A0A060YK59_ONCMY Loading...

Arrestin C-terminal-like domain-containing protein

AlphaFold DB (P51468), UniProt , Accession A0A060YK59, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 415 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
1M34.1Very low69.8Low246 Ų24699.8 Ų99.8100%1.21255%0.549SS*.  097.50-141.9158.5-175.400105.2D3M1-D3 PolarHBondContact O-N 2.73Å
2G37.8Very low72Confident73 Ų7396.2 Ų96.275%0.75352%0.523SS*.  trans-74118.5-178.100000108.4K4G2-K4 PolarHBondContact O-N 2.75Å
3D43.7Very low73.9Confident165 Ų16592.7 Ų92.788%0.88251%0.51SS*.  trans-54.1105.9170.9-86.5-23.8000107.9M1 A5M1-D3 PolarHBondContact O-N 2.73Å; D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 3.24Å
4K44.4Very low75.5Confident181 Ų18186.3 Ų86.379%0.78748%0.475SS*.  trans-64.8101.4170.4-78.1-176.7177.4179.90106G2 G6G2-K4 PolarHBondContact O-N 2.75Å; K4-G6 PolarHBondContact O-N 3.44Å
5A63.9Low76.8Confident101 Ų10185.8 Ų85.884%0.83548%0.478SS*.  trans-61.7108.5176.600000108.4D3D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 3.24Å
6G74.7Confident77.8Confident19 Ų1982.1 Ų82.120%0.19646%0.457CS..  trans-56160.2174.900000111.6K4 R8 D393K4-G6 PolarHBondContact O-N 3.44Å; G6-R8 PolarHBondContact O-N 3.06Å; G6-D393 CarbonylContact C-O 3.54Å; G6-D393 WeakPolarHBondContact CA-O 3.4Å
7T86.6Confident78.8Confident56 Ų5682.9 Ų82.934%0.34447%0.468SS..EExtended strand (participates in β ladder)trans-64.9111.9175-54.10000108.7R104 D393 F394 V395T7-R104 PolarHBondContact OG1-NH1 3.4Å; T7-R104 PolarHBondContact OG1-NH2 3.32Å; T7-D393 PolarHBondContact N-O 3.06Å; T7-F394 HydrophobicContact CG2-CD1 4.08Å; T7-F394 HydrophobicContact CG2-CE1 3.94Å; T7-F394 WeakPolarHBondContact O-CA 3.45Å; T7-V395 PolarHBondContact O-N 3.35Å
8R92.5Very high79.7Confident157 Ų15781.9 Ų81.959%0.59246%0.458SS*.EExtended strand (participates in β ladder)trans-70.4133.7177.4-69.9-176.5-70.2178.5-1.9110.4G6 V395 E397G6-R8 PolarHBondContact O-N 3.06Å; R8-V395 WeakPolarHBondContact CA-O 3.38Å; R8-E397 WeakPolarHBondContact CD-OE1 3.49Å
9V95.8Very high80.6Confident0 Ų077.6 Ų77.60%043%0.434CS..EExtended strand (participates in β ladder)trans-134.2126.4175.5175.20000108.8Y22 L101 L105 F394 V395 F396 E397V9-Y22 HydrophobicContact CG1-CD1 4.06Å; V9-L101 HydrophobicContact CG2-CD1 3.91Å; V9-L105 HydrophobicContact CG1-CD1 4.28Å; V9-L105 HydrophobicContact CG1-CD2 4.16Å; V9-L105 HydrophobicContact CG2-CD2 4.28Å; V9-F394 HydrophobicContact CG2-CD1 3.42Å; V9-F394 VanDerWaalsContact CG2-CD1 3.42Å; V9-F394 HydrophobicContact CG2-CE1 3.67Å; V9-F394 HydrophobicContact CG2-CG 4.38Å; V9-V395 PolarHBondContact N-O 3.21Å; V9-F396 HydrophobicContact CB-CD1 3.92Å; V9-F396 HydrophobicContact CB-CE1 4.13Å; V9-F396 HydrophobicContact CG1-CD1 4Å; V9-F396 HydrophobicContact CG1-CE1 4.04Å; V9-F396 CarbonylContact O-C 3.56Å; V9-F396 WeakPolarHBondContact O-CA 3.16Å; V9-E397 PolarHBondContact O-N 2.89Å
10F97.1Very high81.4Confident21 Ų2174.4 Ų74.49%0.09242%0.416CS..EExtended strand (participates in β ladder)trans-87.2138.2177.3-56.8-70.5000110.3Y22 L23 R26 E397 F399F10-Y22 CarbonylContact O-C 3.47Å; F10-Y22 WeakPolarHBondContact O-CA 3.47Å; F10-L23 PolarHBondContact N-O 3.37Å; F10-L23 PolarHBondContact O-N 2.9Å; F10-R26 HydrophobicContact CD1-CG 4.36Å; F10-R26 VanDerWaalsContact CD1-CZ 3.4Å; F10-R26 HydrophobicContact CD2-CG 3.69Å; F10-R26 HydrophobicContact CE1-CG 4.49Å; F10-R26 HydrophobicContact CE2-CG 3.86Å; F10-R26 HydrophobicContact CG-CG 3.94Å; F10-R26 HydrophobicContact CZ-CG 4.25Å; F10-E397 CarbonylContact C-O 3.48Å; F10-E397 VanDerWaalsContact CA-O 3.31Å; F10-E397 WeakPolarHBondContact CA-O 3.46Å; F10-E397 HydrophobicContact CD1-CB 3.99Å; F10-E397 HydrophobicContact CE1-CB 4.19Å; F10-E397 WeakPolarHBondContact CE1-OE2 3.46Å; F10-F399 HydrophobicContact CB-CB 4.28Å; F10-F399 HydrophobicContact CB-CD2 3.74Å; F10-F399 HydrophobicContact CB-CG 4.47Å; F10-F399 HydrophobicContact CG-CD2 4.48Å
11K96.9Very high82.2Confident79 Ų7970.8 Ų70.834%0.34340%0.396SS..EExtended strand (participates in β ladder)trans-130.1151.9175.568.8178.3-178.6179.10112.7T20 V21 Y22 F396 E397 F399K11-T20 HydrophobicContact CB-CG2 4.25Å; K11-V21 CarbonylContact C-O 3.6Å; K11-V21 WeakPolarHBondContact CA-O 3.39Å; K11-Y22 HydrophobicContact CB-CD1 3.75Å; K11-Y22 HydrophobicContact CB-CE1 3.83Å; K11-Y22 HydrophobicContact CB-CG 4.3Å; K11-Y22 HydrophobicContact CD-CE1 3.88Å; K11-Y22 HydrophobicContact CG-CE1 4.48Å; K11-F396 HydrophobicContact CD-CB 4.26Å; K11-E397 PolarHBondContact N-O 2.96Å; K11-F399 PolarHBondContact O-N 2.77Å
12K97.2Very high85.3Confident56 Ų5659.9 Ų59.924%0.24334%0.342CS..EExtended strand (participates in β ladder)trans-144.6134.7168.2-165177.3178.11770110T20 V21 V165 R166 L167 F399K12-T20 WeakPolarHBondContact O-CA 3.34Å; K12-V21 PolarHBondContact N-O 2.92Å; K12-V21 PolarHBondContact O-N 3.15Å; K12-V165 HydrophobicContact CB-CG2 3.8Å; K12-V165 HydrophobicContact CD-CG2 3.77Å; K12-V165 HydrophobicContact CG-CG2 3.6Å; K12-R166 WeakPolarHBondContact CD-O 3.36Å; K12-R166 WeakPolarHBondContact CE-O 3.44Å; K12-R166 PolarHBondContact NZ-O 3.08Å; K12-L167 HydrophobicContact CB-CD2 3.89Å; K12-L167 HydrophobicContact CB-CG 4.16Å; K12-L167 HydrophobicContact CD-CG 4.21Å; K12-F399 HydrophobicContact CB-CB 4.09Å
13S96.5Very high88.1Confident51 Ų5156.4 Ų56.436%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-100.9152.5177.7-58.70000111.5V19 T20S13-V19 CarbonylContact C-O 3.36Å; S13-V19 WeakPolarHBondContact CA-O 3.45Å; S13-T20 WeakPolarHBondContact OG-CG2 3.21Å; S13-T20 PolarHBondContact OG-OG1 3.42Å
14S95.8Very high90.6Very high3 Ų349.7 Ų49.72%0.02128%0.276CS..  trans-64158.4167.958.20000110.6N16 C17 K18 V19S14-N16 PolarHBondContact O-N 2.81Å; S14-N16 PolarHBondContact OG-OD1 2.81Å; S14-C17 WeakPolarHBondContact O-CA 3.44Å; S14-C17 PolarHBondContact O-N 3.33Å; S14-K18 PolarHBondContact OG-N 2.64Å; S14-V19 PolarHBondContact N-O 3.34Å; S14-V19 PolarHBondContact OG-N 3.21Å; S14-V19 VanDerWaalsContact OG-N 3.07Å; S14-V19 PolarHBondContact OG-O 3.45Å
15P94.9Very high92.9Very high79 Ų7944.1 Ų44.151%0.51325%0.251SS..THydrogen-bonded Turntrans-56.4-27-179.4-28.835.1000115.2R162 S164P15-R162 WeakPolarHBondContact CD-O 3.31Å; P15-S164 VanDerWaalsContact CD-O 3.25Å; P15-S164 WeakPolarHBondContact CD-O 3.28Å
16N93.8Very high94.4Very high27 Ų2741 Ų4114%0.14422%0.218CC..THydrogen-bonded Turntrans-91.53.9174.367.7-4.8000114.6S14 K18 Y48 R162S14-N16 PolarHBondContact O-N 2.81Å; S14-N16 PolarHBondContact OG-OD1 2.81Å; N16-K18 HydrophobicContact CB-CG 4.25Å; N16-K18 WeakPolarHBondContact O-CG 3.21Å; N16-K18 PolarHBondContact O-N 3.18Å; N16-K18 VanDerWaalsContact O-N 3.14Å; N16-K18 WeakPolarHBondContact OD1-CB 3.25Å; N16-K18 PolarHBondContact OD1-N 3.42Å; N16-K18 VanDerWaalsContact OD1-N 3.12Å; N16-Y48 VanDerWaalsContact ND2-CZ 3.27Å; N16-Y48 PolarHBondContact ND2-OH 2.64Å; N16-R162 HydrophobicContact CB-CG 3.9Å; N16-R162 WeakPolarHBondContact CB-O 3.33Å; N16-R162 PolarHBondContact N-O 2.72Å; N16-R162 VanDerWaalsContact N-O 3.16Å; N16-R162 PolarHBondContact OD1-O 2.88Å
17C94.3Very high95.3Very high95 Ų9542 Ų4264%0.64222%0.219SC*.SBendtrans59.117.6-177.4-55.60000115.5S14S14-C17 WeakPolarHBondContact O-CA 3.44Å; S14-C17 PolarHBondContact O-N 3.33Å
18K95.3Very high95.7Very high65 Ų6539.4 Ų39.428%0.28320%0.203SC..SBendtrans-91.6-14.9-177.7-59.4-57.3-170.2175.60114.3S14 N16 D45 Y48S14-K18 PolarHBondContact OG-N 2.64Å; N16-K18 HydrophobicContact CB-CG 4.25Å; N16-K18 WeakPolarHBondContact O-CG 3.21Å; N16-K18 PolarHBondContact O-N 3.18Å; N16-K18 VanDerWaalsContact O-N 3.14Å; N16-K18 WeakPolarHBondContact OD1-CB 3.25Å; N16-K18 PolarHBondContact OD1-N 3.42Å; N16-K18 VanDerWaalsContact OD1-N 3.12Å; K18-D45 HydrophobicContact CB-CB 4.19Å; K18-D45 HydrophobicContact CD-CB 3.68Å; K18-D45 WeakPolarHBondContact CD-OD2 3.49Å; K18-D45 WeakPolarHBondContact CE-OD2 3.43Å; K18-D45 IonicContact NZ-OD2 2.77Å; K18-D45 PolarHBondContact NZ-OD2 2.96Å; K18-D45 PolarHBondContact O-N 3.09Å; K18-Y48 HydrophobicContact CB-CD1 3.55Å; K18-Y48 HydrophobicContact CB-CD2 4.37Å; K18-Y48 HydrophobicContact CB-CE1 4.11Å; K18-Y48 HydrophobicContact CB-CG 3.71Å; K18-Y48 HydrophobicContact CD-CD2 4.46Å; K18-Y48 HydrophobicContact CD-CG 4.22Å; K18-Y48 HydrophobicContact CG-CD1 3.95Å; K18-Y48 HydrophobicContact CG-CD2 3.82Å; K18-Y48 HydrophobicContact CG-CE1 4.44Å; K18-Y48 HydrophobicContact CG-CE2 4.34Å; K18-Y48 HydrophobicContact CG-CG 3.61Å
19V95.7Very high95.8Very high0 Ų032.6 Ų32.60%018%0.178CC..EExtended strand (participates in β ladder)trans-131.6124.6176.4-177.60000107.8S13 S14 I42 L43 A149 C151 V165S13-V19 CarbonylContact C-O 3.36Å; S13-V19 WeakPolarHBondContact CA-O 3.45Å; S14-V19 PolarHBondContact N-O 3.34Å; S14-V19 PolarHBondContact OG-N 3.21Å; S14-V19 VanDerWaalsContact OG-N 3.07Å; S14-V19 PolarHBondContact OG-O 3.45Å; V19-I42 HydrophobicContact CG1-CG2 3.72Å; V19-L43 WeakPolarHBondContact CA-O 3.32Å; V19-A149 HydrophobicContact CG1-CB 4.26Å; V19-C151 WeakPolarHBondContact CG2-SG 3.36Å; V19-V165 HydrophobicContact CG1-CG1 4.34Å
20T97.4Very high95.6Very high13 Ų1333 Ų338%0.0818%0.18CC..EExtended strand (participates in β ladder)trans-127.3125.4176.5-56.60000110.1K11 K12 S13 Y22 I42 L43K11-T20 HydrophobicContact CB-CG2 4.25Å; K12-T20 WeakPolarHBondContact O-CA 3.34Å; S13-T20 WeakPolarHBondContact OG-CG2 3.21Å; S13-T20 PolarHBondContact OG-OG1 3.42Å; T20-Y22 HydrophobicContact CG2-CD2 4.18Å; T20-Y22 HydrophobicContact CG2-CE2 3.48Å; T20-Y22 VanDerWaalsContact CG2-CE2 3.48Å; T20-I42 CarbonylContact O-C 3.57Å; T20-I42 VanDerWaalsContact O-CA 3.3Å; T20-I42 WeakPolarHBondContact O-CA 3.49Å; T20-L43 PolarHBondContact N-O 3.19Å; T20-L43 PolarHBondContact O-N 2.87Å
21V98.1Very high95.1Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-96.9137.4177.2175.10000109.2K11 K12 L23 I42 F116 A149 V165 L167K11-V21 CarbonylContact C-O 3.6Å; K11-V21 WeakPolarHBondContact CA-O 3.39Å; K12-V21 PolarHBondContact N-O 2.92Å; K12-V21 PolarHBondContact O-N 3.15Å; V21-L23 HydrophobicContact CG1-CG 4.18Å; V21-I42 HydrophobicContact CG2-CD1 4.33Å; V21-I42 HydrophobicContact CG2-CG1 4.06Å; V21-F116 HydrophobicContact CG1-CE1 4.1Å; V21-F116 HydrophobicContact CG1-CZ 3.96Å; V21-A149 HydrophobicContact CG2-CB 3.48Å; V21-A149 VanDerWaalsContact CG2-CB 3.48Å; V21-V165 HydrophobicContact CB-CG1 4.41Å; V21-V165 HydrophobicContact CG2-CG1 3.47Å; V21-V165 VanDerWaalsContact CG2-CG1 3.47Å; V21-L167 HydrophobicContact CB-CD1 3.87Å; V21-L167 HydrophobicContact CB-CD2 4.26Å; V21-L167 HydrophobicContact CG1-CD1 3.9Å; V21-L167 HydrophobicContact CG1-CD2 4.02Å; V21-L167 HydrophobicContact CG2-CD1 3.99Å
22Y98.1Very high94.5Very high17 Ų1733.9 Ų33.97%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-120.5130.5175.6-63.4-101.3000109.8V9 F10 K11 T20 G40 V41 L43 L109 F396V9-Y22 HydrophobicContact CG1-CD1 4.06Å; F10-Y22 CarbonylContact O-C 3.47Å; F10-Y22 WeakPolarHBondContact O-CA 3.47Å; K11-Y22 HydrophobicContact CB-CD1 3.75Å; K11-Y22 HydrophobicContact CB-CE1 3.83Å; K11-Y22 HydrophobicContact CB-CG 4.3Å; K11-Y22 HydrophobicContact CD-CE1 3.88Å; K11-Y22 HydrophobicContact CG-CE1 4.48Å; T20-Y22 HydrophobicContact CG2-CD2 4.18Å; T20-Y22 HydrophobicContact CG2-CE2 3.48Å; T20-Y22 VanDerWaalsContact CG2-CE2 3.48Å; Y22-G40 WeakPolarHBondContact O-CA 3.22Å; Y22-V41 PolarHBondContact N-O 3.26Å; Y22-V41 PolarHBondContact O-N 3.46Å; Y22-L43 HydrophobicContact CE2-CB 3.79Å; Y22-L43 HydrophobicContact CE2-CD2 4.49Å; Y22-L109 HydrophobicContact CD1-CD1 4.31Å; Y22-L109 HydrophobicContact CD2-CD1 3.75Å; Y22-L109 HydrophobicContact CE1-CD1 4.28Å; Y22-L109 HydrophobicContact CE1-CD2 3.98Å; Y22-L109 HydrophobicContact CE2-CD1 3.75Å; Y22-L109 HydrophobicContact CE2-CD2 4.2Å; Y22-L109 HydrophobicContact CG-CD1 4.05Å; Y22-F396 AromaticContact CD1-CD1 3.85Å; Y22-F396 HydrophobicContact CD1-CD1 3.85Å; Y22-F396 AromaticContact CD1-CE1 3.61Å; Y22-F396 HydrophobicContact CD1-CE1 3.61Å; Y22-F396 AromaticContact CE1-CD1 3.79Å; Y22-F396 HydrophobicContact CE1-CD1 3.79Å; Y22-F396 AromaticContact CE1-CE1 3.6Å; Y22-F396 HydrophobicContact CE1-CE1 3.6Å; Y22-F396 HydrophobicContact CE1-CZ 4.26Å
23L97.7Very high93.9Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-133.7140.2179-70.2172.8000110.3F10 V21 K25 V38 F116 I147 L167 I169 F399F10-L23 PolarHBondContact N-O 3.37Å; F10-L23 PolarHBondContact O-N 2.9Å; V21-L23 HydrophobicContact CG1-CG 4.18Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-V38 HydrophobicContact CD2-CG1 4.29Å; L23-F116 HydrophobicContact CD2-CE2 4.29Å; L23-F116 HydrophobicContact CD2-CZ 3.79Å; L23-I147 HydrophobicContact CD1-CD1 3.78Å; L23-I147 HydrophobicContact CD2-CD1 4.34Å; L23-L167 HydrophobicContact CD1-CD2 4Å; L23-I169 HydrophobicContact CD1-CG2 4.13Å; L23-F399 HydrophobicContact CD1-CD2 4.29Å; L23-F399 HydrophobicContact CD1-CE2 3.76Å
24G95Very high93.5Very high24 Ų2438.7 Ų38.725%0.24721%0.208CC..SBendtrans-73.5-24.4175.800000113.8
25K94.2Very high93.3Very high64 Ų6439 Ų3928%0.27821%0.21SC..  trans-147.3156.5-176.962-166-178.6-173.90112L23 D27 F28 D36L23-K25 VanDerWaalsContact C-N 3.33Å; K25-D27 WeakPolarHBondContact CD-O 3.46Å; K25-D27 WeakPolarHBondContact CG-O 3.48Å; K25-F28 HydrophobicContact CD-CD1 4.17Å; K25-F28 HydrophobicContact CD-CE1 3.98Å; K25-F28 HydrophobicContact CD-CZ 4.44Å; K25-F28 HydrophobicContact CG-CD1 4.15Å; K25-F28 HydrophobicContact CG-CD2 4.5Å; K25-F28 HydrophobicContact CG-CE1 3.59Å; K25-F28 HydrophobicContact CG-CE2 4.06Å; K25-F28 HydrophobicContact CG-CZ 3.57Å; K25-D36 VanDerWaalsContact NZ-CB 3.31Å; K25-D36 IonicContact NZ-OD2 2.7Å; K25-D36 PolarHBondContact NZ-OD2 2.99Å
26R94.8Very high93.3Very high34 Ų3436.7 Ų36.713%0.12819%0.193CC..SBendtrans-100-19.3173.6-48-172-173135.4-11.2112.5F10 I169 R170 D398 F399 A400 R401F10-R26 HydrophobicContact CD1-CG 4.36Å; F10-R26 VanDerWaalsContact CD1-CZ 3.4Å; F10-R26 HydrophobicContact CD2-CG 3.69Å; F10-R26 HydrophobicContact CE1-CG 4.49Å; F10-R26 HydrophobicContact CE2-CG 3.86Å; F10-R26 HydrophobicContact CG-CG 3.94Å; F10-R26 HydrophobicContact CZ-CG 4.25Å; R26-I169 CarbonylContact O-C 3.52Å; R26-I169 VanDerWaalsContact O-CA 3.26Å; R26-I169 WeakPolarHBondContact O-CA 3.48Å; R26-I169 WeakPolarHBondContact O-CB 3.49Å; R26-R170 PolarHBondContact O-N 2.92Å; R26-D398 PolarHBondContact NH2-O 2.9Å; R26-F399 HydrophobicContact CB-CE2 4Å; R26-F399 HydrophobicContact CB-CZ 4.08Å; R26-F399 WeakPolarHBondContact CD-O 3.49Å; R26-F399 HydrophobicContact CG-CD2 4Å; R26-F399 HydrophobicContact CG-CE2 3.62Å; R26-F399 HydrophobicContact CG-CZ 4.05Å; R26-F399 PolarHBondContact NE-O 2.84Å; R26-A400 PolarHBondContact NH2-O 3.23Å; R26-A400 VanDerWaalsContact NH2-O 3.16Å; R26-R401 PolarHBondContact O-NH2 3.13Å
27D94.8Very high93.3Very high42 Ų4238.7 Ų38.723%0.22521%0.208CC..EExtended strand (participates in β ladder)trans-120.1130.2-176.5-57.3-24.3000108.7K25 R170 V172 R401K25-D27 WeakPolarHBondContact CD-O 3.46Å; K25-D27 WeakPolarHBondContact CG-O 3.48Å; D27-R170 CarbonylContact C-O 3.53Å; D27-R170 WeakPolarHBondContact CA-O 3.39Å; D27-R170 WeakPolarHBondContact OD1-CB 3.47Å; D27-R170 IonicContact OD1-CZ 3.49Å; D27-R170 IonicContact OD1-NE 2.71Å; D27-R170 PolarHBondContact OD1-NE 2.96Å; D27-R170 IonicContact OD1-NH2 3.8Å; D27-R170 PolarHBondContact OD1-NH2 2.65Å; D27-R170 IonicContact OD2-CZ 3.74Å; D27-R170 IonicContact OD2-NE 2.72Å; D27-R170 IonicContact OD2-NH2 2.68Å; D27-R170 PolarHBondContact OD2-NH2 3.22Å; D27-V172 HydrophobicContact CB-CG1 4.41Å; D27-V172 HydrophobicContact CB-CG2 4.24Å; D27-R401 IonicContact OD1-CZ 2.82Å; D27-R401 IonicContact OD1-NH1 3.29Å; D27-R401 PolarHBondContact OD1-NH1 2.79Å; D27-R401 VanDerWaalsContact OD1-NH1 3.1Å; D27-R401 IonicContact OD1-NH2 2.7Å; D27-R401 PolarHBondContact OD1-NH2 2.92Å; D27-R401 IonicContact OD2-NH1 3.45Å; D27-R401 PolarHBondContact OD2-NH1 2.99Å
28F94.6Very high93.4Very high1 Ų134.1 Ų34.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-118.8124-176-67-95.1000108.4K25 D36 P37 V38 I120 I169 R170 K171 V172K25-F28 HydrophobicContact CD-CD1 4.17Å; K25-F28 HydrophobicContact CD-CE1 3.98Å; K25-F28 HydrophobicContact CD-CZ 4.44Å; K25-F28 HydrophobicContact CG-CD1 4.15Å; K25-F28 HydrophobicContact CG-CD2 4.5Å; K25-F28 HydrophobicContact CG-CE1 3.59Å; K25-F28 HydrophobicContact CG-CE2 4.06Å; K25-F28 HydrophobicContact CG-CZ 3.57Å; F28-D36 HydrophobicContact CB-CB 4.22Å; F28-D36 HydrophobicContact CD1-CB 4.23Å; F28-P37 WeakPolarHBondContact CD1-O 3.45Å; F28-P37 VanDerWaalsContact CE1-O 3.27Å; F28-P37 WeakPolarHBondContact CE1-O 3.23Å; F28-V38 HydrophobicContact CD1-CB 4.36Å; F28-V38 HydrophobicContact CD1-CG2 3.72Å; F28-V38 HydrophobicContact CD2-CG2 4.24Å; F28-V38 VanDerWaalsContact CE1-CA 3.44Å; F28-V38 HydrophobicContact CE1-CB 3.96Å; F28-V38 HydrophobicContact CE1-CG1 4.19Å; F28-V38 HydrophobicContact CE1-CG2 3.76Å; F28-V38 HydrophobicContact CE2-CG2 4.22Å; F28-V38 HydrophobicContact CG-CG2 4.01Å; F28-V38 HydrophobicContact CZ-CB 4.2Å; F28-V38 HydrophobicContact CZ-CG1 3.94Å; F28-V38 HydrophobicContact CZ-CG2 3.99Å; F28-I120 HydrophobicContact CB-CD1 4.45Å; F28-I169 HydrophobicContact CD2-CB 3.98Å; F28-I169 HydrophobicContact CD2-CD1 3.66Å; F28-I169 HydrophobicContact CD2-CG1 4.33Å; F28-I169 HydrophobicContact CD2-CG2 4.4Å; F28-I169 HydrophobicContact CE2-CB 3.85Å; F28-I169 HydrophobicContact CE2-CD1 3.76Å; F28-I169 HydrophobicContact CE2-CG1 4.4Å; F28-I169 HydrophobicContact CE2-CG2 3.75Å; F28-I169 HydrophobicContact CG-CD1 4.47Å; F28-R170 PolarHBondContact N-O 3.27Å; F28-K171 WeakPolarHBondContact O-CA 3.37Å; F28-V172 PolarHBondContact O-N 2.88Å
29V93.1Very high93.4Very high13 Ų1332.4 Ų32.48%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-83.7132.1-170.6-172.50000110.5V35 D36 V172 Y174V29-V35 CarbonylContact O-C 3.5Å; V29-V35 WeakPolarHBondContact O-CA 3.42Å; V29-D36 WeakPolarHBondContact CB-OD2 3.42Å; V29-D36 WeakPolarHBondContact CG2-OD2 3.17Å; V29-D36 PolarHBondContact N-OD2 3.16Å; V29-D36 PolarHBondContact O-N 2.8Å; V29-V172 CarbonylContact C-O 3.59Å; V29-V172 WeakPolarHBondContact CA-O 3.32Å; V29-V172 HydrophobicContact CG2-CG2 4.36Å; V29-Y174 HydrophobicContact CB-CD2 4.3Å; V29-Y174 HydrophobicContact CB-CE2 4.27Å; V29-Y174 HydrophobicContact CG1-CD2 3.45Å; V29-Y174 VanDerWaalsContact CG1-CD2 3.45Å; V29-Y174 HydrophobicContact CG1-CE2 3.92Å; V29-Y174 HydrophobicContact CG1-CG 4.37Å; V29-Y174 HydrophobicContact CG2-CD2 3.8Å; V29-Y174 HydrophobicContact CG2-CE2 3.31Å
30D92.1Very high93.5Very high8 Ų832.4 Ų32.44%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-93.8113.7164.4176.610.9000109.1L32 V35 K171 V172 Q173D30-L32 VanDerWaalsContact C-N 3.28Å; D30-L32 WeakPolarHBondContact OD1-CA 3.37Å; D30-L32 PolarHBondContact OD1-N 3.14Å; D30-V35 HydrophobicContact CB-CG2 4.15Å; D30-K171 HydrophobicContact CB-CG 4.26Å; D30-K171 IonicContact OD2-NZ 2.93Å; D30-K171 PolarHBondContact OD2-NZ 2.88Å; D30-V172 PolarHBondContact N-O 2.87Å; D30-Q173 HydrophobicContact CB-CG 3.72Å; D30-Q173 PolarHBondContact OD2-NE2 3.23Å
31H88.1Confident93.5Very high71 Ų7131.8 Ų31.833%0.32917%0.167SC..  trans-90.48.5179.5-55.3-81.9000112.4D33 Q34 D36H31-D33 VanDerWaalsContact CB-OD1 3.24Å; H31-D33 WeakPolarHBondContact CB-OD1 3.31Å; H31-D33 PolarHBondContact O-N 3.42Å; H31-D33 VanDerWaalsContact O-OD1 3.12Å; H31-Q34 HydrophobicContact CB-CG 4.29Å; H31-Q34 WeakPolarHBondContact CB-O 3.23Å; H31-Q34 PolarHBondContact CD2-O 2.61Å; H31-Q34 PolarHBondContact N-O 3.34Å; H31-D36 IonicContact CD2-OD1 2.69Å; H31-D36 IonicContact CE1-OD1 2.78Å; H31-D36 IonicContact NE2-OD1 3.61Å; H31-D36 PolarHBondContact NE2-OD1 2.77Å
32L83Confident93.4Very high48 Ų4831.8 Ų31.825%0.25117%0.167SC..SBendtrans70.4-32.7-173.1-47.3169.9000114.4D30 I306 K308D30-L32 VanDerWaalsContact C-N 3.28Å; D30-L32 WeakPolarHBondContact OD1-CA 3.37Å; D30-L32 PolarHBondContact OD1-N 3.14Å; L32-I306 HydrophobicContact CD1-CG2 3.89Å; L32-I306 HydrophobicContact CD2-CB 3.98Å; L32-I306 HydrophobicContact CD2-CG2 3.8Å; L32-K308 HydrophobicContact CB-CD 4.2Å; L32-K308 HydrophobicContact CB-CG 4.36Å; L32-K308 VanDerWaalsContact O-CD 3.32Å; L32-K308 WeakPolarHBondContact O-CD 3.16Å; L32-K308 VanDerWaalsContact O-CE 3.26Å; L32-K308 WeakPolarHBondContact O-CE 3.33Å; L32-K308 PolarHBondContact O-NZ 3.45Å
33D84.5Confident93.4Very high93 Ų9333.2 Ų33.250%0.49718%0.176SC..SBendtrans-99.2-18.9176.167.8-28.3000113.5H31 Q122H31-D33 VanDerWaalsContact CB-OD1 3.24Å; H31-D33 WeakPolarHBondContact CB-OD1 3.31Å; H31-D33 PolarHBondContact O-N 3.42Å; H31-D33 VanDerWaalsContact O-OD1 3.12Å; D33-Q122 VanDerWaalsContact C-NE2 3.32Å; D33-Q122 PolarHBondContact O-NE2 3.16Å
34Q87.8Confident93.3Very high115 Ų11533.4 Ų33.454%0.53718%0.177SC..  trans-157.3157.8171.461.8-178.89.600110.1H31H31-Q34 HydrophobicContact CB-CG 4.29Å; H31-Q34 WeakPolarHBondContact CB-O 3.23Å; H31-Q34 PolarHBondContact CD2-O 2.61Å; H31-Q34 PolarHBondContact N-O 3.34Å
35V92.6Very high93.2Very high10 Ų1034.1 Ų34.16%0.06118%0.175CC..BIsolated β-bridgetrans-110.8135.9170.4-172.60000107.6V29 D30 I120 Q122 K171V29-V35 CarbonylContact O-C 3.5Å; V29-V35 WeakPolarHBondContact O-CA 3.42Å; D30-V35 HydrophobicContact CB-CG2 4.15Å; V35-I120 HydrophobicContact CB-CB 4.09Å; V35-I120 HydrophobicContact CB-CG2 4.45Å; V35-I120 HydrophobicContact CG1-CB 3.84Å; V35-I120 HydrophobicContact CG1-CD1 4.14Å; V35-I120 HydrophobicContact CG1-CG2 4.11Å; V35-I120 HydrophobicContact CG2-CG2 4.42Å; V35-Q122 HydrophobicContact CG2-CG 4.3Å; V35-K171 HydrophobicContact CG1-CG 4.47Å
36D94.2Very high93.1Very high30 Ų3034.1 Ų34.116%0.1618%0.182CC..  trans-45.8126.8171.5-82.3-3.6000110.6K25 F28 V29 H31K25-D36 VanDerWaalsContact NZ-CB 3.31Å; K25-D36 IonicContact NZ-OD2 2.7Å; K25-D36 PolarHBondContact NZ-OD2 2.99Å; F28-D36 HydrophobicContact CB-CB 4.22Å; F28-D36 HydrophobicContact CD1-CB 4.23Å; V29-D36 WeakPolarHBondContact CB-OD2 3.42Å; V29-D36 WeakPolarHBondContact CG2-OD2 3.17Å; V29-D36 PolarHBondContact N-OD2 3.16Å; V29-D36 PolarHBondContact O-N 2.8Å; H31-D36 IonicContact CD2-OD1 2.69Å; H31-D36 IonicContact CE1-OD1 2.78Å; H31-D36 IonicContact NE2-OD1 3.61Å; H31-D36 PolarHBondContact NE2-OD1 2.77Å
37P94.5Very high92.9Very high69 Ų6940.2 Ų40.245%0.44821%0.211SC..  trans-65.8148.9177.328.5-34.3000110.2F28 F118F28-P37 WeakPolarHBondContact CD1-O 3.45Å; F28-P37 VanDerWaalsContact CE1-O 3.27Å; F28-P37 WeakPolarHBondContact CE1-O 3.23Å; P37-F118 WeakPolarHBondContact CA-O 3.47Å
38V96.5Very high92.7Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-89.2102.9170.1179.50000107.7L23 F28 L58 F116 Y117 F118 I120 I147 I169L23-V38 HydrophobicContact CD2-CG1 4.29Å; F28-V38 HydrophobicContact CD1-CB 4.36Å; F28-V38 HydrophobicContact CD1-CG2 3.72Å; F28-V38 HydrophobicContact CD2-CG2 4.24Å; F28-V38 VanDerWaalsContact CE1-CA 3.44Å; F28-V38 HydrophobicContact CE1-CB 3.96Å; F28-V38 HydrophobicContact CE1-CG1 4.19Å; F28-V38 HydrophobicContact CE1-CG2 3.76Å; F28-V38 HydrophobicContact CE2-CG2 4.22Å; F28-V38 HydrophobicContact CG-CG2 4.01Å; F28-V38 HydrophobicContact CZ-CB 4.2Å; F28-V38 HydrophobicContact CZ-CG1 3.94Å; F28-V38 HydrophobicContact CZ-CG2 3.99Å; V38-L58 HydrophobicContact CG2-CD2 4.41Å; V38-F116 HydrophobicContact CG1-CE2 4.43Å; V38-Y117 CarbonylContact O-C 3.6Å; V38-Y117 WeakPolarHBondContact O-CA 3.15Å; V38-F118 HydrophobicContact CB-CB 4.18Å; V38-F118 HydrophobicContact CG1-CD2 4.46Å; V38-F118 PolarHBondContact N-O 3.23Å; V38-F118 PolarHBondContact O-N 2.67Å; V38-I120 HydrophobicContact CG2-CD1 3.77Å; V38-I120 HydrophobicContact CG2-CG1 4.18Å; V38-I147 HydrophobicContact CG1-CD1 3.58Å; V38-I169 HydrophobicContact CG1-CD1 4.49Å; V38-I169 HydrophobicContact CG2-CD1 3.69Å
39D94.9Very high92.4Very high28 Ų2841.1 Ų41.115%0.1521%0.212CC..EExtended strand (participates in β ladder)trans-112.7136.4175.466.4-43.5000111.4S99D39-S99 WeakPolarHBondContact OD2-CB 3.42Å; D39-S99 PolarHBondContact OD2-OG 3.2Å
40G96.9Very high92.3Very high0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-157.6179-179.400000113.3Y22 Q102 P115 F116Y22-G40 WeakPolarHBondContact O-CA 3.22Å; G40-Q102 PolarHBondContact O-NE2 3.24Å; G40-P115 WeakPolarHBondContact O-CA 3.35Å; G40-F116 PolarHBondContact N-O 3.02Å; G40-F116 VanDerWaalsContact N-O 3.07Å; G40-F116 WeakPolarHBondContact O-CD1 3.34Å; G40-F116 PolarHBondContact O-N 2.92Å
41V97.5Very high92.2Very high0 Ų053.5 Ų53.50%027%0.27CS..EExtended strand (participates in β ladder)trans-131.7141.5177.5179.20000109.4Y22 Q102 L105 L106 L109 A113 H114Y22-V41 PolarHBondContact N-O 3.26Å; Y22-V41 PolarHBondContact O-N 3.46Å; V41-Q102 HydrophobicContact CG2-CB 4.25Å; V41-Q102 HydrophobicContact CG2-CG 4.04Å; V41-L105 HydrophobicContact CB-CB 4.34Å; V41-L105 HydrophobicContact CB-CD1 4.28Å; V41-L105 HydrophobicContact CG2-CB 3.78Å; V41-L105 HydrophobicContact CG2-CD1 3.94Å; V41-L106 HydrophobicContact CG1-CD2 3.97Å; V41-L106 HydrophobicContact CG2-CD2 4.46Å; V41-L106 HydrophobicContact CG2-CG 4.43Å; V41-L109 HydrophobicContact CB-CD1 4.49Å; V41-L109 HydrophobicContact CG1-CD1 3.9Å; V41-A113 HydrophobicContact CG1-CB 3.71Å; V41-H114 CarbonylContact C-O 3.53Å; V41-H114 WeakPolarHBondContact CA-O 3.24Å
42I97.3Very high92.5Very high0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-113.7126.1174-60.9177.9000109V19 T20 V21 V44 V54 V56 A87 A113 H114 F116 A149V19-I42 HydrophobicContact CG1-CG2 3.72Å; T20-I42 CarbonylContact O-C 3.57Å; T20-I42 VanDerWaalsContact O-CA 3.3Å; T20-I42 WeakPolarHBondContact O-CA 3.49Å; V21-I42 HydrophobicContact CG2-CD1 4.33Å; V21-I42 HydrophobicContact CG2-CG1 4.06Å; I42-V44 HydrophobicContact CG2-CG2 3.69Å; I42-V54 HydrophobicContact CD1-CG1 4.36Å; I42-V54 HydrophobicContact CG2-CG1 4.28Å; I42-V56 HydrophobicContact CD1-CB 4.38Å; I42-V56 HydrophobicContact CD1-CG1 4.45Å; I42-V56 HydrophobicContact CD1-CG2 3.13Å; I42-V56 HydrophobicContact CG1-CG2 4.46Å; I42-A87 HydrophobicContact CD1-CB 4.24Å; I42-A113 CarbonylContact O-C 3.57Å; I42-A113 WeakPolarHBondContact O-CA 3.28Å; I42-H114 PolarHBondContact N-O 2.75Å; I42-H114 PolarHBondContact O-N 2.7Å; I42-F116 HydrophobicContact CD1-CD1 3.87Å; I42-F116 HydrophobicContact CD1-CE1 4.11Å; I42-F116 HydrophobicContact CG1-CD1 3.64Å; I42-F116 HydrophobicContact CG1-CE1 3.66Å; I42-A149 HydrophobicContact CD1-CB 3.71Å
43L97Very high93Very high48 Ų4853.5 Ų53.525%0.25127%0.266SS..EExtended strand (participates in β ladder)trans-94.2126168.1-176.966.7000109.1V19 T20 Y22 L109 Q112 A113V19-L43 WeakPolarHBondContact CA-O 3.32Å; T20-L43 PolarHBondContact N-O 3.19Å; T20-L43 PolarHBondContact O-N 2.87Å; Y22-L43 HydrophobicContact CE2-CB 3.79Å; Y22-L43 HydrophobicContact CE2-CD2 4.49Å; L43-L109 HydrophobicContact CD1-CB 4.49Å; L43-Q112 HydrophobicContact CD1-CB 4.03Å; L43-A113 HydrophobicContact CD1-CB 4.44Å
44V95.4Very high93.6Very high4 Ų449.1 Ų49.12%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-120.5140.4-176.9-172.90000109.4I42 P46 L49 V54 Q112I42-V44 HydrophobicContact CG2-CG2 3.69Å; V44-P46 WeakPolarHBondContact O-CD 3.4Å; V44-L49 HydrophobicContact CG1-CB 4.33Å; V44-L49 HydrophobicContact CG1-CD1 4.15Å; V44-L49 HydrophobicContact CG1-CD2 4Å; V44-L49 HydrophobicContact CG1-CG 4.42Å; V44-V54 HydrophobicContact CG1-CG2 3.93Å; V44-V54 HydrophobicContact CG2-CB 4.45Å; V44-V54 HydrophobicContact CG2-CG1 4.27Å; V44-V54 HydrophobicContact CG2-CG2 3.78Å; V44-Q112 PolarHBondContact N-O 3.43Å; V44-Q112 VanDerWaalsContact N-O 3.11Å; V44-Q112 WeakPolarHBondContact O-CB 3.37Å
45D94.1Very high94Very high38 Ų3844.1 Ų44.120%0.20322%0.219CC..  trans-78.9116.4169.9-175.1-36.1000110.5K18 E47 Y48 L49K18-D45 HydrophobicContact CB-CB 4.19Å; K18-D45 HydrophobicContact CD-CB 3.68Å; K18-D45 WeakPolarHBondContact CD-OD2 3.49Å; K18-D45 WeakPolarHBondContact CE-OD2 3.43Å; K18-D45 IonicContact NZ-OD2 2.77Å; K18-D45 PolarHBondContact NZ-OD2 2.96Å; K18-D45 PolarHBondContact O-N 3.09Å; D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.11Å; D45-E47 WeakPolarHBondContact OD1-CB 3.49Å; D45-E47 PolarHBondContact OD1-N 3.3Å; D45-Y48 WeakPolarHBondContact O-CB 3.25Å; D45-Y48 PolarHBondContact O-N 3.07Å; D45-Y48 PolarHBondContact OD1-N 3.14Å; D45-L49 PolarHBondContact O-N 3.28Å; D45-L49 VanDerWaalsContact O-N 3.09Å
46P91.6Very high94.2Very high65 Ų6543.6 Ų43.642%0.42222%0.216SC..Hα-helixtrans-65-33.5-177.725.1-33.4000113.4V44 Y48 L49 Q112V44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-Y48 PolarHBondContact O-N 3.12Å; P46-L49 PolarHBondContact O-N 3.07Å; P46-Q112 HydrophobicContact CG-CG 4.15Å
47E91.4Very high94.3Very high161 Ų16143 Ų4375%0.75221%0.213SC*.Hα-helixtrans-66.5-31.1177.9-60.3-176.1170.700111.2D45D45-E47 VanDerWaalsContact C-N 3.34Å; D45-E47 PolarHBondContact O-N 3.11Å; D45-E47 WeakPolarHBondContact OD1-CB 3.49Å; D45-E47 PolarHBondContact OD1-N 3.3Å
