A0A060X9B4_ONCMY Loading...

Four and a half LIM domains 5

AlphaFold DB , UniProt , Accession A0A060X9B4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene fhl5, Length 280 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
1M40.8Very low74.1Confident242 Ų242115.9 Ų115.9100%1.19257%0.571SS**  0108.10-69-156.6153.100107.4T3M1-T3 PolarHBondContact O-N 3.49Å
2S45.8Very low75.5Confident113 Ų113117.8 Ų117.879%0.7957%0.573SS**  trans-69.5112.6177.143.20000108.3E4S2-E4 PolarHBondContact O-N 3.14Å
3T55.3Low76.7Confident129 Ų129118.8 Ų118.879%0.79158%0.576SS**  trans-60.7105.2168.9360000107.8M1 R5M1-T3 PolarHBondContact O-N 3.49Å; T3-R5 PolarHBondContact O-N 2.98Å
4E61.3Low77.7Confident185 Ų185114.2 Ų114.286%0.86456%0.563SS**  trans-56.6116169.9-72.7-177164.800107.5S2 F6S2-E4 PolarHBondContact O-N 3.14Å; E4-F6 PolarHBondContact O-N 2.74Å
5R71.3Confident78.5Confident214 Ų214106.8 Ų106.881%0.80853%0.526SS*.  trans-70.5102.9-178.3-82.7-172-179.1171.4-1.2109T3 D7T3-R5 PolarHBondContact O-N 2.98Å; R5-D7 VanDerWaalsContact C-N 3.26Å; R5-D7 WeakPolarHBondContact CB-OD2 3.36Å; R5-D7 PolarHBondContact O-N 3.37Å; R5-D7 VanDerWaalsContact O-N 3.16Å
6F87Confident79Confident63 Ų63108.1 Ų108.128%0.27654%0.535SS..  trans-88.865.2177-159.6-105.1000110.6E4 L15 L16 Y20E4-F6 PolarHBondContact O-N 2.74Å; F6-L15 HydrophobicContact CD1-CB 3.65Å; F6-L15 HydrophobicContact CE1-CB 3.72Å; F6-L15 HydrophobicContact CE1-CD1 4.47Å; F6-L15 WeakPolarHBondContact O-CB 3.47Å; F6-L15 PolarHBondContact O-N 3.03Å; F6-L16 HydrophobicContact CB-CD2 4.22Å; F6-L16 HydrophobicContact CB-CG 4.42Å; F6-L16 HydrophobicContact CD1-CD2 4.37Å; F6-Y20 AromaticContact CE1-CD1 3.99Å; F6-Y20 HydrophobicContact CE1-CD1 3.99Å; F6-Y20 AromaticContact CE1-CE1 3.76Å; F6-Y20 HydrophobicContact CE1-CE1 3.76Å; F6-Y20 HydrophobicContact CE1-CE2 4.5Å; F6-Y20 HydrophobicContact CE1-CG 4.48Å; F6-Y20 HydrophobicContact CZ-CD1 4.24Å; F6-Y20 HydrophobicContact CZ-CD2 4.3Å; F6-Y20 AromaticContact CZ-CE1 3.76Å; F6-Y20 HydrophobicContact CZ-CE1 3.76Å; F6-Y20 AromaticContact CZ-CE2 3.81Å; F6-Y20 HydrophobicContact CZ-CE2 3.81Å; F6-Y20 AromaticContact CZ-CZ 3.52Å
