4.27Å; W327-L407 HydrophobicContact CZ3-CD1 3.79Å; W327-L407 HydrophobicContact CZ3-CD2 4.08Å; W327-L407 HydrophobicContact CZ3-CG 4.28Å; Y346-L407 HydrophobicContact CD1-CD2 4.22Å; Y346-L407 HydrophobicContact CD2-CD2 4.39Å; Y346-L407 HydrophobicContact CE1-CD2 3.92Å; Y346-L407 HydrophobicContact CE2-CD2 4.13Å; Y346-L407 HydrophobicContact CG-CD2 4.44Å; D403-L407 VanDerWaalsContact O-CG 3.29Å; D403-L407 WeakPolarHBondContact O-CG 3.42Å; D403-L407 PolarHBondContact O-N 3.15Å; Q404-L407 PolarHBondContact O-N 3.22Å; L407-C409 PolarHBondContact O-N 3.12Å; L407-D410 PolarHBondContact O-N 2.84Å; L407-D410 VanDerWaalsContact O-N 3.07Å
408S77.2Confident66.9Low63 Ų6365.7 Ų65.744%0.44140%0.399SS..Hα-helixtrans-59.3-19.8-17968.10000113.8Q404 E405 D410Q404-S408 VanDerWaalsContact O-CB 3.24Å; Q404-S408 WeakPolarHBondContact O-CB 3.45Å; Q404-S408 PolarHBondContact O-N 3.34Å; Q404-S408 PolarHBondContact O-OG 3.02Å; E405-S408 PolarHBondContact O-OG 3.26Å; S408-D410 VanDerWaalsContact C-N 3.28Å; S408-D410 PolarHBondContact O-N 2.83Å
409C65.3Low65.3Low49 Ų4969 Ų6933%0.33142%0.419SS..Hα-helixtrans-68.5-24.3178.1-1660000113.3W360 L407W360-C409 HydrophobicContact CB-CB 4.15Å; W360-C409 HydrophobicContact CG-CB 4.43Å; L407-C409 PolarHBondContact O-N 3.12Å
410D57.2Low63.6Low35 Ų3572.2 Ų72.219%0.18744%0.439CS..Hα-helixtrans-87.3-32.6-178.2-79.9-29.6000113.2Y346 L407 S408 C412 T413Y346-D410 WeakPolarHBondContact CE1-OD2 3.31Å; Y346-D410 PolarHBondContact OH-OD2 2.84Å; L407-D410 PolarHBondContact O-N 2.84Å; L407-D410 VanDerWaalsContact O-N 3.07Å; S408-D410 VanDerWaalsContact C-N 3.28Å; S408-D410 PolarHBondContact O-N 2.83Å; D410-C412 PolarHBondContact O-N 3.03Å; D410-T413 PolarHBondContact O-N 2.9Å; D410-T413 PolarHBondContact O-OG1 3.22Å
411D48.4Very low61.8Low130 Ų13076.1 Ų76.170%0.69546%0.462SS*.Hα-helixtrans-67.6-17.7-179.1-74.9-24.9000113.3T413D411-T413 PolarHBondContact O-N 3.07Å
412C40.8Very low60Low112 Ų11280.6 Ų80.676%0.75749%0.49SS*.THydrogen-bonded Turntrans-78.24179.4-65.50000114.5D410D410-C412 PolarHBondContact O-N 3.03Å
413T37.6Very low58Low83 Ų8384.8 Ų84.851%0.50951%0.514SS..THydrogen-bonded Turntrans-13210.4-176.259.70000117.1D410 D411 P415D410-T413 PolarHBondContact O-N 2.9Å; D410-T413 PolarHBondContact O-OG1 3.22Å; D411-T413 PolarHBondContact O-N 3.07Å; T413-P415 WeakPolarHBondContact O-CD 3.46Å
414S30.5Very low56Low90 Ų9088.5 Ų88.563%0.62954%0.538SS*.  trans-73.9118.6167.337.90000109.8S416S414-S416 PolarHBondContact O-N 3.21Å
415P32.7Very low53.8Low118 Ų11887 Ų8777%0.76654%0.54SS*.  trans-68.2122.9171.628.1-28.8000107.3T413 S417T413-P415 WeakPolarHBondContact O-CD 3.46Å; P415-S417 VanDerWaalsContact C-N 3.33Å; P415-S417 PolarHBondContact O-N 3.29Å
416S32Very low51.2Low120 Ų12092.2 Ų92.284%0.83958%0.575SS**  trans-58.596.2168.152.40000109.1S414 N418S414-S416 PolarHBondContact O-N 3.21Å; S416-N418 PolarHBondContact O-N 3.01Å
417S37.9Very low48.2Very low114 Ų11499.4 Ų99.480%0.79762%0.62SS**  trans-79.3100.9163.5500000108P415P415-S417 VanDerWaalsContact C-N 3.33Å; P415-S417 PolarHBondContact O-N 3.29Å
418N33.9Very low44.9Very low234 Ų234104.4 Ų104.4100%1.25166%0.655SS**  trans-75.70150.8-85.5-15.5000110S416S416-N418 PolarHBondContact O-N 3.01Å

Retrieved 418 of 418 residues in 773.8 ms (Link to these results)

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