48Y90.3Very high94.5Very high55 Ų5539.7 Ų39.722%0.21619%0.192CC..Hα-helixtrans-74.6-40.8174.1-168.5-111.8000111.4N16 K18 D45 P46 K50 R52 C151 N163N16-Y48 VanDerWaalsContact ND2-CZ 3.27Å; N16-Y48 PolarHBondContact ND2-OH 2.64Å; K18-Y48 HydrophobicContact CB-CD1 3.55Å; K18-Y48 HydrophobicContact CB-CD2 4.37Å; K18-Y48 HydrophobicContact CB-CE1 4.11Å; K18-Y48 HydrophobicContact CB-CG 3.71Å; K18-Y48 HydrophobicContact CD-CD2 4.46Å; K18-Y48 HydrophobicContact CD-CG 4.22Å; K18-Y48 HydrophobicContact CG-CD1 3.95Å; K18-Y48 HydrophobicContact CG-CD2 3.82Å; K18-Y48 HydrophobicContact CG-CE1 4.44Å; K18-Y48 HydrophobicContact CG-CE2 4.34Å; K18-Y48 HydrophobicContact CG-CG 3.61Å; D45-Y48 WeakPolarHBondContact O-CB 3.25Å; D45-Y48 PolarHBondContact O-N 3.07Å; D45-Y48 PolarHBondContact OD1-N 3.14Å; P46-Y48 PolarHBondContact O-N 3.12Å; Y48-K50 PolarHBondContact O-N 2.81Å; Y48-R52 VanDerWaalsContact CE2-NH2 3.32Å; Y48-R52 PolarHBondContact O-NH2 3.43Å; Y48-R52 PolarHBondContact OH-NH1 3.26Å; Y48-C151 HydrophobicContact CE1-CB 4.42Å; Y48-N163 HydrophobicContact CE1-CB 3.84Å; Y48-N163 WeakPolarHBondContact OH-CB 3.23Å
49L88.1Confident94.4Very high7 Ų740.2 Ų40.24%0.03720%0.195CC..Hα-helixtrans-60-47.7-168.5-166.452.6000113.5V44 D45 P46 D51 R52 V54 F88V44-L49 HydrophobicContact CG1-CB 4.33Å; V44-L49 HydrophobicContact CG1-CD1 4.15Å; V44-L49 HydrophobicContact CG1-CD2 4Å; V44-L49 HydrophobicContact CG1-CG 4.42Å; D45-L49 PolarHBondContact O-N 3.28Å; D45-L49 VanDerWaalsContact O-N 3.09Å; P46-L49 PolarHBondContact O-N 3.07Å; L49-D51 PolarHBondContact O-N 3.38Å; L49-R52 HydrophobicContact CD1-CB 4.33Å; L49-R52 WeakPolarHBondContact CD1-O 3.37Å; L49-R52 VanDerWaalsContact O-CB 3.25Å; L49-R52 WeakPolarHBondContact O-CB 3.41Å; L49-R52 PolarHBondContact O-N 3.36Å; L49-V54 HydrophobicContact CD1-CG2 3.58Å; L49-F88 HydrophobicContact CD1-CD1 4.27Å; L49-F88 HydrophobicContact CD2-CD1 3.25Å; L49-F88 HydrophobicContact CD2-CD2 4.31Å; L49-F88 HydrophobicContact CD2-CE1 3.19Å; L49-F88 HydrophobicContact CD2-CE2 4.26Å; L49-F88 HydrophobicContact CD2-CG 3.82Å; L49-F88 HydrophobicContact CD2-CZ 3.72Å; L49-F88 HydrophobicContact CG-CD1 4.03Å; L49-F88 HydrophobicContact CG-CE1 3.94Å
50K89.8Confident94.4Very high173 Ų17338.9 Ų38.975%0.75219%0.188SC*.THydrogen-bonded Turntrans49.8-120-178.4-58.6-176.4179.6-175.30111.7Y48Y48-K50 PolarHBondContact O-N 2.81Å
51D90.2Very high94.2Very high108 Ų10839 Ų3958%0.57819%0.188SC*.THydrogen-bonded Turntrans-90.24.9178.565.9-41.7000113.7L49 K153L49-D51 PolarHBondContact O-N 3.38Å; D51-K153 IonicContact OD1-NZ 4Å; D51-K153 WeakPolarHBondContact OD2-CE 3.47Å; D51-K153 IonicContact OD2-NZ 2.75Å; D51-K153 PolarHBondContact OD2-NZ 3.02Å
52R94.1Very high93.8Very high46 Ų4639 Ų3917%0.17419%0.188CC..  trans-88.5162.5-178-61.6-179.6-72.7177.5-5111.9Y48 L49 K153Y48-R52 VanDerWaalsContact CE2-NH2 3.32Å; Y48-R52 PolarHBondContact O-NH2 3.43Å; Y48-R52 PolarHBondContact OH-NH1 3.26Å; L49-R52 HydrophobicContact CD1-CB 4.33Å; L49-R52 WeakPolarHBondContact CD1-O 3.37Å; L49-R52 VanDerWaalsContact O-CB 3.25Å; L49-R52 WeakPolarHBondContact O-CB 3.41Å; L49-R52 PolarHBondContact O-N 3.36Å; R52-K153 HydrophobicContact CG-CG 3.97Å
53K95Very high93.3Very high74 Ų7440.7 Ų40.732%0.32220%0.195SC..EExtended strand (participates in β ladder)trans-105.8162.9175.4-57.2179169.7-1700110F55 F88 C151 A152K53-F55 HydrophobicContact CB-CD2 4.35Å; K53-F55 HydrophobicContact CB-CE2 3.65Å; K53-F55 HydrophobicContact CB-CZ 3.78Å; K53-F55 HydrophobicContact CD-CE1 4.45Å; K53-F55 HydrophobicContact CD-CE2 4.21Å; K53-F55 HydrophobicContact CD-CZ 3.62Å; K53-F55 HydrophobicContact CG-CZ 4.37Å; K53-F88 CarbonylContact C-O 3.57Å; K53-F88 VanDerWaalsContact CA-O 3.23Å; K53-F88 WeakPolarHBondContact CA-O 3.47Å; K53-F88 VanDerWaalsContact CB-O 3.31Å; K53-F88 WeakPolarHBondContact CB-O 3.15Å; K53-C151 CarbonylContact O-C 3.55Å; K53-C151 VanDerWaalsContact O-CA 3.23Å; K53-C151 WeakPolarHBondContact O-CA 3.35Å; K53-A152 WeakPolarHBondContact CA-O 3.22Å; K53-A152 WeakPolarHBondContact CB-O 3.4Å; K53-A152 PolarHBondContact N-O 2.91Å; K53-A152 PolarHBondContact O-N 3.21Å
54V95.6Very high92.3Very high0 Ų038.5 Ų38.50%018%0.183CC..EExtended strand (participates in β ladder)trans-116.2122.4171.4-176.50000109.2I42 V44 L49 Q86 A87 F88 F150I42-V54 HydrophobicContact CD1-CG1 4.36Å; I42-V54 HydrophobicContact CG2-CG1 4.28Å; V44-V54 HydrophobicContact CG1-CG2 3.93Å; V44-V54 HydrophobicContact CG2-CB 4.45Å; V44-V54 HydrophobicContact CG2-CG1 4.27Å; V44-V54 HydrophobicContact CG2-CG2 3.78Å; L49-V54 HydrophobicContact CD1-CG2 3.58Å; V54-Q86 CarbonylContact O-C 3.58Å; V54-A87 HydrophobicContact CG1-CB 4.35Å; V54-A87 PolarHBondContact O-N 3.36Å; V54-F88 HydrophobicContact CB-CB 4Å; V54-F88 HydrophobicContact CG2-CB 4.12Å; V54-F88 PolarHBondContact N-O 3.18Å; V54-F88 PolarHBondContact O-N 2.86Å; V54-F150 WeakPolarHBondContact CA-O 3.4Å
55F96.5Very high90.8Very high10 Ų1038.7 Ų38.74%0.04419%0.186CC..EExtended strand (participates in β ladder)trans-113.4150.4177.9-60.5-78.3000110.2K53 T84 F85 Q86 A149 F150 A152 I155K53-F55 HydrophobicContact CB-CD2 4.35Å; K53-F55 HydrophobicContact CB-CE2 3.65Å; K53-F55 HydrophobicContact CB-CZ 3.78Å; K53-F55 HydrophobicContact CD-CE1 4.45Å; K53-F55 HydrophobicContact CD-CE2 4.21Å; K53-F55 HydrophobicContact CD-CZ 3.62Å; K53-F55 HydrophobicContact CG-CZ 4.37Å; F55-T84 HydrophobicContact CB-CG2 4.34Å; F55-T84 HydrophobicContact CD1-CG2 4.22Å; F55-F85 WeakPolarHBondContact CA-O 3.18Å; F55-Q86 HydrophobicContact CD1-CB 4.05Å; F55-Q86 HydrophobicContact CD1-CG 4.02Å; F55-Q86 HydrophobicContact CE1-CB 4.02Å; F55-Q86 HydrophobicContact CE1-CG 3.73Å; F55-Q86 HydrophobicContact CZ-CG 4.48Å; F55-A149 VanDerWaalsContact O-CA 3.3Å; F55-A149 WeakPolarHBondContact O-CA 3.47Å; F55-F150 HydrophobicContact CB-CD2 4.39Å; F55-F150 HydrophobicContact CB-CE1 3.99Å; F55-F150 HydrophobicContact CB-CE2 3.82Å; F55-F150 HydrophobicContact CB-CZ 3.6Å; F55-F150 HydrophobicContact CD2-CD2 4.39Å; F55-F150 AromaticContact CD2-CE2 3.78Å; F55-F150 HydrophobicContact CD2-CE2 3.78Å; F55-F150 HydrophobicContact CD2-CZ 4.31Å; F55-F150 HydrophobicContact CG-CE2 4.18Å; F55-F150 HydrophobicContact CG-CZ 4.26Å; F55-F150 PolarHBondContact N-O 2.81Å; F55-F150 PolarHBondContact O-N 3.47Å; F55-A152 HydrophobicContact CD2-CB 4.32Å; F55-A152 HydrophobicContact CE2-CB 4.33Å; F55-I155 HydrophobicContact CE1-CB 4.47Å; F55-I155 HydrophobicContact CZ-CB 4.46Å
56V97Very high89.3Confident0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-124.7133.9170.1-158.90000107.2I42 T84 F85 A87 F116 F118 I147 R148 A149I42-V56 HydrophobicContact CD1-CB 4.38Å; I42-V56 HydrophobicContact CD1-CG1 4.45Å; I42-V56 HydrophobicContact CD1-CG2 3.13Å; I42-V56 HydrophobicContact CG1-CG2 4.46Å; V56-T84 CarbonylContact O-C 3.5Å; V56-T84 WeakPolarHBondContact O-CA 3.45Å; V56-F85 PolarHBondContact N-O 3.41Å; V56-F85 PolarHBondContact O-N 3.38Å; V56-A87 HydrophobicContact CG2-CB 4.06Å; V56-F116 HydrophobicContact CB-CD2 4.44Å; V56-F116 HydrophobicContact CB-CG 4.47Å; V56-F116 HydrophobicContact CG1-CD2 3.97Å; V56-F116 HydrophobicContact CG1-CE2 4.06Å; V56-F116 HydrophobicContact CG1-CG 4.32Å; V56-F116 HydrophobicContact CG1-CZ 4.47Å; V56-F116 HydrophobicContact CG2-CB 4.01Å; V56-F116 HydrophobicContact CG2-CD1 4.3Å; V56-F116 HydrophobicContact CG2-CD2 4.44Å; V56-F116 HydrophobicContact CG2-CG 4Å; V56-F118 HydrophobicContact CB-CE2 4.08Å; V56-F118 HydrophobicContact CB-CZ 3.99Å; V56-F118 HydrophobicContact CG1-CE2 3.77Å; V56-F118 HydrophobicContact CG1-CZ 4.12Å; V56-F118 WeakPolarHBondContact O-CZ 3.39Å; V56-I147 HydrophobicContact CG1-CG2 3.89Å; V56-R148 CarbonylContact C-O 3.49Å; V56-R148 WeakPolarHBondContact CA-O 3.38Å; V56-A149 HydrophobicContact CG1-CB 4.42Å
57T97.1Very high87.6Confident16 Ų1641.9 Ų41.910%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-119.2137.8173.461.80000109.6S83 T84 I147 R148 F150T57-S83 CarbonylContact C-O 3.56Å; T57-S83 VanDerWaalsContact CA-O 3.23Å; T57-S83 WeakPolarHBondContact CA-O 3.49Å; T57-T84 HydrophobicContact CG2-CG2 3.89Å; T57-I147 CarbonylContact O-C 3.53Å; T57-I147 VanDerWaalsContact O-CA 3.29Å; T57-I147 WeakPolarHBondContact O-CA 3.48Å; T57-R148 PolarHBondContact N-O 3.21Å; T57-R148 PolarHBondContact O-N 2.81Å; T57-R148 WeakPolarHBondContact OG1-CB 3.46Å; T57-R148 PolarHBondContact OG1-O 2.91Å; T57-F150 HydrophobicContact CG2-CE1 3.85Å; T57-F150 HydrophobicContact CG2-CZ 4.35Å
58L97.6Very high85.9Confident0 Ų038.5 Ų38.50%018%0.18CC..EExtended strand (participates in β ladder)trans-107.1114.8165.1176.464000108.5V38 I82 S83 F118 I120 F145 I147 I169V38-L58 HydrophobicContact CG2-CD2 4.41Å; L58-I82 WeakPolarHBondContact O-CA 3.29Å; L58-S83 PolarHBondContact N-O 3.32Å; L58-S83 PolarHBondContact O-N 3.27Å; L58-F118 HydrophobicContact CB-CB 4.34Å; L58-F118 HydrophobicContact CB-CD1 3.82Å; L58-F118 HydrophobicContact CB-CD2 3.81Å; L58-F118 HydrophobicContact CB-CE1 4.01Å; L58-F118 HydrophobicContact CB-CE2 4Å; L58-F118 HydrophobicContact CB-CG 3.71Å; L58-F118 HydrophobicContact CB-CZ 4.1Å; L58-F118 HydrophobicContact CD2-CB 3.54Å; L58-F118 HydrophobicContact CD2-CD1 4.42Å; L58-F118 HydrophobicContact CD2-CD2 4.35Å; L58-F118 HydrophobicContact CD2-CG 3.87Å; L58-F118 HydrophobicContact CG-CG 4.45Å; L58-I120 HydrophobicContact CD2-CD1 4.47Å; L58-I120 HydrophobicContact CD2-CG1 3.79Å; L58-F145 HydrophobicContact CD1-CD1 4.45Å; L58-I147 HydrophobicContact CD1-CG1 3.88Å; L58-I169 HydrophobicContact CD1-CD1 3.96Å
59T95.9Very high84.3Confident11 Ų1136.5 Ų36.57%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-114.5125.6179.2-57.80000110.5A61 D79 Y81 I82 F145 E146T59-A61 HydrophobicContact CG2-CB 4.26Å; T59-D79 HydrophobicContact CG2-CB 4.39Å; T59-D79 WeakPolarHBondContact CG2-OD1 3.24Å; T59-Y81 CarbonylContact C-O 3.59Å; T59-Y81 WeakPolarHBondContact CA-O 3.45Å; T59-I82 HydrophobicContact CG2-CG1 4.02Å; T59-F145 CarbonylContact O-C 3.5Å; T59-F145 WeakPolarHBondContact O-CA 3.33Å; T59-E146 PolarHBondContact N-O 3.42Å; T59-E146 PolarHBondContact O-N 3.01Å
60C95.1Very high82.9Confident0 Ų037 Ų370%018%0.176CC..EExtended strand (participates in β ladder)trans-96.5122.6163.3-177.30000107.6L80 Y81 L124 D144 F145C60-L80 HydrophobicContact CB-CB 4.43Å; C60-L80 PolarHBondContact O-N 2.68Å; C60-Y81 PolarHBondContact N-O 2.94Å; C60-Y81 PolarHBondContact O-N 3.26Å; C60-L124 HydrophobicContact CB-CD1 4.06Å; C60-D144 WeakPolarHBondContact CA-O 3.3Å; C60-F145 HydrophobicContact CB-CD1 3.96Å; C60-F145 HydrophobicContact CB-CE1 3.69Å; C60-F145 HydrophobicContact CB-CZ 4.08Å; C60-F145 WeakPolarHBondContact SG-CZ 3.34Å
61A91.7Very high81Confident2 Ų234.4 Ų34.42%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-133.5140.7-178.400000111.8T59 R77 K78 D79 V143 D144T59-A61 HydrophobicContact CG2-CB 4.26Å; A61-R77 HydrophobicContact CB-CG 4.21Å; A61-K78 CarbonylContact C-O 3.5Å; A61-K78 VanDerWaalsContact CA-O 3.24Å; A61-K78 WeakPolarHBondContact CA-O 3.33Å; A61-D79 WeakPolarHBondContact CB-OD1 3.42Å; A61-V143 WeakPolarHBondContact O-CA 3.41Å; A61-D144 PolarHBondContact N-O 2.93Å; A61-D144 PolarHBondContact O-N 3.01Å
62F90Very high79.4Confident0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-94.9129.2166.8-171-75.3000109.4Y64 R77 K78 L80 G142 V143 I242 L244 I318F62-Y64 HydrophobicContact CD1-CD1 4.33Å; F62-Y64 AromaticContact CD1-CD2 3.52Å; F62-Y64 HydrophobicContact CD1-CD2 3.52Å; F62-Y64 HydrophobicContact CD1-CE1 4.15Å; F62-Y64 AromaticContact CD1-CE2 3.29Å; F62-Y64 HydrophobicContact CD1-CE2 3.29Å; F62-Y64 HydrophobicContact CD1-CG 4.05Å; F62-Y64 AromaticContact CD1-CZ 3.63Å; F62-Y64 AromaticContact CE1-CD1 3.54Å; F62-Y64 HydrophobicContact CE1-CD1 3.54Å; F62-Y64 AromaticContact CE1-CD2 3.57Å; F62-Y64 HydrophobicContact CE1-CD2 3.57Å; F62-Y64 AromaticContact CE1-CE1 3.48Å; F62-Y64 HydrophobicContact CE1-CE1 3.48Å; F62-Y64 VanDerWaalsContact CE1-CE1 3.48Å; F62-Y64 AromaticContact CE1-CE2 3.5Å; F62-Y64 HydrophobicContact CE1-CE2 3.5Å; F62-Y64 AromaticContact CE1-CG 3.59Å; F62-Y64 HydrophobicContact CE1-CG 3.59Å; F62-Y64 AromaticContact CE1-CZ 3.45Å; F62-Y64 VanDerWaalsContact CE1-CZ 3.45Å; F62-Y64 HydrophobicContact CG-CE2 4.39Å; F62-Y64 HydrophobicContact CZ-CD1 4.37Å; F62-Y64 HydrophobicContact CZ-CE1 4.15Å; F62-R77 CarbonylContact O-C 3.55Å; F62-R77 WeakPolarHBondContact O-CA 3.31Å; F62-K78 HydrophobicContact CB-CB 4.44Å; F62-K78 PolarHBondContact N-O 2.86Å; F62-K78 PolarHBondContact O-N 2.79Å; F62-L80 HydrophobicContact CB-CD1 4.22Å; F62-L80 HydrophobicContact CB-CD2 4.29Å; F62-L80 HydrophobicContact CB-CG 4.3Å; F62-G142 CarbonylContact C-O 3.6Å; F62-G142 WeakPolarHBondContact CA-O 3.29Å; F62-V143 HydrophobicContact CD2-CG2 3.69Å; F62-V143 HydrophobicContact CE2-CG2 4.35Å; F62-I242 HydrophobicContact CE2-CG2 4.27Å; F62-I242 HydrophobicContact CZ-CG2 3.72Å; F62-L244 HydrophobicContact CB-CD1 4.25Å; F62-L244 HydrophobicContact CD2-CB 4.46Å; F62-L244 HydrophobicContact CD2-CD1 3.87Å; F62-L244 HydrophobicContact CE2-CB 4.38Å; F62-L244 HydrophobicContact CG-CD1 4.13Å; F62-I318 HydrophobicContact CE2-CD1 4.28Å; F62-I318 HydrophobicContact CE2-CG1 3.75Å; F62-I318 HydrophobicContact CZ-CG1 4.34Å
63R86.4Confident77.5Confident36 Ų3636.9 Ų36.914%0.13620%0.202CC..EExtended strand (participates in β ladder)trans-113131.6173.2-61.6179.4-177.3-81.1-2.3108.8F76 C141 G142 E146R63-F76 WeakPolarHBondContact CA-O 3.39Å; R63-C141 CarbonylContact O-C 3.5Å; R63-C141 WeakPolarHBondContact O-CA 3.32Å; R63-C141 PolarHBondContact O-SG 2.79Å; R63-C141 VanDerWaalsContact O-SG 3.32Å; R63-G142 PolarHBondContact N-O 3.01Å; R63-G142 PolarHBondContact O-N 3.03Å; R63-E146 IonicContact NH2-OE1 3.27Å; R63-E146 IonicContact NH2-OE2 3.03Å; R63-E146 PolarHBondContact NH2-OE2 2.87Å
64Y75.2Confident75.5Confident3 Ų339.4 Ų39.41%0.01222%0.218CC..  trans-88.7-38.6178.1-72.6-95.1000112.3F62 R66 L69 D70 F76 C141 I242 L244 F245F62-Y64 HydrophobicContact CD1-CD1 4.33Å; F62-Y64 AromaticContact CD1-CD2 3.52Å; F62-Y64 HydrophobicContact CD1-CD2 3.52Å; F62-Y64 HydrophobicContact CD1-CE1 4.15Å; F62-Y64 AromaticContact CD1-CE2 3.29Å; F62-Y64 HydrophobicContact CD1-CE2 3.29Å; F62-Y64 HydrophobicContact CD1-CG 4.05Å; F62-Y64 AromaticContact CD1-CZ 3.63Å; F62-Y64 AromaticContact CE1-CD1 3.54Å; F62-Y64 HydrophobicContact CE1-CD1 3.54Å; F62-Y64 AromaticContact CE1-CD2 3.57Å; F62-Y64 HydrophobicContact CE1-CD2 3.57Å; F62-Y64 AromaticContact CE1-CE1 3.48Å; F62-Y64 HydrophobicContact CE1-CE1 3.48Å; F62-Y64 VanDerWaalsContact CE1-CE1 3.48Å; F62-Y64 AromaticContact CE1-CE2 3.5Å; F62-Y64 HydrophobicContact CE1-CE2 3.5Å; F62-Y64 AromaticContact CE1-CG 3.59Å; F62-Y64 HydrophobicContact CE1-CG 3.59Å; F62-Y64 AromaticContact CE1-CZ 3.45Å; F62-Y64 VanDerWaalsContact CE1-CZ 3.45Å; F62-Y64 HydrophobicContact CG-CE2 4.39Å; F62-Y64 HydrophobicContact CZ-CD1 4.37Å; F62-Y64 HydrophobicContact CZ-CE1 4.15Å; Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 WeakPolarHBondContact O-CB 3.2Å; Y64-R66 PolarHBondContact O-N 2.81Å; Y64-L69 HydrophobicContact CD1-CB 4.06Å; Y64-L69 HydrophobicContact CD1-CD1 4.43Å; Y64-D70 VanDerWaalsContact CB-OD1 3.31Å; Y64-D70 WeakPolarHBondContact CB-OD1 3.36Å; Y64-F76 HydrophobicContact CD2-CB 3.78Å; Y64-F76 AromaticContact CD2-CD1 3.57Å; Y64-F76 HydrophobicContact CD2-CD1 3.57Å; Y64-F76 HydrophobicContact CD2-CG 4.09Å; Y64-F76 AromaticContact CE2-CD1 3.53Å; Y64-F76 HydrophobicContact CE2-CD1 3.53Å; Y64-F76 HydrophobicContact CE2-CE1 4.21Å; Y64-F76 HydrophobicContact CE2-CG 4.38Å; Y64-F76 HydrophobicContact CG-CB 4.36Å; Y64-F76 PolarHBondContact N-O 3.15Å; Y64-C141 WeakPolarHBondContact O-CB 3.42Å; Y64-I242 HydrophobicContact CE1-CG2 4.47Å; Y64-L244 WeakPolarHBondContact CE1-O 3.36Å; Y64-L244 WeakPolarHBondContact OH-CB 3.2Å; Y64-L244 WeakPolarHBondContact OH-CD2 3.12Å; Y64-L244 PolarHBondContact OH-O 2.83Å; Y64-F245 AromaticContact CE2-CD2 3.94Å; Y64-F245 HydrophobicContact CE2-CD2 3.94Å; Y64-F245 AromaticContact CZ-CD2 3.8Å; Y64-F245 WeakPolarHBondContact OH-CB 3.47Å; Y64-F245 WeakPolarHBondContact OH-CD2 3.48Å; Y64-F245 PolarHBondContact OH-N 3.46Å
65G64.7Low73.9Confident7 Ų744 Ų447%0.07225%0.25CS..  trans70.513.7160.400000117.4K139G65-K139 CarbonylContact C-O 3.51Å; G65-K139 WeakPolarHBondContact CA-O 3.42Å
66R62.6Low72.7Confident20 Ų2047.8 Ų47.88%0.07527%0.266CS..SBendtrans-163.5124.8-150.7178.7174.4-16677.658.4113Y64 D68 L69 D70 D136 Y250 R286Y64-R66 VanDerWaalsContact C-N 3.32Å; Y64-R66 WeakPolarHBondContact O-CB 3.2Å; Y64-R66 PolarHBondContact O-N 2.81Å; R66-D68 WeakPolarHBondContact CD-OD1 3.44Å; R66-D68 WeakPolarHBondContact CG-OD1 3.14Å; R66-D68 IonicContact CZ-OD1 2.71Å; R66-D68 IonicContact NE-OD1 3.86Å; R66-D68 PolarHBondContact NE-OD1 2.81Å; R66-D68 IonicContact NE-OD2 3.81Å; R66-D68 IonicContact NH2-OD1 2.79Å; R66-D68 PolarHBondContact NH2-OD1 2.91Å; R66-D68 IonicContact NH2-OD2 3.62Å; R66-D68 PolarHBondContact O-N 2.98Å; R66-L69 HydrophobicContact CB-CB 4.23Å; R66-L69 HydrophobicContact CB-CD1 4.35Å; R66-L69 HydrophobicContact CG-CB 4.4Å; R66-L69 HydrophobicContact CG-CD1 4.44Å; R66-L69 HydrophobicContact CG-CG 4.34Å; R66-L69 CarbonylContact O-C 3.6Å; R66-L69 WeakPolarHBondContact O-CA 3.35Å; R66-L69 PolarHBondContact O-N 2.71Å; R66-D70 VanDerWaalsContact C-OD2 3.28Å; R66-D70 PolarHBondContact N-OD2 3.11Å; R66-D70 WeakPolarHBondContact O-CB 3.23Å; R66-D70 VanDerWaalsContact O-CG 3.23Å; R66-D70 PolarHBondContact O-N 2.85Å; R66-D136 IonicContact CZ-OD1 2.68Å; R66-D136 IonicContact CZ-OD2 3.54Å; R66-D136 VanDerWaalsContact CZ-OD2 3.29Å; R66-D136 IonicContact NH1-OD1 3.47Å; R66-D136 IonicContact NH1-OD2 2.8Å; R66-D136 PolarHBondContact NH1-OD2 2.74Å; R66-D136 VanDerWaalsContact NH2-CG 3.28Å; R66-D136 IonicContact NH2-OD1 3.1Å; R66-D136 PolarHBondContact NH2-OD1 3.18Å; R66-D136 IonicContact NH2-OD2 2.73Å; R66-D136 PolarHBondContact NH2-OD2 3.49Å; R66-D136 VanDerWaalsContact NH2-OD2 3.16Å; R66-Y250 PolarHBondContact NE-OH 3.46Å; R66-R286 VanDerWaalsContact NE-NH2 3.19Å; R66-R286 VanDerWaalsContact NH2-NH1 3.15Å
67E55.8Low72.1Confident150 Ų15052 Ų5270%0.70128%0.282SS*.THydrogen-bonded Turntrans-65.7-29-176.4-68.7-173.9-123.800114.9L69E67-L69 PolarHBondContact O-N 3.03Å
68D56.2Low71.6Confident90 Ų9054 Ų5448%0.48129%0.29SS..THydrogen-bonded Turntrans-86.226.2167.961.6-32000114R66 R286R66-D68 WeakPolarHBondContact CD-OD1 3.44Å; R66-D68 WeakPolarHBondContact CG-OD1 3.14Å; R66-D68 IonicContact CZ-OD1 2.71Å; R66-D68 IonicContact NE-OD1 3.86Å; R66-D68 PolarHBondContact NE-OD1 2.81Å; R66-D68 IonicContact NE-OD2 3.81Å; R66-D68 IonicContact NH2-OD1 2.79Å; R66-D68 PolarHBondContact NH2-OD1 2.91Å; R66-D68 IonicContact NH2-OD2 3.62Å; R66-D68 PolarHBondContact O-N 2.98Å; D68-R286 IonicContact OD1-NH2 2.67Å; D68-R286 IonicContact OD2-CZ 3.39Å; D68-R286 IonicContact OD2-NH1 3.09Å; D68-R286 PolarHBondContact OD2-NH1 3.05Å; D68-R286 IonicContact OD2-NH2 2.83Å; D68-R286 PolarHBondContact OD2-NH2 2.93Å
69L56.5Low71.2Confident13 Ų1357.4 Ų57.47%0.06831%0.308CS..THydrogen-bonded Turntrans-141.2-24.1162.7-72176.1000113.4Y64 R66 E67 I242 A248Y64-L69 HydrophobicContact CD1-CB 4.06Å; Y64-L69 HydrophobicContact CD1-CD1 4.43Å; R66-L69 HydrophobicContact CB-CB 4.23Å; R66-L69 HydrophobicContact CB-CD1 4.35Å; R66-L69 HydrophobicContact CG-CB 4.4Å; R66-L69 HydrophobicContact CG-CD1 4.44Å; R66-L69 HydrophobicContact CG-CG 4.34Å; R66-L69 CarbonylContact O-C 3.6Å; R66-L69 WeakPolarHBondContact O-CA 3.35Å; R66-L69 PolarHBondContact O-N 2.71Å; E67-L69 PolarHBondContact O-N 3.03Å; L69-I242 HydrophobicContact CD1-CD1 3.58Å; L69-I242 HydrophobicContact CD2-CD1 4.21Å; L69-A248 HydrophobicContact CD2-CB 3.82Å
70D57Low70.9Confident19 Ų1958.7 Ų58.710%0.10231%0.314CS..  trans-77.8120.5-178.3-74-35.8000110.7Y64 R66 L72 L74 F76Y64-D70 VanDerWaalsContact CB-OD1 3.31Å; Y64-D70 WeakPolarHBondContact CB-OD1 3.36Å; R66-D70 VanDerWaalsContact C-OD2 3.28Å; R66-D70 PolarHBondContact N-OD2 3.11Å; R66-D70 WeakPolarHBondContact O-CB 3.23Å; R66-D70 VanDerWaalsContact O-CG 3.23Å; R66-D70 PolarHBondContact O-N 2.85Å; D70-L72 PolarHBondContact O-N 2.82Å; D70-L74 WeakPolarHBondContact CB-O 3.5Å; D70-F76 PolarHBondContact OD1-N 3.14Å
71V51.2Low70.9Confident118 Ų11861.5 Ų61.572%0.71533%0.325SS*.THydrogen-bonded Turntrans-74.3111.1168.6-178.30000106.7
72L56.6Low71Confident158 Ų15865.8 Ų65.883%0.82735%0.347SS*.THydrogen-bonded Turntrans87.516.1178.3-50.4162000117.7D70 L74D70-L72 PolarHBondContact O-N 2.82Å; L72-L74 PolarHBondContact O-N 3.16Å
73G53.2Low71.3Confident48 Ų4867.3 Ų67.350%0.49536%0.358SS..SBendtrans67.420.1175.100000114.4
74L52.7Low71.7Confident127 Ų12767.8 Ų67.867%0.66537%0.365SS*.SBendtrans-110.7129.8173-66.8173000108.4D70 L72 F76D70-L74 WeakPolarHBondContact CB-O 3.5Å; L72-L74 PolarHBondContact O-N 3.16Å; L74-F76 PolarHBondContact O-N 2.69Å
75S62.5Low72.7Confident97 Ų9768.7 Ų68.768%0.67837%0.369SS*.  trans-55109.5175.164.60000109.9
76F72.2Confident74.2Confident88 Ų8869.4 Ų69.439%0.38637%0.37SS..  trans-84.7132.5-177.8-167.9-83.4000110.7R63 Y64 D70 L74 K78 F245R63-F76 WeakPolarHBondContact CA-O 3.39Å; Y64-F76 HydrophobicContact CD2-CB 3.78Å; Y64-F76 AromaticContact CD2-CD1 3.57Å; Y64-F76 HydrophobicContact CD2-CD1 3.57Å; Y64-F76 HydrophobicContact CD2-CG 4.09Å; Y64-F76 AromaticContact CE2-CD1 3.53Å; Y64-F76 HydrophobicContact CE2-CD1 3.53Å; Y64-F76 HydrophobicContact CE2-CE1 4.21Å; Y64-F76 HydrophobicContact CE2-CG 4.38Å; Y64-F76 HydrophobicContact CG-CB 4.36Å; Y64-F76 PolarHBondContact N-O 3.15Å; D70-F76 PolarHBondContact OD1-N 3.14Å; L74-F76 PolarHBondContact O-N 2.69Å; F76-K78 HydrophobicContact CE1-CB 3.81Å; F76-K78 HydrophobicContact CE1-CG 4.29Å; F76-F245 HydrophobicContact CD1-CD2 4.39Å; F76-F245 HydrophobicContact CD1-CE2 4.31Å; F76-F245 AromaticContact CE1-CD2 3.88Å; F76-F245 HydrophobicContact CE1-CD2 3.88Å; F76-F245 AromaticContact CE1-CE2 3.39Å; F76-F245 HydrophobicContact CE1-CE2 3.39Å; F76-F245 HydrophobicContact CE1-CZ 4.33Å; F76-F245 HydrophobicContact CZ-CD2 4.32Å; F76-F245 AromaticContact CZ-CE2 3.67Å; F76-F245 HydrophobicContact CZ-CE2 3.67Å; F76-F245 HydrophobicContact CZ-CZ 4.2Å
77R83.2Confident75.7Confident89 Ų8968.7 Ų68.734%0.33637%0.368SS..EExtended strand (participates in β ladder)trans-121.9118.9171.9175.9-171.4168.615011.2108.5A61 F62 D79 E146A61-R77 HydrophobicContact CB-CG 4.21Å; F62-R77 CarbonylContact O-C 3.55Å; F62-R77 WeakPolarHBondContact O-CA 3.31Å; R77-D79 IonicContact CZ-OD1 3.22Å; R77-D79 VanDerWaalsContact CZ-OD1 3.32Å; R77-D79 IonicContact NE-OD1 3.42Å; R77-D79 PolarHBondContact NE-OD1 3.37Å; R77-D79 IonicContact NH2-OD1 3.57Å; R77-D79 PolarHBondContact NH2-OD1 2.69Å; R77-E146 IonicContact CZ-OE1 2.61Å; R77-E146 VanDerWaalsContact CZ-OE1 3.27Å; R77-E146 IonicContact NH1-OE1 3.32Å; R77-E146 PolarHBondContact NH1-OE1 2.77Å; R77-E146 IonicContact NH2-OE1 2.79Å; R77-E146 PolarHBondContact NH2-OE1 2.89Å
78K86.6Confident77.5Confident58 Ų5864.4 Ų64.425%0.25235%0.347SS..EExtended strand (participates in β ladder)trans-100.4122.1167.3-153.8-175.7-172164.90108.8A61 F62 F76 L80 L244 F245A61-K78 CarbonylContact C-O 3.5Å; A61-K78 VanDerWaalsContact CA-O 3.24Å; A61-K78 WeakPolarHBondContact CA-O 3.33Å; F62-K78 HydrophobicContact CB-CB 4.44Å; F62-K78 PolarHBondContact N-O 2.86Å; F62-K78 PolarHBondContact O-N 2.79Å; F76-K78 HydrophobicContact CE1-CB 3.81Å; F76-K78 HydrophobicContact CE1-CG 4.29Å; K78-L80 HydrophobicContact CB-CD2 4.26Å; K78-L80 HydrophobicContact CD-CD2 3.83Å; K78-L80 HydrophobicContact CG-CD2 4.25Å; K78-L80 PolarHBondContact O-N 3.29Å; K78-L244 HydrophobicContact CD-CD2 3.39Å; K78-F245 HydrophobicContact CB-CE2 4.24Å; K78-F245 HydrophobicContact CD-CD2 4.35Å; K78-F245 HydrophobicContact CD-CE2 3.39Å; K78-F245 HydrophobicContact CD-CZ 3.72Å; K78-F245 VanDerWaalsContact CE-CZ 3.42Å; K78-F245 HydrophobicContact CG-CE2 3.88Å; K78-F245 HydrophobicContact CG-CZ 4.32Å; K78-F245 VanDerWaalsContact NZ-CZ 3.31Å
79D89.8Confident79.3Confident72 Ų7262.8 Ų62.839%0.38534%0.342SS..EExtended strand (participates in β ladder)trans-78.2114.7164.9-65.8-30.4000107.9T59 A61 R77 I82T59-D79 HydrophobicContact CG2-CB 4.39Å; T59-D79 WeakPolarHBondContact CG2-OD1 3.24Å; A61-D79 WeakPolarHBondContact CB-OD1 3.42Å; R77-D79 IonicContact CZ-OD1 3.22Å; R77-D79 VanDerWaalsContact CZ-OD1 3.32Å; R77-D79 IonicContact NE-OD1 3.42Å; R77-D79 PolarHBondContact NE-OD1 3.37Å; R77-D79 IonicContact NH2-OD1 3.57Å; R77-D79 PolarHBondContact NH2-OD1 2.69Å; D79-I82 HydrophobicContact CB-CD1 3.86Å; D79-I82 HydrophobicContact CB-CG1 4Å
80L90.6Very high80.9Confident37 Ų3765.2 Ų65.219%0.19436%0.358CS..EExtended strand (participates in β ladder)trans-81.6-29.7178.5-55.7-177000111.2C60 F62 K78 P125 L244C60-L80 HydrophobicContact CB-CB 4.43Å; C60-L80 PolarHBondContact O-N 2.68Å; F62-L80 HydrophobicContact CB-CD1 4.22Å; F62-L80 HydrophobicContact CB-CD2 4.29Å; F62-L80 HydrophobicContact CB-CG 4.3Å; K78-L80 HydrophobicContact CB-CD2 4.26Å; K78-L80 HydrophobicContact CD-CD2 3.83Å; K78-L80 HydrophobicContact CG-CD2 4.25Å; K78-L80 PolarHBondContact O-N 3.29Å; L80-P125 HydrophobicContact CD1-CG 3.63Å; L80-L244 HydrophobicContact CD1-CD1 4.35Å; L80-L244 HydrophobicContact CD2-CD1 3.78Å; L80-L244 HydrophobicContact CD2-CD2 4.42Å
81Y93.7Very high82.5Confident59 Ų5967 Ų6723%0.23137%0.367CS..EExtended strand (participates in β ladder)trans-157.1141.6178.9176.1-99.9000110.5T59 C60 S83 P121 L124T59-Y81 CarbonylContact C-O 3.59Å; T59-Y81 WeakPolarHBondContact CA-O 3.45Å; C60-Y81 PolarHBondContact N-O 2.94Å; C60-Y81 PolarHBondContact O-N 3.26Å; Y81-S83 VanDerWaalsContact OH-CB 3.3Å; Y81-S83 WeakPolarHBondContact OH-CB 3.36Å; Y81-P121 HydrophobicContact CD2-CG 3.94Å; Y81-P121 HydrophobicContact CE2-CG 3.51Å; Y81-L124 HydrophobicContact CD1-CD1 3.91Å; Y81-L124 HydrophobicContact CD2-CD1 4.33Å; Y81-L124 HydrophobicContact CG-CD1 3.7Å
82I95Very high84.1Confident92 Ų9265.1 Ų65.147%0.47236%0.364SS..EExtended strand (participates in β ladder)trans-137.3131.2170.7-56.3177.3000107.6L58 T59 D79L58-I82 WeakPolarHBondContact O-CA 3.29Å; T59-I82 HydrophobicContact CG2-CG1 4.02Å; D79-I82 HydrophobicContact CB-CD1 3.86Å; D79-I82 HydrophobicContact CB-CG1 4Å
83S95.8Very high85.2Confident33 Ų3366.5 Ų66.523%0.23137%0.367CS..EExtended strand (participates in β ladder)trans-129.7141.3167.7-179.20000109.7T57 L58 Y81 F118T57-S83 CarbonylContact C-O 3.56Å; T57-S83 VanDerWaalsContact CA-O 3.23Å; T57-S83 WeakPolarHBondContact CA-O 3.49Å; L58-S83 PolarHBondContact N-O 3.32Å; L58-S83 PolarHBondContact O-N 3.27Å; Y81-S83 VanDerWaalsContact OH-CB 3.3Å; Y81-S83 WeakPolarHBondContact OH-CB 3.36Å; S83-F118 WeakPolarHBondContact O-CE1 3.47Å
84T95.7Very high86.3Confident46 Ų4667 Ų6728%0.28236%0.356SS..EExtended strand (participates in β ladder)trans-122.5139.5-179.9-51.80000109.9F55 V56 T57 I155F55-T84 HydrophobicContact CB-CG2 4.34Å; F55-T84 HydrophobicContact CD1-CG2 4.22Å; V56-T84 CarbonylContact O-C 3.5Å; V56-T84 WeakPolarHBondContact O-CA 3.45Å; T57-T84 HydrophobicContact CG2-CG2 3.89Å; T84-I155 HydrophobicContact CG2-CD1 3.48Å; T84-I155 VanDerWaalsContact CG2-CD1 3.48Å; T84-I155 HydrophobicContact CG2-CG1 4.18Å
85F95.1Very high87.4Confident22 Ų2269.3 Ų69.310%0.09636%0.356CS..EExtended strand (participates in β ladder)trans-127.3133.6178.2-175.9-89.1000109.4F55 V56 A87 E94 P115 F116 Y117 F118F55-F85 WeakPolarHBondContact CA-O 3.18Å; V56-F85 PolarHBondContact N-O 3.41Å; V56-F85 PolarHBondContact O-N 3.38Å; F85-A87 HydrophobicContact CD1-CB 4.31Å; F85-A87 HydrophobicContact CE1-CB 4.35Å; F85-A87 PolarHBondContact O-N 2.79Å; F85-E94 HydrophobicContact CE2-CB 3.93Å; F85-P115 WeakPolarHBondContact CE1-O 3.14Å; F85-F116 HydrophobicContact CD1-CB 3.52Å; F85-F116 HydrophobicContact CE1-CB 3.72Å; F85-F116 HydrophobicContact CG-CB 4.25Å; F85-Y117 HydrophobicContact CD2-CE1 4.4Å; F85-Y117 AromaticContact CE2-CD1 3.97Å; F85-Y117 HydrophobicContact CE2-CD1 3.97Å; F85-Y117 AromaticContact CE2-CE1 3.58Å; F85-Y117 HydrophobicContact CE2-CE1 3.58Å; F85-Y117 HydrophobicContact CZ-CD1 4.41Å; F85-Y117 HydrophobicContact CZ-CE1 4.26Å; F85-F118 HydrophobicContact CB-CE1 3.86Å; F85-F118 HydrophobicContact CB-CZ 3.71Å
86Q95.6Very high88.3Confident22 Ų2270.3 Ų70.310%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-93.396.7176-169.3-178.2-79.100110.1V54 F55 P89 I91 E94V54-Q86 CarbonylContact O-C 3.58Å; F55-Q86 HydrophobicContact CD1-CB 4.05Å; F55-Q86 HydrophobicContact CD1-CG 4.02Å; F55-Q86 HydrophobicContact CE1-CB 4.02Å; F55-Q86 HydrophobicContact CE1-CG 3.73Å; F55-Q86 HydrophobicContact CZ-CG 4.48Å; Q86-P89 PolarHBondContact NE2-O 2.78Å; Q86-I91 HydrophobicContact CB-CD1 3.75Å; Q86-I91 HydrophobicContact CB-CG1 4.22Å; Q86-I91 HydrophobicContact CG-CD1 4.34Å; Q86-E94 PolarHBondContact N-OE2 3.01Å
87A94.6Very high89.1Confident4 Ų471 Ų713%0.03337%0.369CS..EExtended strand (participates in β ladder)trans-69.1-33.5179.700000113I42 V54 V56 F85 H114I42-A87 HydrophobicContact CD1-CB 4.24Å; V54-A87 HydrophobicContact CG1-CB 4.35Å; V54-A87 PolarHBondContact O-N 3.36Å; V56-A87 HydrophobicContact CG2-CB 4.06Å; F85-A87 HydrophobicContact CD1-CB 4.31Å; F85-A87 HydrophobicContact CE1-CB 4.35Å; F85-A87 PolarHBondContact O-N 2.79Å; A87-H114 HydrophobicContact CB-CB 4.34Å