7D91.9Very high79.3Confident43 Ų43107.1 Ų107.123%0.2356%0.558CS.*BIsolated β-bridgetrans-112.5156.4-174.5-56.1-32.4000111.2R5 H9 E13 S14 Q27R5-D7 VanDerWaalsContact C-N 3.26Å; R5-D7 WeakPolarHBondContact CB-OD2 3.36Å; R5-D7 PolarHBondContact O-N 3.37Å; R5-D7 VanDerWaalsContact O-N 3.16Å; D7-H9 PolarHBondContact O-N 3.25Å; D7-E13 CarbonylContact C-O 3.53Å; D7-E13 WeakPolarHBondContact CA-O 3.32Å; D7-S14 VanDerWaalsContact OD1-CA 3.3Å; D7-S14 WeakPolarHBondContact OD1-CA 3.32Å; D7-Q27 WeakPolarHBondContact O-CG 3.19Å; D7-Q27 PolarHBondContact O-NE2 3.4Å
8C90.3Very high79.7Confident1 Ų1106.9 Ų106.91%0.00756%0.558CS.*  trans-61.4130.8174.8176.70000110.5Y10 C11 K12 E13 L15 C29C8-Y10 PolarHBondContact O-N 3.47Å; C8-Y10 PolarHBondContact SG-N 2.86Å; C8-Y10 VanDerWaalsContact SG-N 3.43Å; C8-C11 VanDerWaalsContact CB-SG 3.52Å; C8-C11 VanDerWaalsContact SG-SG 3.63Å; C8-K12 WeakPolarHBondContact O-CA 3.3Å; C8-K12 PolarHBondContact O-N 2.77Å; C8-E13 PolarHBondContact N-O 3.21Å; C8-L15 HydrophobicContact CB-CD1 4.46Å; C8-L15 HydrophobicContact CB-CD2 3.97Å; C8-L15 HydrophobicContact CB-CG 4.27Å; C8-C29 HydrophobicContact CB-CB 4.22Å; C8-C29 PolarHBondContact SG-N 3.43Å
9H89.9Confident80Confident93 Ų93109.8 Ų109.843%0.43157%0.566SS.*THydrogen-bonded Turntrans-57.3-35.6178.7-175.478.9000112.7D7 K12 Q27 Y28D7-H9 PolarHBondContact O-N 3.25Å; H9-K12 WeakPolarHBondContact O-CE 3.34Å; H9-K12 PolarHBondContact O-NZ 2.94Å; H9-Q27 VanDerWaalsContact CB-O 3.32Å; H9-Q27 WeakPolarHBondContact CB-O 3.44Å; H9-Q27 PolarHBondContact N-O 2.8Å; H9-Y28 HydrophobicContact CB-CD1 4.36Å; H9-Y28 HydrophobicContact CB-CE1 4.02Å; H9-Y28 AromaticContact CD2-CE1 3.98Å
10Y90.1Very high80.4Confident144 Ų144109.7 Ų109.757%0.56556%0.559SS**THydrogen-bonded Turntrans-88-65.7-177.6-171-99.8000113.4C8 K12 C32 L36C8-Y10 PolarHBondContact O-N 3.47Å; C8-Y10 PolarHBondContact SG-N 2.86Å; C8-Y10 VanDerWaalsContact SG-N 3.43Å; Y10-K12 PolarHBondContact O-N 3.4Å; Y10-C32 HydrophobicContact CD1-CB 4.18Å; Y10-C32 HydrophobicContact CG-CB 4.44Å; Y10-L36 HydrophobicContact CD1-CD1 4.39Å; Y10-L36 HydrophobicContact CD2-CD1 3.65Å; Y10-L36 HydrophobicContact CD2-CD2 4.21Å; Y10-L36 HydrophobicContact CD2-CG 4.49Å; Y10-L36 HydrophobicContact CE2-CD1 4.16Å; Y10-L36 HydrophobicContact CE2-CD2 3.86Å; Y10-L36 HydrophobicContact CG-CD1 3.77Å
11C91.4Very high80.7Confident48 Ų48106.3 Ų106.332%0.32454%0.542SS..THydrogen-bonded Turntrans-83.6-7.9-174.966.60000114.8C8 E13 C32C8-C11 VanDerWaalsContact CB-SG 3.52Å; C8-C11 VanDerWaalsContact SG-SG 3.63Å; C11-E13 HydrophobicContact CB-CG 4.45Å; C11-E13 PolarHBondContact O-N 3.16Å; C11-E13 VanDerWaalsContact O-N 3.14Å; C11-C32 VanDerWaalsContact SG-SG 3.64Å
12K90.9Very high82.9Confident138 Ų13899.5 Ų99.560%0.651%0.508SS*.  trans61.412.1-177.6-47.1-56-174-171.80115.3C8 H9 Y10C8-K12 WeakPolarHBondContact O-CA 3.3Å; C8-K12 PolarHBondContact O-N 2.77Å; H9-K12 WeakPolarHBondContact O-CE 3.34Å; H9-K12 PolarHBondContact O-NZ 2.94Å; Y10-K12 PolarHBondContact O-N 3.4Å
13E90.7Very high84.8Confident131 Ų13197.2 Ų97.261%0.61248%0.484SS*.  trans-73.2148171.8-66.6-173.8156.100111.5D7 C8 C11 L15D7-E13 CarbonylContact C-O 3.53Å; D7-E13 WeakPolarHBondContact CA-O 3.32Å; C8-E13 PolarHBondContact N-O 3.21Å; C11-E13 HydrophobicContact CB-CG 4.45Å; C11-E13 PolarHBondContact O-N 3.16Å; C11-E13 VanDerWaalsContact O-N 3.14Å; E13-L15 PolarHBondContact O-N 3.07Å
14S91.1Very high86.3Confident55 Ų5598.8 Ų98.839%0.38548%0.482SS..BIsolated β-bridgetrans-66131.3179.6-166.90000112.4D7 N18D7-S14 VanDerWaalsContact OD1-CA 3.3Å; D7-S14 WeakPolarHBondContact OD1-CA 3.32Å; S14-N18 PolarHBondContact O-ND2 2.9Å
15L89.4Confident87.5Confident3 Ų397.5 Ų97.52%0.01648%0.482CS..  trans-92.6-0.9177.4-61.4176.3000112.8F6 C8 E13 G17 N18 Y20 Q27 C29F6-L15 HydrophobicContact CD1-CB 3.65Å; F6-L15 HydrophobicContact CE1-CB 3.72Å; F6-L15 HydrophobicContact CE1-CD1 4.47Å; F6-L15 WeakPolarHBondContact O-CB 3.47Å; F6-L15 PolarHBondContact O-N 3.03Å; C8-L15 HydrophobicContact CB-CD1 4.46Å; C8-L15 HydrophobicContact CB-CD2 3.97Å; C8-L15 HydrophobicContact CB-CG 4.27Å; E13-L15 PolarHBondContact O-N 3.07Å; L15-G17 PolarHBondContact O-N 2.99Å; L15-N18 PolarHBondContact O-N 3.3Å; L15-Y20 HydrophobicContact CD1-CG 4.26Å; L15-Q27 HydrophobicContact CD1-CB 3.84Å; L15-Q27 HydrophobicContact CD1-CG 3.64Å; L15-C29 HydrophobicContact CD2-CB 3.6Å
16L87.6Confident88.3Confident127 Ų12789.1 Ų89.167%0.66545%0.454SS*.THydrogen-bonded Turntrans-59.6119.2178.9-69.6170.4000110.7F6 N18F6-L16 HydrophobicContact CB-CD2 4.22Å; F6-L16 HydrophobicContact CB-CG 4.42Å; F6-L16 HydrophobicContact CD1-CD2 4.37Å; L16-N18 PolarHBondContact O-N 2.98Å
17G83.7Confident88.5Confident91 Ų9188 Ų8894%0.93845%0.45SS*.THydrogen-bonded Turntrans75.40.6-178.400000115.2L15L15-G17 PolarHBondContact O-N 2.99Å
18N85.6Confident88.4Confident104 Ų10487 Ų8756%0.55644%0.443SS*.SBendtrans-105.2154.2179.3-70-46.7000111.3S14 L15 L16S14-N18 PolarHBondContact O-ND2 2.9Å; L15-N18 PolarHBondContact O-N 3.3Å; L16-N18 PolarHBondContact O-N 2.98Å