88F94.5Very high89.6Confident60 Ų6069.5 Ų69.526%0.26337%0.368SS..EExtended strand (participates in β ladder)trans-146138.3175.6-174.6-84.4000112.3L49 K53 V54 H114L49-F88 HydrophobicContact CD1-CD1 4.27Å; L49-F88 HydrophobicContact CD2-CD1 3.25Å; L49-F88 HydrophobicContact CD2-CD2 4.31Å; L49-F88 HydrophobicContact CD2-CE1 3.19Å; L49-F88 HydrophobicContact CD2-CE2 4.26Å; L49-F88 HydrophobicContact CD2-CG 3.82Å; L49-F88 HydrophobicContact CD2-CZ 3.72Å; L49-F88 HydrophobicContact CG-CD1 4.03Å; L49-F88 HydrophobicContact CG-CE1 3.94Å; K53-F88 CarbonylContact C-O 3.57Å; K53-F88 VanDerWaalsContact CA-O 3.23Å; K53-F88 WeakPolarHBondContact CA-O 3.47Å; K53-F88 VanDerWaalsContact CB-O 3.31Å; K53-F88 WeakPolarHBondContact CB-O 3.15Å; V54-F88 HydrophobicContact CB-CB 4Å; V54-F88 HydrophobicContact CG2-CB 4.12Å; V54-F88 PolarHBondContact N-O 3.18Å; V54-F88 PolarHBondContact O-N 2.86Å; F88-H114 AromaticContact CD2-CE1 3.52Å; F88-H114 AromaticContact CD2-NE2 3.42Å; F88-H114 WeakPolarHBondContact CD2-NE2 3.19Å
89P93.3Very high89.9Confident56 Ų5668.4 Ų68.436%0.36437%0.368SS..THydrogen-bonded Turncis-65.6148-14.329-33.7000110.1Q86 I91Q86-P89 PolarHBondContact NE2-O 2.78Å; P89-I91 PolarHBondContact O-N 2.85Å
90P90.4Very high90.1Very high64 Ų6471.6 Ų71.642%0.41638%0.375SS..THydrogen-bonded Turntrans-66.6130.9-175.426-34.3000111.6
91I90.6Very high90.3Very high57 Ų5771.1 Ų71.129%0.29237%0.372SS..PPolyproline II helixtrans-86.3130.3175.4-57.5176.8000109Q86 P89 E93 E94Q86-I91 HydrophobicContact CB-CD1 3.75Å; Q86-I91 HydrophobicContact CB-CG1 4.22Å; Q86-I91 HydrophobicContact CG-CD1 4.34Å; P89-I91 PolarHBondContact O-N 2.85Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 HydrophobicContact CG2-CB 4.41Å; I91-E93 PolarHBondContact O-N 2.97Å; I91-E94 HydrophobicContact CB-CB 4.39Å; I91-E94 HydrophobicContact CB-CG 4.22Å; I91-E94 HydrophobicContact CG2-CG 4.35Å; I91-E94 PolarHBondContact O-N 2.86Å
92A83.7Confident90.4Very high79 Ų7968.7 Ų68.765%0.65336%0.363SS*.G310 helixtrans-60.5-40.5-174.800000113.1E94 R95A92-E94 VanDerWaalsContact C-N 3.28Å; A92-E94 PolarHBondContact O-N 2.86Å; A92-R95 PolarHBondContact O-N 3Å
93E79.9Confident90.4Very high187 Ų18769.5 Ų69.587%0.87437%0.365SS*.G310 helixtrans-68-24.9-178.9-64.1174.2-176.400113.3I91I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 HydrophobicContact CG2-CB 4.41Å; I91-E93 PolarHBondContact O-N 2.97Å
94E77.5Confident90.3Very high57 Ų5769.7 Ų69.727%0.26636%0.36SS..G310 helixtrans-87.7-7.8-179.5-66-174.5178.600112.7F85 Q86 I91 A92 K96 Y117F85-E94 HydrophobicContact CE2-CB 3.93Å; Q86-E94 PolarHBondContact N-OE2 3.01Å; I91-E94 HydrophobicContact CB-CB 4.39Å; I91-E94 HydrophobicContact CB-CG 4.22Å; I91-E94 HydrophobicContact CG2-CG 4.35Å; I91-E94 PolarHBondContact O-N 2.86Å; A92-E94 VanDerWaalsContact C-N 3.28Å; A92-E94 PolarHBondContact O-N 2.86Å; E94-K96 PolarHBondContact O-N 2.82Å; E94-Y117 WeakPolarHBondContact O-CE1 3Å; E94-Y117 PolarHBondContact O-OH 2.82Å
95R75.2Confident90.3Very high177 Ų17767.5 Ų67.567%0.66835%0.347SS*.  trans-68.8120-176.5-70.5-172.8179.9-177.30.8111.2A92A92-R95 PolarHBondContact O-N 3Å
96K81.7Confident90.4Very high118 Ų11868.1 Ų68.151%0.51335%0.351SS..  trans-109.5163.6165.3-72.4-171.4-176.2173.80110.3E94 N98 Y117E94-K96 PolarHBondContact O-N 2.82Å; K96-N98 PolarHBondContact O-N 2.78Å; K96-Y117 HydrophobicContact CB-CD1 4.27Å; K96-Y117 HydrophobicContact CB-CE1 3.83Å; K96-Y117 HydrophobicContact CD-CD1 4.35Å; K96-Y117 HydrophobicContact CD-CD2 4.02Å; K96-Y117 HydrophobicContact CD-CE1 3.8Å; K96-Y117 HydrophobicContact CD-CE2 3.46Å; K96-Y117 VanDerWaalsContact CD-CE2 3.46Å; K96-Y117 HydrophobicContact CD-CG 4.45Å; K96-Y117 VanDerWaalsContact CE-CZ 3.43Å; K96-Y117 VanDerWaalsContact CE-OH 3.24Å; K96-Y117 WeakPolarHBondContact CE-OH 3.24Å; K96-Y117 HydrophobicContact CG-CD1 4.48Å; K96-Y117 HydrophobicContact CG-CE1 3.7Å; K96-Y117 HydrophobicContact CG-CE2 4.23Å; K96-Y117 VanDerWaalsContact NZ-CE2 3.29Å
97A89.7Confident90.4Very high101 Ų10174.3 Ų74.384%0.83538%0.378SS*.PPolyproline II helixtrans-57.3132.2167.800000109.4
98N92.6Very high90.4Very high58 Ų5878.4 Ų78.431%0.3140%0.395SS..PPolyproline II helixtrans-67.5146.6178.9-71-31000110K96 Q102 E103 L106K96-N98 PolarHBondContact O-N 2.78Å; N98-Q102 HydrophobicContact CB-CB 4Å; N98-E103 HydrophobicContact CB-CG 3.72Å; N98-L106 WeakPolarHBondContact ND2-CD1 3.12Å
99S93.6Very high90.4Very high35 Ų3577.2 Ų77.225%0.24539%0.391CS..PPolyproline II helixtrans-69.4158167.9780000110.6D39 L101 Q102 E103D39-S99 WeakPolarHBondContact OD2-CB 3.42Å; D39-S99 PolarHBondContact OD2-OG 3.2Å; S99-L101 PolarHBondContact O-N 3.04Å; S99-L101 VanDerWaalsContact O-N 3.1Å; S99-L101 PolarHBondContact OG-N 2.89Å; S99-Q102 WeakPolarHBondContact O-CB 3.48Å; S99-Q102 PolarHBondContact O-N 2.82Å; S99-Q102 WeakPolarHBondContact OG-CG 3.3Å; S99-Q102 PolarHBondContact OG-N 2.75Å; S99-Q102 VanDerWaalsContact OG-N 3.12Å; S99-E103 WeakPolarHBondContact O-CG 3.15Å; S99-E103 PolarHBondContact O-N 2.88Å
100R93.3Very high90.5Very high139 Ų13976.2 Ų76.253%0.52539%0.391SS..Hα-helixtrans-53.5-33.1172.9-175.3179.4178-169-0.9111.9R104 D391R100-R104 WeakPolarHBondContact O-CB 3.32Å; R100-R104 WeakPolarHBondContact O-CD 3.17Å; R100-R104 VanDerWaalsContact O-CG 3.26Å; R100-R104 WeakPolarHBondContact O-CG 3.32Å; R100-R104 PolarHBondContact O-N 3.29Å; R100-D391 IonicContact NH2-OD1 2.75Å; R100-D391 PolarHBondContact NH2-OD1 3.11Å
101L93.8Very high90.6Very high28 Ų2881.8 Ų81.815%0.14741%0.411CS..Hα-helixtrans-67-49.4175.1173.464.2000111.2V9 S99 R104 L105 F394V9-L101 HydrophobicContact CG2-CD1 3.91Å; S99-L101 PolarHBondContact O-N 3.04Å; S99-L101 VanDerWaalsContact O-N 3.1Å; S99-L101 PolarHBondContact OG-N 2.89Å; L101-R104 PolarHBondContact O-N 2.99Å; L101-L105 HydrophobicContact CD1-CD1 3.87Å; L101-L105 HydrophobicContact CD1-CG 4.07Å; L101-L105 HydrophobicContact CG-CD1 3.91Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 2.81Å; L101-F394 HydrophobicContact CD1-CE1 3.63Å; L101-F394 HydrophobicContact CD1-CZ 4.1Å
102Q96Very high90.8Very high7 Ų782.3 Ų82.33%0.03341%0.413CS..Hα-helixtrans-60.5-45.6178.6-72.7174.5-39.800111.4G40 V41 N98 S99 R104 L105 L106 P115 F116G40-Q102 PolarHBondContact O-NE2 3.24Å; V41-Q102 HydrophobicContact CG2-CB 4.25Å; V41-Q102 HydrophobicContact CG2-CG 4.04Å; N98-Q102 HydrophobicContact CB-CB 4Å; S99-Q102 WeakPolarHBondContact O-CB 3.48Å; S99-Q102 PolarHBondContact O-N 2.82Å; S99-Q102 WeakPolarHBondContact OG-CG 3.3Å; S99-Q102 PolarHBondContact OG-N 2.75Å; S99-Q102 VanDerWaalsContact OG-N 3.12Å; Q102-R104 PolarHBondContact O-N 3.32Å; Q102-L105 PolarHBondContact O-N 2.83Å; Q102-L106 WeakPolarHBondContact O-CB 3.48Å; Q102-L106 WeakPolarHBondContact O-CG 3.19Å; Q102-L106 PolarHBondContact O-N 3.04Å; Q102-P115 HydrophobicContact CG-CB 4.43Å; Q102-F116 PolarHBondContact NE2-O 3.45Å
103E95.3Very high91.4Very high110 Ų11079 Ų7951%0.51439%0.385SS..Hα-helixtrans-56.4-49.5177.9-68.6174.6166.400112.1N98 S99 L106 K107N98-E103 HydrophobicContact CB-CG 3.72Å; S99-E103 WeakPolarHBondContact O-CG 3.15Å; S99-E103 PolarHBondContact O-N 2.88Å; E103-L106 PolarHBondContact O-N 3.46Å; E103-K107 WeakPolarHBondContact O-CB 3.27Å; E103-K107 PolarHBondContact O-N 2.72Å
104R94.9Very high92.2Very high37 Ų3771.1 Ų71.114%0.1435%0.348CS..Hα-helixtrans-63.5-41.5177.4-71171.867.2-153.80.3111.8T7 R100 L101 Q102 K107 K108 D391 F394T7-R104 PolarHBondContact OG1-NH1 3.4Å; T7-R104 PolarHBondContact OG1-NH2 3.32Å; R100-R104 WeakPolarHBondContact O-CB 3.32Å; R100-R104 WeakPolarHBondContact O-CD 3.17Å; R100-R104 VanDerWaalsContact O-CG 3.26Å; R100-R104 WeakPolarHBondContact O-CG 3.32Å; R100-R104 PolarHBondContact O-N 3.29Å; L101-R104 PolarHBondContact O-N 2.99Å; Q102-R104 PolarHBondContact O-N 3.32Å; R104-K107 PolarHBondContact O-N 2.71Å; R104-K108 WeakPolarHBondContact O-CB 3.44Å; R104-K108 PolarHBondContact O-N 3.22Å; R104-D391 PolarHBondContact NE-O 2.83Å; R104-D391 PolarHBondContact NH2-O 2.64Å; R104-F394 HydrophobicContact CB-CE2 3.64Å; R104-F394 HydrophobicContact CB-CZ 3.39Å
105L95.8Very high93.1Very high0 Ų070.3 Ų70.30%035%0.347CS..Hα-helixtrans-66.4-42.7177.1-78.6175.7000112.4V9 V41 L101 Q102 K107 K108 L109 F394 F396V9-L105 HydrophobicContact CG1-CD1 4.28Å; V9-L105 HydrophobicContact CG1-CD2 4.16Å; V9-L105 HydrophobicContact CG2-CD2 4.28Å; V41-L105 HydrophobicContact CB-CB 4.34Å; V41-L105 HydrophobicContact CB-CD1 4.28Å; V41-L105 HydrophobicContact CG2-CB 3.78Å; V41-L105 HydrophobicContact CG2-CD1 3.94Å; L101-L105 HydrophobicContact CD1-CD1 3.87Å; L101-L105 HydrophobicContact CD1-CG 4.07Å; L101-L105 HydrophobicContact CG-CD1 3.91Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 2.81Å; Q102-L105 PolarHBondContact O-N 2.83Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 2.82Å; L105-K108 PolarHBondContact O-N 2.79Å; L105-L109 HydrophobicContact CB-CD1 4.37Å; L105-L109 HydrophobicContact CD2-CD1 4.43Å; L105-L109 VanDerWaalsContact O-CB 3.25Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.22Å; L105-L109 WeakPolarHBondContact O-CG 3.11Å; L105-L109 PolarHBondContact O-N 3.03Å; L105-F394 HydrophobicContact CD2-CD1 4.48Å; L105-F394 HydrophobicContact CD2-CD2 4.4Å; L105-F394 HydrophobicContact CD2-CE1 4.18Å; L105-F394 HydrophobicContact CD2-CE2 4.03Å; L105-F394 HydrophobicContact CD2-CZ 3.88Å; L105-F394 HydrophobicContact CG-CE1 4.31Å; L105-F394 HydrophobicContact CG-CE2 4.34Å; L105-F394 HydrophobicContact CG-CZ 3.85Å; L105-F396 HydrophobicContact CD2-CE1 3.82Å; L105-F396 HydrophobicContact CD2-CZ 4.21Å
106L96Very high94.1Very high34 Ų3461.9 Ų61.918%0.17832%0.316CS..Hα-helixtrans-61.8-42.8176.9-69.1169.4000110.7V41 N98 Q102 E103 K108 G110 A113 P115V41-L106 HydrophobicContact CG1-CD2 3.97Å; V41-L106 HydrophobicContact CG2-CD2 4.46Å; V41-L106 HydrophobicContact CG2-CG 4.43Å; N98-L106 WeakPolarHBondContact ND2-CD1 3.12Å; Q102-L106 WeakPolarHBondContact O-CB 3.48Å; Q102-L106 WeakPolarHBondContact O-CG 3.19Å; Q102-L106 PolarHBondContact O-N 3.04Å; E103-L106 PolarHBondContact O-N 3.46Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 2.68Å; L106-G110 PolarHBondContact O-N 2.99Å; L106-A113 HydrophobicContact CD2-CB 3.8Å; L106-A113 WeakPolarHBondContact CD2-O 3.3Å; L106-P115 HydrophobicContact CD1-CB 4.39Å; L106-P115 HydrophobicContact CD1-CG 4.27Å
107K95.3Very high94.8Very high153 Ų15358.8 Ų58.867%0.66530%0.301SS*.Hα-helixtrans-60-42.6173.8-170.3-172.9178.3-161.70112E103 R104 L105 D392E103-K107 WeakPolarHBondContact O-CB 3.27Å; E103-K107 PolarHBondContact O-N 2.72Å; R104-K107 PolarHBondContact O-N 2.71Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 2.82Å; K107-D392 IonicContact NZ-OD2 2.71Å
108K95.3Very high95Very high90 Ų9054.1 Ų54.139%0.39126%0.262SS..Hα-helixtrans-76.7-35.4-178.3-172.8163.6-169.7164.60114.3R104 L105 L106 D392 F394 F396R104-K108 WeakPolarHBondContact O-CB 3.44Å; R104-K108 PolarHBondContact O-N 3.22Å; L105-K108 PolarHBondContact O-N 2.79Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 2.68Å; K108-D392 PolarHBondContact NZ-O 2.79Å; K108-F394 HydrophobicContact CB-CE2 4.48Å; K108-F394 HydrophobicContact CD-CB 4.29Å; K108-F394 HydrophobicContact CD-CD2 3.46Å; K108-F394 VanDerWaalsContact CD-CD2 3.46Å; K108-F394 HydrophobicContact CD-CE2 4.22Å; K108-F394 HydrophobicContact CD-CG 4.32Å; K108-F396 HydrophobicContact CD-CE2 4.13Å; K108-F396 HydrophobicContact CD-CZ 4.05Å
109L95.2Very high95.1Very high34 Ų3455.2 Ų55.218%0.17827%0.271CS..Hα-helixtrans-90.6-18.8-174.3-63.8174.8000113.2Y22 V41 L43 L105 A113 F396Y22-L109 HydrophobicContact CD1-CD1 4.31Å; Y22-L109 HydrophobicContact CD2-CD1 3.75Å; Y22-L109 HydrophobicContact CE1-CD1 4.28Å; Y22-L109 HydrophobicContact CE1-CD2 3.98Å; Y22-L109 HydrophobicContact CE2-CD1 3.75Å; Y22-L109 HydrophobicContact CE2-CD2 4.2Å; Y22-L109 HydrophobicContact CG-CD1 4.05Å; V41-L109 HydrophobicContact CB-CD1 4.49Å; V41-L109 HydrophobicContact CG1-CD1 3.9Å; L43-L109 HydrophobicContact CD1-CB 4.49Å; L105-L109 HydrophobicContact CB-CD1 4.37Å; L105-L109 HydrophobicContact CD2-CD1 4.43Å; L105-L109 VanDerWaalsContact O-CB 3.25Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.22Å; L105-L109 WeakPolarHBondContact O-CG 3.11Å; L105-L109 PolarHBondContact O-N 3.03Å; L109-A113 HydrophobicContact CB-CB 3.64Å; L109-A113 HydrophobicContact CD1-CB 4.31Å; L109-F396 HydrophobicContact CD2-CZ 4.36Å
110G94.3Very high95.2Very high35 Ų3553.7 Ų53.736%0.36126%0.26SS..  trans87.5-168.7175.800000114.4L106 Q112 A113L106-G110 PolarHBondContact O-N 2.99Å; G110-Q112 PolarHBondContact O-N 3.05Å; G110-Q112 VanDerWaalsContact O-N 3.14Å; G110-A113 VanDerWaalsContact O-CB 3.27Å; G110-A113 WeakPolarHBondContact O-CB 3.39Å; G110-A113 PolarHBondContact O-N 3.16Å; G110-A113 VanDerWaalsContact O-N 3.16Å
111Q93.6Very high95.1Very high182 Ų18248.9 Ų48.985%0.8525%0.247SC*.THydrogen-bonded Turntrans-67.1-17.3-167.1-63.9176.51.600115.1A113Q111-A113 VanDerWaalsContact C-N 3.26Å
112Q94.5Very high94.8Very high68 Ų6852.3 Ų52.332%0.31826%0.262SS..THydrogen-bonded Turntrans-89.97.3179.8-53.4-54.8-38.300112.9L43 V44 P46 G110L43-Q112 HydrophobicContact CD1-CB 4.03Å; V44-Q112 PolarHBondContact N-O 3.43Å; V44-Q112 VanDerWaalsContact N-O 3.11Å; V44-Q112 WeakPolarHBondContact O-CB 3.37Å; P46-Q112 HydrophobicContact CG-CG 4.15Å; G110-Q112 PolarHBondContact O-N 3.05Å; G110-Q112 VanDerWaalsContact O-N 3.14Å
113A96.7Very high94.4Very high8 Ų856.8 Ų56.87%0.06629%0.286CS..EExtended strand (participates in β ladder)trans-96.5130.9177.700000110V41 I42 L43 L106 L109 G110 Q111V41-A113 HydrophobicContact CG1-CB 3.71Å; I42-A113 CarbonylContact O-C 3.57Å; I42-A113 WeakPolarHBondContact O-CA 3.28Å; L43-A113 HydrophobicContact CD1-CB 4.44Å; L106-A113 HydrophobicContact CD2-CB 3.8Å; L106-A113 WeakPolarHBondContact CD2-O 3.3Å; L109-A113 HydrophobicContact CB-CB 3.64Å; L109-A113 HydrophobicContact CD1-CB 4.31Å; G110-A113 VanDerWaalsContact O-CB 3.27Å; G110-A113 WeakPolarHBondContact O-CB 3.39Å; G110-A113 PolarHBondContact O-N 3.16Å; G110-A113 VanDerWaalsContact O-N 3.16Å; Q111-A113 VanDerWaalsContact C-N 3.26Å
114H96Very high94.2Very high23 Ų2351.9 Ų51.911%0.10626%0.264CS..EExtended strand (participates in β ladder)trans-126.9126.7-175.9-57.1-62.3000110.3V41 I42 A87 F88V41-H114 CarbonylContact C-O 3.53Å; V41-H114 WeakPolarHBondContact CA-O 3.24Å; I42-H114 PolarHBondContact N-O 2.75Å; I42-H114 PolarHBondContact O-N 2.7Å; A87-H114 HydrophobicContact CB-CB 4.34Å; F88-H114 AromaticContact CD2-CE1 3.52Å; F88-H114 AromaticContact CD2-NE2 3.42Å; F88-H114 WeakPolarHBondContact CD2-NE2 3.19Å
115P96.6Very high94Very high39 Ų3950.6 Ų50.625%0.25326%0.26SS..EExtended strand (participates in β ladder)trans-74.4152.2179.232.3-33.5000110.9G40 F85 Q102 L106G40-P115 WeakPolarHBondContact O-CA 3.35Å; F85-P115 WeakPolarHBondContact CE1-O 3.14Å; Q102-P115 HydrophobicContact CG-CB 4.43Å; L106-P115 HydrophobicContact CD1-CB 4.39Å; L106-P115 HydrophobicContact CD1-CG 4.27Å
116F96.3Very high93.9Very high0 Ų051.4 Ų51.40%027%0.265CS..EExtended strand (participates in β ladder)trans-140.7155.8166.469-86.3000109.9V21 L23 V38 G40 I42 V56 F85 Q102 F118V21-F116 HydrophobicContact CG1-CE1 4.1Å; V21-F116 HydrophobicContact CG1-CZ 3.96Å; L23-F116 HydrophobicContact CD2-CE2 4.29Å; L23-F116 HydrophobicContact CD2-CZ 3.79Å; V38-F116 HydrophobicContact CG1-CE2 4.43Å; G40-F116 PolarHBondContact N-O 3.02Å; G40-F116 VanDerWaalsContact N-O 3.07Å; G40-F116 WeakPolarHBondContact O-CD1 3.34Å; G40-F116 PolarHBondContact O-N 2.92Å; I42-F116 HydrophobicContact CD1-CD1 3.87Å; I42-F116 HydrophobicContact CD1-CE1 4.11Å; I42-F116 HydrophobicContact CG1-CD1 3.64Å; I42-F116 HydrophobicContact CG1-CE1 3.66Å; V56-F116 HydrophobicContact CB-CD2 4.44Å; V56-F116 HydrophobicContact CB-CG 4.47Å; V56-F116 HydrophobicContact CG1-CD2 3.97Å; V56-F116 HydrophobicContact CG1-CE2 4.06Å; V56-F116 HydrophobicContact CG1-CG 4.32Å; V56-F116 HydrophobicContact CG1-CZ 4.47Å; V56-F116 HydrophobicContact CG2-CB 4.01Å; V56-F116 HydrophobicContact CG2-CD1 4.3Å; V56-F116 HydrophobicContact CG2-CD2 4.44Å; V56-F116 HydrophobicContact CG2-CG 4Å; F85-F116 HydrophobicContact CD1-CB 3.52Å; F85-F116 HydrophobicContact CE1-CB 3.72Å; F85-F116 HydrophobicContact CG-CB 4.25Å; Q102-F116 PolarHBondContact NE2-O 3.45Å; F116-F118 HydrophobicContact CD2-CD2 4.1Å; F116-F118 AromaticContact CD2-CE2 3.8Å; F116-F118 HydrophobicContact CD2-CE2 3.8Å; F116-F118 HydrophobicContact CE2-CD2 4.41Å; F116-F118 HydrophobicContact CE2-CE2 4.23Å
117Y95Very high93.8Very high53 Ų5350.2 Ų50.221%0.20826%0.26CS..EExtended strand (participates in β ladder)trans-144155.9173.570.3-88.7000111.8V38 F85 E94 K96V38-Y117 CarbonylContact O-C 3.6Å; V38-Y117 WeakPolarHBondContact O-CA 3.15Å; F85-Y117 HydrophobicContact CD2-CE1 4.4Å; F85-Y117 AromaticContact CE2-CD1 3.97Å; F85-Y117 HydrophobicContact CE2-CD1 3.97Å; F85-Y117 AromaticContact CE2-CE1 3.58Å; F85-Y117 HydrophobicContact CE2-CE1 3.58Å; F85-Y117 HydrophobicContact CZ-CD1 4.41Å; F85-Y117 HydrophobicContact CZ-CE1 4.26Å; E94-Y117 WeakPolarHBondContact O-CE1 3Å; E94-Y117 PolarHBondContact O-OH 2.82Å; K96-Y117 HydrophobicContact CB-CD1 4.27Å; K96-Y117 HydrophobicContact CB-CE1 3.83Å; K96-Y117 HydrophobicContact CD-CD1 4.35Å; K96-Y117 HydrophobicContact CD-CD2 4.02Å; K96-Y117 HydrophobicContact CD-CE1 3.8Å; K96-Y117 HydrophobicContact CD-CE2 3.46Å; K96-Y117 VanDerWaalsContact CD-CE2 3.46Å; K96-Y117 HydrophobicContact CD-CG 4.45Å; K96-Y117 VanDerWaalsContact CE-CZ 3.43Å; K96-Y117 VanDerWaalsContact CE-OH 3.24Å; K96-Y117 WeakPolarHBondContact CE-OH 3.24Å; K96-Y117 HydrophobicContact CG-CD1 4.48Å; K96-Y117 HydrophobicContact CG-CE1 3.7Å; K96-Y117 HydrophobicContact CG-CE2 4.23Å; K96-Y117 VanDerWaalsContact NZ-CE2 3.29Å
118F96Very high93.7Very high4 Ų443.2 Ų43.22%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-136.5146.5166.7-62.7-80.8000111.1P37 V38 V56 L58 S83 F85 F116P37-F118 WeakPolarHBondContact CA-O 3.47Å; V38-F118 HydrophobicContact CB-CB 4.18Å; V38-F118 HydrophobicContact CG1-CD2 4.46Å; V38-F118 PolarHBondContact N-O 3.23Å; V38-F118 PolarHBondContact O-N 2.67Å; V56-F118 HydrophobicContact CB-CE2 4.08Å; V56-F118 HydrophobicContact CB-CZ 3.99Å; V56-F118 HydrophobicContact CG1-CE2 3.77Å; V56-F118 HydrophobicContact CG1-CZ 4.12Å; V56-F118 WeakPolarHBondContact O-CZ 3.39Å; L58-F118 HydrophobicContact CB-CB 4.34Å; L58-F118 HydrophobicContact CB-CD1 3.82Å; L58-F118 HydrophobicContact CB-CD2 3.81Å; L58-F118 HydrophobicContact CB-CE1 4.01Å; L58-F118 HydrophobicContact CB-CE2 4Å; L58-F118 HydrophobicContact CB-CG 3.71Å; L58-F118 HydrophobicContact CB-CZ 4.1Å; L58-F118 HydrophobicContact CD2-CB 3.54Å; L58-F118 HydrophobicContact CD2-CD1 4.42Å; L58-F118 HydrophobicContact CD2-CD2 4.35Å; L58-F118 HydrophobicContact CD2-CG 3.87Å; L58-F118 HydrophobicContact CG-CG 4.45Å; S83-F118 WeakPolarHBondContact O-CE1 3.47Å; F85-F118 HydrophobicContact CB-CE1 3.86Å; F85-F118 HydrophobicContact CB-CZ 3.71Å; F116-F118 HydrophobicContact CD2-CD2 4.1Å; F116-F118 AromaticContact CD2-CE2 3.8Å; F116-F118 HydrophobicContact CD2-CE2 3.8Å; F116-F118 HydrophobicContact CE2-CD2 4.41Å; F116-F118 HydrophobicContact CE2-CE2 4.23Å
119T94.5Very high93.5Very high81 Ų8139.6 Ų39.650%0.49722%0.215SC..  trans-105.7117.5167.2-580000107.8P121T119-P121 WeakPolarHBondContact O-CD 3.49Å
120I94.4Very high93.3Very high3 Ų338.3 Ų38.32%0.01521%0.208CC..  trans-77.8122.8177.5-64.8173.2000108.7F28 V35 V38 L58 L124 F145 K171F28-I120 HydrophobicContact CB-CD1 4.45Å; V35-I120 HydrophobicContact CB-CB 4.09Å; V35-I120 HydrophobicContact CB-CG2 4.45Å; V35-I120 HydrophobicContact CG1-CB 3.84Å; V35-I120 HydrophobicContact CG1-CD1 4.14Å; V35-I120 HydrophobicContact CG1-CG2 4.11Å; V35-I120 HydrophobicContact CG2-CG2 4.42Å; V38-I120 HydrophobicContact CG2-CD1 3.77Å; V38-I120 HydrophobicContact CG2-CG1 4.18Å; L58-I120 HydrophobicContact CD2-CD1 4.47Å; L58-I120 HydrophobicContact CD2-CG1 3.79Å; I120-L124 HydrophobicContact CG2-CD1 4.14Å; I120-F145 HydrophobicContact CD1-CD1 4.39Å; I120-F145 HydrophobicContact CD1-CE1 4.42Å; I120-F145 HydrophobicContact CG2-CE1 3.91Å; I120-F145 HydrophobicContact CG2-CZ 4.47Å; I120-K171 HydrophobicContact CG2-CD 4.03Å
121P91.6Very high92.8Very high37 Ų3737.3 Ų37.324%0.2419%0.194CC..  trans-59.8139.3173.1-2231.4000112.2Y81 T119 N123 L124Y81-P121 HydrophobicContact CD2-CG 3.94Å; Y81-P121 HydrophobicContact CE2-CG 3.51Å; T119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-N123 VanDerWaalsContact C-N 3.29Å; P121-N123 WeakPolarHBondContact CB-OD1 3.14Å; P121-N123 PolarHBondContact O-N 2.68Å; P121-L124 HydrophobicContact CB-CD1 4.39Å; P121-L124 HydrophobicContact CB-CG 4.17Å; P121-L124 HydrophobicContact CG-CD1 4.19Å; P121-L124 HydrophobicContact CG-CG 4.46Å; P121-L124 WeakPolarHBondContact O-CB 3.49Å; P121-L124 PolarHBondContact O-N 2.9Å
122Q87.1Confident92Very high100 Ų10031 Ų3147%0.46717%0.169SC..THydrogen-bonded Turntrans-66.1-30.6-174.7-66.8170.722.400113.4D33 V35 L124D33-Q122 VanDerWaalsContact C-NE2 3.32Å; D33-Q122 PolarHBondContact O-NE2 3.16Å; V35-Q122 HydrophobicContact CG2-CG 4.3Å; Q122-L124 PolarHBondContact O-N 2.8Å
123N87.5Confident91Very high102 Ų10228.2 Ų28.255%0.54516%0.159SC..THydrogen-bonded Turntrans-72.8-4.7-179.965.7-46.7000113.5P121 V315P121-N123 VanDerWaalsContact C-N 3.29Å; P121-N123 WeakPolarHBondContact CB-OD1 3.14Å; P121-N123 PolarHBondContact O-N 2.68Å; N123-V315 WeakPolarHBondContact O-CG1 3.45Å
124L90.9Very high89.8Confident7 Ų733.7 Ų33.74%0.03719%0.194CC..SBendtrans-77.4144.4175.9-63.4-176.6000111.8C60 Y81 I120 P121 Q122 F145 K171 V315C60-L124 HydrophobicContact CB-CD1 4.06Å; Y81-L124 HydrophobicContact CD1-CD1 3.91Å; Y81-L124 HydrophobicContact CD2-CD1 4.33Å; Y81-L124 HydrophobicContact CG-CD1 3.7Å; I120-L124 HydrophobicContact CG2-CD1 4.14Å; P121-L124 HydrophobicContact CB-CD1 4.39Å; P121-L124 HydrophobicContact CB-CG 4.17Å; P121-L124 HydrophobicContact CG-CD1 4.19Å; P121-L124 HydrophobicContact CG-CG 4.46Å; P121-L124 WeakPolarHBondContact O-CB 3.49Å; P121-L124 PolarHBondContact O-N 2.9Å; Q122-L124 PolarHBondContact O-N 2.8Å; L124-F145 HydrophobicContact CB-CE1 4.49Å; L124-F145 HydrophobicContact CB-CZ 4.14Å; L124-F145 HydrophobicContact CD1-CE1 4.06Å; L124-F145 HydrophobicContact CD1-CZ 4.5Å; L124-K171 WeakPolarHBondContact O-CE 3.28Å; L124-K171 PolarHBondContact O-NZ 3.4Å; L124-V315 HydrophobicContact CD2-CG1 4.39Å
125P91.7Very high88.5Confident9 Ų940.9 Ų40.96%0.05823%0.228CC..PPolyproline II helixtrans-69.7155.1-178.525.1-26.6000111.8L80 V143 F145 V315 L316L80-P125 HydrophobicContact CD1-CG 3.63Å; P125-V143 HydrophobicContact CB-CG1 4.27Å; P125-V143 HydrophobicContact CB-CG2 4.26Å; P125-V143 HydrophobicContact CG-CB 4.47Å; P125-V143 HydrophobicContact CG-CG1 3.74Å; P125-V143 HydrophobicContact CG-CG2 3.94Å; P125-F145 WeakPolarHBondContact O-CE2 3.42Å; P125-F145 VanDerWaalsContact O-CZ 3.28Å; P125-F145 WeakPolarHBondContact O-CZ 3.26Å; P125-V315 VanDerWaalsContact CD-O 3.22Å; P125-V315 WeakPolarHBondContact CD-O 3.26Å; P125-V315 WeakPolarHBondContact CG-O 3.34Å; P125-L316 VanDerWaalsContact CB-O 3.28Å; P125-L316 WeakPolarHBondContact CB-O 3.21Å
126C92.9Very high87.1Confident17 Ų1741 Ų4112%0.11523%0.226CC..PPolyproline II helixtrans-70.2161.3170.7-66.30000111.2V128 K171 Q173C126-V128 PolarHBondContact O-N 3.32Å; C126-K171 WeakPolarHBondContact CA-O 3.21Å; C126-K171 WeakPolarHBondContact CB-O 3.27Å; C126-Q173 VanDerWaalsContact SG-CD 3.57Å; C126-Q173 VanDerWaalsContact SG-CG 3.53Å
127S93.8Very high85.4Confident10 Ų1047.5 Ų47.57%0.0727%0.266CS..  trans-68.7115.7174.8-67.20000110.5V143 F145 R170 K171S127-V143 WeakPolarHBondContact CA-O 3.48Å; S127-F145 WeakPolarHBondContact OG-CD2 3.33Å; S127-R170 VanDerWaalsContact OG-CA 3.32Å; S127-R170 WeakPolarHBondContact OG-CA 3.46Å; S127-K171 PolarHBondContact N-O 3.07Å; S127-K171 PolarHBondContact OG-N 2.84Å
128V94Very high84Confident6 Ų646.9 Ų46.94%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-140.9134.1179.7178.50000108.2C126 G142 V143 A289 L290 A302 I318 V320C126-V128 PolarHBondContact O-N 3.32Å; V128-G142 CarbonylContact O-C 3.45Å; V128-G142 WeakPolarHBondContact O-CA 3.07Å; V128-V143 PolarHBondContact N-O 3.48Å; V128-V143 PolarHBondContact O-N 2.85Å; V128-A289 HydrophobicContact CG1-CB 3.95Å; V128-L290 WeakPolarHBondContact CA-O 3.45Å; V128-A302 HydrophobicContact CG1-CB 4.07Å; V128-A302 HydrophobicContact CG2-CB 4.48Å; V128-I318 HydrophobicContact CB-CB 4.34Å; V128-I318 HydrophobicContact CB-CD1 4.36Å; V128-I318 HydrophobicContact CG1-CB 4.05Å; V128-I318 HydrophobicContact CG1-CD1 4.05Å; V128-I318 HydrophobicContact CG1-CG2 4.01Å; V128-V320 HydrophobicContact CG1-CG2 3.94Å; V128-V320 HydrophobicContact CG2-CG2 4.45Å
129T92.1Very high82.8Confident13 Ų1351.2 Ų51.28%0.0829%0.294CS..EExtended strand (participates in β ladder)trans-123.4129.2176.4-59.10000109.6A140 C141 A289 L290T129-A140 HydrophobicContact CG2-CB 3.4Å; T129-A140 VanDerWaalsContact CG2-CB 3.4Å; T129-C141 CarbonylContact C-O 3.55Å; T129-C141 WeakPolarHBondContact CA-O 3.45Å; T129-A289 CarbonylContact O-C 3.51Å; T129-A289 WeakPolarHBondContact O-CA 3.44Å; T129-L290 PolarHBondContact N-O 2.87Å; T129-L290 PolarHBondContact O-N 3.1Å
130L90.2Very high82.1Confident7 Ų749 Ų494%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-83.4129.3168.4-65.2172.7000109.7P132 C141 A240 I242 Y250 A289 I318L130-P132 WeakPolarHBondContact O-CD 3.46Å; L130-C141 HydrophobicContact CB-CB 4.17Å; L130-C141 HydrophobicContact CD1-CB 4.25Å; L130-C141 PolarHBondContact N-O 2.92Å; L130-A240 HydrophobicContact CD2-CB 3.72Å; L130-I242 HydrophobicContact CD1-CD1 3.55Å; L130-I242 HydrophobicContact CD1-CG1 3.89Å; L130-Y250 HydrophobicContact CD1-CD2 3.92Å; L130-Y250 HydrophobicContact CD1-CE2 3.92Å; L130-A289 HydrophobicContact CD2-CB 3.85Å; L130-I318 HydrophobicContact CD1-CD1 4.21Å; L130-I318 HydrophobicContact CD2-CG2 4.49Å; L130-I318 HydrophobicContact CG-CD1 3.93Å
131Q82.9Confident81.7Confident14 Ų1449.3 Ų49.37%0.06529%0.287CS..PPolyproline II helixtrans-65.3124178178.8165.8-3.600110.9R283 K285 G287 L288 L290Q131-R283 PolarHBondContact NE2-O 2.93Å; Q131-K285 WeakPolarHBondContact CG-O 3.41Å; Q131-K285 PolarHBondContact OE1-O 2.9Å; Q131-G287 PolarHBondContact O-N 3.03Å; Q131-L288 HydrophobicContact CB-CB 4.18Å; Q131-L288 WeakPolarHBondContact CB-O 3.46Å; Q131-L288 PolarHBondContact N-O 2.73Å; Q131-L290 HydrophobicContact CB-CD1 4.38Å
132P77.1Confident81.6Confident50 Ų5047.6 Ų47.633%0.32528%0.276SS..PPolyproline II helixtrans-64.3147.3169.125.7-30.6000110.4L130 D136 A140L130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-D136 HydrophobicContact CB-CB 3.75Å; P132-A140 HydrophobicContact CG-CB 4.47Å
133G73.5Confident81.9Confident9 Ų942.9 Ų42.99%0.09325%0.254CS..PPolyproline II helixtrans-74.8167.7165.200000111.4E135 D136G133-E135 PolarHBondContact O-N 3.28Å; G133-E135 VanDerWaalsContact O-N 3.16Å; G133-D136 PolarHBondContact N-OD2 3.41Å; G133-D136 WeakPolarHBondContact O-CB 3.5Å; G133-D136 PolarHBondContact O-N 3.38Å
134P71.1Confident82.1Confident124 Ų12439.2 Ų39.281%0.80523%0.234SC*.THydrogen-bonded Turntrans-57.8-29180-24.934000114.7
135E69Low82.3Confident174 Ų17438.9 Ų38.981%0.81323%0.232SC*.THydrogen-bonded Turntrans-84-10.4-179.1-52.3-67.5167.500113G133 T137G133-E135 PolarHBondContact O-N 3.28Å; G133-E135 VanDerWaalsContact O-N 3.16Å; E135-T137 PolarHBondContact O-N 2.69Å
136D67.3Low82.6Confident40 Ų4039.3 Ų39.321%0.21423%0.234CC..  trans-84.7113.7-176.3-61.1-37.2000109.9R66 P132 G133R66-D136 IonicContact CZ-OD1 2.68Å; R66-D136 IonicContact CZ-OD2 3.54Å; R66-D136 VanDerWaalsContact CZ-OD2 3.29Å; R66-D136 IonicContact NH1-OD1 3.47Å; R66-D136 IonicContact NH1-OD2 2.8Å; R66-D136 PolarHBondContact NH1-OD2 2.74Å; R66-D136 VanDerWaalsContact NH2-CG 3.28Å; R66-D136 IonicContact NH2-OD1 3.1Å; R66-D136 PolarHBondContact NH2-OD1 3.18Å; R66-D136 IonicContact NH2-OD2 2.73Å; R66-D136 PolarHBondContact NH2-OD2 3.49Å; R66-D136 VanDerWaalsContact NH2-OD2 3.16Å; P132-D136 HydrophobicContact CB-CB 3.75Å; G133-D136 PolarHBondContact N-OD2 3.41Å; G133-D136 WeakPolarHBondContact O-CB 3.5Å; G133-D136 PolarHBondContact O-N 3.38Å
137T61.8Low82.8Confident137 Ų13738.5 Ų38.584%0.8423%0.228SC*.  trans-931.8-177.156.30000113.6E135E135-T137 PolarHBondContact O-N 2.69Å
138G64.4Low82.9Confident40 Ų4041.3 Ų41.341%0.41224%0.237SC..SBendtrans-93.9171.6-177.300000114.6
139K71.2Confident83.1Confident95 Ų9541 Ų4141%0.41324%0.235SC..PPolyproline II helixtrans-61.6146169.1-70.4-176.3176.6177.40109.4G65 C141G65-K139 CarbonylContact C-O 3.51Å; G65-K139 WeakPolarHBondContact CA-O 3.42Å; K139-C141 PolarHBondContact O-N 2.83Å
140A78.9Confident83.3Confident36 Ų3640.5 Ų40.530%0.29823%0.232SC..PPolyproline II helixtrans-57.3141.817700000112.3T129 P132T129-A140 HydrophobicContact CG2-CB 3.4Å; T129-A140 VanDerWaalsContact CG2-CB 3.4Å; P132-A140 HydrophobicContact CG-CB 4.47Å
141C85.7Confident83.5Confident8 Ų840.4 Ų40.45%0.05423%0.232CC..EExtended strand (participates in β ladder)trans-69133.5172.2-177.70000109.1R63 Y64 T129 L130 K139R63-C141 CarbonylContact O-C 3.5Å; R63-C141 WeakPolarHBondContact O-CA 3.32Å; R63-C141 PolarHBondContact O-SG 2.79Å; R63-C141 VanDerWaalsContact O-SG 3.32Å; Y64-C141 WeakPolarHBondContact O-CB 3.42Å; T129-C141 CarbonylContact C-O 3.55Å; T129-C141 WeakPolarHBondContact CA-O 3.45Å; L130-C141 HydrophobicContact CB-CB 4.17Å; L130-C141 HydrophobicContact CD1-CB 4.25Å; L130-C141 PolarHBondContact N-O 2.92Å; K139-C141 PolarHBondContact O-N 2.83Å