19K86.4Confident88.4Confident163 Ų16387.8 Ų87.871%0.70945%0.448SS*.  trans-68.9136170.6-67.9-176.5179.2-178.40109.7T30K19-T30 HydrophobicContact CB-CG2 3.92Å
20Y87.6Confident88.2Confident107 Ų10785.4 Ų85.442%0.4244%0.44SS..EExtended strand (participates in β ladder)trans-140.3161.817867-85.5000110.6F6 L15 M22 Q27 Y28F6-Y20 AromaticContact CE1-CD1 3.99Å; F6-Y20 HydrophobicContact CE1-CD1 3.99Å; F6-Y20 AromaticContact CE1-CE1 3.76Å; F6-Y20 HydrophobicContact CE1-CE1 3.76Å; F6-Y20 HydrophobicContact CE1-CE2 4.5Å; F6-Y20 HydrophobicContact CE1-CG 4.48Å; F6-Y20 HydrophobicContact CZ-CD1 4.24Å; F6-Y20 HydrophobicContact CZ-CD2 4.3Å; F6-Y20 AromaticContact CZ-CE1 3.76Å; F6-Y20 HydrophobicContact CZ-CE1 3.76Å; F6-Y20 AromaticContact CZ-CE2 3.81Å; F6-Y20 HydrophobicContact CZ-CE2 3.81Å; F6-Y20 AromaticContact CZ-CZ 3.52Å; L15-Y20 HydrophobicContact CD1-CG 4.26Å; Y20-M22 HydrophobicContact CD2-CG 4.29Å; Y20-M22 HydrophobicContact CD2-SD 4.14Å; Y20-M22 HydrophobicContact CE2-CG 3.94Å; Y20-M22 HydrophobicContact CE2-SD 3.88Å; Y20-Q27 HydrophobicContact CD2-CB 4.37Å; Y20-Y28 CarbonylContact C-O 3.58Å; Y20-Y28 VanDerWaalsContact CA-O 3.3Å; Y20-Y28 WeakPolarHBondContact CA-O 3.38Å; Y20-Y28 WeakPolarHBondContact CB-O 3.45Å
21I86.2Confident88Confident38 Ų3885.8 Ų85.820%0.19545%0.445CS..EExtended strand (participates in β ladder)trans-125.4131.7-179.8-58.7172.5000108.3Y28 T30 Y33 C50I21-Y28 PolarHBondContact N-O 3.08Å; I21-Y28 PolarHBondContact O-N 3.03Å; I21-T30 HydrophobicContact CD1-CG2 4.43Å; I21-Y33 HydrophobicContact CB-CD1 4.46Å; I21-Y33 HydrophobicContact CB-CD2 3.81Å; I21-Y33 HydrophobicContact CB-CE2 4.25Å; I21-Y33 HydrophobicContact CB-CG 3.93Å; I21-Y33 HydrophobicContact CD1-CD1 3.48Å; I21-Y33 VanDerWaalsContact CD1-CD1 3.48Å; I21-Y33 HydrophobicContact CD1-CD2 4.38Å; I21-Y33 HydrophobicContact CD1-CE1 4.06Å; I21-Y33 HydrophobicContact CD1-CG 3.68Å; I21-Y33 HydrophobicContact CG1-CG 4.37Å; I21-Y33 HydrophobicContact CG2-CD1 4.26Å; I21-Y33 HydrophobicContact CG2-CD2 3.57Å; I21-Y33 HydrophobicContact CG2-CE1 4.17Å; I21-Y33 HydrophobicContact CG2-CE2 3.47Å; I21-Y33 VanDerWaalsContact CG2-CE2 3.47Å; I21-Y33 HydrophobicContact CG2-CG 3.97Å; I21-C50 HydrophobicContact CD1-CB 3.8Å
22M87.2Confident87.8Confident99 Ų9984.1 Ų84.149%0.48843%0.433SS..EExtended strand (participates in β ladder)trans-92.4132.7175.6-65.2-64.5-67.700110.1Y20 T26 Q27Y20-M22 HydrophobicContact CD2-CG 4.29Å; Y20-M22 HydrophobicContact CD2-SD 4.14Å; Y20-M22 HydrophobicContact CE2-CG 3.94Å; Y20-M22 HydrophobicContact CE2-SD 3.88Å; M22-T26 CarbonylContact C-O 3.51Å; M22-T26 WeakPolarHBondContact CA-O 3.15Å; M22-Q27 HydrophobicContact SD-CB 3.53Å; M22-Q27 VanDerWaalsContact SD-CB 3.53Å
23K85.1Confident87.6Confident65 Ų6580.1 Ų80.128%0.28342%0.415SS..EExtended strand (participates in β ladder)trans-143.1126173.1-169.3-170.1-179.8-152.50109.4D25 T26 Y28 Y33 F37K23-D25 VanDerWaalsContact C-N 3.28Å; K23-D25 PolarHBondContact O-N 3.35Å; K23-T26 PolarHBondContact N-O 3.49Å; K23-T26 PolarHBondContact O-N 3.32Å; K23-T26 PolarHBondContact O-OG1 3.45Å; K23-Y28 HydrophobicContact CB-CD2 4.43Å; K23-Y28 HydrophobicContact CB-CE2 4.17Å; K23-Y33 HydrophobicContact CB-CE2 4.04Å; K23-Y33 HydrophobicContact CD-CE2 4.1Å; K23-Y33 HydrophobicContact CG-CE2 4.45Å; K23-F37 HydrophobicContact CD-CD1 4.21Å; K23-F37 HydrophobicContact CD-CD2 4.08Å; K23-F37 HydrophobicContact CD-CE1 4.14Å; K23-F37 HydrophobicContact CD-CE2 4Å; K23-F37 HydrophobicContact CD-CG 4.17Å; K23-F37 HydrophobicContact CD-CZ 4.03Å
24E87.3Confident87.4Confident163 Ų16376.4 Ų76.476%0.76240%0.397SS*.THydrogen-bonded Turntrans49.348.6179.7-63.6167.3-160.800112.1T26E24-T26 PolarHBondContact O-N 3.03Å
25D86.8Confident87Confident158 Ų15880.3 Ų80.385%0.84541%0.414SS*.THydrogen-bonded Turntrans60.312.3-176.9-57.4-36000116.1K23K23-D25 VanDerWaalsContact C-N 3.28Å; K23-D25 PolarHBondContact O-N 3.35Å
26T89.1Confident86.8Confident38 Ų3883.4 Ų83.423%0.23343%0.43CS..EExtended strand (participates in β ladder)trans-113.2142.5175.460.50000112M22 K23 E24 Y28M22-T26 CarbonylContact C-O 3.51Å; M22-T26 WeakPolarHBondContact CA-O 3.15Å; K23-T26 PolarHBondContact N-O 3.49Å; K23-T26 PolarHBondContact O-N 3.32Å; K23-T26 PolarHBondContact O-OG1 3.45Å; E24-T26 PolarHBondContact O-N 3.03Å; T26-Y28 WeakPolarHBondContact OG1-CE2 3.3Å; T26-Y28 PolarHBondContact OG1-OH 2.88Å
27Q90.8Very high86.7Confident39 Ų3980.4 Ų80.418%0.18241%0.412CS..EExtended strand (participates in β ladder)trans-103.2128.3-173.762.7-155.921.100112D7 H9 L15 Y20 M22D7-Q27 WeakPolarHBondContact O-CG 3.19Å; D7-Q27 PolarHBondContact O-NE2 3.4Å; H9-Q27 VanDerWaalsContact CB-O 3.32Å; H9-Q27 WeakPolarHBondContact CB-O 3.44Å; H9-Q27 PolarHBondContact N-O 2.8Å; L15-Q27 HydrophobicContact CD1-CB 3.84Å; L15-Q27 HydrophobicContact CD1-CG 3.64Å; Y20-Q27 HydrophobicContact CD2-CB 4.37Å; M22-Q27 HydrophobicContact SD-CB 3.53Å; M22-Q27 VanDerWaalsContact SD-CB 3.53Å