142G91Very high84Confident1 Ų139.8 Ų39.81%0.0123%0.229CC..EExtended strand (participates in β ladder)trans172.7174.5-17800000115.9F62 R63 V128F62-G142 CarbonylContact C-O 3.6Å; F62-G142 WeakPolarHBondContact CA-O 3.29Å; R63-G142 PolarHBondContact N-O 3.01Å; R63-G142 PolarHBondContact O-N 3.03Å; V128-G142 CarbonylContact O-C 3.45Å; V128-G142 WeakPolarHBondContact O-CA 3.07Å
143V92.3Very high84.8Confident1 Ų143 Ų431%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-106120.8171.6174.80000108.8A61 F62 P125 S127 V128 F145A61-V143 WeakPolarHBondContact O-CA 3.41Å; F62-V143 HydrophobicContact CD2-CG2 3.69Å; F62-V143 HydrophobicContact CE2-CG2 4.35Å; P125-V143 HydrophobicContact CB-CG1 4.27Å; P125-V143 HydrophobicContact CB-CG2 4.26Å; P125-V143 HydrophobicContact CG-CB 4.47Å; P125-V143 HydrophobicContact CG-CG1 3.74Å; P125-V143 HydrophobicContact CG-CG2 3.94Å; S127-V143 WeakPolarHBondContact CA-O 3.48Å; V128-V143 PolarHBondContact N-O 3.48Å; V128-V143 PolarHBondContact O-N 2.85Å; V143-F145 HydrophobicContact CG1-CE2 4.13Å
144D92.4Very high85.7Confident25 Ų2544.9 Ų44.913%0.13425%0.25CC..EExtended strand (participates in β ladder)trans-121.7151.6176.6-70.8-34.7000111.6C60 A61 V168C60-D144 WeakPolarHBondContact CA-O 3.3Å; A61-D144 PolarHBondContact N-O 2.93Å; A61-D144 PolarHBondContact O-N 3.01Å; D144-V168 HydrophobicContact CB-CG1 4.35Å
145F96Very high86.6Confident0 Ų043.2 Ų43.20%023%0.233CC..EExtended strand (participates in β ladder)trans-110.8117.5169.3-72.1-103000109.6L58 T59 C60 I120 L124 P125 S127 V143 V168 I169 K171L58-F145 HydrophobicContact CD1-CD1 4.45Å; T59-F145 CarbonylContact O-C 3.5Å; T59-F145 WeakPolarHBondContact O-CA 3.33Å; C60-F145 HydrophobicContact CB-CD1 3.96Å; C60-F145 HydrophobicContact CB-CE1 3.69Å; C60-F145 HydrophobicContact CB-CZ 4.08Å; C60-F145 WeakPolarHBondContact SG-CZ 3.34Å; I120-F145 HydrophobicContact CD1-CD1 4.39Å; I120-F145 HydrophobicContact CD1-CE1 4.42Å; I120-F145 HydrophobicContact CG2-CE1 3.91Å; I120-F145 HydrophobicContact CG2-CZ 4.47Å; L124-F145 HydrophobicContact CB-CE1 4.49Å; L124-F145 HydrophobicContact CB-CZ 4.14Å; L124-F145 HydrophobicContact CD1-CE1 4.06Å; L124-F145 HydrophobicContact CD1-CZ 4.5Å; P125-F145 WeakPolarHBondContact O-CE2 3.42Å; P125-F145 VanDerWaalsContact O-CZ 3.28Å; P125-F145 WeakPolarHBondContact O-CZ 3.26Å; S127-F145 WeakPolarHBondContact OG-CD2 3.33Å; V143-F145 HydrophobicContact CG1-CE2 4.13Å; F145-V168 CarbonylContact O-C 3.52Å; F145-V168 WeakPolarHBondContact O-CA 3.36Å; F145-I169 HydrophobicContact CB-CD1 4.12Å; F145-I169 HydrophobicContact CB-CG1 3.53Å; F145-I169 PolarHBondContact O-N 3.47Å; F145-K171 HydrophobicContact CD2-CB 3.95Å; F145-K171 HydrophobicContact CE1-CD 4.39Å; F145-K171 HydrophobicContact CE2-CB 3.51Å; F145-K171 HydrophobicContact CE2-CD 4.12Å; F145-K171 HydrophobicContact CE2-CG 4.46Å; F145-K171 HydrophobicContact CZ-CB 3.83Å; F145-K171 HydrophobicContact CZ-CD 3.65Å; F145-K171 HydrophobicContact CZ-CG 4.4Å
146E96.3Very high87.6Confident18 Ų1843.4 Ų43.48%0.08423%0.234CC..EExtended strand (participates in β ladder)trans-116.896.9-164.6179.9167.4103.900108.9T59 R63 R77 R166T59-E146 PolarHBondContact N-O 3.42Å; T59-E146 PolarHBondContact O-N 3.01Å; R63-E146 IonicContact NH2-OE1 3.27Å; R63-E146 IonicContact NH2-OE2 3.03Å; R63-E146 PolarHBondContact NH2-OE2 2.87Å; R77-E146 IonicContact CZ-OE1 2.61Å; R77-E146 VanDerWaalsContact CZ-OE1 3.27Å; R77-E146 IonicContact NH1-OE1 3.32Å; R77-E146 PolarHBondContact NH1-OE1 2.77Å; R77-E146 IonicContact NH2-OE1 2.79Å; R77-E146 PolarHBondContact NH2-OE1 2.89Å; E146-R166 HydrophobicContact CG-CG 4.24Å; E146-R166 IonicContact OE2-CZ 2.79Å; E146-R166 VanDerWaalsContact OE2-CZ 3.26Å; E146-R166 IonicContact OE2-NE 2.87Å; E146-R166 PolarHBondContact OE2-NE 3.34Å; E146-R166 IonicContact OE2-NH2 3.61Å; E146-R166 PolarHBondContact OE2-NH2 2.79Å
147I97.3Very high88.6Confident0 Ų045.2 Ų45.20%024%0.241CC..EExtended strand (participates in β ladder)trans-79.1127.4170.3-63.6174.4000108.3L23 V38 V56 T57 L58 R166 L167 I169L23-I147 HydrophobicContact CD1-CD1 3.78Å; L23-I147 HydrophobicContact CD2-CD1 4.34Å; V38-I147 HydrophobicContact CG1-CD1 3.58Å; V56-I147 HydrophobicContact CG1-CG2 3.89Å; T57-I147 CarbonylContact O-C 3.53Å; T57-I147 VanDerWaalsContact O-CA 3.29Å; T57-I147 WeakPolarHBondContact O-CA 3.48Å; L58-I147 HydrophobicContact CD1-CG1 3.88Å; I147-R166 WeakPolarHBondContact O-CA 3.19Å; I147-L167 HydrophobicContact CB-CB 4.33Å; I147-L167 HydrophobicContact CG2-CD1 4.26Å; I147-L167 PolarHBondContact N-O 3.42Å; I147-L167 PolarHBondContact O-N 3.47Å; I147-I169 HydrophobicContact CD1-CD1 4.04Å; I147-I169 HydrophobicContact CD1-CG1 4.4Å; I147-I169 HydrophobicContact CD1-CG2 3.68Å; I147-I169 HydrophobicContact CG1-CD1 4.24Å; I147-I169 HydrophobicContact CG1-CG1 4.41Å; I147-I169 HydrophobicContact CG1-CG2 4.32Å
148R96.9Very high89.9Confident69 Ų6947.5 Ų47.526%0.2624%0.239SC..EExtended strand (participates in β ladder)trans-129.8120175-165.8179.9-172.7-177.8-1110.8V56 T57 F150 I159 S164 V165V56-R148 CarbonylContact C-O 3.49Å; V56-R148 WeakPolarHBondContact CA-O 3.38Å; T57-R148 PolarHBondContact N-O 3.21Å; T57-R148 PolarHBondContact O-N 2.81Å; T57-R148 WeakPolarHBondContact OG1-CB 3.46Å; T57-R148 PolarHBondContact OG1-O 2.91Å; R148-F150 HydrophobicContact CG-CD1 4.32Å; R148-I159 VanDerWaalsContact CZ-CG2 3.45Å; R148-S164 PolarHBondContact NH2-OG 3.44Å; R148-V165 VanDerWaalsContact CA-O 3.29Å; R148-V165 WeakPolarHBondContact CA-O 3.22Å
149A97.3Very high91.2Very high0 Ų047.8 Ų47.80%023%0.231CC..EExtended strand (participates in β ladder)trans-105.8140.6170.300000110.4V19 V21 I42 F55 V56 S164 V165V19-A149 HydrophobicContact CG1-CB 4.26Å; V21-A149 HydrophobicContact CG2-CB 3.48Å; V21-A149 VanDerWaalsContact CG2-CB 3.48Å; I42-A149 HydrophobicContact CD1-CB 3.71Å; F55-A149 VanDerWaalsContact O-CA 3.3Å; F55-A149 WeakPolarHBondContact O-CA 3.47Å; V56-A149 HydrophobicContact CG1-CB 4.42Å; A149-S164 CarbonylContact O-C 3.56Å; A149-S164 WeakPolarHBondContact O-CA 3.2Å; A149-V165 HydrophobicContact CB-CG1 3.74Å; A149-V165 PolarHBondContact N-O 3.13Å; A149-V165 PolarHBondContact O-N 3.14Å
150F96Very high92.1Very high3 Ų349.4 Ų49.41%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-157.2155.9-17857.9-86000112.7V54 F55 T57 R148 A152 I159 N163V54-F150 WeakPolarHBondContact CA-O 3.4Å; F55-F150 HydrophobicContact CB-CD2 4.39Å; F55-F150 HydrophobicContact CB-CE1 3.99Å; F55-F150 HydrophobicContact CB-CE2 3.82Å; F55-F150 HydrophobicContact CB-CZ 3.6Å; F55-F150 HydrophobicContact CD2-CD2 4.39Å; F55-F150 AromaticContact CD2-CE2 3.78Å; F55-F150 HydrophobicContact CD2-CE2 3.78Å; F55-F150 HydrophobicContact CD2-CZ 4.31Å; F55-F150 HydrophobicContact CG-CE2 4.18Å; F55-F150 HydrophobicContact CG-CZ 4.26Å; F55-F150 PolarHBondContact N-O 2.81Å; F55-F150 PolarHBondContact O-N 3.47Å; T57-F150 HydrophobicContact CG2-CE1 3.85Å; T57-F150 HydrophobicContact CG2-CZ 4.35Å; R148-F150 HydrophobicContact CG-CD1 4.32Å; F150-A152 HydrophobicContact CD2-CB 3.94Å; F150-A152 HydrophobicContact CE2-CB 4.02Å; F150-I159 HydrophobicContact CB-CG2 3.64Å; F150-I159 HydrophobicContact CD1-CD1 3.85Å; F150-I159 HydrophobicContact CD1-CG1 4.26Å; F150-I159 HydrophobicContact CD1-CG2 4.14Å; F150-I159 HydrophobicContact CD2-CD1 4.36Å; F150-I159 HydrophobicContact CD2-CG1 3.92Å; F150-I159 HydrophobicContact CD2-CG2 4.07Å; F150-I159 HydrophobicContact CE1-CD1 3.55Å; F150-I159 HydrophobicContact CE1-CG1 4.18Å; F150-I159 HydrophobicContact CE2-CD1 4.1Å; F150-I159 HydrophobicContact CE2-CG1 3.83Å; F150-I159 HydrophobicContact CG-CD1 4.24Å; F150-I159 HydrophobicContact CG-CG1 4.14Å; F150-I159 HydrophobicContact CG-CG2 3.7Å; F150-I159 HydrophobicContact CZ-CD1 3.68Å; F150-I159 HydrophobicContact CZ-CG1 3.96Å; F150-N163 WeakPolarHBondContact CA-O 3.4Å
151C94.7Very high92.7Very high4 Ų453 Ų533%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-96.8130.6170-55.90000111.1V19 Y48 K53 N163V19-C151 WeakPolarHBondContact CG2-SG 3.36Å; Y48-C151 HydrophobicContact CE1-CB 4.42Å; K53-C151 CarbonylContact O-C 3.55Å; K53-C151 VanDerWaalsContact O-CA 3.23Å; K53-C151 WeakPolarHBondContact O-CA 3.35Å; C151-N163 PolarHBondContact O-ND2 2.89Å
152A94.1Very high93Very high1 Ų161.2 Ų61.21%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-154.9160.1177.300000111K53 F55 F150 S154 E157K53-A152 WeakPolarHBondContact CA-O 3.22Å; K53-A152 WeakPolarHBondContact CB-O 3.4Å; K53-A152 PolarHBondContact N-O 2.91Å; K53-A152 PolarHBondContact O-N 3.21Å; F55-A152 HydrophobicContact CD2-CB 4.32Å; F55-A152 HydrophobicContact CE2-CB 4.33Å; F150-A152 HydrophobicContact CD2-CB 3.94Å; F150-A152 HydrophobicContact CE2-CB 4.02Å; A152-S154 WeakPolarHBondContact CB-O 3.48Å; A152-E157 HydrophobicContact CB-CB 4.14Å
153K92.8Very high93Very high118 Ų11861.6 Ų61.651%0.51328%0.281SS..SBendtrans-73.7-36.7173.3-63.5-169.7-176.3-137.50111.8D51 R52 E157D51-K153 IonicContact OD1-NZ 4Å; D51-K153 WeakPolarHBondContact OD2-CE 3.47Å; D51-K153 IonicContact OD2-NZ 2.75Å; D51-K153 PolarHBondContact OD2-NZ 3.02Å; R52-K153 HydrophobicContact CG-CG 3.97Å; K153-E157 WeakPolarHBondContact CB-OE2 3.25Å; K153-E157 PolarHBondContact N-OE2 2.71Å
154S92.5Very high93.1Very high49 Ų4962.1 Ų62.134%0.34328%0.284SS..SBendtrans-138.8163.8175.569.80000111.2A152 E156 E157A152-S154 WeakPolarHBondContact CB-O 3.48Å; S154-E156 PolarHBondContact O-N 3.42Å; S154-E157 WeakPolarHBondContact O-CB 3.46Å; S154-E157 PolarHBondContact O-N 3.16Å; S154-E157 PolarHBondContact OG-N 2.65Å
155I90.2Very high93.2Very high89 Ų8961 Ų6146%0.45628%0.278SS..THydrogen-bonded Turntrans-66.5-25.3176.1-168.1174.1000112.8F55 T84 E157F55-I155 HydrophobicContact CE1-CB 4.47Å; F55-I155 HydrophobicContact CZ-CB 4.46Å; T84-I155 HydrophobicContact CG2-CD1 3.48Å; T84-I155 VanDerWaalsContact CG2-CD1 3.48Å; T84-I155 HydrophobicContact CG2-CG1 4.18Å; I155-E157 VanDerWaalsContact C-N 3.33Å
156E89.7Confident93.2Very high177 Ų17763.8 Ų63.883%0.82729%0.289SS*.THydrogen-bonded Turntrans-81.1-14.8-179.6-62.9170.9-173.700112.6S154S154-E156 PolarHBondContact O-N 3.42Å
157E89.5Confident93.1Very high78 Ų7863 Ų6336%0.36429%0.285SS..SBendtrans-65.1137179.8-170.8-178161.100110.8A152 K153 S154 I155 I159A152-E157 HydrophobicContact CB-CB 4.14Å; K153-E157 WeakPolarHBondContact CB-OE2 3.25Å; K153-E157 PolarHBondContact N-OE2 2.71Å; S154-E157 WeakPolarHBondContact O-CB 3.46Å; S154-E157 PolarHBondContact O-N 3.16Å; S154-E157 PolarHBondContact OG-N 2.65Å; I155-E157 VanDerWaalsContact C-N 3.33Å; E157-I159 PolarHBondContact O-N 2.81Å
158K89.7Confident93Very high185 Ų18564.4 Ų64.480%0.80429%0.294SS*.  trans-59.2115.8177-175.1178-179177.30110.4H160K158-H160 PolarHBondContact O-N 2.82Å
159I90.8Very high93Very high46 Ų4661.1 Ų61.124%0.23628%0.282CS..  trans-65.4119.2-177.6-52.3168.9000110.7R148 F150 E157R148-I159 VanDerWaalsContact CZ-CG2 3.45Å; F150-I159 HydrophobicContact CB-CG2 3.64Å; F150-I159 HydrophobicContact CD1-CD1 3.85Å; F150-I159 HydrophobicContact CD1-CG1 4.26Å; F150-I159 HydrophobicContact CD1-CG2 4.14Å; F150-I159 HydrophobicContact CD2-CD1 4.36Å; F150-I159 HydrophobicContact CD2-CG1 3.92Å; F150-I159 HydrophobicContact CD2-CG2 4.07Å; F150-I159 HydrophobicContact CE1-CD1 3.55Å; F150-I159 HydrophobicContact CE1-CG1 4.18Å; F150-I159 HydrophobicContact CE2-CD1 4.1Å; F150-I159 HydrophobicContact CE2-CG1 3.83Å; F150-I159 HydrophobicContact CG-CD1 4.24Å; F150-I159 HydrophobicContact CG-CG1 4.14Å; F150-I159 HydrophobicContact CG-CG2 3.7Å; F150-I159 HydrophobicContact CZ-CD1 3.68Å; F150-I159 HydrophobicContact CZ-CG1 3.96Å; E157-I159 PolarHBondContact O-N 2.81Å
160H91Very high92.9Very high130 Ų13062 Ų6260%0.60229%0.285SS*.  trans-78.6133.7174.8-100.2-86.3000111.6K158 R162 N163 S164K158-H160 PolarHBondContact O-N 2.82Å; H160-R162 VanDerWaalsContact C-N 3.31Å; H160-R162 PolarHBondContact O-N 2.82Å; H160-N163 WeakPolarHBondContact CB-OD1 3.39Å; H160-N163 PolarHBondContact O-N 2.9Å; H160-N163 PolarHBondContact O-OD1 3.36Å; H160-S164 WeakPolarHBondContact O-CB 3.32Å; H160-S164 PolarHBondContact O-N 3.16Å; H160-S164 PolarHBondContact O-OG 3.44Å
161K90Very high92.8Very high112 Ų11262 Ų6249%0.48729%0.285SS..G310 helixtrans-57.1-44.1177.2-72.7-172164.9-151.20112.4N163 S164 C415K161-N163 PolarHBondContact O-N 2.94Å; K161-N163 VanDerWaalsContact O-N 3.13Å; K161-S164 PolarHBondContact O-N 2.93Å; K161-S164 VanDerWaalsContact O-N 3.11Å; K161-S164 PolarHBondContact O-OG 3.35Å; K161-C415 PolarHBondContact NZ-O 2.84Å
162R92Very high92.8Very high180 Ų18062.7 Ų62.768%0.67929%0.289SS*.G310 helixtrans-55.8-32.9-175-177.6175.2-178.1-174.32114.4P15 N16 H160P15-R162 WeakPolarHBondContact CD-O 3.31Å; N16-R162 HydrophobicContact CB-CG 3.9Å; N16-R162 WeakPolarHBondContact CB-O 3.33Å; N16-R162 PolarHBondContact N-O 2.72Å; N16-R162 VanDerWaalsContact N-O 3.16Å; N16-R162 PolarHBondContact OD1-O 2.88Å; H160-R162 VanDerWaalsContact C-N 3.31Å; H160-R162 PolarHBondContact O-N 2.82Å
163N91.3Very high92.6Very high9 Ų963.3 Ų63.35%0.04829%0.292CS..G310 helixtrans-116.520-177.871.6-23.6000112.7Y48 F150 C151 H160 K161Y48-N163 HydrophobicContact CE1-CB 3.84Å; Y48-N163 WeakPolarHBondContact OH-CB 3.23Å; F150-N163 WeakPolarHBondContact CA-O 3.4Å; C151-N163 PolarHBondContact O-ND2 2.89Å; H160-N163 WeakPolarHBondContact CB-OD1 3.39Å; H160-N163 PolarHBondContact O-N 2.9Å; H160-N163 PolarHBondContact O-OD1 3.36Å; K161-N163 PolarHBondContact O-N 2.94Å; K161-N163 VanDerWaalsContact O-N 3.13Å
164S93.7Very high92.5Very high11 Ų1160.5 Ų60.58%0.07728%0.278CS..EExtended strand (participates in β ladder)trans-118.8150.7175.174.20000110.5P15 R148 A149 H160 K161P15-S164 VanDerWaalsContact CD-O 3.25Å; P15-S164 WeakPolarHBondContact CD-O 3.28Å; R148-S164 PolarHBondContact NH2-OG 3.44Å; A149-S164 CarbonylContact O-C 3.56Å; A149-S164 WeakPolarHBondContact O-CA 3.2Å; H160-S164 WeakPolarHBondContact O-CB 3.32Å; H160-S164 PolarHBondContact O-N 3.16Å; H160-S164 PolarHBondContact O-OG 3.44Å; K161-S164 PolarHBondContact O-N 2.93Å; K161-S164 VanDerWaalsContact O-N 3.11Å; K161-S164 PolarHBondContact O-OG 3.35Å
165V95.6Very high92.3Very high3 Ų358.3 Ų58.32%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-127.7127.5175.357.80000109.3K12 V19 V21 R148 A149 L167K12-V165 HydrophobicContact CB-CG2 3.8Å; K12-V165 HydrophobicContact CD-CG2 3.77Å; K12-V165 HydrophobicContact CG-CG2 3.6Å; V19-V165 HydrophobicContact CG1-CG1 4.34Å; V21-V165 HydrophobicContact CB-CG1 4.41Å; V21-V165 HydrophobicContact CG2-CG1 3.47Å; V21-V165 VanDerWaalsContact CG2-CG1 3.47Å; R148-V165 VanDerWaalsContact CA-O 3.29Å; R148-V165 WeakPolarHBondContact CA-O 3.22Å; A149-V165 HydrophobicContact CB-CG1 3.74Å; A149-V165 PolarHBondContact N-O 3.13Å; A149-V165 PolarHBondContact O-N 3.14Å; V165-L167 HydrophobicContact CG1-CD1 4.35Å; V165-L167 HydrophobicContact CG2-CD1 3.94Å
166R95.1Very high92Very high57 Ų5756.6 Ų56.622%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-103.8126.3177.3-178.7-173.9-174.6-106.1-6.5110K12 E146 I147 V168 D414K12-R166 WeakPolarHBondContact CD-O 3.36Å; K12-R166 WeakPolarHBondContact CE-O 3.44Å; K12-R166 PolarHBondContact NZ-O 3.08Å; E146-R166 HydrophobicContact CG-CG 4.24Å; E146-R166 IonicContact OE2-CZ 2.79Å; E146-R166 VanDerWaalsContact OE2-CZ 3.26Å; E146-R166 IonicContact OE2-NE 2.87Å; E146-R166 PolarHBondContact OE2-NE 3.34Å; E146-R166 IonicContact OE2-NH2 3.61Å; E146-R166 PolarHBondContact OE2-NH2 2.79Å; I147-R166 WeakPolarHBondContact O-CA 3.19Å; R166-V168 VanDerWaalsContact NH1-CG2 3.33Å; R166-V168 VanDerWaalsContact NH2-CG2 3.32Å; R166-D414 IonicContact CZ-OD1 3.33Å; R166-D414 IonicContact NH1-OD1 3.67Å; R166-D414 PolarHBondContact NH1-OD1 3.21Å; R166-D414 IonicContact NH1-OD2 3.05Å
167L95.6Very high91.5Very high1 Ų155.5 Ų55.51%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-124.3130171.8-53.491.8000108.6K12 V21 L23 I147 V165 F399K12-L167 HydrophobicContact CB-CD2 3.89Å; K12-L167 HydrophobicContact CB-CG 4.16Å; K12-L167 HydrophobicContact CD-CG 4.21Å; V21-L167 HydrophobicContact CB-CD1 3.87Å; V21-L167 HydrophobicContact CB-CD2 4.26Å; V21-L167 HydrophobicContact CG1-CD1 3.9Å; V21-L167 HydrophobicContact CG1-CD2 4.02Å; V21-L167 HydrophobicContact CG2-CD1 3.99Å; L23-L167 HydrophobicContact CD1-CD2 4Å; I147-L167 HydrophobicContact CB-CB 4.33Å; I147-L167 HydrophobicContact CG2-CD1 4.26Å; I147-L167 PolarHBondContact N-O 3.42Å; I147-L167 PolarHBondContact O-N 3.47Å; V165-L167 HydrophobicContact CG1-CD1 4.35Å; V165-L167 HydrophobicContact CG2-CD1 3.94Å; L167-F399 HydrophobicContact CB-CD1 3.98Å; L167-F399 HydrophobicContact CB-CE1 3.74Å; L167-F399 HydrophobicContact CB-CE2 4.33Å; L167-F399 HydrophobicContact CB-CG 4.41Å; L167-F399 HydrophobicContact CB-CZ 3.93Å; L167-F399 HydrophobicContact CD2-CB 4.05Å; L167-F399 HydrophobicContact CD2-CD1 4.03Å; L167-F399 HydrophobicContact CD2-CD2 3.62Å; L167-F399 HydrophobicContact CD2-CE1 4.44Å; L167-F399 HydrophobicContact CD2-CE2 4.05Å; L167-F399 HydrophobicContact CD2-CG 3.62Å; L167-F399 HydrophobicContact CD2-CZ 4.45Å; L167-F399 HydrophobicContact CG-CD1 4.27Å; L167-F399 HydrophobicContact CG-CG 4.35Å
168V94.9Very high91.1Very high31 Ų3160.3 Ų60.319%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-100.9109.4175.2-177.90000109.1D144 F145 R166 F399D144-V168 HydrophobicContact CB-CG1 4.35Å; F145-V168 CarbonylContact O-C 3.52Å; F145-V168 WeakPolarHBondContact O-CA 3.36Å; R166-V168 VanDerWaalsContact NH1-CG2 3.33Å; R166-V168 VanDerWaalsContact NH2-CG2 3.32Å; V168-F399 WeakPolarHBondContact O-CE1 3.06Å; V168-F399 WeakPolarHBondContact O-CZ 3.29Å
169I95.9Very high90.5Very high0 Ų055.5 Ų55.50%026%0.26CS..EExtended strand (participates in β ladder)trans-93164.3174.763.7165.7000109.6L23 R26 F28 V38 L58 F145 I147 F399L23-I169 HydrophobicContact CD1-CG2 4.13Å; R26-I169 CarbonylContact O-C 3.52Å; R26-I169 VanDerWaalsContact O-CA 3.26Å; R26-I169 WeakPolarHBondContact O-CA 3.48Å; R26-I169 WeakPolarHBondContact O-CB 3.49Å; F28-I169 HydrophobicContact CD2-CB 3.98Å; F28-I169 HydrophobicContact CD2-CD1 3.66Å; F28-I169 HydrophobicContact CD2-CG1 4.33Å; F28-I169 HydrophobicContact CD2-CG2 4.4Å; F28-I169 HydrophobicContact CE2-CB 3.85Å; F28-I169 HydrophobicContact CE2-CD1 3.76Å; F28-I169 HydrophobicContact CE2-CG1 4.4Å; F28-I169 HydrophobicContact CE2-CG2 3.75Å; F28-I169 HydrophobicContact CG-CD1 4.47Å; V38-I169 HydrophobicContact CG1-CD1 4.49Å; V38-I169 HydrophobicContact CG2-CD1 3.69Å; L58-I169 HydrophobicContact CD1-CD1 3.96Å; F145-I169 HydrophobicContact CB-CD1 4.12Å; F145-I169 HydrophobicContact CB-CG1 3.53Å; F145-I169 PolarHBondContact O-N 3.47Å; I147-I169 HydrophobicContact CD1-CD1 4.04Å; I147-I169 HydrophobicContact CD1-CG1 4.4Å; I147-I169 HydrophobicContact CD1-CG2 3.68Å; I147-I169 HydrophobicContact CG1-CD1 4.24Å; I147-I169 HydrophobicContact CG1-CG1 4.41Å; I147-I169 HydrophobicContact CG1-CG2 4.32Å; I169-F399 HydrophobicContact CG2-CE2 4.26Å; I169-F399 HydrophobicContact CG2-CZ 3.85Å
170R95.6Very high90.2Very high19 Ų1955 Ų557%0.07227%0.266CS..EExtended strand (participates in β ladder)trans-113.1138.8172.7-63-172.3-69.7-172.6-0.6111.4R26 D27 F28 S127 V172 D291 D298R26-R170 PolarHBondContact O-N 2.92Å; D27-R170 CarbonylContact C-O 3.53Å; D27-R170 WeakPolarHBondContact CA-O 3.39Å; D27-R170 WeakPolarHBondContact OD1-CB 3.47Å; D27-R170 IonicContact OD1-CZ 3.49Å; D27-R170 IonicContact OD1-NE 2.71Å; D27-R170 PolarHBondContact OD1-NE 2.96Å; D27-R170 IonicContact OD1-NH2 3.8Å; D27-R170 PolarHBondContact OD1-NH2 2.65Å; D27-R170 IonicContact OD2-CZ 3.74Å; D27-R170 IonicContact OD2-NE 2.72Å; D27-R170 IonicContact OD2-NH2 2.68Å; D27-R170 PolarHBondContact OD2-NH2 3.22Å; F28-R170 PolarHBondContact N-O 3.27Å; S127-R170 VanDerWaalsContact OG-CA 3.32Å; S127-R170 WeakPolarHBondContact OG-CA 3.46Å; R170-V172 HydrophobicContact CB-CG1 3.93Å; R170-D291 WeakPolarHBondContact CD-O 3.14Å; R170-D291 PolarHBondContact NH1-O 2.8Å; R170-D291 IonicContact NH1-OD1 3.13Å; R170-D298 IonicContact CZ-OD2 2.69Å; R170-D298 PolarHBondContact NH1-O 2.8Å; R170-D298 IonicContact NH2-OD2 3.65Å; R170-D298 PolarHBondContact NH2-OD2 3.23Å
171K94.7Very high90.2Very high2 Ų254 Ų541%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-93.3117.2160.6-179.8178-179.3-87.70107.9F28 D30 V35 I120 L124 C126 S127 F145F28-K171 WeakPolarHBondContact O-CA 3.37Å; D30-K171 HydrophobicContact CB-CG 4.26Å; D30-K171 IonicContact OD2-NZ 2.93Å; D30-K171 PolarHBondContact OD2-NZ 2.88Å; V35-K171 HydrophobicContact CG1-CG 4.47Å; I120-K171 HydrophobicContact CG2-CD 4.03Å; L124-K171 WeakPolarHBondContact O-CE 3.28Å; L124-K171 PolarHBondContact O-NZ 3.4Å; C126-K171 WeakPolarHBondContact CA-O 3.21Å; C126-K171 WeakPolarHBondContact CB-O 3.27Å; S127-K171 PolarHBondContact N-O 3.07Å; S127-K171 PolarHBondContact OG-N 2.84Å; F145-K171 HydrophobicContact CD2-CB 3.95Å; F145-K171 HydrophobicContact CE1-CD 4.39Å; F145-K171 HydrophobicContact CE2-CB 3.51Å; F145-K171 HydrophobicContact CE2-CD 4.12Å; F145-K171 HydrophobicContact CE2-CG 4.46Å; F145-K171 HydrophobicContact CZ-CB 3.83Å; F145-K171 HydrophobicContact CZ-CD 3.65Å; F145-K171 HydrophobicContact CZ-CG 4.4Å
172V93.5Very high90.4Very high18 Ų1853.9 Ų53.911%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-121150.5-175.3-61.70000110.8D27 F28 V29 D30 R170D27-V172 HydrophobicContact CB-CG1 4.41Å; D27-V172 HydrophobicContact CB-CG2 4.24Å; F28-V172 PolarHBondContact O-N 2.88Å; V29-V172 CarbonylContact C-O 3.59Å; V29-V172 WeakPolarHBondContact CA-O 3.32Å; V29-V172 HydrophobicContact CG2-CG2 4.36Å; D30-V172 PolarHBondContact N-O 2.87Å; R170-V172 HydrophobicContact CB-CG1 3.93Å
173Q91.3Very high90.5Very high15 Ų1546.1 Ų46.17%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-111.8133.8170.7-78.7173.3-11.100109.2D30 C126 I306 M353D30-Q173 HydrophobicContact CB-CG 3.72Å; D30-Q173 PolarHBondContact OD2-NE2 3.23Å; C126-Q173 VanDerWaalsContact SG-CD 3.57Å; C126-Q173 VanDerWaalsContact SG-CG 3.53Å; Q173-I306 PolarHBondContact NE2-O 2.57Å; Q173-I306 VanDerWaalsContact NE2-O 3.1Å; Q173-I306 VanDerWaalsContact OE1-N 3.15Å; Q173-M353 HydrophobicContact CB-CE 3.52Å
174Y88.9Confident90.8Very high59 Ų5951.1 Ų51.123%0.23127%0.269CS..BIsolated β-bridgetrans-92.8161.9168.2-69.7-53.5000110.9V29 M353 H354 P355 K356 P357V29-Y174 HydrophobicContact CB-CD2 4.3Å; V29-Y174 HydrophobicContact CB-CE2 4.27Å; V29-Y174 HydrophobicContact CG1-CD2 3.45Å; V29-Y174 VanDerWaalsContact CG1-CD2 3.45Å; V29-Y174 HydrophobicContact CG1-CE2 3.92Å; V29-Y174 HydrophobicContact CG1-CG 4.37Å; V29-Y174 HydrophobicContact CG2-CD2 3.8Å; V29-Y174 HydrophobicContact CG2-CE2 3.31Å; Y174-M353 WeakPolarHBondContact O-CE 3.42Å; Y174-H354 HydrophobicContact CD1-CB 3.56Å; Y174-H354 HydrophobicContact CE1-CB 3.66Å; Y174-P355 WeakPolarHBondContact CD1-O 3.21Å; Y174-P355 WeakPolarHBondContact CE1-O 3.47Å; Y174-K356 HydrophobicContact CG-CG 4.38Å; Y174-P357 HydrophobicContact CE1-CG 4.42Å; Y174-P357 HydrophobicContact CE2-CG 3.71Å; Y174-P357 VanDerWaalsContact CZ-CD 3.47Å; Y174-P357 WeakPolarHBondContact OH-CG 3.44Å
175A88.5Confident91Very high2 Ų252.7 Ų52.72%0.01728%0.278CS..PPolyproline II helixtrans-58.7145.1178.100000112.9L208 Y210 M353 H354 K356A175-L208 HydrophobicContact CB-CD1 3.78Å; A175-L208 HydrophobicContact CB-CD2 3.68Å; A175-L208 HydrophobicContact CB-CG 4.25Å; A175-Y210 HydrophobicContact CB-CD1 4.43Å; A175-Y210 HydrophobicContact CB-CE1 3.62Å; A175-M353 HydrophobicContact CB-CB 4Å; A175-M353 HydrophobicContact CB-SD 4.48Å; A175-H354 PolarHBondContact N-O 3.12Å; A175-K356 WeakPolarHBondContact O-CE 3.44Å
176P85.4Confident91Very high53 Ų5358.1 Ų58.134%0.34430%0.304SS..PPolyproline II helixtrans-63.9152.3170.928.8-34.4000110.7K178 L208 I306P176-K178 VanDerWaalsContact C-N 3.32Å; P176-K178 PolarHBondContact O-N 2.98Å; P176-L208 HydrophobicContact CG-CD2 4.5Å; P176-I306 HydrophobicContact CG-CD1 4.38Å
177E78.2Confident91.1Very high155 Ų15557.9 Ų57.972%0.72431%0.309SS*.SBendtrans-67.8-32-177.8-75170.1-161.900113.4K356E177-K356 HydrophobicContact CG-CD 4.39Å; E177-K356 IonicContact OE1-NZ 3.63Å; E177-K356 PolarHBondContact OE1-NZ 2.79Å
178K81Confident91Very high179 Ų17961.7 Ų61.778%0.77833%0.332SS*.SBendtrans-102.2115.4-178.5-65.9-177.1-178.3178.10108.8P176P176-K178 VanDerWaalsContact C-N 3.32Å; P176-K178 PolarHBondContact O-N 2.98Å
179P78.1Confident90.8Very high84 Ų8466.2 Ų66.255%0.54535%0.346SS..  trans-64.1141168.128.8-32.5000108.5
180G84.5Confident90.3Very high35 Ų3570 Ų7036%0.36137%0.372SS..  trans-84.4-170.7172.500000112.4E207G180-E207 WeakPolarHBondContact CA-OE2 3.39Å; G180-E207 PolarHBondContact N-OE2 3.47Å
181P91.5Very high89.6Confident109 Ų10970 Ų7071%0.70837%0.373SS*.PPolyproline II helixtrans-69.3154.9-168.330.2-35.9000112.4P183P181-P183 WeakPolarHBondContact O-CD 3.37Å
182Q92.8Very high88.8Confident110 Ų11076.1 Ų76.151%0.51441%0.405SS..PPolyproline II helixtrans-57.8119.1176.2-167.5-178.90.600111.2M184 L204Q182-M184 PolarHBondContact O-N 3.1Å; Q182-L204 WeakPolarHBondContact CG-O 3.43Å; Q182-L204 PolarHBondContact NE2-O 3.22Å
183P95.6Very high87.8Confident17 Ų1785 Ų8511%0.1145%0.447CS..PPolyproline II helixtrans-66.9129176.9-22.434.4000111.3P181 S203 L204 K206 E207 L348P181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-S203 CarbonylContact O-C 3.55Å; P183-S203 VanDerWaalsContact O-CA 3.23Å; P183-S203 WeakPolarHBondContact O-CA 3.32Å; P183-S203 WeakPolarHBondContact O-CB 3.43Å; P183-L204 HydrophobicContact CB-CB 4.44Å; P183-L204 HydrophobicContact CB-CD1 4.29Å; P183-L204 HydrophobicContact CB-CG 4.37Å; P183-L204 HydrophobicContact CG-CB 4.38Å; P183-L204 HydrophobicContact CG-CD1 4.23Å; P183-L204 PolarHBondContact O-N 3.42Å; P183-K206 VanDerWaalsContact CD-C 3.47Å; P183-K206 WeakPolarHBondContact CD-O 3.46Å; P183-E207 HydrophobicContact CG-CB 4.08Å; P183-E207 HydrophobicContact CG-CG 4.25Å; P183-L348 HydrophobicContact CB-CB 4.49Å; P183-L348 HydrophobicContact CB-CD2 4.11Å; P183-L348 WeakPolarHBondContact O-CD2 3.31Å
184M96.6Very high87.2Confident113 Ų11385.4 Ų85.456%0.55745%0.452SS*.EExtended strand (participates in β ladder)trans-140.6139.7176.2179.2178.7165.600109.9Q182 E201 A202Q182-M184 PolarHBondContact O-N 3.1Å; M184-E201 HydrophobicContact CE-CG 3.85Å; M184-E201 WeakPolarHBondContact CE-OE1 3.39Å; M184-A202 WeakPolarHBondContact CA-O 3.46Å
185V97.2Very high86.8Confident45 Ų4591 Ų9127%0.27349%0.486SS..EExtended strand (participates in β ladder)trans-145.3143.7176.170.50000109.7A202 V346 L348V185-A202 PolarHBondContact N-O 2.89Å; V185-A202 PolarHBondContact O-N 3.04Å; V185-V346 HydrophobicContact CG1-CB 3.55Å; V185-V346 HydrophobicContact CG1-CG1 4.18Å; V185-V346 HydrophobicContact CG1-CG2 3.68Å; V185-V346 HydrophobicContact CG2-CB 4.4Å; V185-V346 HydrophobicContact CG2-CG1 4.47Å; V185-L348 HydrophobicContact CB-CG 4.34Å; V185-L348 HydrophobicContact CG1-CD1 3.75Å; V185-L348 HydrophobicContact CG1-CD2 3.96Å; V185-L348 HydrophobicContact CG1-CG 3.51Å
186E96.5Very high86.7Confident117 Ų11797.1 Ų97.155%0.54751%0.509SS..EExtended strand (participates in β ladder)trans-132.2155.9175.560.8173.4-14500111.4H199 L200 E201E186-H199 IonicContact OE2-CE1 3.53Å; E186-H199 IonicContact OE2-NE2 4Å; E186-L200 CarbonylContact C-O 3.45Å; E186-L200 VanDerWaalsContact CA-O 3.26Å; E186-L200 WeakPolarHBondContact CA-O 2.98Å; E186-E201 HydrophobicContact CB-CB 4.33Å; E186-E201 HydrophobicContact CB-CG 4.45Å
187T96.1Very high87.1Confident52 Ų5296.2 Ų96.232%0.31950%0.504SS..EExtended strand (participates in β ladder)trans-149.8146.2172.6-164.10000110.4H199 L200 V344 V346T187-H199 WeakPolarHBondContact O-CA 3.26Å; T187-L200 HydrophobicContact CG2-CB 4.11Å; T187-L200 HydrophobicContact CG2-CD2 4.46Å; T187-L200 PolarHBondContact N-O 3.4Å; T187-L200 PolarHBondContact O-N 2.79Å; T187-V344 HydrophobicContact CG2-CG1 3.62Å; T187-V346 HydrophobicContact CG2-CG1 3.39Å
188T93.9Very high87.8Confident81 Ų8188.9 Ų88.950%0.49747%0.469SS..EExtended strand (participates in β ladder)trans-120.2130.4176.2-58.80000109H199T188-H199 PolarHBondContact OG1-ND1 3.44Å
189R90.5Very high88.5Confident126 Ų12681.9 Ų81.948%0.47544%0.44SS..EExtended strand (participates in β ladder)trans-119.3122.7177.7-171.468.8-178.1-170.23.3110.7S197 L198 V344R189-S197 CarbonylContact O-C 3.39Å; R189-S197 VanDerWaalsContact O-CA 3.29Å; R189-S197 WeakPolarHBondContact O-CA 3.48Å; R189-L198 PolarHBondContact N-O 2.89Å; R189-L198 PolarHBondContact O-N 3.36Å; R189-V344 HydrophobicContact CB-CG2 3.55Å; R189-V344 HydrophobicContact CG-CG2 3.76Å
190S86.5Confident89.5Confident80 Ų8077.9 Ų77.956%0.55941%0.414SS*.EExtended strand (participates in β ladder)trans-88.3151.9163.852.20000110.7
191F80.7Confident90.1Very high17 Ų1778.5 Ų78.58%0.07541%0.407CS..EExtended strand (participates in β ladder)trans-107.4151.9178.4-64-86.2000110.1M193 S194 L198 K227 I330F191-M193 PolarHBondContact O-N 2.81Å; F191-S194 PolarHBondContact O-N 3.41Å; F191-S194 VanDerWaalsContact O-O 3.06Å; F191-L198 HydrophobicContact CE2-CB 3.74Å; F191-L198 HydrophobicContact CZ-CB 4.17Å; F191-L198 HydrophobicContact CZ-CD2 4.18Å; F191-K227 HydrophobicContact CD1-CG 4.28Å; F191-K227 HydrophobicContact CD2-CG 4.44Å; F191-K227 HydrophobicContact CE1-CG 4.35Å; F191-K227 HydrophobicContact CE2-CG 4.5Å; F191-K227 HydrophobicContact CG-CG 4.33Å; F191-K227 HydrophobicContact CZ-CG 4.46Å; F191-I330 HydrophobicContact CE1-CD1 3.77Å; F191-I330 HydrophobicContact CE1-CG2 4.25Å; F191-I330 HydrophobicContact CZ-CD1 3.63Å; F191-I330 HydrophobicContact CZ-CG2 4.43Å
192L76.9Confident90.4Very high132 Ų13273.3 Ų73.369%0.69137%0.374SS*.THydrogen-bonded Turntrans-59.2138.7175.7-69169.2000109.6S194 L340L192-S194 VanDerWaalsContact C-N 3.26Å; L192-S194 PolarHBondContact O-N 3.26Å; L192-L340 HydrophobicContact CD1-CB 4.42Å; L192-L340 HydrophobicContact CD1-CD1 4.17Å
193M73.4Confident90.7Very high203 Ų20368.9 Ų68.9100%135%0.354SS*.THydrogen-bonded Turntrans66.715.5-179.2-45.3-179.4-172.400115.5F191F191-M193 PolarHBondContact O-N 2.81Å
194S77.6Confident90.8Very high25 Ų2568 Ų6818%0.17535%0.349CS..EExtended strand (participates in β ladder)trans-141.5130.3172.2-168.30000111.7F191 L192 R196F191-S194 PolarHBondContact O-N 3.41Å; F191-S194 VanDerWaalsContact O-O 3.06Å; L192-S194 VanDerWaalsContact C-N 3.26Å; L192-S194 PolarHBondContact O-N 3.26Å; S194-R196 PolarHBondContact O-N 3.38Å; S194-R196 WeakPolarHBondContact OG-CB 3.36Å; S194-R196 PolarHBondContact OG-N 2.81Å
195D80.7Confident90.7Very high177 Ų17766.1 Ų66.195%0.94734%0.341SS*.EExtended strand (participates in β ladder)trans-75.2-0.7170.6-59.4-28.7000112.3
196R88.2Confident90.6Very high130 Ų13066.3 Ų66.349%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-89.1142.4179.5-54.4-167.9-173.4-172.6-3.1111.2S194 N224S194-R196 PolarHBondContact O-N 3.38Å; S194-R196 WeakPolarHBondContact OG-CB 3.36Å; S194-R196 PolarHBondContact OG-N 2.81Å; R196-N224 VanDerWaalsContact CB-O 3.29Å; R196-N224 WeakPolarHBondContact CB-O 3.5Å; R196-N224 WeakPolarHBondContact CD-O 3.47Å
197S91.9Very high90.6Very high33 Ų3363.8 Ų63.823%0.23133%0.326CS..EExtended strand (participates in β ladder)trans-116.6159-173.861.70000113.4R189 N224 S225R189-S197 CarbonylContact O-C 3.39Å; R189-S197 VanDerWaalsContact O-CA 3.29Å; R189-S197 WeakPolarHBondContact O-CA 3.48Å; S197-N224 CarbonylContact O-C 3.54Å; S197-N224 WeakPolarHBondContact O-CA 3.42Å; S197-N224 WeakPolarHBondContact O-CB 3.38Å; S197-N224 PolarHBondContact O-N 3.47Å; S197-S225 PolarHBondContact O-N 2.77Å
198L94Very high90.5Very high1 Ų161.9 Ų61.91%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-110.2120.3166.4174.966.4000107.8R189 F191 V221 N223 V229 L328 I330 V344R189-L198 PolarHBondContact N-O 2.89Å; R189-L198 PolarHBondContact O-N 3.36Å; F191-L198 HydrophobicContact CE2-CB 3.74Å; F191-L198 HydrophobicContact CZ-CB 4.17Å; F191-L198 HydrophobicContact CZ-CD2 4.18Å; L198-V221 HydrophobicContact CD1-CG1 3.57Å; L198-N223 HydrophobicContact CD1-CB 3.59Å; L198-V229 HydrophobicContact CD1-CG2 4.21Å; L198-V229 HydrophobicContact CD2-CG2 4.06Å; L198-L328 HydrophobicContact CD1-CD1 4.46Å; L198-L328 HydrophobicContact CD2-CD1 3.98Å; L198-L328 HydrophobicContact CG-CD1 4.33Å; L198-I330 HydrophobicContact CD2-CD1 3.92Å; L198-I330 HydrophobicContact CD2-CG1 4.15Å; L198-V344 HydrophobicContact CD2-CG2 4.15Å
199H96.3Very high90.6Very high33 Ų3358 Ų5815%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-104.7131.2177.2-178.380.8000109.8E186 T187 T188 V221 T222E186-H199 IonicContact OE2-CE1 3.53Å; E186-H199 IonicContact OE2-NE2 4Å; T187-H199 WeakPolarHBondContact O-CA 3.26Å; T188-H199 PolarHBondContact OG1-ND1 3.44Å; H199-V221 WeakPolarHBondContact O-CA 3.46Å; H199-T222 PolarHBondContact N-O 3.1Å; H199-T222 PolarHBondContact O-N 2.65Å
200L97.6Very high90.9Very high0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-123.1123.4176.9167.563.6000108.3E186 T187 V219 V221 V326 L328 V344 V346E186-L200 CarbonylContact C-O 3.45Å; E186-L200 VanDerWaalsContact CA-O 3.26Å; E186-L200 WeakPolarHBondContact CA-O 2.98Å; T187-L200 HydrophobicContact CG2-CB 4.11Å; T187-L200 HydrophobicContact CG2-CD2 4.46Å; T187-L200 PolarHBondContact N-O 3.4Å; T187-L200 PolarHBondContact O-N 2.79Å; L200-V219 HydrophobicContact CD1-CG1 3.83Å; L200-V221 HydrophobicContact CD1-CG2 4.02Å; L200-V326 HydrophobicContact CD1-CG1 4.1Å; L200-V326 HydrophobicContact CD2-CG1 4.42Å; L200-L328 HydrophobicContact CB-CD1 3.96Å; L200-L328 HydrophobicContact CD1-CD1 4.08Å; L200-L328 HydrophobicContact CD1-CD2 4.18Å; L200-L328 HydrophobicContact CD1-CG 4.2Å; L200-L328 HydrophobicContact CD2-CD1 4.15Å; L200-L328 HydrophobicContact CD2-CG 3.98Å; L200-L328 HydrophobicContact CG-CD1 4.29Å; L200-V344 HydrophobicContact CB-CG1 4.14Å; L200-V344 HydrophobicContact CD2-CG1 3.98Å; L200-V346 HydrophobicContact CD2-CB 4.47Å; L200-V346 HydrophobicContact CD2-CG1 4.08Å; L200-V346 HydrophobicContact CD2-CG2 3.85Å; L200-V346 HydrophobicContact CG-CG1 4.39Å; L200-V346 HydrophobicContact CG-CG2 4.16Å
201E97.8Very high91.3Very high47 Ų4753.7 Ų53.722%0.2226%0.264CS..EExtended strand (participates in β ladder)trans-120.1137.4173.6-179.7-166.6162.700108M184 E186 H220M184-E201 HydrophobicContact CE-CG 3.85Å; M184-E201 WeakPolarHBondContact CE-OE1 3.39Å; E186-E201 HydrophobicContact CB-CB 4.33Å; E186-E201 HydrophobicContact CB-CG 4.45Å; E201-H220 HydrophobicContact CB-CB 4.17Å; E201-H220 PolarHBondContact N-O 2.93Å; E201-H220 PolarHBondContact O-N 2.81Å; E201-H220 VanDerWaalsContact O-O 3.09Å; E201-H220 IonicContact OE2-CE1 3.96Å; E201-H220 IonicContact OE2-CG 3.82Å; E201-H220 IonicContact OE2-ND1 2.94Å; E201-H220 PolarHBondContact OE2-ND1 2.89Å
202A98.2Very high91.9Very high1 Ų155.1 Ų55.11%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-139.4146.217300000110.4M184 V185 N218 V326 V346 L348M184-A202 WeakPolarHBondContact CA-O 3.46Å; V185-A202 PolarHBondContact N-O 2.89Å; V185-A202 PolarHBondContact O-N 3.04Å; A202-N218 CarbonylContact C-O 3.55Å; A202-N218 WeakPolarHBondContact CA-O 3.47Å; A202-V326 HydrophobicContact CB-CB 4.47Å; A202-V326 HydrophobicContact CB-CG2 3.95Å; A202-V346 HydrophobicContact CB-CG2 3.93Å; A202-L348 HydrophobicContact CB-CD1 3.73Å; A202-L348 WeakPolarHBondContact O-CD2 3.19Å
203S98.1Very high92.8Very high16 Ų1651.6 Ų51.611%0.11226%0.264CS..EExtended strand (participates in β ladder)trans-143153.7175.164.70000111.4P183 N218P183-S203 CarbonylContact O-C 3.55Å; P183-S203 VanDerWaalsContact O-CA 3.23Å; P183-S203 WeakPolarHBondContact O-CA 3.32Å; P183-S203 WeakPolarHBondContact O-CB 3.43Å; S203-N218 PolarHBondContact N-O 3.43Å; S203-N218 PolarHBondContact O-N 2.77Å; S203-N218 WeakPolarHBondContact OG-CB 3.36Å; S203-N218 PolarHBondContact OG-ND2 2.84Å
204L98.1Very high93.9Very high0 Ų045.2 Ų45.20%024%0.238CC..EExtended strand (participates in β ladder)trans-100.2157.9171-57.4-176000109.3Q182 P183 K206 Y209 I215 S216 V217 V324 L348 F350Q182-L204 WeakPolarHBondContact CG-O 3.43Å; Q182-L204 PolarHBondContact NE2-O 3.22Å; P183-L204 HydrophobicContact CB-CB 4.44Å; P183-L204 HydrophobicContact CB-CD1 4.29Å; P183-L204 HydrophobicContact CB-CG 4.37Å; P183-L204 HydrophobicContact CG-CB 4.38Å; P183-L204 HydrophobicContact CG-CD1 4.23Å; P183-L204 PolarHBondContact O-N 3.42Å; L204-K206 VanDerWaalsContact C-N 3.26Å; L204-K206 WeakPolarHBondContact CB-O 2.99Å; L204-K206 PolarHBondContact O-N 3.42Å; L204-Y209 HydrophobicContact CD1-CE2 4.39Å; L204-I215 HydrophobicContact CD2-CG2 4.16Å; L204-S216 WeakPolarHBondContact CA-O 2.96Å; L204-V217 HydrophobicContact CD2-CB 4.29Å; L204-V217 HydrophobicContact CD2-CG1 4.2Å; L204-V217 HydrophobicContact CD2-CG2 3.81Å; L204-V324 HydrophobicContact CD1-CG2 4.13Å; L204-V324 HydrophobicContact CD2-CB 4.12Å; L204-V324 HydrophobicContact CD2-CG1 4.32Å; L204-V324 HydrophobicContact CD2-CG2 3.81Å; L204-L348 HydrophobicContact CD1-CB 4.21Å; L204-L348 HydrophobicContact CG-CB 4.27Å; L204-L348 HydrophobicContact CG-CD2 4.21Å; L204-F350 HydrophobicContact CD1-CB 3.72Å; L204-F350 HydrophobicContact CD1-CD1 4.26Å; L204-F350 HydrophobicContact CD1-CG 4.25Å
205D95.6Very high94.9Very high73 Ų7344 Ų4439%0.3923%0.229SC..SBendtrans-69.9-23.4175.557.1-60.5000113.3Y209 S216D205-Y209 VanDerWaalsContact CG-OH 3.29Å; D205-Y209 PolarHBondContact N-OH 2.94Å; D205-Y209 PolarHBondContact OD1-OH 3.06Å; D205-S216 PolarHBondContact N-O 3.41Å; D205-S216 VanDerWaalsContact OD1-CB 3.27Å; D205-S216 WeakPolarHBondContact OD1-CB 3.45Å; D205-S216 PolarHBondContact OD1-N 3.25Å; D205-S216 VanDerWaalsContact OD1-N 3.15Å
206K95.1Very high95.7Very high48 Ų4837.2 Ų37.221%0.20920%0.195CC..  trans-159.6173.8177.358.1-177.6-177.41520111.6P183 L204 L208 Y209 E213P183-K206 VanDerWaalsContact CD-C 3.47Å; P183-K206 WeakPolarHBondContact CD-O 3.46Å; L204-K206 VanDerWaalsContact C-N 3.26Å; L204-K206 WeakPolarHBondContact CB-O 2.99Å; L204-K206 PolarHBondContact O-N 3.42Å; K206-L208 WeakPolarHBondContact CD-O 3.37Å; K206-L208 WeakPolarHBondContact CE-O 3.37Å; K206-L208 PolarHBondContact NZ-O 2.67Å; K206-Y209 HydrophobicContact CD-CD1 4.46Å; K206-Y209 HydrophobicContact CD-CE1 4.2Å; K206-Y209 HydrophobicContact CG-CD1 4.32Å; K206-Y209 HydrophobicContact CG-CD2 4.46Å; K206-Y209 HydrophobicContact CG-CE1 3.73Å; K206-Y209 HydrophobicContact CG-CE2 3.92Å; K206-Y209 PolarHBondContact N-OH 3.06Å; K206-Y209 VanDerWaalsContact O-CE2 3.26Å; K206-Y209 WeakPolarHBondContact O-CE2 3.37Å; K206-Y209 PolarHBondContact O-OH 2.79Å; K206-E213 IonicContact NZ-OE1 3.61Å; K206-E213 PolarHBondContact NZ-OE1 2.68Å; K206-E213 IonicContact NZ-OE2 2.65Å; K206-E213 PolarHBondContact NZ-OE2 3.1Å
207E95Very high96.2Very high64 Ų6431 Ų3130%0.29917%0.172SC..SBendtrans-87.5-37.8176.8-170.8-172.9-178.900113.2G180 P183 F350 V351G180-E207 WeakPolarHBondContact CA-OE2 3.39Å; G180-E207 PolarHBondContact N-OE2 3.47Å; P183-E207 HydrophobicContact CG-CB 4.08Å; P183-E207 HydrophobicContact CG-CG 4.25Å; E207-F350 WeakPolarHBondContact O-CA 3.26Å; E207-F350 WeakPolarHBondContact O-CB 3.36Å; E207-V351 HydrophobicContact CG-CG2 4.42Å; E207-V351 PolarHBondContact O-N 3.25Å
208L95.3Very high96.5Very high12 Ų1231.8 Ų31.86%0.06317%0.174CC..EExtended strand (participates in β ladder)trans-106.8122.6-171.5170.968.2000111A175 P176 K206 V351 M353A175-L208 HydrophobicContact CB-CD1 3.78Å; A175-L208 HydrophobicContact CB-CD2 3.68Å; A175-L208 HydrophobicContact CB-CG 4.25Å; P176-L208 HydrophobicContact CG-CD2 4.5Å; K206-L208 WeakPolarHBondContact CD-O 3.37Å; K206-L208 WeakPolarHBondContact CE-O 3.37Å; K206-L208 PolarHBondContact NZ-O 2.67Å; L208-V351 WeakPolarHBondContact CA-O 3.44Å; L208-V351 HydrophobicContact CD1-CB 4.02Å; L208-V351 HydrophobicContact CD1-CG1 3.58Å; L208-M353 HydrophobicContact CD1-CB 4.34Å; L208-M353 HydrophobicContact CD1-CG 4.47Å
209Y95.9Very high96.7Very high0 Ų031.8 Ų31.80%017%0.173CC..EExtended strand (participates in β ladder)trans-118.5150.6173.7-63.7-92.5000111.5L204 D205 K206 E213 I215 F350 V351 L352 M353L204-Y209 HydrophobicContact CD1-CE2 4.39Å; D205-Y209 VanDerWaalsContact CG-OH 3.29Å; D205-Y209 PolarHBondContact N-OH 2.94Å; D205-Y209 PolarHBondContact OD1-OH 3.06Å; K206-Y209 HydrophobicContact CD-CD1 4.46Å; K206-Y209 HydrophobicContact CD-CE1 4.2Å; K206-Y209 HydrophobicContact CG-CD1 4.32Å; K206-Y209 HydrophobicContact CG-CD2 4.46Å; K206-Y209 HydrophobicContact CG-CE1 3.73Å; K206-Y209 HydrophobicContact CG-CE2 3.92Å; K206-Y209 PolarHBondContact N-OH 3.06Å; K206-Y209 VanDerWaalsContact O-CE2 3.26Å; K206-Y209 WeakPolarHBondContact O-CE2 3.37Å; K206-Y209 PolarHBondContact O-OH 2.79Å; Y209-E213 WeakPolarHBondContact CA-OE2 3.38Å; Y209-E213 HydrophobicContact CD1-CG 4.49Å; Y209-I215 HydrophobicContact CD1-CB 4.39Å; Y209-I215 HydrophobicContact CD1-CG1 3.77Å; Y209-I215 HydrophobicContact CD2-CG1 4.23Å; Y209-I215 HydrophobicContact CE1-CB 4.13Å; Y209-I215 HydrophobicContact CE1-CG1 4.01Å; Y209-I215 HydrophobicContact CE1-CG2 4.14Å; Y209-I215 HydrophobicContact CE2-CG1 4.42Å; Y209-I215 HydrophobicContact CE2-CG2 4.09Å; Y209-I215 HydrophobicContact CG-CG1 3.89Å; Y209-F350 HydrophobicContact CD2-CB 4.39Å; Y209-F350 AromaticContact CD2-CD2 3.71Å; Y209-F350 HydrophobicContact CD2-CD2 3.71Å; Y209-F350 HydrophobicContact CD2-CE2 4.36Å; Y209-F350 HydrophobicContact CD2-CG 4.33Å; Y209-F350 HydrophobicContact CE2-CB 4.41Å; Y209-F350 HydrophobicContact CE2-CD2 4.37Å; Y209-V351 PolarHBondContact N-O 2.86Å; Y209-L352 WeakPolarHBondContact O-CA 3.31Å; Y209-M353 PolarHBondContact O-N 2.59Å
210Y95.4Very high96.7Very high84 Ų8433 Ų3333%0.32918%0.179SC..EExtended strand (participates in β ladder)trans-92153.4172.3-59.8-55.4000111.9A175 G212 E213 M353 P355A175-Y210 HydrophobicContact CB-CD1 4.43Å; A175-Y210 HydrophobicContact CB-CE1 3.62Å; Y210-G212 PolarHBondContact O-N 3.28Å; Y210-E213 PolarHBondContact N-OE2 2.7Å; Y210-E213 WeakPolarHBondContact O-CB 3.5Å; Y210-E213 PolarHBondContact O-N 3.41Å; Y210-M353 VanDerWaalsContact CA-O 3.27Å; Y210-M353 WeakPolarHBondContact CA-O 3.45Å; Y210-P355 HydrophobicContact CD1-CB 3.85Å; Y210-P355 HydrophobicContact CD1-CG 4.36Å; Y210-P355 VanDerWaalsContact CE1-CA 3.49Å; Y210-P355 HydrophobicContact CE1-CB 3.73Å; Y210-P355 HydrophobicContact CE2-CB 4.45Å; Y210-P355 HydrophobicContact CG-CB 4.27Å
211H95Very high96.7Very high31 Ų3133 Ų3314%0.14418%0.179CC..THydrogen-bonded Turntrans-56130.7171.5-70.1-69.6000110.9E213 L301 S303 M353 H354H211-E213 VanDerWaalsContact C-N 3.27Å; H211-E213 PolarHBondContact O-N 2.7Å; H211-L301 PolarHBondContact CE1-O 3.44Å; H211-L301 PolarHBondContact NE2-O 2.7Å; H211-S303 PolarHBondContact NE2-OG 2.99Å; H211-S303 VanDerWaalsContact NE2-OG 3.15Å; H211-M353 PolarHBondContact CD2-O 3.07Å; H211-M353 PolarHBondContact N-O 3.19Å; H211-H354 AromaticContact CD2-CD2 3.69Å; H211-H354 AromaticContact CD2-CE1 3.37Å; H211-H354 PolarHBondContact CD2-CE1 3.25Å; H211-H354 AromaticContact CD2-CG 3.68Å; H211-H354 AromaticContact CD2-ND1 3.49Å; H211-H354 PolarHBondContact CD2-ND1 2.89Å; H211-H354 AromaticContact CD2-NE2 3.5Å; H211-H354 PolarHBondContact CD2-NE2 3.1Å; H211-H354 AromaticContact CG-CE1 4Å; H211-H354 AromaticContact NE2-CD2 4Å; H211-H354 AromaticContact NE2-NE2 3.85Å
212G94Very high96.7Very high48 Ų4832.2 Ų32.250%0.49518%0.177SC..THydrogen-bonded Turntrans83.9-9.1-175.700000114.9Y210 T276Y210-G212 PolarHBondContact O-N 3.28Å; G212-T276 WeakPolarHBondContact O-CG2 3.38Å
213E95.7Very high96.6Very high58 Ų5832.2 Ų32.227%0.27118%0.177SC..PPolyproline II helixtrans-74.9140178-160.7176.6-155.300111.5K206 Y209 Y210 H211K206-E213 IonicContact NZ-OE1 3.61Å; K206-E213 PolarHBondContact NZ-OE1 2.68Å; K206-E213 IonicContact NZ-OE2 2.65Å; K206-E213 PolarHBondContact NZ-OE2 3.1Å; Y209-E213 WeakPolarHBondContact CA-OE2 3.38Å; Y209-E213 HydrophobicContact CD1-CG 4.49Å; Y210-E213 PolarHBondContact N-OE2 2.7Å; Y210-E213 WeakPolarHBondContact O-CB 3.5Å; Y210-E213 PolarHBondContact O-N 3.41Å; H211-E213 VanDerWaalsContact C-N 3.27Å; H211-E213 PolarHBondContact O-N 2.7Å
214P97.4Very high96.4Very high69 Ų6935.4 Ų35.445%0.44819%0.193SC..PPolyproline II helixtrans-70.7136170.4-16.230.6000112T274P214-T274 HydrophobicContact CB-CG2 3.53Å
215I97.8Very high96Very high0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-98.8123.3175.5-58.3174.8000108.7L204 Y209 V217 V236 T274 L275 P277 V324 F350L204-I215 HydrophobicContact CD2-CG2 4.16Å; Y209-I215 HydrophobicContact CD1-CB 4.39Å; Y209-I215 HydrophobicContact CD1-CG1 3.77Å; Y209-I215 HydrophobicContact CD2-CG1 4.23Å; Y209-I215 HydrophobicContact CE1-CB 4.13Å; Y209-I215 HydrophobicContact CE1-CG1 4.01Å; Y209-I215 HydrophobicContact CE1-CG2 4.14Å; Y209-I215 HydrophobicContact CE2-CG1 4.42Å; Y209-I215 HydrophobicContact CE2-CG2 4.09Å; Y209-I215 HydrophobicContact CG-CG1 3.89Å; I215-V217 HydrophobicContact CG2-CG2 4.12Å; I215-V236 HydrophobicContact CD1-CG1 4.5Å; I215-V236 HydrophobicContact CD1-CG2 4.18Å; I215-T274 VanDerWaalsContact O-CA 3.32Å; I215-T274 WeakPolarHBondContact O-CA 3.42Å; I215-L275 WeakPolarHBondContact CB-O 3.29Å; I215-L275 PolarHBondContact N-O 3.32Å; I215-L275 PolarHBondContact O-N 2.87Å; I215-P277 HydrophobicContact CD1-CG 3.82Å; I215-V324 HydrophobicContact CG2-CG2 4.27Å; I215-F350 HydrophobicContact CD1-CD2 4.38Å; I215-F350 HydrophobicContact CD1-CE1 4.27Å; I215-F350 HydrophobicContact CD1-CE2 3.61Å; I215-F350 HydrophobicContact CD1-CZ 3.54Å
216S97.7Very high95.6Very high34 Ų3435.9 Ų35.924%0.23820%0.199CC..EExtended strand (participates in β ladder)trans-95124.2175-53.80000110.6L204 D205L204-S216 WeakPolarHBondContact CA-O 2.96Å; D205-S216 PolarHBondContact N-O 3.41Å; D205-S216 VanDerWaalsContact OD1-CB 3.27Å; D205-S216 WeakPolarHBondContact OD1-CB 3.45Å; D205-S216 PolarHBondContact OD1-N 3.25Å; D205-S216 VanDerWaalsContact OD1-N 3.15Å
217V98.3Very high95.2Very high0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-116.8106.3-177.3-171.40000108.5L204 I215 V219 I234 V272 Y273 L275 V324 V326L204-V217 HydrophobicContact CD2-CB 4.29Å; L204-V217 HydrophobicContact CD2-CG1 4.2Å; L204-V217 HydrophobicContact CD2-CG2 3.81Å; I215-V217 HydrophobicContact CG2-CG2 4.12Å; V217-V219 HydrophobicContact CG1-CG2 4.06Å; V217-I234 HydrophobicContact CB-CG2 4.48Å; V217-I234 HydrophobicContact CG1-CG2 4.31Å; V217-I234 HydrophobicContact CG2-CG2 4.27Å; V217-V272 WeakPolarHBondContact O-CA 3.16Å; V217-Y273 PolarHBondContact N-O 3.31Å; V217-Y273 PolarHBondContact O-N 2.86Å; V217-L275 HydrophobicContact CG2-CD1 3.85Å; V217-V324 HydrophobicContact CG1-CG1 3.89Å; V217-V324 HydrophobicContact CG2-CG1 3.77Å; V217-V324 HydrophobicContact CG2-CG2 4.42Å; V217-V326 HydrophobicContact CG1-CG2 3.91Å
218N97.9Very high95Very high49 Ų4934.5 Ų34.526%0.26220%0.196SC..EExtended strand (participates in β ladder)trans-79.5128.3172.9-52.7-55.1000108.5A202 S203 V272A202-N218 CarbonylContact C-O 3.55Å; A202-N218 WeakPolarHBondContact CA-O 3.47Å; S203-N218 PolarHBondContact N-O 3.43Å; S203-N218 PolarHBondContact O-N 2.77Å; S203-N218 WeakPolarHBondContact OG-CB 3.36Å; S203-N218 PolarHBondContact OG-ND2 2.84Å; N218-V272 WeakPolarHBondContact OD1-CG2 3.49Å
219V98.1Very high95Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-125.4121177.5-177.80000109.2L200 V217 V221 L232 C270 K271 Y273 V326L200-V219 HydrophobicContact CD1-CG1 3.83Å; V217-V219 HydrophobicContact CG1-CG2 4.06Å; V219-V221 HydrophobicContact CG1-CG2 4.08Å; V219-L232 HydrophobicContact CG1-CD2 3.8Å; V219-C270 WeakPolarHBondContact O-CA 3.13Å; V219-K271 PolarHBondContact N-O 2.83Å; V219-K271 PolarHBondContact O-N 3.36Å; V219-Y273 HydrophobicContact CB-CD2 4.4Å; V219-Y273 HydrophobicContact CB-CE2 4.12Å; V219-Y273 HydrophobicContact CG2-CD2 3.87Å; V219-Y273 HydrophobicContact CG2-CE2 3.99Å; V219-V326 HydrophobicContact CG1-CG1 3.92Å; V219-V326 HydrophobicContact CG2-CG1 3.9Å; V219-V326 HydrophobicContact CG2-CG2 4.01Å
220H97.9Very high94.9Very high59 Ų5938.7 Ų38.727%0.27321%0.214SC..EExtended strand (participates in β ladder)trans-118.8127.9176.9177.7-133.8000109.6E201 F269E201-H220 HydrophobicContact CB-CB 4.17Å; E201-H220 PolarHBondContact N-O 2.93Å; E201-H220 PolarHBondContact O-N 2.81Å; E201-H220 VanDerWaalsContact O-O 3.09Å; E201-H220 IonicContact OE2-CE1 3.96Å; E201-H220 IonicContact OE2-CG 3.82Å; E201-H220 IonicContact OE2-ND1 2.94Å; E201-H220 PolarHBondContact OE2-ND1 2.89Å; H220-F269 CarbonylContact C-O 3.57Å; H220-F269 WeakPolarHBondContact CA-O 3.05Å; H220-F269 PolarHBondContact CD2-O 3.17Å
221V97.6Very high94.8Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-127121.7-177.7-176.20000108.5L198 H199 L200 V219 V263 T268 F269 L328L198-V221 HydrophobicContact CD1-CG1 3.57Å; H199-V221 WeakPolarHBondContact O-CA 3.46Å; L200-V221 HydrophobicContact CD1-CG2 4.02Å; V219-V221 HydrophobicContact CG1-CG2 4.08Å; V221-V263 HydrophobicContact CB-CG2 4.43Å; V221-V263 HydrophobicContact CG1-CG1 4.18Å; V221-V263 HydrophobicContact CG1-CG2 4.37Å; V221-T268 CarbonylContact O-C 3.5Å; V221-T268 VanDerWaalsContact O-CA 3.26Å; V221-T268 WeakPolarHBondContact O-CA 3.43Å; V221-F269 HydrophobicContact CB-CB 4.3Å; V221-F269 HydrophobicContact CG2-CD1 4.34Å; V221-F269 PolarHBondContact N-O 2.81Å; V221-F269 PolarHBondContact O-N 3.01Å; V221-L328 HydrophobicContact CG1-CD1 3.92Å; V221-L328 HydrophobicContact CG2-CD1 3.97Å; V221-L328 HydrophobicContact CG2-CD2 3.92Å
222T97Very high94.9Very high30 Ų3037.6 Ų37.618%0.18421%0.208CC..EExtended strand (participates in β ladder)trans-108.1104.5169.6-64.30000108.5H199 T268H199-T222 PolarHBondContact N-O 3.1Å; H199-T222 PolarHBondContact O-N 2.65Å; T222-T268 HydrophobicContact CG2-CG2 4.12Å
223N95.3Very high95.1Very high1 Ų137.7 Ų37.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-100.188.6-176.8-173.210.8000111.2L198 S225 K227 V263 S264 S266 S267L198-N223 HydrophobicContact CD1-CB 3.59Å; N223-S225 VanDerWaalsContact C-N 3.3Å; N223-S225 WeakPolarHBondContact OD1-CB 3.1Å; N223-S225 PolarHBondContact OD1-N 3.48Å; N223-S225 VanDerWaalsContact OD1-N 3.15Å; N223-S225 PolarHBondContact OD1-OG 2.84Å; N223-K227 PolarHBondContact ND2-O 2.76Å; N223-V263 HydrophobicContact CB-CG1 3.76Å; N223-V263 PolarHBondContact ND2-O 2.86Å; N223-S264 PolarHBondContact ND2-O 2.83Å; N223-S266 CarbonylContact O-C 3.54Å; N223-S266 WeakPolarHBondContact O-CA 3.24Å; N223-S266 PolarHBondContact O-N 2.78Å; N223-S267 WeakPolarHBondContact CA-O 3.41Å; N223-S267 WeakPolarHBondContact CB-O 3.1Å; N223-S267 PolarHBondContact N-O 2.86Å; N223-S267 PolarHBondContact O-N 2.56Å; N223-S267 VanDerWaalsContact O-N 3.17Å
224N93.6Very high95.2Very high83 Ų8334.9 Ų34.944%0.44418%0.181SC..  trans-84.5-9.6171-66.1-37.5000112.3R196 S197R196-N224 VanDerWaalsContact CB-O 3.29Å; R196-N224 WeakPolarHBondContact CB-O 3.5Å; R196-N224 WeakPolarHBondContact CD-O 3.47Å; S197-N224 CarbonylContact O-C 3.54Å; S197-N224 WeakPolarHBondContact O-CA 3.42Å; S197-N224 WeakPolarHBondContact O-CB 3.38Å; S197-N224 PolarHBondContact O-N 3.47Å
225S89.6Confident95.2Very high0 Ų032 Ų320%016%0.162CC..SBendtrans-68.5168.4-177.885.30000112.9S197 N223 K227 S265S197-S225 PolarHBondContact O-N 2.77Å; N223-S225 VanDerWaalsContact C-N 3.3Å; N223-S225 WeakPolarHBondContact OD1-CB 3.1Å; N223-S225 PolarHBondContact OD1-N 3.48Å; N223-S225 VanDerWaalsContact OD1-N 3.15Å; N223-S225 PolarHBondContact OD1-OG 2.84Å; S225-K227 PolarHBondContact O-N 2.93Å; S225-K227 PolarHBondContact OG-N 2.71Å; S225-K227 VanDerWaalsContact OG-N 3.11Å; S225-K227 PolarHBondContact OG-O 2.86Å; S225-S265 VanDerWaalsContact O-CB 3.25Å; S225-S265 WeakPolarHBondContact O-CB 3.36Å
226T87.1Confident95.2Very high84 Ų8432 Ų3252%0.51516%0.162SC..SBendtrans-81.3-0.8171.955.90000113.1
227K88Confident95.2Very high37 Ų3733.3 Ų33.316%0.16116%0.162CC..SBendtrans-97.6156.2-175.5-55.9-67.7173.3156.70110.8F191 N223 S225 I330 S337 E341F191-K227 HydrophobicContact CD1-CG 4.28Å; F191-K227 HydrophobicContact CD2-CG 4.44Å; F191-K227 HydrophobicContact CE1-CG 4.35Å; F191-K227 HydrophobicContact CE2-CG 4.5Å; F191-K227 HydrophobicContact CG-CG 4.33Å; F191-K227 HydrophobicContact CZ-CG 4.46Å; N223-K227 PolarHBondContact ND2-O 2.76Å; S225-K227 PolarHBondContact O-N 2.93Å; S225-K227 PolarHBondContact OG-N 2.71Å; S225-K227 VanDerWaalsContact OG-N 3.11Å; S225-K227 PolarHBondContact OG-O 2.86Å; K227-I330 HydrophobicContact CB-CG2 3.81Å; K227-I330 HydrophobicContact CG-CG2 4.3Å; K227-S337 PolarHBondContact NZ-OG 2.62Å; K227-E341 WeakPolarHBondContact CE-OE1 3.23Å; K227-E341 VanDerWaalsContact NZ-CD 3.27Å; K227-E341 IonicContact NZ-OE1 3.77Å; K227-E341 PolarHBondContact NZ-OE1 2.94Å; K227-E341 IonicContact NZ-OE2 3.59Å; K227-E341 PolarHBondContact NZ-OE2 2.91Å
228T91.1Very high95.2Very high46 Ų4633.3 Ų33.328%0.28216%0.162SC..PPolyproline II helixtrans-103.4133.4173.1-56.20000109.9V263 S331T228-V263 WeakPolarHBondContact CA-O 3.09Å; T228-S331 VanDerWaalsContact O-CB 3.29Å; T228-S331 WeakPolarHBondContact O-CB 3.48Å; T228-S331 PolarHBondContact O-N 3.2Å
229V94Very high95Very high1 Ų131.4 Ų31.41%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-78.1119.2165.6-178.70000107.7L198 L232 Q262 V263 L328L198-V229 HydrophobicContact CD1-CG2 4.21Å; L198-V229 HydrophobicContact CD2-CG2 4.06Å; V229-L232 HydrophobicContact CG1-CD1 4.19Å; V229-Q262 VanDerWaalsContact O-CA 3.31Å; V229-Q262 WeakPolarHBondContact O-CA 3.37Å; V229-V263 HydrophobicContact CB-CB 3.87Å; V229-V263 HydrophobicContact CB-CG2 4.15Å; V229-V263 HydrophobicContact CG2-CB 4.07Å; V229-V263 PolarHBondContact N-O 2.96Å; V229-V263 PolarHBondContact O-N 3.19Å; V229-L328 HydrophobicContact CG1-CB 3.98Å; V229-L328 HydrophobicContact CG1-CD2 4.3Å; V229-L328 HydrophobicContact CG2-CB 4.48Å; V229-L328 HydrophobicContact CG2-CD1 4.39Å
230K93.6Very high94.8Very high99 Ų9931.4 Ų31.443%0.4315%0.151SC..EExtended strand (participates in β ladder)trans-78.4-36.3-176.1-75.6-174.5167.41750113.3Q262 V329 S331K230-Q262 WeakPolarHBondContact O-CG 3.42Å; K230-V329 PolarHBondContact N-O 2.99Å; K230-S331 WeakPolarHBondContact CE-OG 3.26Å
231R94.5Very high94.5Very high91 Ų9130.9 Ų30.934%0.34315%0.151SC..EExtended strand (participates in β ladder)trans-167.7160.2-175.858.2-176.5176.4177.55.9110.6E258 A259 V329R231-E258 VanDerWaalsContact CD-OE1 3.27Å; R231-E258 WeakPolarHBondContact CD-OE1 3.39Å; R231-E258 IonicContact CZ-OE1 3.07Å; R231-E258 IonicContact NE-OE1 3.99Å; R231-E258 PolarHBondContact NE-OE1 2.71Å; R231-E258 IonicContact NH1-OE1 2.69Å; R231-E258 PolarHBondContact NH1-OE1 2.89Å; R231-E258 IonicContact NH2-OE1 3.29Å; R231-A259 WeakPolarHBondContact CA-O 3.39Å; R231-A259 VanDerWaalsContact CB-O 3.26Å; R231-A259 WeakPolarHBondContact CB-O 3.16Å; R231-V329 HydrophobicContact CG-CB 3.7Å; R231-V329 HydrophobicContact CG-CG1 4.27Å; R231-V329 HydrophobicContact CG-CG2 3.87Å; R231-V329 PolarHBondContact O-N 2.82Å
232L96.8Very high94Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-110.9137.3175.7-73.185.3000109.9V219 V229 I234 A259 D261 F269 Y273 L328V219-L232 HydrophobicContact CG1-CD2 3.8Å; V229-L232 HydrophobicContact CG1-CD1 4.19Å; L232-I234 HydrophobicContact CB-CD1 4.12Å; L232-A259 PolarHBondContact N-O 2.79Å; L232-A259 PolarHBondContact O-N 2.92Å; L232-D261 HydrophobicContact CD1-CB 3.99Å; L232-D261 WeakPolarHBondContact CD1-O 3.22Å; L232-F269 HydrophobicContact CD2-CE1 4.05Å; L232-Y273 HydrophobicContact CD2-CE2 4.38Å; L232-L328 HydrophobicContact CD1-CD2 4.39Å; L232-L328 HydrophobicContact CD2-CD2 3.57Å; L232-L328 HydrophobicContact CG-CD2 3.56Å
233K97.4Very high93.3Very high50 Ų5030.5 Ų30.522%0.21715%0.149CC..EExtended strand (participates in β ladder)trans-118.3119.7171.6-64.3179.3-174.7-105.80109E258 K327 V329K233-E258 WeakPolarHBondContact CE-OE1 3.41Å; K233-E258 HydrophobicContact CG-CB 4.49Å; K233-E258 HydrophobicContact CG-CG 4.02Å; K233-E258 IonicContact NZ-OE1 3.16Å; K233-E258 PolarHBondContact NZ-OE1 2.9Å; K233-E258 IonicContact NZ-OE2 2.65Å; K233-E258 PolarHBondContact NZ-OE2 3.32Å; K233-K327 HydrophobicContact CB-CB 4.34Å; K233-K327 PolarHBondContact N-O 2.85Å; K233-K327 PolarHBondContact O-N 2.96Å; K233-V329 HydrophobicContact CD-CG2 4.18Å; K233-V329 HydrophobicContact CG-CG2 4.35Å
234I97.8Very high92.4Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-112.6127.5175.7-55.585.6000107.5V217 L232 Q256 V257 Y273 L275 V324 K325 V326V217-I234 HydrophobicContact CB-CG2 4.48Å; V217-I234 HydrophobicContact CG1-CG2 4.31Å; V217-I234 HydrophobicContact CG2-CG2 4.27Å; L232-I234 HydrophobicContact CB-CD1 4.12Å; I234-Q256 CarbonylContact O-C 3.6Å; I234-Q256 WeakPolarHBondContact O-CA 3.24Å; I234-V257 PolarHBondContact N-O 2.92Å; I234-V257 PolarHBondContact O-N 3.47Å; I234-V257 VanDerWaalsContact O-O 3.14Å; I234-Y273 HydrophobicContact CD1-CD1 3.85Å; I234-Y273 HydrophobicContact CD1-CD2 3.75Å; I234-Y273 HydrophobicContact CD1-CE1 3.89Å; I234-Y273 HydrophobicContact CD1-CE2 3.79Å; I234-Y273 HydrophobicContact CD1-CG 3.76Å; I234-Y273 HydrophobicContact CG1-CD2 4.07Å; I234-Y273 HydrophobicContact CG1-CE2 4.46Å; I234-Y273 HydrophobicContact CG1-CG 4.18Å; I234-L275 HydrophobicContact CB-CD1 4.23Å; I234-L275 HydrophobicContact CB-CD2 4.48Å; I234-L275 HydrophobicContact CG2-CD1 3.49Å; I234-L275 VanDerWaalsContact CG2-CD1 3.49Å; I234-L275 HydrophobicContact CG2-CD2 4.08Å; I234-L275 HydrophobicContact CG2-CG 4.47Å; I234-V324 HydrophobicContact CG2-CG1 4.02Å; I234-K325 CarbonylContact C-O 3.53Å; I234-K325 WeakPolarHBondContact CA-O 3.29Å; I234-V326 HydrophobicContact CG1-CG2 4.46Å; I234-V326 HydrophobicContact CG2-CG2 4.47Å
235S97.7Very high91.2Very high7 Ų733 Ų335%0.04916%0.156CC..EExtended strand (participates in β ladder)trans-138.4132.9178.468.20000111.7R237 A255 K325S235-R237 PolarHBondContact OG-NE 2.9Å; S235-A255 CarbonylContact C-O 3.48Å; S235-A255 VanDerWaalsContact CA-O 3.26Å; S235-A255 WeakPolarHBondContact CA-O 3.38Å; S235-K325 PolarHBondContact N-O 3.25Å; S235-K325 PolarHBondContact O-N 3.14Å