28Y89.7Confident86.8Confident23 Ų2377.3 Ų77.39%0.0938%0.376CS..EExtended strand (participates in β ladder)trans-121.2141.7179.4-60-93.4000110.4H9 Y20 I21 K23 T26 Y33 L36 F37H9-Y28 HydrophobicContact CB-CD1 4.36Å; H9-Y28 HydrophobicContact CB-CE1 4.02Å; H9-Y28 AromaticContact CD2-CE1 3.98Å; Y20-Y28 CarbonylContact C-O 3.58Å; Y20-Y28 VanDerWaalsContact CA-O 3.3Å; Y20-Y28 WeakPolarHBondContact CA-O 3.38Å; Y20-Y28 WeakPolarHBondContact CB-O 3.45Å; I21-Y28 PolarHBondContact N-O 3.08Å; I21-Y28 PolarHBondContact O-N 3.03Å; K23-Y28 HydrophobicContact CB-CD2 4.43Å; K23-Y28 HydrophobicContact CB-CE2 4.17Å; T26-Y28 WeakPolarHBondContact OG1-CE2 3.3Å; T26-Y28 PolarHBondContact OG1-OH 2.88Å; Y28-Y33 HydrophobicContact CD2-CD2 4.33Å; Y28-Y33 HydrophobicContact CG-CD2 4.5Å; Y28-L36 HydrophobicContact CD1-CD1 4.08Å; Y28-L36 HydrophobicContact CE1-CD1 4.03Å; Y28-F37 HydrophobicContact CD1-CE2 4.15Å; Y28-F37 HydrophobicContact CD2-CE2 4.18Å; Y28-F37 AromaticContact CE1-CE2 3.97Å; Y28-F37 HydrophobicContact CE1-CE2 3.97Å; Y28-F37 HydrophobicContact CE1-CZ 4.21Å; Y28-F37 AromaticContact CE2-CE2 4Å; Y28-F37 HydrophobicContact CE2-CE2 4Å; Y28-F37 HydrophobicContact CE2-CZ 4.38Å; Y28-F37 HydrophobicContact CG-CE2 4.26Å; Y28-F37 AromaticContact CZ-CE2 3.92Å
29C90.1Very high87Confident16 Ų1675.5 Ų75.511%0.10837%0.366CS..EExtended strand (participates in β ladder)trans-66.1153.3164.676.60000108.7C8 L15 K31 C32 Y33C8-C29 HydrophobicContact CB-CB 4.22Å; C8-C29 PolarHBondContact SG-N 3.43Å; L15-C29 HydrophobicContact CD2-CB 3.6Å; C29-K31 VanDerWaalsContact C-N 3.25Å; C29-K31 PolarHBondContact O-N 2.91Å; C29-C32 PolarHBondContact O-N 3.5Å; C29-C32 VanDerWaalsContact O-N 3.07Å; C29-C32 PolarHBondContact SG-N 3.37Å; C29-C32 VanDerWaalsContact SG-N 3.4Å; C29-C32 PolarHBondContact SG-SG 3.2Å; C29-Y33 PolarHBondContact O-N 3.23Å
30T85.8Confident87.2Confident43 Ų4371.3 Ų71.326%0.26436%0.357SS..Hα-helixtrans-54-41.5-176.352.80000112.6K19 I21 C32 Y33 E34K19-T30 HydrophobicContact CB-CG2 3.92Å; I21-T30 HydrophobicContact CD1-CG2 4.43Å; T30-C32 PolarHBondContact O-N 3.07Å; T30-Y33 PolarHBondContact O-N 3.3Å; T30-E34 WeakPolarHBondContact O-CB 3.4Å; T30-E34 VanDerWaalsContact O-CG 3.25Å; T30-E34 WeakPolarHBondContact O-CG 3.07Å; T30-E34 PolarHBondContact O-N 3.03Å