236V98.2Very high90.1Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-83.4127.9164.7-174.90000107.9I215 P253 V254 A255 L275 P277 Y322 V324 F350I215-V236 HydrophobicContact CD1-CG1 4.5Å; I215-V236 HydrophobicContact CD1-CG2 4.18Å; V236-P253 CarbonylContact O-C 3.59Å; V236-P253 WeakPolarHBondContact O-CA 3.26Å; V236-V254 HydrophobicContact CB-CG2 3.86Å; V236-V254 HydrophobicContact CG1-CG2 3.49Å; V236-V254 VanDerWaalsContact CG1-CG2 3.49Å; V236-V254 WeakPolarHBondContact O-CG2 3.32Å; V236-V254 PolarHBondContact O-N 3.01Å; V236-A255 HydrophobicContact CB-CB 4.08Å; V236-A255 HydrophobicContact CG2-CB 4.02Å; V236-A255 PolarHBondContact N-O 2.8Å; V236-A255 PolarHBondContact O-N 3.4Å; V236-L275 HydrophobicContact CG2-CB 3.92Å; V236-L275 HydrophobicContact CG2-CD2 4.13Å; V236-P277 HydrophobicContact CG1-CB 4.17Å; V236-P277 HydrophobicContact CG1-CG 4.39Å; V236-Y322 HydrophobicContact CG1-CD1 4.44Å; V236-V324 HydrophobicContact CG2-CG2 4.37Å; V236-F350 HydrophobicContact CG1-CE1 3.81Å; V236-F350 HydrophobicContact CG1-CZ 3.55Å
237R97.2Very high89.7Confident62 Ų6237.2 Ų37.223%0.23418%0.184CC..EExtended strand (participates in β ladder)trans-123.4130.2-177.8-63.2-179.9177.2-161.2-15.8110.2S235 Y239 C252 Y322 R323 K325S235-R237 PolarHBondContact OG-NE 2.9Å; R237-Y239 HydrophobicContact CB-CD2 4.46Å; R237-Y239 HydrophobicContact CB-CE2 3.86Å; R237-C252 CarbonylContact C-O 3.53Å; R237-C252 WeakPolarHBondContact CA-O 3.35Å; R237-Y322 WeakPolarHBondContact O-CA 3.46Å; R237-R323 PolarHBondContact N-O 3.16Å; R237-R323 PolarHBondContact O-N 2.74Å; R237-K325 VanDerWaalsContact NH1-CD 3.26Å
238Q97.9Very high89.4Confident1 Ų136.8 Ų36.81%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-90.6132167.3-172-167.770.500108.6K251 C252 V254 A289 V320 Y322Q238-K251 WeakPolarHBondContact O-CA 3.43Å; Q238-C252 PolarHBondContact N-O 3.1Å; Q238-C252 PolarHBondContact O-N 2.82Å; Q238-V254 HydrophobicContact CB-CG1 3.86Å; Q238-A289 PolarHBondContact NE2-O 3.28Å; Q238-V320 HydrophobicContact CG-CG1 3.9Å; Q238-Y322 HydrophobicContact CB-CD1 4.01Å; Q238-Y322 HydrophobicContact CB-CE1 3.63Å; Q238-Y322 HydrophobicContact CG-CD1 4.29Å; Q238-Y322 HydrophobicContact CG-CE1 3.68Å; Q238-Y322 HydrophobicContact CG-CE2 4.35Å; Q238-Y322 PolarHBondContact NE2-OH 2.83Å
239Y95.5Very high89.2Confident8 Ų840.4 Ų40.43%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-110.9129.7170.8-65.3-98.7000107.7R237 Y250 K251 V320 S321 R323 E347R237-Y239 HydrophobicContact CB-CD2 4.46Å; R237-Y239 HydrophobicContact CB-CE2 3.86Å; Y239-Y250 CarbonylContact C-O 3.45Å; Y239-Y250 WeakPolarHBondContact CA-O 3.49Å; Y239-K251 HydrophobicContact CD1-CB 4.38Å; Y239-K251 HydrophobicContact CD1-CD 4.34Å; Y239-K251 HydrophobicContact CD1-CG 4.14Å; Y239-K251 HydrophobicContact CE1-CB 4.42Å; Y239-K251 HydrophobicContact CE1-CD 3.59Å; Y239-K251 HydrophobicContact CE1-CG 3.79Å; Y239-K251 WeakPolarHBondContact OH-CE 3.31Å; Y239-K251 PolarHBondContact OH-NZ 3.09Å; Y239-V320 WeakPolarHBondContact O-CA 3.21Å; Y239-S321 PolarHBondContact N-O 3.26Å; Y239-S321 PolarHBondContact O-N 3.22Å; Y239-R323 HydrophobicContact CD2-CG 4.17Å; Y239-R323 HydrophobicContact CE2-CB 3.92Å; Y239-R323 HydrophobicContact CE2-CG 3.76Å; Y239-E347 PolarHBondContact OH-OE1 3.42Å; Y239-E347 PolarHBondContact OH-OE2 3.4Å
240A93.9Very high89Confident0 Ų041.9 Ų41.90%021%0.207CC..EExtended strand (participates in β ladder)trans-124.7108.3174.200000109.2L130 Q249 Y250 A289 I318 L319L130-A240 HydrophobicContact CD2-CB 3.72Å; A240-Q249 WeakPolarHBondContact O-CA 3.32Å; A240-Y250 PolarHBondContact N-O 3.12Å; A240-Y250 PolarHBondContact O-N 2.96Å; A240-A289 HydrophobicContact CB-CB 3.95Å; A240-I318 HydrophobicContact CB-CG2 4Å; A240-L319 CarbonylContact C-O 3.56Å; A240-L319 WeakPolarHBondContact CA-O 3.04Å
241D90.7Very high89Confident48 Ų4841.4 Ų41.426%0.25721%0.205SC..EExtended strand (participates in β ladder)trans-97.3110.6-179.7-63.2-47.2000109.6C243 Q249 I318 L319D241-C243 PolarHBondContact O-N 2.82Å; D241-C243 PolarHBondContact O-SG 2.95Å; D241-Q249 WeakPolarHBondContact OD1-CB 3.46Å; D241-Q249 WeakPolarHBondContact OD1-CG 3.35Å; D241-Q249 PolarHBondContact OD1-NE2 2.98Å; D241-I318 WeakPolarHBondContact O-CA 3.35Å; D241-L319 HydrophobicContact CB-CB 4.29Å; D241-L319 PolarHBondContact N-O 2.91Å; D241-L319 PolarHBondContact O-N 3.16Å
242I87.8Confident89Confident2 Ų237.6 Ų37.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-76.5117.2171.4-56.9-177.6000107.7F62 Y64 L69 L130 T247 A248 Y250 I318F62-I242 HydrophobicContact CE2-CG2 4.27Å; F62-I242 HydrophobicContact CZ-CG2 3.72Å; Y64-I242 HydrophobicContact CE1-CG2 4.47Å; L69-I242 HydrophobicContact CD1-CD1 3.58Å; L69-I242 HydrophobicContact CD2-CD1 4.21Å; L130-I242 HydrophobicContact CD1-CD1 3.55Å; L130-I242 HydrophobicContact CD1-CG1 3.89Å; I242-T247 WeakPolarHBondContact O-CA 3.44Å; I242-A248 HydrophobicContact CD1-CB 4.3Å; I242-A248 PolarHBondContact N-O 3.37Å; I242-Y250 HydrophobicContact CD1-CD2 4.39Å; I242-Y250 HydrophobicContact CD1-CE2 3.85Å; I242-I318 HydrophobicContact CG1-CG1 4.5Å
243C82.4Confident88.9Confident21 Ų2139.8 Ų39.814%0.14221%0.206CC..  trans-101.616.3-173.9-61.90000113.3D241 K313 E314 G317 L319D241-C243 PolarHBondContact O-N 2.82Å; D241-C243 PolarHBondContact O-SG 2.95Å; C243-K313 WeakPolarHBondContact CB-O 3.29Å; C243-E314 WeakPolarHBondContact O-CA 3.11Å; C243-G317 PolarHBondContact N-O 2.77Å; C243-L319 VanDerWaalsContact SG-CD1 3.6Å
244L76Confident88.8Confident1 Ų137.5 Ų37.51%0.00520%0.197CC..SBendtrans-128.8126.2-163.3-133149.1000109.7F62 Y64 K78 L80 S246 E314F62-L244 HydrophobicContact CB-CD1 4.25Å; F62-L244 HydrophobicContact CD2-CB 4.46Å; F62-L244 HydrophobicContact CD2-CD1 3.87Å; F62-L244 HydrophobicContact CE2-CB 4.38Å; F62-L244 HydrophobicContact CG-CD1 4.13Å; Y64-L244 WeakPolarHBondContact CE1-O 3.36Å; Y64-L244 WeakPolarHBondContact OH-CB 3.2Å; Y64-L244 WeakPolarHBondContact OH-CD2 3.12Å; Y64-L244 PolarHBondContact OH-O 2.83Å; K78-L244 HydrophobicContact CD-CD2 3.39Å; L80-L244 HydrophobicContact CD1-CD1 4.35Å; L80-L244 HydrophobicContact CD2-CD1 3.78Å; L80-L244 HydrophobicContact CD2-CD2 4.42Å; L244-S246 CarbonylContact O-C 3.48Å; L244-S246 PolarHBondContact O-N 2.87Å; L244-E314 WeakPolarHBondContact CD1-O 3.4Å; L244-E314 VanDerWaalsContact CG-O 3.24Å; L244-E314 WeakPolarHBondContact CG-O 3.39Å
245F67.7Low88.8Confident134 Ų13438.4 Ų38.459%0.58820%0.204SC*.SBendtrans48.3-61.6-175.5-66.3-59.6000117.1Y64 F76 K78Y64-F245 AromaticContact CE2-CD2 3.94Å; Y64-F245 HydrophobicContact CE2-CD2 3.94Å; Y64-F245 AromaticContact CZ-CD2 3.8Å; Y64-F245 WeakPolarHBondContact OH-CB 3.47Å; Y64-F245 WeakPolarHBondContact OH-CD2 3.48Å; Y64-F245 PolarHBondContact OH-N 3.46Å; F76-F245 HydrophobicContact CD1-CD2 4.39Å; F76-F245 HydrophobicContact CD1-CE2 4.31Å; F76-F245 AromaticContact CE1-CD2 3.88Å; F76-F245 HydrophobicContact CE1-CD2 3.88Å; F76-F245 AromaticContact CE1-CE2 3.39Å; F76-F245 HydrophobicContact CE1-CE2 3.39Å; F76-F245 HydrophobicContact CE1-CZ 4.33Å; F76-F245 HydrophobicContact CZ-CD2 4.32Å; F76-F245 AromaticContact CZ-CE2 3.67Å; F76-F245 HydrophobicContact CZ-CE2 3.67Å; F76-F245 HydrophobicContact CZ-CZ 4.2Å; K78-F245 HydrophobicContact CB-CE2 4.24Å; K78-F245 HydrophobicContact CD-CD2 4.35Å; K78-F245 HydrophobicContact CD-CE2 3.39Å; K78-F245 HydrophobicContact CD-CZ 3.72Å; K78-F245 VanDerWaalsContact CE-CZ 3.42Å; K78-F245 HydrophobicContact CG-CE2 3.88Å; K78-F245 HydrophobicContact CG-CZ 4.32Å; K78-F245 VanDerWaalsContact NZ-CZ 3.31Å
246S67.5Low88.8Confident51 Ų5143.1 Ų43.136%0.35723%0.225SC..SBendtrans-110.6113.4172-175.90000108.8L244 A248L244-S246 CarbonylContact O-C 3.48Å; L244-S246 PolarHBondContact O-N 2.87Å; S246-A248 PolarHBondContact O-N 3Å
247T77.2Confident88.7Confident123 Ų12345.4 Ų45.476%0.75524%0.239SC*.  trans-74.8117.2175.8550000109.7I242I242-T247 WeakPolarHBondContact O-CA 3.44Å
248A82.9Confident88.6Confident27 Ų2746.1 Ų46.122%0.22325%0.245CC..EExtended strand (participates in β ladder)trans-130.5143.8173.400000109.7L69 I242 S246 Y250L69-A248 HydrophobicContact CD2-CB 3.82Å; I242-A248 HydrophobicContact CD1-CB 4.3Å; I242-A248 PolarHBondContact N-O 3.37Å; S246-A248 PolarHBondContact O-N 3Å; A248-Y250 HydrophobicContact CB-CE2 4.31Å
249Q87.2Confident88.5Confident123 Ų12346.7 Ų46.758%0.57525%0.25SC*.EExtended strand (participates in β ladder)trans-116.2124.2176.1175.5173.691.700109.4A240 D241A240-Q249 WeakPolarHBondContact O-CA 3.32Å; D241-Q249 WeakPolarHBondContact OD1-CB 3.46Å; D241-Q249 WeakPolarHBondContact OD1-CG 3.35Å; D241-Q249 PolarHBondContact OD1-NE2 2.98Å
250Y89Confident88.4Confident31 Ų3152.5 Ų52.512%0.12228%0.282CS..EExtended strand (participates in β ladder)trans-99.9139.4169.5-69.4-89.4000110R66 L130 Y239 A240 I242 A248 R286 G287R66-Y250 PolarHBondContact NE-OH 3.46Å; L130-Y250 HydrophobicContact CD1-CD2 3.92Å; L130-Y250 HydrophobicContact CD1-CE2 3.92Å; Y239-Y250 CarbonylContact C-O 3.45Å; Y239-Y250 WeakPolarHBondContact CA-O 3.49Å; A240-Y250 PolarHBondContact N-O 3.12Å; A240-Y250 PolarHBondContact O-N 2.96Å; I242-Y250 HydrophobicContact CD1-CD2 4.39Å; I242-Y250 HydrophobicContact CD1-CE2 3.85Å; A248-Y250 HydrophobicContact CB-CE2 4.31Å; Y250-R286 PolarHBondContact OH-NH2 2.82Å; Y250-G287 WeakPolarHBondContact CB-O 3.43Å
251K93.1Very high88.4Confident89 Ų8954.3 Ų54.339%0.38729%0.291SS..EExtended strand (participates in β ladder)trans-132.9103.7-179.2-177.7176.9-174.3155.60110.1Q238 Y239 E347Q238-K251 WeakPolarHBondContact O-CA 3.43Å; Y239-K251 HydrophobicContact CD1-CB 4.38Å; Y239-K251 HydrophobicContact CD1-CD 4.34Å; Y239-K251 HydrophobicContact CD1-CG 4.14Å; Y239-K251 HydrophobicContact CE1-CB 4.42Å; Y239-K251 HydrophobicContact CE1-CD 3.59Å; Y239-K251 HydrophobicContact CE1-CG 3.79Å; Y239-K251 WeakPolarHBondContact OH-CE 3.31Å; Y239-K251 PolarHBondContact OH-NZ 3.09Å; K251-E347 IonicContact NZ-OE1 3.66Å
252C94.2Very high88.5Confident11 Ų1158.2 Ų58.27%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-115.9120.6-173.6-670000110.2R237 Q238 V254 G287 L288R237-C252 CarbonylContact C-O 3.53Å; R237-C252 WeakPolarHBondContact CA-O 3.35Å; Q238-C252 PolarHBondContact N-O 3.1Å; Q238-C252 PolarHBondContact O-N 2.82Å; C252-V254 PolarHBondContact O-N 2.83Å; C252-G287 PolarHBondContact SG-O 2.96Å; C252-L288 HydrophobicContact CB-CD1 3.96Å
253P95.1Very high88.9Confident47 Ų4758.1 Ų58.131%0.30531%0.307SS..EExtended strand (participates in β ladder)trans-67.7124.8167.828.1-30.7000108.5V236 N282 K285V236-P253 CarbonylContact O-C 3.59Å; V236-P253 WeakPolarHBondContact O-CA 3.26Å; P253-N282 PolarHBondContact O-OD1 2.81Å; P253-K285 PolarHBondContact O-NZ 2.79Å
254V96.7Very high89.5Confident2 Ų260.2 Ų60.21%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-106.9-15.9-178.6-65.60000113.2V236 Q238 C252 P277 N282 L288 L301 Y322V236-V254 HydrophobicContact CB-CG2 3.86Å; V236-V254 HydrophobicContact CG1-CG2 3.49Å; V236-V254 VanDerWaalsContact CG1-CG2 3.49Å; V236-V254 WeakPolarHBondContact O-CG2 3.32Å; V236-V254 PolarHBondContact O-N 3.01Å; Q238-V254 HydrophobicContact CB-CG1 3.86Å; C252-V254 PolarHBondContact O-N 2.83Å; V254-P277 HydrophobicContact CB-CB 4.32Å; V254-P277 HydrophobicContact CG2-CB 3.73Å; V254-N282 WeakPolarHBondContact CA-OD1 3.4Å; V254-N282 PolarHBondContact O-ND2 3.46Å; V254-N282 PolarHBondContact O-OD1 2.73Å; V254-L288 HydrophobicContact CG1-CD1 3.49Å; V254-L288 VanDerWaalsContact CG1-CD1 3.49Å; V254-L301 HydrophobicContact CB-CD1 4.23Å; V254-L301 HydrophobicContact CG1-CD1 4.34Å; V254-L301 HydrophobicContact CG1-CD2 4.29Å; V254-Y322 HydrophobicContact CG2-CD1 4.41Å; V254-Y322 HydrophobicContact CG2-CE1 4.29Å
255A97.2Very high90.2Very high19 Ų1962.9 Ų62.916%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-153147.2166.400000108.7S235 V236 L275 P277S235-A255 CarbonylContact C-O 3.48Å; S235-A255 VanDerWaalsContact CA-O 3.26Å; S235-A255 WeakPolarHBondContact CA-O 3.38Å; V236-A255 HydrophobicContact CB-CB 4.08Å; V236-A255 HydrophobicContact CG2-CB 4.02Å; V236-A255 PolarHBondContact N-O 2.8Å; V236-A255 PolarHBondContact O-N 3.4Å; A255-L275 HydrophobicContact CB-CB 4.19Å; A255-L275 HydrophobicContact CB-CD2 4.2Å; A255-P277 HydrophobicContact CB-CB 4.49Å
256Q96.6Very high91.4Very high106 Ų10660.3 Ų60.350%0.49534%0.34SS..EExtended strand (participates in β ladder)trans-147.6141.7178.1-174.3176.2-2300110.7I234I234-Q256 CarbonylContact O-C 3.6Å; I234-Q256 WeakPolarHBondContact O-CA 3.24Å
257V96.5Very high92.8Very high48 Ų4859.6 Ų59.629%0.29134%0.335SS..EExtended strand (participates in β ladder)trans-128.4131.6169.9173.30000107.3I234 Y273 L275I234-V257 PolarHBondContact N-O 2.92Å; I234-V257 PolarHBondContact O-N 3.47Å; I234-V257 VanDerWaalsContact O-O 3.14Å; V257-Y273 HydrophobicContact CG1-CD1 4.25Å; V257-L275 HydrophobicContact CB-CD2 4.35Å; V257-L275 HydrophobicContact CG2-CD2 3.97Å; V257-L275 HydrophobicContact CG2-CG 3.87Å
258E95.9Very high93.7Very high76 Ų7658.4 Ų58.436%0.35533%0.328SS..EExtended strand (participates in β ladder)trans-117.5119.6171.9-177.6156.6-175.100107.5R231 K233R231-E258 VanDerWaalsContact CD-OE1 3.27Å; R231-E258 WeakPolarHBondContact CD-OE1 3.39Å; R231-E258 IonicContact CZ-OE1 3.07Å; R231-E258 IonicContact NE-OE1 3.99Å; R231-E258 PolarHBondContact NE-OE1 2.71Å; R231-E258 IonicContact NH1-OE1 2.69Å; R231-E258 PolarHBondContact NH1-OE1 2.89Å; R231-E258 IonicContact NH2-OE1 3.29Å; K233-E258 WeakPolarHBondContact CE-OE1 3.41Å; K233-E258 HydrophobicContact CG-CB 4.49Å; K233-E258 HydrophobicContact CG-CG 4.02Å; K233-E258 IonicContact NZ-OE1 3.16Å; K233-E258 PolarHBondContact NZ-OE1 2.9Å; K233-E258 IonicContact NZ-OE2 2.65Å; K233-E258 PolarHBondContact NZ-OE2 3.32Å
259A95.4Very high94.4Very high13 Ų1358.8 Ų58.811%0.10732%0.324CS..EExtended strand (participates in β ladder)trans-118.3128.4-173.800000109.9R231 L232 D261 Y273R231-A259 WeakPolarHBondContact CA-O 3.39Å; R231-A259 VanDerWaalsContact CB-O 3.26Å; R231-A259 WeakPolarHBondContact CB-O 3.16Å; L232-A259 PolarHBondContact N-O 2.79Å; L232-A259 PolarHBondContact O-N 2.92Å; A259-D261 VanDerWaalsContact CB-OD2 3.31Å; A259-D261 WeakPolarHBondContact CB-OD2 3.44Å; A259-D261 PolarHBondContact O-N 3.43Å; A259-D261 VanDerWaalsContact O-N 3.07Å; A259-Y273 HydrophobicContact CB-CE1 3.56Å
260D94.3Very high94.8Very high130 Ų13057.6 Ų57.670%0.69533%0.328SS*.  trans-78.821.1178.4-63.5-45.9000113Q262D260-Q262 PolarHBondContact O-N 2.8Å
261D92.9Very high95.2Very high38 Ų3860 Ų6020%0.20334%0.34CS..  trans-62122.3172.3-65.8-62.1000109.3L232 A259 F269 K271 Y273L232-D261 HydrophobicContact CD1-CB 3.99Å; L232-D261 WeakPolarHBondContact CD1-O 3.22Å; A259-D261 VanDerWaalsContact CB-OD2 3.31Å; A259-D261 WeakPolarHBondContact CB-OD2 3.44Å; A259-D261 PolarHBondContact O-N 3.43Å; A259-D261 VanDerWaalsContact O-N 3.07Å; D261-F269 HydrophobicContact CB-CE2 3.79Å; D261-F269 HydrophobicContact CB-CZ 3.68Å; D261-K271 IonicContact OD1-NZ 2.82Å; D261-K271 PolarHBondContact OD1-NZ 2.82Å; D261-K271 WeakPolarHBondContact OD2-CD 3.2Å; D261-K271 IonicContact OD2-NZ 3.59Å; D261-K271 PolarHBondContact OD2-NZ 3.32Å; D261-Y273 PolarHBondContact OD2-OH 2.8Å
262Q93.7Very high95.5Very high130 Ų13059.4 Ų59.461%0.60734%0.343SS*.  trans-101.6142.8-179.8-67.2-177.36.800110.8V229 K230 D260V229-Q262 VanDerWaalsContact O-CA 3.31Å; V229-Q262 WeakPolarHBondContact O-CA 3.37Å; K230-Q262 WeakPolarHBondContact O-CG 3.42Å; D260-Q262 PolarHBondContact O-N 2.8Å
263V95.2Very high95.6Very high0 Ų059.5 Ų59.50%034%0.342CS..BIsolated β-bridgetrans-120.9104.6173.1-167.40000108.5V221 N223 T228 V229 F269V221-V263 HydrophobicContact CB-CG2 4.43Å; V221-V263 HydrophobicContact CG1-CG1 4.18Å; V221-V263 HydrophobicContact CG1-CG2 4.37Å; N223-V263 HydrophobicContact CB-CG1 3.76Å; N223-V263 PolarHBondContact ND2-O 2.86Å; T228-V263 WeakPolarHBondContact CA-O 3.09Å; V229-V263 HydrophobicContact CB-CB 3.87Å; V229-V263 HydrophobicContact CB-CG2 4.15Å; V229-V263 HydrophobicContact CG2-CB 4.07Å; V229-V263 PolarHBondContact N-O 2.96Å; V229-V263 PolarHBondContact O-N 3.19Å; V263-F269 HydrophobicContact CB-CB 4.41Å; V263-F269 HydrophobicContact CG1-CB 4Å; V263-F269 HydrophobicContact CG2-CB 3.56Å; V263-F269 HydrophobicContact CG2-CD1 4.25Å; V263-F269 HydrophobicContact CG2-CD2 4.29Å; V263-F269 HydrophobicContact CG2-CG 3.79Å
264S94.4Very high95.7Very high65 Ų6561.2 Ų61.246%0.45535%0.352SS..  trans-65.5161179.3-65.30000111.9N223 S267N223-S264 PolarHBondContact ND2-O 2.83Å; S264-S267 PolarHBondContact N-OG 3.04Å; S264-S267 PolarHBondContact O-N 3.15Å; S264-S267 PolarHBondContact O-OG 3.02Å
265S91.9Very high95.8Very high57 Ų5761.3 Ų61.340%0.39935%0.352SS..THydrogen-bonded Turntrans-57.9142.7171.160.40000111S225 S267S225-S265 VanDerWaalsContact O-CB 3.25Å; S225-S265 WeakPolarHBondContact O-CB 3.36Å; S265-S267 VanDerWaalsContact C-N 3.29Å; S265-S267 PolarHBondContact O-N 3.3Å
266S92.6Very high95.8Very high80 Ų8062.4 Ų62.456%0.55936%0.357SS*.THydrogen-bonded Turntrans58.336.3-179.6-47.70000113.7N223N223-S266 CarbonylContact O-C 3.54Å; N223-S266 WeakPolarHBondContact O-CA 3.24Å; N223-S266 PolarHBondContact O-N 2.78Å
267S96Very high95.8Very high37 Ų3757.4 Ų57.426%0.25933%0.334SS..EExtended strand (participates in β ladder)trans-132.4156.9177.971.10000112.1N223 S264 S265N223-S267 WeakPolarHBondContact CA-O 3.41Å; N223-S267 WeakPolarHBondContact CB-O 3.1Å; N223-S267 PolarHBondContact N-O 2.86Å; N223-S267 PolarHBondContact O-N 2.56Å; N223-S267 VanDerWaalsContact O-N 3.17Å; S264-S267 PolarHBondContact N-OG 3.04Å; S264-S267 PolarHBondContact O-N 3.15Å; S264-S267 PolarHBondContact O-OG 3.02Å; S265-S267 VanDerWaalsContact C-N 3.29Å; S265-S267 PolarHBondContact O-N 3.3Å
268T96.6Very high95.7Very high98 Ų9856.8 Ų56.860%0.60133%0.33SS*.EExtended strand (participates in β ladder)trans-107.1154.5171.257.20000110.5V221 T222V221-T268 CarbonylContact O-C 3.5Å; V221-T268 VanDerWaalsContact O-CA 3.26Å; V221-T268 WeakPolarHBondContact O-CA 3.43Å; T222-T268 HydrophobicContact CG2-CG2 4.12Å
269F97.6Very high95.5Very high34 Ų3453.4 Ų53.415%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-142.6137.2178171.7-89.7000109.6H220 V221 L232 D261 V263 K271H220-F269 CarbonylContact C-O 3.57Å; H220-F269 WeakPolarHBondContact CA-O 3.05Å; H220-F269 PolarHBondContact CD2-O 3.17Å; V221-F269 HydrophobicContact CB-CB 4.3Å; V221-F269 HydrophobicContact CG2-CD1 4.34Å; V221-F269 PolarHBondContact N-O 2.81Å; V221-F269 PolarHBondContact O-N 3.01Å; L232-F269 HydrophobicContact CD2-CE1 4.05Å; D261-F269 HydrophobicContact CB-CE2 3.79Å; D261-F269 HydrophobicContact CB-CZ 3.68Å; V263-F269 HydrophobicContact CB-CB 4.41Å; V263-F269 HydrophobicContact CG1-CB 4Å; V263-F269 HydrophobicContact CG2-CB 3.56Å; V263-F269 HydrophobicContact CG2-CD1 4.25Å; V263-F269 HydrophobicContact CG2-CD2 4.29Å; V263-F269 HydrophobicContact CG2-CG 3.79Å; F269-K271 HydrophobicContact CE1-CB 3.58Å; F269-K271 HydrophobicContact CE2-CB 4.25Å; F269-K271 HydrophobicContact CE2-CD 4.37Å; F269-K271 HydrophobicContact CZ-CB 3.39Å; F269-K271 HydrophobicContact CZ-CD 3.7Å; F269-K271 HydrophobicContact CZ-CG 4.21Å
270C97.1Very high95.3Very high98 Ų9858 Ų5866%0.66234%0.337SS*.EExtended strand (participates in β ladder)trans-140126.3175.2-174.60000109.3V219V219-C270 WeakPolarHBondContact O-CA 3.13Å
271K97.5Very high95.1Very high82 Ų8259.6 Ų59.636%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-153.2147.4177.7-168.4171.5-176.9-179.30111.2V219 D261 F269 Y273V219-K271 PolarHBondContact N-O 2.83Å; V219-K271 PolarHBondContact O-N 3.36Å; D261-K271 IonicContact OD1-NZ 2.82Å; D261-K271 PolarHBondContact OD1-NZ 2.82Å; D261-K271 WeakPolarHBondContact OD2-CD 3.2Å; D261-K271 IonicContact OD2-NZ 3.59Å; D261-K271 PolarHBondContact OD2-NZ 3.32Å; F269-K271 HydrophobicContact CE1-CB 3.58Å; F269-K271 HydrophobicContact CE2-CB 4.25Å; F269-K271 HydrophobicContact CE2-CD 4.37Å; F269-K271 HydrophobicContact CZ-CB 3.39Å; F269-K271 HydrophobicContact CZ-CD 3.7Å; F269-K271 HydrophobicContact CZ-CG 4.21Å; K271-Y273 HydrophobicContact CB-CE2 4.13Å; K271-Y273 HydrophobicContact CD-CE1 4.09Å; K271-Y273 HydrophobicContact CD-CE2 4.45Å; K271-Y273 HydrophobicContact CG-CE2 4.32Å
272V97.7Very high95Very high77 Ų7758 Ų5847%0.46733%0.33SS..EExtended strand (participates in β ladder)trans-101.4129.8173.9-170.60000109.1V217 N218V217-V272 WeakPolarHBondContact O-CA 3.16Å; N218-V272 WeakPolarHBondContact OD1-CG2 3.49Å
273Y97.7Very high94.6Very high13 Ų1355.3 Ų55.35%0.05131%0.314CS..EExtended strand (participates in β ladder)trans-111146.3174.5-61.4-88.6000110.1V217 V219 L232 I234 V257 A259 D261 K271V217-Y273 PolarHBondContact N-O 3.31Å; V217-Y273 PolarHBondContact O-N 2.86Å; V219-Y273 HydrophobicContact CB-CD2 4.4Å; V219-Y273 HydrophobicContact CB-CE2 4.12Å; V219-Y273 HydrophobicContact CG2-CD2 3.87Å; V219-Y273 HydrophobicContact CG2-CE2 3.99Å; L232-Y273 HydrophobicContact CD2-CE2 4.38Å; I234-Y273 HydrophobicContact CD1-CD1 3.85Å; I234-Y273 HydrophobicContact CD1-CD2 3.75Å; I234-Y273 HydrophobicContact CD1-CE1 3.89Å; I234-Y273 HydrophobicContact CD1-CE2 3.79Å; I234-Y273 HydrophobicContact CD1-CG 3.76Å; I234-Y273 HydrophobicContact CG1-CD2 4.07Å; I234-Y273 HydrophobicContact CG1-CE2 4.46Å; I234-Y273 HydrophobicContact CG1-CG 4.18Å; V257-Y273 HydrophobicContact CG1-CD1 4.25Å; A259-Y273 HydrophobicContact CB-CE1 3.56Å; D261-Y273 PolarHBondContact OD2-OH 2.8Å; K271-Y273 HydrophobicContact CB-CE2 4.13Å; K271-Y273 HydrophobicContact CD-CE1 4.09Å; K271-Y273 HydrophobicContact CD-CE2 4.45Å; K271-Y273 HydrophobicContact CG-CE2 4.32Å
274T97.6Very high94.1Very high82 Ų8264.1 Ų64.150%0.50336%0.355SS..EExtended strand (participates in β ladder)trans-117128.7177.7-53.80000110.3P214 I215P214-T274 HydrophobicContact CB-CG2 3.53Å; I215-T274 VanDerWaalsContact O-CA 3.32Å; I215-T274 WeakPolarHBondContact O-CA 3.42Å
275L97.7Very high93.6Very high4 Ų464.5 Ų64.52%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-129.5138.7177.5-64.194.2000110I215 V217 I234 V236 A255 V257I215-L275 WeakPolarHBondContact CB-O 3.29Å; I215-L275 PolarHBondContact N-O 3.32Å; I215-L275 PolarHBondContact O-N 2.87Å; V217-L275 HydrophobicContact CG2-CD1 3.85Å; I234-L275 HydrophobicContact CB-CD1 4.23Å; I234-L275 HydrophobicContact CB-CD2 4.48Å; I234-L275 HydrophobicContact CG2-CD1 3.49Å; I234-L275 VanDerWaalsContact CG2-CD1 3.49Å; I234-L275 HydrophobicContact CG2-CD2 4.08Å; I234-L275 HydrophobicContact CG2-CG 4.47Å; V236-L275 HydrophobicContact CG2-CB 3.92Å; V236-L275 HydrophobicContact CG2-CD2 4.13Å; A255-L275 HydrophobicContact CB-CB 4.19Å; A255-L275 HydrophobicContact CB-CD2 4.2Å; V257-L275 HydrophobicContact CB-CD2 4.35Å; V257-L275 HydrophobicContact CG2-CD2 3.97Å; V257-L275 HydrophobicContact CG2-CG 3.87Å
276T97.1Very high93.2Very high43 Ų4366.9 Ų66.926%0.26435%0.349SS..  trans-120.9103.2177.2-47.40000109.3G212 T278G212-T276 WeakPolarHBondContact O-CG2 3.38Å; T276-T278 HydrophobicContact CG2-CG2 3.78Å; T276-T278 PolarHBondContact O-N 3.5Å
277P96.1Very high92.8Very high1 Ų163.1 Ų63.11%0.00632%0.322CS..  trans-74.7112.317630.9-32.8000109.9I215 V236 V254 A255 L301 L352I215-P277 HydrophobicContact CD1-CG 3.82Å; V236-P277 HydrophobicContact CG1-CB 4.17Å; V236-P277 HydrophobicContact CG1-CG 4.39Å; V254-P277 HydrophobicContact CB-CB 4.32Å; V254-P277 HydrophobicContact CG2-CB 3.73Å; A255-P277 HydrophobicContact CB-CB 4.49Å; P277-L301 HydrophobicContact CB-CD1 4.09Å; P277-L352 HydrophobicContact CG-CD2 4.43Å
278T94.5Very high92.6Very high34 Ų3461.3 Ų61.321%0.20931%0.31CS..  trans-129.1149.117864.70000111.3T276 D280 N282T276-T278 HydrophobicContact CG2-CG2 3.78Å; T276-T278 PolarHBondContact O-N 3.5Å; T278-D280 VanDerWaalsContact C-N 3.3Å; T278-D280 PolarHBondContact O-N 3.37Å; T278-N282 PolarHBondContact O-ND2 2.76Å
279L93.1Very high92.6Very high6 Ų656.7 Ų56.73%0.03128%0.281CS..SBendtrans-63.2-37.8177.1177.856.3000111.7K281 N282 R283 L288 L290 L294 T299 L301L279-K281 PolarHBondContact O-N 3.49Å; L279-K281 VanDerWaalsContact O-N 3.1Å; L279-N282 CarbonylContact O-C 3.55Å; L279-N282 WeakPolarHBondContact O-CA 3.14Å; L279-N282 PolarHBondContact O-N 2.65Å; L279-R283 HydrophobicContact CD1-CG 4.42Å; L279-R283 HydrophobicContact CG-CG 4.24Å; L279-R283 WeakPolarHBondContact O-CG 3.4Å; L279-R283 PolarHBondContact O-N 3.44Å; L279-R283 VanDerWaalsContact O-N 3.12Å; L279-L288 HydrophobicContact CD1-CD2 3.84Å; L279-L290 HydrophobicContact CD1-CD2 3.44Å; L279-L290 VanDerWaalsContact CD1-CD2 3.44Å; L279-L290 HydrophobicContact CD2-CD2 4.19Å; L279-L290 HydrophobicContact CG-CD2 4.44Å; L279-L294 HydrophobicContact CD1-CD1 4.28Å; L279-L294 HydrophobicContact CD2-CD1 4.45Å; L279-T299 HydrophobicContact CD2-CG2 4.02Å; L279-T299 VanDerWaalsContact CD2-O 3.31Å; L279-T299 WeakPolarHBondContact CD2-O 3.26Å; L279-L301 HydrophobicContact CB-CD2 4.45Å; L279-L301 HydrophobicContact CB-CG 4.4Å; L279-L301 HydrophobicContact CD1-CD2 4.24Å
280D90.1Very high92.4Very high109 Ų10955.1 Ų55.158%0.58328%0.275SS*.THydrogen-bonded Turntrans-56-34.5-174.3-64.4-36.8000114.2T278 N282 R283T278-D280 VanDerWaalsContact C-N 3.3Å; T278-D280 PolarHBondContact O-N 3.37Å; D280-N282 VanDerWaalsContact C-N 3.28Å; D280-N282 PolarHBondContact O-N 2.7Å; D280-R283 IonicContact OD1-CZ 3.28Å; D280-R283 IonicContact OD1-NE 3.8Å; D280-R283 PolarHBondContact OD1-NE 3.33Å; D280-R283 VanDerWaalsContact OD1-NE 3.09Å; D280-R283 IonicContact OD1-NH2 3.43Å; D280-R283 PolarHBondContact OD1-NH2 2.92Å
281K89.7Confident92.2Very high164 Ų16451 Ų5171%0.71325%0.246SC*.THydrogen-bonded Turntrans-83.1-1.9177.6-64.2179.7-179.4175.30113.9L279L279-K281 PolarHBondContact O-N 3.49Å; L279-K281 VanDerWaalsContact O-N 3.1Å
282N90.8Very high91.8Very high5 Ų547.5 Ų47.53%0.02723%0.233CC..THydrogen-bonded Turntrans-130.86.1-169.8-64.9-74.5000113.6P253 V254 T278 L279 D280 E284 K285 L288P253-N282 PolarHBondContact O-OD1 2.81Å; V254-N282 WeakPolarHBondContact CA-OD1 3.4Å; V254-N282 PolarHBondContact O-ND2 3.46Å; V254-N282 PolarHBondContact O-OD1 2.73Å; T278-N282 PolarHBondContact O-ND2 2.76Å; L279-N282 CarbonylContact O-C 3.55Å; L279-N282 WeakPolarHBondContact O-CA 3.14Å; L279-N282 PolarHBondContact O-N 2.65Å; D280-N282 VanDerWaalsContact C-N 3.28Å; D280-N282 PolarHBondContact O-N 2.7Å; N282-E284 PolarHBondContact O-N 3.44Å; N282-K285 HydrophobicContact CB-CD 4.15Å; N282-K285 WeakPolarHBondContact O-CB 3.5Å; N282-K285 PolarHBondContact O-N 3.38Å; N282-K285 VanDerWaalsContact O-N 3.1Å; N282-K285 WeakPolarHBondContact OD1-CD 3.49Å; N282-K285 WeakPolarHBondContact OD1-CE 3.38Å; N282-K285 PolarHBondContact OD1-NZ 3.23Å; N282-L288 HydrophobicContact CB-CD2 3.81Å
283R86.1Confident91.1Very high73 Ų7345.8 Ų45.828%0.27522%0.219SC..THydrogen-bonded Turntrans-59.7-14.5-175.9-66.5-178.5174.3-124.1-1.3115.2Q131 L279 D280 L294Q131-R283 PolarHBondContact NE2-O 2.93Å; L279-R283 HydrophobicContact CD1-CG 4.42Å; L279-R283 HydrophobicContact CG-CG 4.24Å; L279-R283 WeakPolarHBondContact O-CG 3.4Å; L279-R283 PolarHBondContact O-N 3.44Å; L279-R283 VanDerWaalsContact O-N 3.12Å; D280-R283 IonicContact OD1-CZ 3.28Å; D280-R283 IonicContact OD1-NE 3.8Å; D280-R283 PolarHBondContact OD1-NE 3.33Å; D280-R283 VanDerWaalsContact OD1-NE 3.09Å; D280-R283 IonicContact OD1-NH2 3.43Å; D280-R283 PolarHBondContact OD1-NH2 2.92Å; R283-L294 HydrophobicContact CB-CD1 4.36Å; R283-L294 HydrophobicContact CG-CD1 4.3Å
284E84.1Confident90.5Very high185 Ų18547 Ų4786%0.86423%0.227SC*.THydrogen-bonded Turntrans-98.8-1.2-179.2-60.8-176.5-176.700113.4N282N282-E284 PolarHBondContact O-N 3.44Å
285K85.3Confident89.8Confident72 Ų7244.2 Ų44.231%0.31321%0.208SC..  trans-84.2124.3-172.8-68-177174.8167.50112.4Q131 P253 N282 L288Q131-K285 WeakPolarHBondContact CG-O 3.41Å; Q131-K285 PolarHBondContact OE1-O 2.9Å; P253-K285 PolarHBondContact O-NZ 2.79Å; N282-K285 HydrophobicContact CB-CD 4.15Å; N282-K285 WeakPolarHBondContact O-CB 3.5Å; N282-K285 PolarHBondContact O-N 3.38Å; N282-K285 VanDerWaalsContact O-N 3.1Å; N282-K285 WeakPolarHBondContact OD1-CD 3.49Å; N282-K285 WeakPolarHBondContact OD1-CE 3.38Å; N282-K285 PolarHBondContact OD1-NZ 3.23Å; K285-L288 HydrophobicContact CB-CB 4.49Å
286R83.2Confident89.3Confident107 Ų10745.5 Ų45.540%0.40421%0.213SC..THydrogen-bonded Turntrans-58.8141.3163.6174.7-178.3156.4176.2-4.5109.9R66 D68 Y250 L288R66-R286 VanDerWaalsContact NE-NH2 3.19Å; R66-R286 VanDerWaalsContact NH2-NH1 3.15Å; D68-R286 IonicContact OD1-NH2 2.67Å; D68-R286 IonicContact OD2-CZ 3.39Å; D68-R286 IonicContact OD2-NH1 3.09Å; D68-R286 PolarHBondContact OD2-NH1 3.05Å; D68-R286 IonicContact OD2-NH2 2.83Å; D68-R286 PolarHBondContact OD2-NH2 2.93Å; Y250-R286 PolarHBondContact OH-NH2 2.82Å; R286-L288 VanDerWaalsContact C-N 3.29Å; R286-L288 PolarHBondContact O-N 2.81Å
287G84.2Confident88.9Confident1 Ų149.1 Ų49.11%0.0123%0.227CC..THydrogen-bonded Turntrans78.110.5165.600000114.8Q131 Y250 C252Q131-G287 PolarHBondContact O-N 3.03Å; Y250-G287 WeakPolarHBondContact CB-O 3.43Å; C252-G287 PolarHBondContact SG-O 2.96Å
288L92.1Very high88.5Confident0 Ų051.5 Ų51.50%024%0.24CC..  trans-75.4127173-172.871.2000110Q131 C252 V254 L279 N282 K285 R286 L290 L301Q131-L288 HydrophobicContact CB-CB 4.18Å; Q131-L288 WeakPolarHBondContact CB-O 3.46Å; Q131-L288 PolarHBondContact N-O 2.73Å; C252-L288 HydrophobicContact CB-CD1 3.96Å; V254-L288 HydrophobicContact CG1-CD1 3.49Å; V254-L288 VanDerWaalsContact CG1-CD1 3.49Å; L279-L288 HydrophobicContact CD1-CD2 3.84Å; N282-L288 HydrophobicContact CB-CD2 3.81Å; K285-L288 HydrophobicContact CB-CB 4.49Å; R286-L288 VanDerWaalsContact C-N 3.29Å; R286-L288 PolarHBondContact O-N 2.81Å; L288-L290 HydrophobicContact CD2-CD2 3.93Å; L288-L290 HydrophobicContact CG-CD2 4.12Å; L288-L301 HydrophobicContact CD1-CD2 3.87Å; L288-L301 HydrophobicContact CD2-CD2 3.7Å; L288-L301 HydrophobicContact CG-CD2 3.97Å
289A94.8Very high88.3Confident0 Ų050.2 Ų50.20%023%0.232CC..EExtended strand (participates in β ladder)trans-78.9131.2174.100000111.1V128 T129 L130 Q238 A240 A302 V320V128-A289 HydrophobicContact CG1-CB 3.95Å; T129-A289 CarbonylContact O-C 3.51Å; T129-A289 WeakPolarHBondContact O-CA 3.44Å; L130-A289 HydrophobicContact CD2-CB 3.85Å; Q238-A289 PolarHBondContact NE2-O 3.28Å; A240-A289 HydrophobicContact CB-CB 3.95Å; A289-A302 HydrophobicContact CB-CB 3.77Å; A289-A302 WeakPolarHBondContact O-CB 3.11Å; A289-A302 PolarHBondContact O-N 3.42Å; A289-V320 HydrophobicContact CB-CG1 4.47Å; A289-V320 HydrophobicContact CB-CG2 3.73Å
290L94.6Very high88.3Confident2 Ų252.6 Ų52.61%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-122.6152.2-178-54-179.7000110.2V128 T129 Q131 L279 L288 G292 L294 T299 N300V128-L290 WeakPolarHBondContact CA-O 3.45Å; T129-L290 PolarHBondContact N-O 2.87Å; T129-L290 PolarHBondContact O-N 3.1Å; Q131-L290 HydrophobicContact CB-CD1 4.38Å; L279-L290 HydrophobicContact CD1-CD2 3.44Å; L279-L290 VanDerWaalsContact CD1-CD2 3.44Å; L279-L290 HydrophobicContact CD2-CD2 4.19Å; L279-L290 HydrophobicContact CG-CD2 4.44Å; L288-L290 HydrophobicContact CD2-CD2 3.93Å; L288-L290 HydrophobicContact CG-CD2 4.12Å; L290-G292 WeakPolarHBondContact CB-O 3.47Å; L290-G292 PolarHBondContact O-N 2.84Å; L290-L294 HydrophobicContact CD1-CB 4.11Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L290-T299 HydrophobicContact CB-CG2 3.96Å; L290-T299 HydrophobicContact CD1-CG2 4.23Å; L290-N300 WeakPolarHBondContact CA-O 3.48Å
291D92.3Very high88.6Confident11 Ų1147.5 Ų47.56%0.05922%0.218CC..SBendtrans-84.913172.668.44.8000112.9R170 N300 H354R170-D291 WeakPolarHBondContact CD-O 3.14Å; R170-D291 PolarHBondContact NH1-O 2.8Å; R170-D291 IonicContact NH1-OD1 3.13Å; D291-N300 PolarHBondContact N-O 3.12Å; D291-N300 VanDerWaalsContact N-O 3.16Å; D291-N300 PolarHBondContact OD1-N 2.78Å; D291-H354 IonicContact OD2-CD2 3.2Å; D291-H354 IonicContact OD2-CE1 2.76Å; D291-H354 IonicContact OD2-NE2 2.73Å; D291-H354 PolarHBondContact OD2-NE2 2.83Å
292G88.5Confident88.9Confident8 Ų839.8 Ų39.88%0.08218%0.184CC..SBendtrans-172.3-169.3-174.500000112.1L290L290-G292 WeakPolarHBondContact CB-O 3.47Å; L290-G292 PolarHBondContact O-N 2.84Å
293K84.7Confident89.1Confident42 Ų4240.4 Ų40.418%0.18319%0.189CC..  trans-89.4136.4174.6-61.3-171.3172.6-172.10108.9K295 H296 T299 D412K293-K295 HydrophobicContact CB-CG 4.22Å; K293-K295 PolarHBondContact O-N 3.46Å; K293-H296 PolarHBondContact O-N 3.4Å; K293-T299 PolarHBondContact N-OG1 2.83Å; K293-T299 PolarHBondContact O-OG1 2.86Å; K293-D412 IonicContact NZ-OD2 2.83Å; K293-D412 PolarHBondContact NZ-OD2 3.23Å
294L84.1Confident89.5Confident39 Ų3937.3 Ų37.320%0.20418%0.179CC..THydrogen-bonded Turntrans-50.6-30.3-178.9-17070.2000113.7L279 R283 L290 H296 L404 M407L279-L294 HydrophobicContact CD1-CD1 4.28Å; L279-L294 HydrophobicContact CD2-CD1 4.45Å; R283-L294 HydrophobicContact CB-CD1 4.36Å; R283-L294 HydrophobicContact CG-CD1 4.3Å; L290-L294 HydrophobicContact CD1-CB 4.11Å; L290-L294 HydrophobicContact CD1-CD1 3.99Å; L294-H296 VanDerWaalsContact C-N 3.3Å; L294-H296 PolarHBondContact O-N 3.06Å; L294-L404 WeakPolarHBondContact O-CD1 3.26Å; L294-M407 VanDerWaalsContact C-CE 3.42Å; L294-M407 HydrophobicContact CB-CE 3.84Å; L294-M407 HydrophobicContact CD2-CE 3.79Å; L294-M407 HydrophobicContact CG-CE 3.6Å; L294-M407 HydrophobicContact CG-SD 4.23Å
295K82.9Confident89.9Confident23 Ų2330.4 Ų30.410%0.115%0.149CC..THydrogen-bonded Turntrans-72.3-15.7178.972.3-169.5-176.8-173.10115.1K293 R403 L404 M407 D412K293-K295 HydrophobicContact CB-CG 4.22Å; K293-K295 PolarHBondContact O-N 3.46Å; K295-R403 CarbonylContact O-C 3.51Å; K295-R403 VanDerWaalsContact O-CA 3.23Å; K295-R403 WeakPolarHBondContact O-CA 3.4Å; K295-L404 PolarHBondContact O-N 3.02Å; K295-M407 VanDerWaalsContact CA-CE 3.44Å; K295-M407 VanDerWaalsContact CA-SD 3.59Å; K295-M407 HydrophobicContact CB-CE 3.81Å; K295-M407 HydrophobicContact CB-SD 4.36Å; K295-M407 VanDerWaalsContact N-CE 3.34Å; K295-D412 IonicContact NZ-OD2 3.25Å; K295-D412 PolarHBondContact NZ-OD2 3.17Å
296H87.1Confident90.1Very high30 Ų3029.1 Ų29.114%0.13915%0.145CC..BIsolated β-bridgetrans-91.3135.8-177.5-52153.4000111.2K293 L294 D298 T299 R401 L402 L404K293-H296 PolarHBondContact O-N 3.4Å; L294-H296 VanDerWaalsContact C-N 3.3Å; L294-H296 PolarHBondContact O-N 3.06Å; H296-D298 VanDerWaalsContact C-N 3.25Å; H296-D298 VanDerWaalsContact CB-OD1 3.29Å; H296-D298 WeakPolarHBondContact CB-OD1 3.36Å; H296-D298 PolarHBondContact O-N 3.1Å; H296-T299 WeakPolarHBondContact O-CB 2.85Å; H296-T299 PolarHBondContact O-N 2.94Å; H296-T299 PolarHBondContact O-OG1 3.26Å; H296-R401 HydrophobicContact CB-CB 4.1Å; H296-L402 WeakPolarHBondContact CA-O 3.46Å; H296-L404 WeakPolarHBondContact O-CD1 3.27Å
297E87.8Confident89.9Confident119 Ų11926.3 Ų26.356%0.55614%0.14SC*.THydrogen-bonded Turntrans-61.6-32-178.2-174.3179179.300113.4T299 L402 L404E297-T299 VanDerWaalsContact C-N 3.27Å; E297-T299 PolarHBondContact O-N 2.99Å; E297-L402 HydrophobicContact CB-CB 4.3Å; E297-L402 PolarHBondContact N-O 3.04Å; E297-L402 WeakPolarHBondContact OE2-CB 3.09Å; E297-L404 HydrophobicContact CB-CD2 4.38Å; E297-L404 HydrophobicContact CB-CG 4.35Å; E297-L404 HydrophobicContact CG-CD2 4.38Å
298D88.4Confident89.3Confident52 Ų5233.1 Ų33.128%0.27817%0.169SC..THydrogen-bonded Turntrans-88.817.7-178.765.9-20000113.9R170 H296 R401R170-D298 IonicContact CZ-OD2 2.69Å; R170-D298 PolarHBondContact NH1-O 2.8Å; R170-D298 IonicContact NH2-OD2 3.65Å; R170-D298 PolarHBondContact NH2-OD2 3.23Å; H296-D298 VanDerWaalsContact C-N 3.25Å; H296-D298 VanDerWaalsContact CB-OD1 3.29Å; H296-D298 WeakPolarHBondContact CB-OD1 3.36Å; H296-D298 PolarHBondContact O-N 3.1Å; D298-R401 WeakPolarHBondContact OD1-CD 3.25Å; D298-R401 IonicContact OD2-CZ 3.69Å; D298-R401 IonicContact OD2-NE 3.26Å; D298-R401 IonicContact OD2-NH1 2.67Å; D298-R401 PolarHBondContact OD2-NH1 3.17Å
299T90.7Very high88.2Confident7 Ų737.8 Ų37.84%0.04319%0.194CC..  trans-91.6135.8177.3-620000111.1L279 L290 K293 H296 E297L279-T299 HydrophobicContact CD2-CG2 4.02Å; L279-T299 VanDerWaalsContact CD2-O 3.31Å; L279-T299 WeakPolarHBondContact CD2-O 3.26Å; L290-T299 HydrophobicContact CB-CG2 3.96Å; L290-T299 HydrophobicContact CD1-CG2 4.23Å; K293-T299 PolarHBondContact N-OG1 2.83Å; K293-T299 PolarHBondContact O-OG1 2.86Å; H296-T299 WeakPolarHBondContact O-CB 2.85Å; H296-T299 PolarHBondContact O-N 2.94Å; H296-T299 PolarHBondContact O-OG1 3.26Å; E297-T299 VanDerWaalsContact C-N 3.27Å; E297-T299 PolarHBondContact O-N 2.99Å
300N93.4Very high86.9Confident56 Ų5641.3 Ų41.330%0.29922%0.215SC..  trans-126.8-179.4175.2-73-78.7000110.8L290 D291L290-N300 WeakPolarHBondContact CA-O 3.48Å; D291-N300 PolarHBondContact N-O 3.12Å; D291-N300 VanDerWaalsContact N-O 3.16Å; D291-N300 PolarHBondContact OD1-N 2.78Å
301L95.4Very high85.4Confident2 Ų246.9 Ų46.91%0.0125%0.25CC..BIsolated β-bridgetrans-57.3143.3164.7-61.7176.4000109.1H211 V254 P277 L279 L288 S303 Y322 L352H211-L301 PolarHBondContact CE1-O 3.44Å; H211-L301 PolarHBondContact NE2-O 2.7Å; V254-L301 HydrophobicContact CB-CD1 4.23Å; V254-L301 HydrophobicContact CG1-CD1 4.34Å; V254-L301 HydrophobicContact CG1-CD2 4.29Å; P277-L301 HydrophobicContact CB-CD1 4.09Å; L279-L301 HydrophobicContact CB-CD2 4.45Å; L279-L301 HydrophobicContact CB-CG 4.4Å; L279-L301 HydrophobicContact CD1-CD2 4.24Å; L288-L301 HydrophobicContact CD1-CD2 3.87Å; L288-L301 HydrophobicContact CD2-CD2 3.7Å; L288-L301 HydrophobicContact CG-CD2 3.97Å; L301-S303 PolarHBondContact O-N 2.89Å; L301-Y322 WeakPolarHBondContact CB-OH 3.32Å; L301-L352 HydrophobicContact CD1-CD2 4.42Å
302A95.8Very high84.2Confident1 Ų150.7 Ų50.71%0.00827%0.27CS..PPolyproline II helixtrans-60.6132.217800000110.7V128 A289 V320 Y322V128-A302 HydrophobicContact CG1-CB 4.07Å; V128-A302 HydrophobicContact CG2-CB 4.48Å; A289-A302 HydrophobicContact CB-CB 3.77Å; A289-A302 WeakPolarHBondContact O-CB 3.11Å; A289-A302 PolarHBondContact O-N 3.42Å; A302-V320 HydrophobicContact CB-CB 4.35Å; A302-V320 HydrophobicContact CB-CG1 4.07Å; A302-V320 HydrophobicContact CB-CG2 3.83Å; A302-Y322 VanDerWaalsContact O-CE2 3.24Å; A302-Y322 WeakPolarHBondContact O-CE2 3.38Å; A302-Y322 VanDerWaalsContact O-CZ 3.32Å; A302-Y322 PolarHBondContact O-OH 2.81Å
303S95.2Very high83.3Confident19 Ų1956.2 Ų56.213%0.13329%0.292CS..PPolyproline II helixtrans-61.3151.5172.4-63.50000111.3H211 L301 T305 L352H211-S303 PolarHBondContact NE2-OG 2.99Å; H211-S303 VanDerWaalsContact NE2-OG 3.15Å; L301-S303 PolarHBondContact O-N 2.89Å; S303-T305 PolarHBondContact O-N 2.78Å; S303-L352 CarbonylContact C-O 3.42Å; S303-L352 WeakPolarHBondContact CA-O 3.15Å
304S95.1Very high82.4Confident8 Ų860.1 Ų60.16%0.05631%0.311CS..PPolyproline II helixtrans-54.5134.5171-69.30000110.4I306 V320 Y322 L352S304-I306 PolarHBondContact O-N 2.75Å; S304-V320 WeakPolarHBondContact CA-O 2.79Å; S304-Y322 WeakPolarHBondContact OG-CD2 3.29Å; S304-L352 PolarHBondContact N-O 3.32Å; S304-L352 PolarHBondContact OG-N 2.82Å
305T92.8Very high81.7Confident39 Ų3959.9 Ų59.924%0.23931%0.311CS..PPolyproline II helixtrans-80.5120178-48.60000110S303 V307 L319 V320S303-T305 PolarHBondContact O-N 2.78Å; T305-V307 HydrophobicContact CG2-CG2 3.82Å; T305-L319 HydrophobicContact CG2-CD2 3.67Å; T305-V320 PolarHBondContact N-O 2.76Å; T305-V320 PolarHBondContact OG1-N 2.73Å
306I88.3Confident81.3Confident46 Ų4659.7 Ų59.724%0.23631%0.311CS..PPolyproline II helixtrans-101.4124.5172.1-57.7-179.4000108.2L32 Q173 P176 S304 M353L32-I306 HydrophobicContact CD1-CG2 3.89Å; L32-I306 HydrophobicContact CD2-CB 3.98Å; L32-I306 HydrophobicContact CD2-CG2 3.8Å; Q173-I306 PolarHBondContact NE2-O 2.57Å; Q173-I306 VanDerWaalsContact NE2-O 3.1Å; Q173-I306 VanDerWaalsContact OE1-N 3.15Å; P176-I306 HydrophobicContact CG-CD1 4.38Å; S304-I306 PolarHBondContact O-N 2.75Å; I306-M353 HydrophobicContact CD1-CE 3.84Å; I306-M353 HydrophobicContact CD1-SD 3.44Å; I306-M353 WeakPolarHBondContact CD1-SD 3.38Å; I306-M353 HydrophobicContact CG1-CE 4.24Å; I306-M353 HydrophobicContact CG1-SD 4.11Å
307V80Confident81.3Confident48 Ų4858.3 Ų58.329%0.29130%0.304SS..  trans-123.6126.6-178.6-171.90000108.7T305 D309 V310 L316 L319T305-V307 HydrophobicContact CG2-CG2 3.82Å; V307-D309 WeakPolarHBondContact CG1-O 3.42Å; V307-V310 HydrophobicContact CB-CG2 4.49Å; V307-V310 HydrophobicContact CG1-CG2 4.3Å; V307-L316 HydrophobicContact CG1-CD1 4.25Å; V307-L316 HydrophobicContact CG1-CD2 3.88Å; V307-L316 HydrophobicContact CG2-CD1 4.34Å; V307-L316 HydrophobicContact CG2-CD2 4.21Å; V307-L319 HydrophobicContact CG2-CD2 4.05Å
308K72.1Confident81.4Confident143 Ų14352.8 Ų52.862%0.62228%0.279SS*.SBendtrans-73.8-37.8175.4-82.4-175.6173.1167.10112.8L32L32-K308 HydrophobicContact CB-CD 4.2Å; L32-K308 HydrophobicContact CB-CG 4.36Å; L32-K308 VanDerWaalsContact O-CD 3.32Å; L32-K308 WeakPolarHBondContact O-CD 3.16Å; L32-K308 VanDerWaalsContact O-CE 3.26Å; L32-K308 WeakPolarHBondContact O-CE 3.33Å; L32-K308 PolarHBondContact O-NZ 3.45Å
309D68.2Low81.6Confident99 Ų9952 Ų5253%0.52927%0.274SS..  trans-138124-179.3-1735.3000111.1V307 T311V307-D309 WeakPolarHBondContact CG1-O 3.42Å; D309-T311 WeakPolarHBondContact OD1-CB 2.96Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.26Å; D309-T311 PolarHBondContact OD1-N 2.82Å; D309-T311 PolarHBondContact OD1-OG1 3.29Å; D309-T311 WeakPolarHBondContact OD2-CG2 3.35Å; D309-T311 PolarHBondContact OD2-OG1 3.43Å
310V66.9Low81.8Confident73 Ų7351.8 Ų51.844%0.44227%0.273SS..  trans-96.37.8-175.7-1660000111.3V307 N312 K313 L316V307-V310 HydrophobicContact CB-CG2 4.49Å; V307-V310 HydrophobicContact CG1-CG2 4.3Å; V310-N312 PolarHBondContact O-N 3.28Å; V310-N312 VanDerWaalsContact O-N 3.14Å; V310-K313 HydrophobicContact CG1-CD 4.16Å; V310-K313 VanDerWaalsContact CG1-CE 3.4Å; V310-K313 HydrophobicContact CG1-CG 3.67Å; V310-L316 HydrophobicContact CG1-CD1 4.45Å
311T63.2Low82Confident120 Ų12051 Ų5174%0.73627%0.272SS*.THydrogen-bonded Turntrans-54.6-33.8-176.946.20000113.9D309D309-T311 WeakPolarHBondContact OD1-CB 2.96Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.26Å; D309-T311 PolarHBondContact OD1-N 2.82Å; D309-T311 PolarHBondContact OD1-OG1 3.29Å; D309-T311 WeakPolarHBondContact OD2-CG2 3.35Å; D309-T311 PolarHBondContact OD2-OG1 3.43Å
312N68Low82.1Confident90 Ų9051 Ų5148%0.48127%0.272SS..THydrogen-bonded Turntrans-12275.7178.6-160-13.9000112.8V310 E314 V315V310-N312 PolarHBondContact O-N 3.28Å; V310-N312 VanDerWaalsContact O-N 3.14Å; N312-E314 PolarHBondContact O-N 2.78Å; N312-E314 VanDerWaalsContact O-N 3.13Å; N312-V315 HydrophobicContact CB-CG2 4.42Å; N312-V315 PolarHBondContact O-N 3.27Å; N312-V315 VanDerWaalsContact O-N 3.16Å
313K68.6Low82.2Confident125 Ų12555.9 Ų55.954%0.54329%0.29SS..G310 helixtrans-54.9-30.1179.1-68.7-173.2178.5-176.70113.7C243 V310 V315 L316C243-K313 WeakPolarHBondContact CB-O 3.29Å; V310-K313 HydrophobicContact CG1-CD 4.16Å; V310-K313 VanDerWaalsContact CG1-CE 3.4Å; V310-K313 HydrophobicContact CG1-CG 3.67Å; K313-V315 PolarHBondContact O-N 3Å; K313-L316 HydrophobicContact CB-CD1 4.48Å; K313-L316 HydrophobicContact CG-CD1 4.4Å; K313-L316 WeakPolarHBondContact O-CB 3.27Å; K313-L316 PolarHBondContact O-N 3.13Å; K313-L316 VanDerWaalsContact O-N 3.08Å
314E65.8Low82.3Confident123 Ų12355 Ų5558%0.57528%0.283SS*.G310 helixtrans-66.1-21.8-177.5-63.5-169.1173.300113.5C243 L244 N312C243-E314 WeakPolarHBondContact O-CA 3.11Å; L244-E314 WeakPolarHBondContact CD1-O 3.4Å; L244-E314 VanDerWaalsContact CG-O 3.24Å; L244-E314 WeakPolarHBondContact CG-O 3.39Å; N312-E314 PolarHBondContact O-N 2.78Å; N312-E314 VanDerWaalsContact O-N 3.13Å
315V69.4Low82.5Confident34 Ų3456.1 Ų56.121%0.20629%0.288CS..G310 helixtrans-87.5-11.3178-171.20000111.3N123 L124 P125 N312 K313 G317N123-V315 WeakPolarHBondContact O-CG1 3.45Å; L124-V315 HydrophobicContact CD2-CG1 4.39Å; P125-V315 VanDerWaalsContact CD-O 3.22Å; P125-V315 WeakPolarHBondContact CD-O 3.26Å; P125-V315 WeakPolarHBondContact CG-O 3.34Å; N312-V315 HydrophobicContact CB-CG2 4.42Å; N312-V315 PolarHBondContact O-N 3.27Å; N312-V315 VanDerWaalsContact O-N 3.16Å; K313-V315 PolarHBondContact O-N 3Å; V315-G317 VanDerWaalsContact C-N 3.29Å; V315-G317 PolarHBondContact O-N 3.37Å
316L76.1Confident82.7Confident20 Ų2054.3 Ų54.311%0.10528%0.276CS..SBendtrans-79.8-3.8-171.5-58.5175.9000114.7P125 V307 V310 K313 I318 L319P125-L316 VanDerWaalsContact CB-O 3.28Å; P125-L316 WeakPolarHBondContact CB-O 3.21Å; V307-L316 HydrophobicContact CG1-CD1 4.25Å; V307-L316 HydrophobicContact CG1-CD2 3.88Å; V307-L316 HydrophobicContact CG2-CD1 4.34Å; V307-L316 HydrophobicContact CG2-CD2 4.21Å; V310-L316 HydrophobicContact CG1-CD1 4.45Å; K313-L316 HydrophobicContact CB-CD1 4.48Å; K313-L316 HydrophobicContact CG-CD1 4.4Å; K313-L316 WeakPolarHBondContact O-CB 3.27Å; K313-L316 PolarHBondContact O-N 3.13Å; K313-L316 VanDerWaalsContact O-N 3.08Å; L316-I318 PolarHBondContact O-N 2.97Å; L316-L319 HydrophobicContact CB-CD2 3.72Å; L316-L319 HydrophobicContact CB-CG 4.2Å; L316-L319 HydrophobicContact CD1-CD1 4.09Å; L316-L319 HydrophobicContact CD1-CD2 4Å; L316-L319 HydrophobicContact CD1-CG 4.48Å; L316-L319 HydrophobicContact CG-CD2 4.37Å
317G86.2Confident83.1Confident0 Ų055.2 Ų55.20%028%0.279CS..  trans63.1-103.7176.300000112.5C243 V315C243-G317 PolarHBondContact N-O 2.77Å; V315-G317 VanDerWaalsContact C-N 3.29Å; V315-G317 PolarHBondContact O-N 3.37Å
318I90.9Very high83.9Confident4 Ų453 Ų532%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-118.5117.1179.8-53.7168.6000108.4F62 V128 L130 A240 D241 I242 L316 V320F62-I318 HydrophobicContact CE2-CD1 4.28Å; F62-I318 HydrophobicContact CE2-CG1 3.75Å; F62-I318 HydrophobicContact CZ-CG1 4.34Å; V128-I318 HydrophobicContact CB-CB 4.34Å; V128-I318 HydrophobicContact CB-CD1 4.36Å; V128-I318 HydrophobicContact CG1-CB 4.05Å; V128-I318 HydrophobicContact CG1-CD1 4.05Å; V128-I318 HydrophobicContact CG1-CG2 4.01Å; L130-I318 HydrophobicContact CD1-CD1 4.21Å; L130-I318 HydrophobicContact CD2-CG2 4.49Å; L130-I318 HydrophobicContact CG-CD1 3.93Å; A240-I318 HydrophobicContact CB-CG2 4Å; D241-I318 WeakPolarHBondContact O-CA 3.35Å; I242-I318 HydrophobicContact CG1-CG1 4.5Å; L316-I318 PolarHBondContact O-N 2.97Å; I318-V320 HydrophobicContact CG2-CG2 4.18Å
319L91.9Very high84.9Confident35 Ų3547 Ų4718%0.18324%0.241CC..EExtended strand (participates in β ladder)trans-91120.8173.8-63.2-178.4000109.8A240 D241 C243 T305 V307 L316A240-L319 CarbonylContact C-O 3.56Å; A240-L319 WeakPolarHBondContact CA-O 3.04Å; D241-L319 HydrophobicContact CB-CB 4.29Å; D241-L319 PolarHBondContact N-O 2.91Å; D241-L319 PolarHBondContact O-N 3.16Å; C243-L319 VanDerWaalsContact SG-CD1 3.6Å; T305-L319 HydrophobicContact CG2-CD2 3.67Å; V307-L319 HydrophobicContact CG2-CD2 4.05Å; L316-L319 HydrophobicContact CB-CD2 3.72Å; L316-L319 HydrophobicContact CB-CG 4.2Å; L316-L319 HydrophobicContact CD1-CD1 4.09Å; L316-L319 HydrophobicContact CD1-CD2 4Å; L316-L319 HydrophobicContact CD1-CG 4.48Å; L316-L319 HydrophobicContact CG-CD2 4.37Å
320V95.3Very high86Confident3 Ų342.7 Ų42.72%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-105.6128.3179.7-176.60000109.6V128 Q238 Y239 A289 A302 S304 T305 I318 Y322V128-V320 HydrophobicContact CG1-CG2 3.94Å; V128-V320 HydrophobicContact CG2-CG2 4.45Å; Q238-V320 HydrophobicContact CG-CG1 3.9Å; Y239-V320 WeakPolarHBondContact O-CA 3.21Å; A289-V320 HydrophobicContact CB-CG1 4.47Å; A289-V320 HydrophobicContact CB-CG2 3.73Å; A302-V320 HydrophobicContact CB-CB 4.35Å; A302-V320 HydrophobicContact CB-CG1 4.07Å; A302-V320 HydrophobicContact CB-CG2 3.83Å; S304-V320 WeakPolarHBondContact CA-O 2.79Å; T305-V320 PolarHBondContact N-O 2.76Å; T305-V320 PolarHBondContact OG1-N 2.73Å; I318-V320 HydrophobicContact CG2-CG2 4.18Å; V320-Y322 HydrophobicContact CG1-CD2 4.43Å; V320-Y322 HydrophobicContact CG1-CE2 3.71Å
321S96.1Very high86.8Confident39 Ų3940.7 Ų40.727%0.27321%0.207SC..EExtended strand (participates in β ladder)trans-137.8155.5173.366.30000111.5Y239Y239-S321 PolarHBondContact N-O 3.26Å; Y239-S321 PolarHBondContact O-N 3.22Å
322Y97.9Very high87.5Confident1 Ų142 Ų420%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-122.1144.4-179.5-67.9-97.7000111.5V236 R237 Q238 V254 L301 A302 S304 V320 F350 L352V236-Y322 HydrophobicContact CG1-CD1 4.44Å; R237-Y322 WeakPolarHBondContact O-CA 3.46Å; Q238-Y322 HydrophobicContact CB-CD1 4.01Å; Q238-Y322 HydrophobicContact CB-CE1 3.63Å; Q238-Y322 HydrophobicContact CG-CD1 4.29Å; Q238-Y322 HydrophobicContact CG-CE1 3.68Å; Q238-Y322 HydrophobicContact CG-CE2 4.35Å; Q238-Y322 PolarHBondContact NE2-OH 2.83Å; V254-Y322 HydrophobicContact CG2-CD1 4.41Å; V254-Y322 HydrophobicContact CG2-CE1 4.29Å; L301-Y322 WeakPolarHBondContact CB-OH 3.32Å; A302-Y322 VanDerWaalsContact O-CE2 3.24Å; A302-Y322 WeakPolarHBondContact O-CE2 3.38Å; A302-Y322 VanDerWaalsContact O-CZ 3.32Å; A302-Y322 PolarHBondContact O-OH 2.81Å; S304-Y322 WeakPolarHBondContact OG-CD2 3.29Å; V320-Y322 HydrophobicContact CG1-CD2 4.43Å; V320-Y322 HydrophobicContact CG1-CE2 3.71Å; Y322-F350 VanDerWaalsContact CB-CE1 3.49Å; Y322-F350 VanDerWaalsContact CB-CZ 3.4Å; Y322-F350 HydrophobicContact CD1-CZ 4.18Å; Y322-F350 HydrophobicContact CG-CE2 4.37Å; Y322-F350 HydrophobicContact CG-CZ 4.04Å; Y322-F350 PolarHBondContact O-N 3.37Å; Y322-L352 HydrophobicContact CD1-CD2 4.24Å; Y322-L352 HydrophobicContact CD2-CB 3.81Å; Y322-L352 HydrophobicContact CD2-CD2 4.48Å; Y322-L352 HydrophobicContact CE1-CD2 3.73Å; Y322-L352 HydrophobicContact CE2-CB 3.88Å; Y322-L352 HydrophobicContact CE2-CD2 4.01Å; Y322-L352 HydrophobicContact CG-CB 4.22Å
323R97.9Very high87.3Confident104 Ų10439.7 Ų39.739%0.39220%0.195SC..EExtended strand (participates in β ladder)trans-139.1140.6172.4-51.4-178.5-178-178.9-2.9111.5R237 Y239 E347 L348R237-R323 PolarHBondContact N-O 3.16Å; R237-R323 PolarHBondContact O-N 2.74Å; Y239-R323 HydrophobicContact CD2-CG 4.17Å; Y239-R323 HydrophobicContact CE2-CB 3.92Å; Y239-R323 HydrophobicContact CE2-CG 3.76Å; R323-E347 HydrophobicContact CB-CB 4.47Å; R323-E347 WeakPolarHBondContact CD-OE2 3.29Å; R323-E347 IonicContact NH1-OE2 2.88Å; R323-L348 CarbonylContact C-O 3.55Å; R323-L348 WeakPolarHBondContact CA-O 3.42Å; R323-L348 WeakPolarHBondContact CB-O 3.27Å
324V98.2Very high86.8Confident0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-85.8124.9163.7177.20000108L204 I215 V217 I234 V236 V326 E347 L348 F350L204-V324 HydrophobicContact CD1-CG2 4.13Å; L204-V324 HydrophobicContact CD2-CB 4.12Å; L204-V324 HydrophobicContact CD2-CG1 4.32Å; L204-V324 HydrophobicContact CD2-CG2 3.81Å; I215-V324 HydrophobicContact CG2-CG2 4.27Å; V217-V324 HydrophobicContact CG1-CG1 3.89Å; V217-V324 HydrophobicContact CG2-CG1 3.77Å; V217-V324 HydrophobicContact CG2-CG2 4.42Å; I234-V324 HydrophobicContact CG2-CG1 4.02Å; V236-V324 HydrophobicContact CG2-CG2 4.37Å; V324-V326 HydrophobicContact CG1-CG2 4.41Å; V324-E347 CarbonylContact O-C 3.59Å; V324-E347 VanDerWaalsContact O-CA 3.26Å; V324-E347 WeakPolarHBondContact O-CA 3.27Å; V324-L348 PolarHBondContact N-O 3.28Å; V324-L348 PolarHBondContact O-N 2.49Å; V324-F350 HydrophobicContact CG2-CD1 3.87Å; V324-F350 HydrophobicContact CG2-CE1 3.74Å
325K97.9Very high86.3Confident33 Ų3338.8 Ų38.814%0.14321%0.213CC..EExtended strand (participates in β ladder)trans-106.4124.2172.8-175.8177.6-165.4113.50109.8I234 S235 R237 V346 E347I234-K325 CarbonylContact C-O 3.53Å; I234-K325 WeakPolarHBondContact CA-O 3.29Å; S235-K325 PolarHBondContact N-O 3.25Å; S235-K325 PolarHBondContact O-N 3.14Å; R237-K325 VanDerWaalsContact NH1-CD 3.26Å; K325-V346 WeakPolarHBondContact CA-O 3.42Å; K325-E347 HydrophobicContact CB-CG 3.99Å; K325-E347 HydrophobicContact CD-CG 4.31Å; K325-E347 WeakPolarHBondContact CD-OE1 3.14Å; K325-E347 HydrophobicContact CG-CG 3.87Å; K325-E347 IonicContact NZ-OE1 2.62Å; K325-E347 PolarHBondContact NZ-OE1 3.38Å
326V97.9Very high85.6Confident0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-106126.9170.4-178.50000108L200 A202 V217 V219 I234 V324 S345 V346L200-V326 HydrophobicContact CD1-CG1 4.1Å; L200-V326 HydrophobicContact CD2-CG1 4.42Å; A202-V326 HydrophobicContact CB-CB 4.47Å; A202-V326 HydrophobicContact CB-CG2 3.95Å; V217-V326 HydrophobicContact CG1-CG2 3.91Å; V219-V326 HydrophobicContact CG1-CG1 3.92Å; V219-V326 HydrophobicContact CG2-CG1 3.9Å; V219-V326 HydrophobicContact CG2-CG2 4.01Å; I234-V326 HydrophobicContact CG1-CG2 4.46Å; I234-V326 HydrophobicContact CG2-CG2 4.47Å; V324-V326 HydrophobicContact CG1-CG2 4.41Å; V326-S345 CarbonylContact O-C 3.49Å; V326-S345 WeakPolarHBondContact O-CA 3.21Å; V326-S345 VanDerWaalsContact O-CB 3.27Å; V326-S345 WeakPolarHBondContact O-CB 3.44Å; V326-V346 HydrophobicContact CB-CG2 4.04Å; V326-V346 PolarHBondContact N-O 2.83Å; V326-V346 PolarHBondContact O-N 3.44Å
327K96.9Very high84.6Confident66 Ų6644.1 Ų44.129%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-130.8121.2-178.3-178.2-180-177.6-167.80110.6K233 D343 V344K233-K327 HydrophobicContact CB-CB 4.34Å; K233-K327 PolarHBondContact N-O 2.85Å; K233-K327 PolarHBondContact O-N 2.96Å; K327-D343 HydrophobicContact CD-CB 4.4Å; K327-D343 VanDerWaalsContact CE-CG 3.4Å; K327-D343 WeakPolarHBondContact CE-OD2 2.83Å; K327-D343 HydrophobicContact CG-CB 4.21Å; K327-D343 IonicContact NZ-OD2 2.69Å; K327-D343 PolarHBondContact NZ-OD2 2.69Å; K327-V344 CarbonylContact C-O 3.56Å; K327-V344 WeakPolarHBondContact CA-O 2.95Å
328L95.9Very high83.1Confident0 Ų045 Ų450%025%0.25CS..EExtended strand (participates in β ladder)trans-89121172-53.7-176.2000109.3L198 L200 V221 V229 L232 D343 V344L198-L328 HydrophobicContact CD1-CD1 4.46Å; L198-L328 HydrophobicContact CD2-CD1 3.98Å; L198-L328 HydrophobicContact CG-CD1 4.33Å; L200-L328 HydrophobicContact CB-CD1 3.96Å; L200-L328 HydrophobicContact CD1-CD1 4.08Å; L200-L328 HydrophobicContact CD1-CD2 4.18Å; L200-L328 HydrophobicContact CD1-CG 4.2Å; L200-L328 HydrophobicContact CD2-CD1 4.15Å; L200-L328 HydrophobicContact CD2-CG 3.98Å; L200-L328 HydrophobicContact CG-CD1 4.29Å; V221-L328 HydrophobicContact CG1-CD1 3.92Å; V221-L328 HydrophobicContact CG2-CD1 3.97Å; V221-L328 HydrophobicContact CG2-CD2 3.92Å; V229-L328 HydrophobicContact CG1-CB 3.98Å; V229-L328 HydrophobicContact CG1-CD2 4.3Å; V229-L328 HydrophobicContact CG2-CB 4.48Å; V229-L328 HydrophobicContact CG2-CD1 4.39Å; L232-L328 HydrophobicContact CD1-CD2 4.39Å; L232-L328 HydrophobicContact CD2-CD2 3.57Å; L232-L328 HydrophobicContact CG-CD2 3.56Å; L328-D343 VanDerWaalsContact O-CB 3.29Å; L328-D343 WeakPolarHBondContact O-CB 3.21Å; L328-V344 HydrophobicContact CB-CB 4.42Å; L328-V344 PolarHBondContact N-O 2.71Å; L328-V344 PolarHBondContact O-N 2.99Å
329V93.8Very high81.5Confident19 Ų1950.8 Ų50.812%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-90.1114.5175.2-1790000108.6K230 R231 K233 D343K230-V329 PolarHBondContact N-O 2.99Å; R231-V329 HydrophobicContact CG-CB 3.7Å; R231-V329 HydrophobicContact CG-CG1 4.27Å; R231-V329 HydrophobicContact CG-CG2 3.87Å; R231-V329 PolarHBondContact O-N 2.82Å; K233-V329 HydrophobicContact CD-CG2 4.18Å; K233-V329 HydrophobicContact CG-CG2 4.35Å; V329-D343 WeakPolarHBondContact CA-OD1 3.34Å
330I90.7Very high80.1Confident7 Ų754.4 Ų54.44%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-91.7142.9-173.7-63.3156.6000110F191 L198 K227 R332 D343 V344F191-I330 HydrophobicContact CE1-CD1 3.77Å; F191-I330 HydrophobicContact CE1-CG2 4.25Å; F191-I330 HydrophobicContact CZ-CD1 3.63Å; F191-I330 HydrophobicContact CZ-CG2 4.43Å; L198-I330 HydrophobicContact CD2-CD1 3.92Å; L198-I330 HydrophobicContact CD2-CG1 4.15Å; K227-I330 HydrophobicContact CB-CG2 3.81Å; K227-I330 HydrophobicContact CG-CG2 4.3Å; I330-R332 PolarHBondContact O-N 2.8Å; I330-R332 VanDerWaalsContact O-N 3.14Å; I330-D343 PolarHBondContact N-OD1 3.04Å; I330-V344 HydrophobicContact CD1-CB 4.4Å; I330-V344 HydrophobicContact CD1-CG2 3.73Å
331S85.1Confident78.6Confident32 Ų3255.4 Ų55.422%0.22431%0.309CS..  trans-64.1112.9173.7-171.30000110.8T228 K230 G333T228-S331 VanDerWaalsContact O-CB 3.29Å; T228-S331 WeakPolarHBondContact O-CB 3.48Å; T228-S331 PolarHBondContact O-N 3.2Å; K230-S331 WeakPolarHBondContact CE-OG 3.26Å; S331-G333 PolarHBondContact O-N 2.86Å
332R76.7Confident77.7Confident147 Ų14762.7 Ų62.756%0.55533%0.331SS*.  trans-72.1100.7169.2-68.8178.7-178.9-170.17.6109.3I330 G338I330-R332 PolarHBondContact O-N 2.8Å; I330-R332 VanDerWaalsContact O-N 3.14Å; R332-G338 WeakPolarHBondContact CD-O 3.39Å; R332-G338 PolarHBondContact NE-O 2.84Å; R332-G338 PolarHBondContact NH1-O 2.87Å; R332-G338 VanDerWaalsContact NH1-O 3.12Å
333G64.2Low77.4Confident41 Ų4164.6 Ų64.642%0.42334%0.341SS..  trans-100.4108-17900000113.1S331 S337S331-G333 PolarHBondContact O-N 2.86Å; G333-S337 WeakPolarHBondContact O-CB 3.39Å; G333-S337 PolarHBondContact O-OG 3.44Å
334G58.5Low77.1Confident58 Ų5860 Ų6060%0.59833%0.325SS*.SBendtrans89.8157.8176.300000115L336 S337 G338G334-L336 VanDerWaalsContact C-N 3.32Å; G334-L336 PolarHBondContact O-N 2.87Å; G334-S337 PolarHBondContact O-N 2.83Å; G334-S337 VanDerWaalsContact O-N 3.16Å; G334-G338 PolarHBondContact O-N 2.84Å
335L54.7Low77Confident171 Ų17162.4 Ų62.490%0.89534%0.341SS*.THydrogen-bonded Turntrans-55.4-39-169.8-112.383.7000114
336L55.3Low77Confident148 Ų14861.3 Ų61.378%0.77534%0.337SS*.THydrogen-bonded Turntrans-81.4-31.7-178.5-64.5172.5000112.8G334 G338G334-L336 VanDerWaalsContact C-N 3.32Å; G334-L336 PolarHBondContact O-N 2.87Å; L336-G338 VanDerWaalsContact C-N 3.34Å
337S54.1Low77Confident18 Ų1863.5 Ų63.513%0.12635%0.347CS..Hα-helixtrans-71.8-31.8-176.1-146.60000111.8K227 G333 G334 V339 E341K227-S337 PolarHBondContact NZ-OG 2.62Å; G333-S337 WeakPolarHBondContact O-CB 3.39Å; G333-S337 PolarHBondContact O-OG 3.44Å; G334-S337 PolarHBondContact O-N 2.83Å; G334-S337 VanDerWaalsContact O-N 3.16Å; S337-V339 VanDerWaalsContact C-N 3.26Å; S337-V339 PolarHBondContact O-N 2.81Å; S337-E341 VanDerWaalsContact O-CB 3.29Å; S337-E341 WeakPolarHBondContact O-CB 3.47Å; S337-E341 WeakPolarHBondContact O-CG 3.44Å; S337-E341 PolarHBondContact O-N 2.9Å; S337-E341 VanDerWaalsContact O-N 3.13Å; S337-E341 PolarHBondContact OG-OE1 3.41Å; S337-E341 PolarHBondContact OG-OE2 3.25Å
338G55.3Low77Confident18 Ų1860.4 Ų60.419%0.18633%0.334CS..Hα-helixtrans-69.5-17.2-176.200000116R332 G334 L336R332-G338 WeakPolarHBondContact CD-O 3.39Å; R332-G338 PolarHBondContact NE-O 2.84Å; R332-G338 PolarHBondContact NH1-O 2.87Å; R332-G338 VanDerWaalsContact NH1-O 3.12Å; G334-G338 PolarHBondContact O-N 2.84Å; L336-G338 VanDerWaalsContact C-N 3.34Å
339V57.7Low77Confident126 Ų12664.4 Ų64.476%0.76436%0.36SS*.Hα-helixtrans-97.4-34-178.5-1760000111.7S337S337-V339 VanDerWaalsContact C-N 3.26Å; S337-V339 PolarHBondContact O-N 2.81Å
340L61.2Low77.1Confident112 Ų11263.9 Ų63.959%0.58636%0.356SS*.Hα-helixtrans-97.5-26.2-172.5-62.8175.1000113.5L192 R342L192-L340 HydrophobicContact CD1-CB 4.42Å; L192-L340 HydrophobicContact CD1-CD1 4.17Å; L340-R342 PolarHBondContact O-N 2.99Å
341E65.8Low77.4Confident24 Ų2464.8 Ų64.811%0.11236%0.362CS..  trans-81.4113-175.6-65.7-175.5154.800111.4K227 S337K227-E341 WeakPolarHBondContact CE-OE1 3.23Å; K227-E341 VanDerWaalsContact NZ-CD 3.27Å; K227-E341 IonicContact NZ-OE1 3.77Å; K227-E341 PolarHBondContact NZ-OE1 2.94Å; K227-E341 IonicContact NZ-OE2 3.59Å; K227-E341 PolarHBondContact NZ-OE2 2.91Å; S337-E341 VanDerWaalsContact O-CB 3.29Å; S337-E341 WeakPolarHBondContact O-CB 3.47Å; S337-E341 WeakPolarHBondContact O-CG 3.44Å; S337-E341 PolarHBondContact O-N 2.9Å; S337-E341 VanDerWaalsContact O-N 3.13Å; S337-E341 PolarHBondContact OG-OE1 3.41Å; S337-E341 PolarHBondContact OG-OE2 3.25Å
342R77.1Confident77.9Confident192 Ų19263.3 Ų63.373%0.72535%0.351SS*.PPolyproline II helixtrans-92.6141.5176.6-64.3-174.2-179.2178.20.7110.1L340L340-R342 PolarHBondContact O-N 2.99Å
343D90.1Very high78.8Confident41 Ų4156.3 Ų56.322%0.21933%0.325CS..PPolyproline II helixtrans-55.2150168.5-63.4-31.4000111K327 L328 V329 I330K327-D343 HydrophobicContact CD-CB 4.4Å; K327-D343 VanDerWaalsContact CE-CG 3.4Å; K327-D343 WeakPolarHBondContact CE-OD2 2.83Å; K327-D343 HydrophobicContact CG-CB 4.21Å; K327-D343 IonicContact NZ-OD2 2.69Å; K327-D343 PolarHBondContact NZ-OD2 2.69Å; L328-D343 VanDerWaalsContact O-CB 3.29Å; L328-D343 WeakPolarHBondContact O-CB 3.21Å; V329-D343 WeakPolarHBondContact CA-OD1 3.34Å; I330-D343 PolarHBondContact N-OD1 3.04Å
344V92.9Very high80.1Confident8 Ų856.2 Ų56.25%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-95.9134.9176.3175.40000108.8T187 R189 L198 L200 K327 L328 I330T187-V344 HydrophobicContact CG2-CG1 3.62Å; R189-V344 HydrophobicContact CB-CG2 3.55Å; R189-V344 HydrophobicContact CG-CG2 3.76Å; L198-V344 HydrophobicContact CD2-CG2 4.15Å; L200-V344 HydrophobicContact CB-CG1 4.14Å; L200-V344 HydrophobicContact CD2-CG1 3.98Å; K327-V344 CarbonylContact C-O 3.56Å; K327-V344 WeakPolarHBondContact CA-O 2.95Å; L328-V344 HydrophobicContact CB-CB 4.42Å; L328-V344 PolarHBondContact N-O 2.71Å; L328-V344 PolarHBondContact O-N 2.99Å; I330-V344 HydrophobicContact CD1-CB 4.4Å; I330-V344 HydrophobicContact CD1-CG2 3.73Å
345S95.5Very high81.6Confident50 Ų5056.4 Ų56.435%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-148.6148.5177.369.80000113.2V326V326-S345 CarbonylContact O-C 3.49Å; V326-S345 WeakPolarHBondContact O-CA 3.21Å; V326-S345 VanDerWaalsContact O-CB 3.27Å; V326-S345 WeakPolarHBondContact O-CB 3.44Å
346V97.2Very high83.1Confident9 Ų952.6 Ų52.66%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-125.6157.6171.2-65.50000110.6V185 T187 L200 A202 K325 V326V185-V346 HydrophobicContact CG1-CB 3.55Å; V185-V346 HydrophobicContact CG1-CG1 4.18Å; V185-V346 HydrophobicContact CG1-CG2 3.68Å; V185-V346 HydrophobicContact CG2-CB 4.4Å; V185-V346 HydrophobicContact CG2-CG1 4.47Å; T187-V346 HydrophobicContact CG2-CG1 3.39Å; L200-V346 HydrophobicContact CD2-CB 4.47Å; L200-V346 HydrophobicContact CD2-CG1 4.08Å; L200-V346 HydrophobicContact CD2-CG2 3.85Å; L200-V346 HydrophobicContact CG-CG1 4.39Å; L200-V346 HydrophobicContact CG-CG2 4.16Å; A202-V346 HydrophobicContact CB-CG2 3.93Å; K325-V346 WeakPolarHBondContact CA-O 3.42Å; V326-V346 HydrophobicContact CB-CG2 4.04Å; V326-V346 PolarHBondContact N-O 2.83Å; V326-V346 PolarHBondContact O-N 3.44Å
347E97.4Very high84.2Confident46 Ų4649.4 Ų49.422%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-128129.8174.8-64.6-169.1179.800110Y239 K251 R323 V324 K325Y239-E347 PolarHBondContact OH-OE1 3.42Å; Y239-E347 PolarHBondContact OH-OE2 3.4Å; K251-E347 IonicContact NZ-OE1 3.66Å; R323-E347 HydrophobicContact CB-CB 4.47Å; R323-E347 WeakPolarHBondContact CD-OE2 3.29Å; R323-E347 IonicContact NH1-OE2 2.88Å; V324-E347 CarbonylContact O-C 3.59Å; V324-E347 VanDerWaalsContact O-CA 3.26Å; V324-E347 WeakPolarHBondContact O-CA 3.27Å; K325-E347 HydrophobicContact CB-CG 3.99Å; K325-E347 HydrophobicContact CD-CG 4.31Å; K325-E347 WeakPolarHBondContact CD-OE1 3.14Å; K325-E347 HydrophobicContact CG-CG 3.87Å; K325-E347 IonicContact NZ-OE1 2.62Å; K325-E347 PolarHBondContact NZ-OE1 3.38Å
348L97.3Very high84.9Confident1 Ų154.8 Ų54.81%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-108.9124175.6-63.3101.5000110P183 V185 A202 L204 R323 V324P183-L348 HydrophobicContact CB-CB 4.49Å; P183-L348 HydrophobicContact CB-CD2 4.11Å; P183-L348 WeakPolarHBondContact O-CD2 3.31Å; V185-L348 HydrophobicContact CB-CG 4.34Å; V185-L348 HydrophobicContact CG1-CD1 3.75Å; V185-L348 HydrophobicContact CG1-CD2 3.96Å; V185-L348 HydrophobicContact CG1-CG 3.51Å; A202-L348 HydrophobicContact CB-CD1 3.73Å; A202-L348 WeakPolarHBondContact O-CD2 3.19Å; L204-L348 HydrophobicContact CD1-CB 4.21Å; L204-L348 HydrophobicContact CG-CB 4.27Å; L204-L348 HydrophobicContact CG-CD2 4.21Å; R323-L348 CarbonylContact C-O 3.55Å; R323-L348 WeakPolarHBondContact CA-O 3.42Å; R323-L348 WeakPolarHBondContact CB-O 3.27Å; V324-L348 PolarHBondContact N-O 3.28Å; V324-L348 PolarHBondContact O-N 2.49Å
349P96.7Very high84.9Confident85 Ų8562.6 Ų62.655%0.55233%0.333SS*.EExtended strand (participates in β ladder)trans-72.3149.7171.332.5-33.8000110.8
350F96.6Very high84.1Confident7 Ų763.8 Ų63.83%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-152.516616974-86.1000110L204 E207 Y209 I215 V236 Y322 V324 L352L204-F350 HydrophobicContact CD1-CB 3.72Å; L204-F350 HydrophobicContact CD1-CD1 4.26Å; L204-F350 HydrophobicContact CD1-CG 4.25Å; E207-F350 WeakPolarHBondContact O-CA 3.26Å; E207-F350 WeakPolarHBondContact O-CB 3.36Å; Y209-F350 HydrophobicContact CD2-CB 4.39Å; Y209-F350 AromaticContact CD2-CD2 3.71Å; Y209-F350 HydrophobicContact CD2-CD2 3.71Å; Y209-F350 HydrophobicContact CD2-CE2 4.36Å; Y209-F350 HydrophobicContact CD2-CG 4.33Å; Y209-F350 HydrophobicContact CE2-CB 4.41Å; Y209-F350 HydrophobicContact CE2-CD2 4.37Å; I215-F350 HydrophobicContact CD1-CD2 4.38Å; I215-F350 HydrophobicContact CD1-CE1 4.27Å; I215-F350 HydrophobicContact CD1-CE2 3.61Å; I215-F350 HydrophobicContact CD1-CZ 3.54Å; V236-F350 HydrophobicContact CG1-CE1 3.81Å; V236-F350 HydrophobicContact CG1-CZ 3.55Å; Y322-F350 VanDerWaalsContact CB-CE1 3.49Å; Y322-F350 VanDerWaalsContact CB-CZ 3.4Å; Y322-F350 HydrophobicContact CD1-CZ 4.18Å; Y322-F350 HydrophobicContact CG-CE2 4.37Å; Y322-F350 HydrophobicContact CG-CZ 4.04Å; Y322-F350 PolarHBondContact O-N 3.37Å; V324-F350 HydrophobicContact CG2-CD1 3.87Å; V324-F350 HydrophobicContact CG2-CE1 3.74Å; F350-L352 HydrophobicContact CE2-CB 3.97Å
351V95.7Very high82.9Confident26 Ų2664.1 Ų64.116%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-106.2125.4-179177.70000109E207 L208 Y209 M353E207-V351 HydrophobicContact CG-CG2 4.42Å; E207-V351 PolarHBondContact O-N 3.25Å; L208-V351 WeakPolarHBondContact CA-O 3.44Å; L208-V351 HydrophobicContact CD1-CB 4.02Å; L208-V351 HydrophobicContact CD1-CG1 3.58Å; Y209-V351 PolarHBondContact N-O 2.86Å; V351-M353 HydrophobicContact CG1-CG 3.64Å; V351-M353 HydrophobicContact CG1-SD 3.56Å; V351-M353 VanDerWaalsContact CG1-SD 3.56Å
352L96.2Very high81.7Confident1 Ų169.7 Ų69.71%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-114117.4175-175.768.1000109.2Y209 P277 L301 S303 S304 Y322 F350Y209-L352 WeakPolarHBondContact O-CA 3.31Å; P277-L352 HydrophobicContact CG-CD2 4.43Å; L301-L352 HydrophobicContact CD1-CD2 4.42Å; S303-L352 CarbonylContact C-O 3.42Å; S303-L352 WeakPolarHBondContact CA-O 3.15Å; S304-L352 PolarHBondContact N-O 3.32Å; S304-L352 PolarHBondContact OG-N 2.82Å; Y322-L352 HydrophobicContact CD1-CD2 4.24Å; Y322-L352 HydrophobicContact CD2-CB 3.81Å; Y322-L352 HydrophobicContact CD2-CD2 4.48Å; Y322-L352 HydrophobicContact CE1-CD2 3.73Å; Y322-L352 HydrophobicContact CE2-CB 3.88Å; Y322-L352 HydrophobicContact CE2-CD2 4.01Å; Y322-L352 HydrophobicContact CG-CB 4.22Å; F350-L352 HydrophobicContact CE2-CB 3.97Å
353M95Very high79.6Confident0 Ų065.9 Ų65.90%037%0.374CS..EExtended strand (participates in β ladder)trans-145.6172.6-175.8-63.4-175.68600112.6Q173 Y174 A175 L208 Y209 Y210 H211 I306 V351Q173-M353 HydrophobicContact CB-CE 3.52Å; Y174-M353 WeakPolarHBondContact O-CE 3.42Å; A175-M353 HydrophobicContact CB-CB 4Å; A175-M353 HydrophobicContact CB-SD 4.48Å; L208-M353 HydrophobicContact CD1-CB 4.34Å; L208-M353 HydrophobicContact CD1-CG 4.47Å; Y209-M353 PolarHBondContact O-N 2.59Å; Y210-M353 VanDerWaalsContact CA-O 3.27Å; Y210-M353 WeakPolarHBondContact CA-O 3.45Å; H211-M353 PolarHBondContact CD2-O 3.07Å; H211-M353 PolarHBondContact N-O 3.19Å; I306-M353 HydrophobicContact CD1-CE 3.84Å; I306-M353 HydrophobicContact CD1-SD 3.44Å; I306-M353 WeakPolarHBondContact CD1-SD 3.38Å; I306-M353 HydrophobicContact CG1-CE 4.24Å; I306-M353 HydrophobicContact CG1-SD 4.11Å; V351-M353 HydrophobicContact CG1-CG 3.64Å; V351-M353 HydrophobicContact CG1-SD 3.56Å; V351-M353 VanDerWaalsContact CG1-SD 3.56Å
354H91.9Very high76.9Confident40 Ų4074.6 Ų74.619%0.18540%0.404CS..BIsolated β-bridgetrans-81.3145.3168.3-73.9-68.3000110.6Y174 A175 H211 D291Y174-H354 HydrophobicContact CD1-CB 3.56Å; Y174-H354 HydrophobicContact CE1-CB 3.66Å; A175-H354 PolarHBondContact N-O 3.12Å; H211-H354 AromaticContact CD2-CD2 3.69Å; H211-H354 AromaticContact CD2-CE1 3.37Å; H211-H354 PolarHBondContact CD2-CE1 3.25Å; H211-H354 AromaticContact CD2-CG 3.68Å; H211-H354 AromaticContact CD2-ND1 3.49Å; H211-H354 PolarHBondContact CD2-ND1 2.89Å; H211-H354 AromaticContact CD2-NE2 3.5Å; H211-H354 PolarHBondContact CD2-NE2 3.1Å; H211-H354 AromaticContact CG-CE1 4Å; H211-H354 AromaticContact NE2-CD2 4Å; H211-H354 AromaticContact NE2-NE2 3.85Å; D291-H354 IonicContact OD2-CD2 3.2Å; D291-H354 IonicContact OD2-CE1 2.76Å; D291-H354 IonicContact OD2-NE2 2.73Å; D291-H354 PolarHBondContact OD2-NE2 2.83Å
355P89.8Confident74.2Confident62 Ų6279.6 Ų79.640%0.40344%0.437SS..PPolyproline II helixtrans-66.8149.717129.5-34.2000110.5Y174 Y210Y174-P355 WeakPolarHBondContact CD1-O 3.21Å; Y174-P355 WeakPolarHBondContact CE1-O 3.47Å; Y210-P355 HydrophobicContact CD1-CB 3.85Å; Y210-P355 HydrophobicContact CD1-CG 4.36Å; Y210-P355 VanDerWaalsContact CE1-CA 3.49Å; Y210-P355 HydrophobicContact CE1-CB 3.73Å; Y210-P355 HydrophobicContact CE2-CB 4.45Å; Y210-P355 HydrophobicContact CG-CB 4.27Å
356K85.5Confident71.3Confident91 Ų9186.2 Ų86.240%0.39646%0.463SS..PPolyproline II helixtrans-60.7132.8168.9-68.8-172.5179.7-166.50108.8Y174 A175 E177 T358Y174-K356 HydrophobicContact CG-CG 4.38Å; A175-K356 WeakPolarHBondContact O-CE 3.44Å; E177-K356 HydrophobicContact CG-CD 4.39Å; E177-K356 IonicContact OE1-NZ 3.63Å; E177-K356 PolarHBondContact OE1-NZ 2.79Å; K356-T358 PolarHBondContact O-N 2.88Å
357P79.8Confident68.6Low80 Ų8091.1 Ų91.152%0.51950%0.497SS..PPolyproline II helixtrans-57134.4171.7-23.232.6000109.8Y174 E359Y174-P357 HydrophobicContact CE1-CG 4.42Å; Y174-P357 HydrophobicContact CE2-CG 3.71Å; Y174-P357 VanDerWaalsContact CZ-CD 3.47Å; Y174-P357 WeakPolarHBondContact OH-CG 3.44Å; P357-E359 PolarHBondContact O-N 3.15Å
358T68.3Low65.7Low132 Ų13293.5 Ų93.581%0.8152%0.524SS*.  trans-64.1110.6172.8-48.30000108.5K356 L360K356-T358 PolarHBondContact O-N 2.88Å; T358-L360 PolarHBondContact O-N 2.82Å; T358-L360 VanDerWaalsContact O-N 3.1Å
359E54.9Low63.4Low181 Ų18199.8 Ų99.885%0.84656%0.563SS**  trans-63.8112.2168.4-71.1-173.4176.100107.9P357P357-E359 PolarHBondContact O-N 3.15Å
360L41.3Very low60.8Low152 Ų152101.4 Ų101.480%0.79657%0.573SS**  trans-62.3125.2165-73.1167.1000106.6T358 I362T358-L360 PolarHBondContact O-N 2.82Å; T358-L360 VanDerWaalsContact O-N 3.1Å; L360-I362 PolarHBondContact O-N 3.07Å
361P36.1Very low58Low118 Ų118109 Ų10977%0.76661%0.614SS**  trans-60.3113.2178.3-1.37.2000108.1S363P361-S363 PolarHBondContact O-N 2.8Å
362I40.8Very low55.6Low142 Ų142112.7 Ų112.773%0.72864%0.641SS**  trans-66.7104.3166.5-60.1171.7000105L360 R364L360-I362 PolarHBondContact O-N 3.07Å; I362-R364 PolarHBondContact O-N 2.89Å
363S33.1Very low53.2Low111 Ų111120.1 Ų120.178%0.77668%0.681SS**  trans-5897.1171.531.30000109.2P361P361-S363 PolarHBondContact O-N 2.8Å
364R33.9Very low50.8Low224 Ų224125.8 Ų125.885%0.84572%0.717SS**  trans-66.1125.5159.8-107.2-179.4-176172.21.6107.1I362 Q366I362-R364 PolarHBondContact O-N 2.89Å; R364-Q366 PolarHBondContact O-N 2.88Å; R364-Q366 VanDerWaalsContact O-N 3.1Å
365P35.8Very low48.5Very low114 Ų114129.5 Ų129.574%0.7475%0.745SS**  trans-66.7112.9165.326.8-28.4000107.5S367P365-S367 PolarHBondContact O-N 3.07Å
366Q34.2Very low46.5Very low189 Ų189134.3 Ų134.388%0.88377%0.766SS**  trans-75.9101.3165.4-73.1179.3-1000107.4R364R364-Q366 PolarHBondContact O-N 2.88Å; R364-Q366 VanDerWaalsContact O-N 3.1Å
367S40.3Very low44.3Very low112 Ų112136.9 Ų136.978%0.78378%0.784SS**  trans-108.182.8161.7-47.10000107.3P365P365-S367 PolarHBondContact O-N 3.07Å
368A37.5Very low42.7Very low95 Ų95138.7 Ų138.779%0.78579%0.794SS**  trans-95.1111.1162.100000106.9
369V49.1Very low41.3Very low133 Ų133139 Ų13981%0.80679%0.79SS**  trans-128.7125162.9-1720000106.3
370P40.9Very low40.5Very low119 Ų119138 Ų13877%0.77379%0.79SS**  trans-80.1153-17631.6-31.9000112.5
371D38.6Very low40.8Very low167 Ų167137.3 Ų137.389%0.89379%0.786SS**  trans-56.5133.9179.8-68.8-54.4000114.7
372S45.3Very low40.5Very low104 Ų104140.6 Ų140.673%0.72779%0.791SS**  trans-168.2118140.256.90000112.4
373D45.6Very low40.3Very low157 Ų157142.1 Ų142.184%0.8479%0.792SS**  trans71.7119.7151.9-59.1-22.3000123.1
374P43.6Very low40.2Very low118 Ų118145.3 Ų145.377%0.76680%0.795SS**  trans-112.6-175.8168.143.2-34.8000112.6
375P44.2Very low40.1Very low118 Ų118140.2 Ų140.277%0.76679%0.789SS**  cis-126.4166.2-2633.7-17.6000113.6
376I48.2Very low40Very low163 Ų163140 Ų14084%0.83678%0.781SS**  trans-136.9122158.1-62.8179.4000109.6
377D38.8Very low39.9Very low145 Ų145136.8 Ų136.878%0.77578%0.78SS**  trans-82114.4173.8-178.511.4000110
378T46.2Very low39.4Very low118 Ų118138.8 Ų138.872%0.72478%0.775SS**  trans-147.4107.5160.5380000109
379N40.2Very low39.7Very low139 Ų139138.6 Ų138.674%0.74377%0.768SS**  trans-15.3129.5154.7-62.2-68.7000114.2
380L38Very low39.7Very low161 Ų161140.9 Ų140.984%0.84377%0.77SS**  158.4125.3129.9-83.2153000111.5
381I46.1Very low40.3Very low136 Ų136139.5 Ų139.570%0.69776%0.756SS**  trans88.7100163.6-49160.3000115.8F383I381-F383 HydrophobicContact CG2-CD2 3.95Å; I381-F383 HydrophobicContact CG2-CE2 3.73Å; I381-F383 PolarHBondContact O-N 2.69Å
382E30.9Very low41.4Very low187 Ų187133.6 Ų133.687%0.87472%0.724SS**  trans-54.5113.8158.7-67167.816100110.4
383F35.4Very low43.2Very low174 Ų174133.8 Ų133.876%0.76372%0.717SS**  trans-107.692.7151.4-82.7-83.9000107.2I381 T385I381-F383 HydrophobicContact CG2-CD2 3.95Å; I381-F383 HydrophobicContact CG2-CE2 3.73Å; I381-F383 PolarHBondContact O-N 2.69Å; F383-T385 PolarHBondContact O-N 3.35Å; F383-T385 PolarHBondContact O-OG1 3.25Å
384E30.7Very low45.4Very low179 Ų179127 Ų12784%0.83668%0.68SS**  trans-57.784.3153.6-72.8-171152.900107.4N386E384-N386 PolarHBondContact O-N 2.87Å
385T33.5Very low47.7Very low116 Ų116124.7 Ų124.771%0.71266%0.664SS**  trans-77.982.9170.6-42.30000105.4F383 S387F383-T385 PolarHBondContact O-N 3.35Å; F383-T385 PolarHBondContact O-OG1 3.25Å; T385-S387 VanDerWaalsContact C-N 3.27Å; T385-S387 PolarHBondContact O-N 3.26Å
386N32.1Very low50Low109 Ų109122.2 Ų122.258%0.58364%0.641SS**  trans-4396.4159.1-108.37.1000108.1E384 F388E384-N386 PolarHBondContact O-N 2.87Å; N386-F388 HydrophobicContact CB-CB 4.26Å; N386-F388 HydrophobicContact CB-CD2 3.67Å; N386-F388 HydrophobicContact CB-CE2 4.46Å; N386-F388 HydrophobicContact CB-CG 4.33Å; N386-F388 VanDerWaalsContact CG-CE2 3.47Å; N386-F388 WeakPolarHBondContact ND2-CD2 3.38Å; N386-F388 PolarHBondContact O-N 2.94Å; N386-F388 WeakPolarHBondContact OD1-CD2 3.4Å; N386-F388 WeakPolarHBondContact OD1-CE2 3.45Å
387S32.6Very low52.2Low122 Ų122117.5 Ų117.585%0.85362%0.616SS**  trans-74.142.7161.240.60000109.6T385 S389T385-S387 VanDerWaalsContact C-N 3.27Å; T385-S387 PolarHBondContact O-N 3.26Å; S387-S389 PolarHBondContact O-N 3.48Å
388F31Very low54.8Low155 Ų155115.1 Ų115.168%0.6860%0.603SS**  trans-75.2118.8173.9-88.5-107.6000108.7N386N386-F388 HydrophobicContact CB-CB 4.26Å; N386-F388 HydrophobicContact CB-CD2 3.67Å; N386-F388 HydrophobicContact CB-CE2 4.46Å; N386-F388 HydrophobicContact CB-CG 4.33Å; N386-F388 VanDerWaalsContact CG-CE2 3.47Å; N386-F388 WeakPolarHBondContact ND2-CD2 3.38Å; N386-F388 PolarHBondContact O-N 2.94Å; N386-F388 WeakPolarHBondContact OD1-CD2 3.4Å; N386-F388 WeakPolarHBondContact OD1-CE2 3.45Å
389S42.6Very low57.1Low91 Ų91110 Ų11064%0.63657%0.571SS**SBendtrans69.555.4146.266.30000119.6S387S387-S389 PolarHBondContact O-N 3.48Å
390Q48.6Very low59.5Low180 Ų180106.4 Ų106.484%0.84156%0.56SS**SBendtrans-106.4-6157.1-98.8-174.311.900114.9
391D54.6Low61.9Low90 Ų9099.9 Ų99.948%0.48152%0.524SS..SBendtrans-111.85.6-172.1-97.6-38.7000114.8R100 R104R100-D391 IonicContact NH2-OD1 2.75Å; R100-D391 PolarHBondContact NH2-OD1 3.11Å; R104-D391 PolarHBondContact NE-O 2.83Å; R104-D391 PolarHBondContact NH2-O 2.64Å
392D60.7Low63.8Low43 Ų4399.2 Ų99.223%0.2352%0.521CS..  trans-110.817.9-169.2-73.3-41.8000115.7K107 K108 F394K107-D392 IonicContact NZ-OD2 2.71Å; K108-D392 PolarHBondContact NZ-O 2.79Å; D392-F394 PolarHBondContact O-N 3.06Å
393D84.8Confident66.3Low108 Ų10897 Ų9758%0.57851%0.505SS*.  trans-7669.4176-73.9-14.3000111.7G6 T7G6-D393 CarbonylContact C-O 3.54Å; G6-D393 WeakPolarHBondContact CA-O 3.4Å; T7-D393 PolarHBondContact N-O 3.06Å
394F89.8Confident68.3Low16 Ų1690.4 Ų90.47%0.0748%0.477CS..EExtended strand (participates in β ladder)trans-84.5130.2166-69.7-68.4000111.4T7 V9 L101 R104 L105 K108 D392 F396T7-F394 HydrophobicContact CG2-CD1 4.08Å; T7-F394 HydrophobicContact CG2-CE1 3.94Å; T7-F394 WeakPolarHBondContact O-CA 3.45Å; V9-F394 HydrophobicContact CG2-CD1 3.42Å; V9-F394 VanDerWaalsContact CG2-CD1 3.42Å; V9-F394 HydrophobicContact CG2-CE1 3.67Å; V9-F394 HydrophobicContact CG2-CG 4.38Å; L101-F394 HydrophobicContact CD1-CE1 3.63Å; L101-F394 HydrophobicContact CD1-CZ 4.1Å; R104-F394 HydrophobicContact CB-CE2 3.64Å; R104-F394 HydrophobicContact CB-CZ 3.39Å; L105-F394 HydrophobicContact CD2-CD1 4.48Å; L105-F394 HydrophobicContact CD2-CD2 4.4Å; L105-F394 HydrophobicContact CD2-CE1 4.18Å; L105-F394 HydrophobicContact CD2-CE2 4.03Å; L105-F394 HydrophobicContact CD2-CZ 3.88Å; L105-F394 HydrophobicContact CG-CE1 4.31Å; L105-F394 HydrophobicContact CG-CE2 4.34Å; L105-F394 HydrophobicContact CG-CZ 3.85Å; K108-F394 HydrophobicContact CB-CE2 4.48Å; K108-F394 HydrophobicContact CD-CB 4.29Å; K108-F394 HydrophobicContact CD-CD2 3.46Å; K108-F394 VanDerWaalsContact CD-CD2 3.46Å; K108-F394 HydrophobicContact CD-CE2 4.22Å; K108-F394 HydrophobicContact CD-CG 4.32Å; D392-F394 PolarHBondContact O-N 3.06Å; F394-F396 HydrophobicContact CB-CE1 4.38Å; F394-F396 HydrophobicContact CB-CE2 4.32Å; F394-F396 HydrophobicContact CB-CZ 4.12Å
395V92Very high70.4Confident69 Ų6992.1 Ų92.142%0.41848%0.482SS..EExtended strand (participates in β ladder)trans-101.1109.3166.3-178.10000107.5T7 R8 V9 E397T7-V395 PolarHBondContact O-N 3.35Å; R8-V395 WeakPolarHBondContact CA-O 3.38Å; V9-V395 PolarHBondContact N-O 3.21Å; V395-E397 HydrophobicContact CG1-CG 4.33Å
396F93.3Very high71.8Confident66 Ų6690.8 Ų90.829%0.28949%0.491SS..EExtended strand (participates in β ladder)trans-85.2122.3178.3-65.5-66.7000110.8V9 K11 Y22 L105 K108 L109 F394V9-F396 HydrophobicContact CB-CD1 3.92Å; V9-F396 HydrophobicContact CB-CE1 4.13Å; V9-F396 HydrophobicContact CG1-CD1 4Å; V9-F396 HydrophobicContact CG1-CE1 4.04Å; V9-F396 CarbonylContact O-C 3.56Å; V9-F396 WeakPolarHBondContact O-CA 3.16Å; K11-F396 HydrophobicContact CD-CB 4.26Å; Y22-F396 AromaticContact CD1-CD1 3.85Å; Y22-F396 HydrophobicContact CD1-CD1 3.85Å; Y22-F396 AromaticContact CD1-CE1 3.61Å; Y22-F396 HydrophobicContact CD1-CE1 3.61Å; Y22-F396 AromaticContact CE1-CD1 3.79Å; Y22-F396 HydrophobicContact CE1-CD1 3.79Å; Y22-F396 AromaticContact CE1-CE1 3.6Å; Y22-F396 HydrophobicContact CE1-CE1 3.6Å; Y22-F396 HydrophobicContact CE1-CZ 4.26Å; L105-F396 HydrophobicContact CD2-CE1 3.82Å; L105-F396 HydrophobicContact CD2-CZ 4.21Å; K108-F396 HydrophobicContact CD-CE2 4.13Å; K108-F396 HydrophobicContact CD-CZ 4.05Å; L109-F396 HydrophobicContact CD2-CZ 4.36Å; F394-F396 HydrophobicContact CB-CE1 4.38Å; F394-F396 HydrophobicContact CB-CE2 4.32Å; F394-F396 HydrophobicContact CB-CZ 4.12Å
397E93.9Very high73.1Confident64 Ų6489 Ų8930%0.29948%0.48SS..EExtended strand (participates in β ladder)trans-117.1155.9178.4-66.3178.2-160.800110.5R8 V9 F10 K11 V395R8-E397 WeakPolarHBondContact CD-OE1 3.49Å; V9-E397 PolarHBondContact O-N 2.89Å; F10-E397 CarbonylContact C-O 3.48Å; F10-E397 VanDerWaalsContact CA-O 3.31Å; F10-E397 WeakPolarHBondContact CA-O 3.46Å; F10-E397 HydrophobicContact CD1-CB 3.99Å; F10-E397 HydrophobicContact CE1-CB 4.19Å; F10-E397 WeakPolarHBondContact CE1-OE2 3.46Å; K11-E397 PolarHBondContact N-O 2.96Å; V395-E397 HydrophobicContact CG1-CG 4.33Å
398D94Very high74.1Confident95 Ų9587.4 Ų87.451%0.50848%0.475SS..EExtended strand (participates in β ladder)trans-65.3145.6171.3-163.8-81.2000110.2R26 A400R26-D398 PolarHBondContact NH2-O 2.9Å; D398-A400 VanDerWaalsContact C-N 3.26Å; D398-A400 PolarHBondContact O-N 2.85Å; D398-A400 WeakPolarHBondContact OD1-CB 3.49Å; D398-A400 PolarHBondContact OD1-N 2.81Å
399F93.8Very high74.8Confident11 Ų1185.5 Ų85.55%0.04847%0.471CS..SBendtrans-69.9-22.9176.4-172.5-91000113.2F10 K11 K12 L23 R26 L167 V168 I169 R401F10-F399 HydrophobicContact CB-CB 4.28Å; F10-F399 HydrophobicContact CB-CD2 3.74Å; F10-F399 HydrophobicContact CB-CG 4.47Å; F10-F399 HydrophobicContact CG-CD2 4.48Å; K11-F399 PolarHBondContact O-N 2.77Å; K12-F399 HydrophobicContact CB-CB 4.09Å; L23-F399 HydrophobicContact CD1-CD2 4.29Å; L23-F399 HydrophobicContact CD1-CE2 3.76Å; R26-F399 HydrophobicContact CB-CE2 4Å; R26-F399 HydrophobicContact CB-CZ 4.08Å; R26-F399 WeakPolarHBondContact CD-O 3.49Å; R26-F399 HydrophobicContact CG-CD2 4Å; R26-F399 HydrophobicContact CG-CE2 3.62Å; R26-F399 HydrophobicContact CG-CZ 4.05Å; R26-F399 PolarHBondContact NE-O 2.84Å; L167-F399 HydrophobicContact CB-CD1 3.98Å; L167-F399 HydrophobicContact CB-CE1 3.74Å; L167-F399 HydrophobicContact CB-CE2 4.33Å; L167-F399 HydrophobicContact CB-CG 4.41Å; L167-F399 HydrophobicContact CB-CZ 3.93Å; L167-F399 HydrophobicContact CD2-CB 4.05Å; L167-F399 HydrophobicContact CD2-CD1 4.03Å; L167-F399 HydrophobicContact CD2-CD2 3.62Å; L167-F399 HydrophobicContact CD2-CE1 4.44Å; L167-F399 HydrophobicContact CD2-CE2 4.05Å; L167-F399 HydrophobicContact CD2-CG 3.62Å; L167-F399 HydrophobicContact CD2-CZ 4.45Å; L167-F399 HydrophobicContact CG-CD1 4.27Å; L167-F399 HydrophobicContact CG-CG 4.35Å; V168-F399 WeakPolarHBondContact O-CE1 3.06Å; V168-F399 WeakPolarHBondContact O-CZ 3.29Å; I169-F399 HydrophobicContact CG2-CE2 4.26Å; I169-F399 HydrophobicContact CG2-CZ 3.85Å; F399-R401 PolarHBondContact O-N 3.48Å
400A90.2Very high75.2Confident63 Ų6386.9 Ų86.952%0.52147%0.471SS..SBendtrans-56.9131.617800000111.1R26 D398R26-A400 PolarHBondContact NH2-O 3.23Å; R26-A400 VanDerWaalsContact NH2-O 3.16Å; D398-A400 VanDerWaalsContact C-N 3.26Å; D398-A400 PolarHBondContact O-N 2.85Å; D398-A400 WeakPolarHBondContact OD1-CB 3.49Å; D398-A400 PolarHBondContact OD1-N 2.81Å
401R90.1Very high74.8Confident24 Ų2488.2 Ų88.29%0.09148%0.475CS..PPolyproline II helixtrans-73.5144.2174.6-63.8-178.2-169.5-94.60.4109.4R26 D27 H296 D298 F399 R403R26-R401 PolarHBondContact O-NH2 3.13Å; D27-R401 IonicContact OD1-CZ 2.82Å; D27-R401 IonicContact OD1-NH1 3.29Å; D27-R401 PolarHBondContact OD1-NH1 2.79Å; D27-R401 VanDerWaalsContact OD1-NH1 3.1Å; D27-R401 IonicContact OD1-NH2 2.7Å; D27-R401 PolarHBondContact OD1-NH2 2.92Å; D27-R401 IonicContact OD2-NH1 3.45Å; D27-R401 PolarHBondContact OD2-NH1 2.99Å; H296-R401 HydrophobicContact CB-CB 4.1Å; D298-R401 WeakPolarHBondContact OD1-CD 3.25Å; D298-R401 IonicContact OD2-CZ 3.69Å; D298-R401 IonicContact OD2-NE 3.26Å; D298-R401 IonicContact OD2-NH1 2.67Å; D298-R401 PolarHBondContact OD2-NH1 3.17Å; F399-R401 PolarHBondContact O-N 3.48Å; R401-R403 PolarHBondContact O-N 2.93Å
402L86.2Confident74.5Confident122 Ų12286.3 Ų86.364%0.63946%0.464SS*.PPolyproline II helixtrans-59.4135.9175.6-67.3173.2000109.5H296 E297H296-L402 WeakPolarHBondContact CA-O 3.46Å; E297-L402 HydrophobicContact CB-CB 4.3Å; E297-L402 PolarHBondContact N-O 3.04Å; E297-L402 WeakPolarHBondContact OE2-CB 3.09Å
403R83.3Confident73.6Confident141 Ų14190 Ų9053%0.53248%0.484SS..BIsolated β-bridgetrans-92.4143.4-179.5-68.1-178.1-178.3173.3-8.5110.5K295 R401 D409K295-R403 CarbonylContact O-C 3.51Å; K295-R403 VanDerWaalsContact O-CA 3.23Å; K295-R403 WeakPolarHBondContact O-CA 3.4Å; R401-R403 PolarHBondContact O-N 2.93Å; R403-D409 IonicContact CZ-OD1 2.82Å; R403-D409 VanDerWaalsContact CZ-OD1 3.29Å; R403-D409 IonicContact NH1-OD1 3.69Å; R403-D409 PolarHBondContact NH1-OD1 2.82Å; R403-D409 IonicContact NH1-OD2 3.89Å; R403-D409 IonicContact NH2-OD1 3.86Å; R403-D409 PolarHBondContact NH2-OD1 3.15Å
404L77.4Confident71.5Confident34 Ų3487.9 Ų87.918%0.17847%0.473CS..PPolyproline II helixtrans-65.7135170.7-73.9150.9000110L294 K295 H296 E297 G406 M407L294-L404 WeakPolarHBondContact O-CD1 3.26Å; K295-L404 PolarHBondContact O-N 3.02Å; H296-L404 WeakPolarHBondContact O-CD1 3.27Å; E297-L404 HydrophobicContact CB-CD2 4.38Å; E297-L404 HydrophobicContact CB-CG 4.35Å; E297-L404 HydrophobicContact CG-CD2 4.38Å; L404-G406 PolarHBondContact O-N 3.29Å; L404-M407 HydrophobicContact CB-SD 4.11Å; L404-M407 HydrophobicContact CD1-SD 4.07Å
405K73.4Confident68.8Low216 Ų21693.2 Ų93.294%0.93951%0.511SS*.THydrogen-bonded Turntrans-60.1129.4175.2-67.8-179.1-179.7176.70109.5
406G63.4Low67.7Low87 Ų8794.5 Ų94.590%0.89752%0.515SS*.THydrogen-bonded Turntrans93.42.2172.100000116.6L404L404-G406 PolarHBondContact O-N 3.29Å
407M59.7Low66.3Low72 Ų7295.9 Ų95.936%0.35553%0.527SS..  trans-90.3128.7172.1-72.8-178.164.500111.3L294 K295 L404L294-M407 VanDerWaalsContact C-CE 3.42Å; L294-M407 HydrophobicContact CB-CE 3.84Å; L294-M407 HydrophobicContact CD2-CE 3.79Å; L294-M407 HydrophobicContact CG-CE 3.6Å; L294-M407 HydrophobicContact CG-SD 4.23Å; K295-M407 VanDerWaalsContact CA-CE 3.44Å; K295-M407 VanDerWaalsContact CA-SD 3.59Å; K295-M407 HydrophobicContact CB-CE 3.81Å; K295-M407 HydrophobicContact CB-SD 4.36Å; K295-M407 VanDerWaalsContact N-CE 3.34Å; L404-M407 HydrophobicContact CB-SD 4.11Å; L404-M407 HydrophobicContact CD1-SD 4.07Å
408A52.5Low64.8Low89 Ų8997.7 Ų97.774%0.73654%0.54SS*.  trans-66149.3179.800000111.8D410A408-D410 PolarHBondContact O-N 2.89Å
409D46.3Very low63.1Low115 Ų11597.9 Ų97.962%0.61554%0.542SS*.  trans-68.596.6171.6-91.4-35.1000109.5R403 K411R403-D409 IonicContact CZ-OD1 2.82Å; R403-D409 VanDerWaalsContact CZ-OD1 3.29Å; R403-D409 IonicContact NH1-OD1 3.69Å; R403-D409 PolarHBondContact NH1-OD1 2.82Å; R403-D409 IonicContact NH1-OD2 3.89Å; R403-D409 IonicContact NH2-OD1 3.86Å; R403-D409 PolarHBondContact NH2-OD1 3.15Å; D409-K411 PolarHBondContact O-N 3.39Å
410D51.2Low61.1Low119 Ų119103.3 Ų103.364%0.63657%0.573SS**  trans-59.1127152.4-73.9-29.1000106.8A408 D412A408-D410 PolarHBondContact O-N 2.89Å; D410-D412 PolarHBondContact O-N 3.42Å
411K41.1Very low59.2Low209 Ų209106 Ų10691%0.90958%0.576SS**  trans-64.168.6170.8-69.2-179.5-179.6173.20109.5D409 D413D409-K411 PolarHBondContact O-N 3.39Å; K411-D413 PolarHBondContact O-N 2.79Å
412D47.4Very low57Low50 Ų50111.9 Ų111.927%0.26761%0.611SS.*  trans-67.1120.1159-87.7-31.4000105.8K293 K295 D410 D414K293-D412 IonicContact NZ-OD2 2.83Å; K293-D412 PolarHBondContact NZ-OD2 3.23Å; K295-D412 IonicContact NZ-OD2 3.25Å; K295-D412 PolarHBondContact NZ-OD2 3.17Å; D410-D412 PolarHBondContact O-N 3.42Å; D412-D414 PolarHBondContact O-N 3.45Å
413D41.9Very low54.7Low120 Ų120111.1 Ų111.164%0.64261%0.609SS**  trans-60.148.7167.3-81.9-42.5000112.6K411 C415K411-D413 PolarHBondContact O-N 2.79Å; D413-C415 PolarHBondContact O-N 2.64Å; D413-C415 VanDerWaalsContact O-N 3.15Å
414D41Very low52.4Low64 Ų64108.6 Ų108.634%0.34262%0.615SS.*  trans-81.832.5170.5-88-34.6000111.7R166 D412R166-D414 IonicContact CZ-OD1 3.33Å; R166-D414 IonicContact NH1-OD1 3.67Å; R166-D414 PolarHBondContact NH1-OD1 3.21Å; R166-D414 IonicContact NH1-OD2 3.05Å; D412-D414 PolarHBondContact O-N 3.45Å
415C33.2Very low50.1Low128 Ų128115.4 Ų115.487%0.86566%0.655SS**  trans-1200164.8-77.10000112.2K161 D413K161-C415 PolarHBondContact NZ-O 2.84Å; D413-C415 PolarHBondContact O-N 2.64Å; D413-C415 VanDerWaalsContact O-N 3.15Å

Retrieved 415 of 415 residues in 567.4 ms (Link to these results)

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