31K85.5Confident87.4Confident153 Ų15366.3 Ų66.367%0.66534%0.337SS*.Hα-helixtrans-61.6-44.8177-70.7179.9-179.7174.60113.2C29 N35C29-K31 VanDerWaalsContact C-N 3.25Å; C29-K31 PolarHBondContact O-N 2.91Å; K31-N35 WeakPolarHBondContact O-CB 3.24Å; K31-N35 PolarHBondContact O-N 2.89Å
32C88.1Confident87.7Confident12 Ų1269.9 Ų69.98%0.08135%0.353CS..Hα-helixtrans-69.9-39.7179.4-70.80000110.9Y10 C11 C29 T30 N35 L36Y10-C32 HydrophobicContact CD1-CB 4.18Å; Y10-C32 HydrophobicContact CG-CB 4.44Å; C11-C32 VanDerWaalsContact SG-SG 3.64Å; C29-C32 PolarHBondContact O-N 3.5Å; C29-C32 VanDerWaalsContact O-N 3.07Å; C29-C32 PolarHBondContact SG-N 3.37Å; C29-C32 VanDerWaalsContact SG-N 3.4Å; C29-C32 PolarHBondContact SG-SG 3.2Å; T30-C32 PolarHBondContact O-N 3.07Å; C32-N35 PolarHBondContact O-N 3.18Å; C32-L36 VanDerWaalsContact O-CB 3.3Å; C32-L36 WeakPolarHBondContact O-CB 3.36Å; C32-L36 WeakPolarHBondContact O-CD1 3.38Å; C32-L36 WeakPolarHBondContact O-CG 3.16Å; C32-L36 PolarHBondContact O-N 2.74Å
33Y86.9Confident87.8Confident55 Ų5569.1 Ų69.122%0.21635%0.353CS..Hα-helixtrans-61.3-47.5175.8-172.2-87.4000111.4I21 K23 Y28 C29 T30 N35 L36 F37I21-Y33 HydrophobicContact CB-CD1 4.46Å; I21-Y33 HydrophobicContact CB-CD2 3.81Å; I21-Y33 HydrophobicContact CB-CE2 4.25Å; I21-Y33 HydrophobicContact CB-CG 3.93Å; I21-Y33 HydrophobicContact CD1-CD1 3.48Å; I21-Y33 VanDerWaalsContact CD1-CD1 3.48Å; I21-Y33 HydrophobicContact CD1-CD2 4.38Å; I21-Y33 HydrophobicContact CD1-CE1 4.06Å; I21-Y33 HydrophobicContact CD1-CG 3.68Å; I21-Y33 HydrophobicContact CG1-CG 4.37Å; I21-Y33 HydrophobicContact CG2-CD1 4.26Å; I21-Y33 HydrophobicContact CG2-CD2 3.57Å; I21-Y33 HydrophobicContact CG2-CE1 4.17Å; I21-Y33 HydrophobicContact CG2-CE2 3.47Å; I21-Y33 VanDerWaalsContact CG2-CE2 3.47Å; I21-Y33 HydrophobicContact CG2-CG 3.97Å; K23-Y33 HydrophobicContact CB-CE2 4.04Å; K23-Y33 HydrophobicContact CD-CE2 4.1Å; K23-Y33 HydrophobicContact CG-CE2 4.45Å; Y28-Y33 HydrophobicContact CD2-CD2 4.33Å; Y28-Y33 HydrophobicContact CG-CD2 4.5Å; C29-Y33 PolarHBondContact O-N 3.23Å; T30-Y33 PolarHBondContact O-N 3.3Å; Y33-N35 PolarHBondContact O-N 3.03Å; Y33-L36 PolarHBondContact O-N 3.12Å; Y33-F37 AromaticContact CD2-CD2 3.53Å; Y33-F37 HydrophobicContact CD2-CD2 3.53Å; Y33-F37 HydrophobicContact CD2-CE2 4.09Å; Y33-F37 HydrophobicContact CE1-CB 4.29Å; Y33-F37 HydrophobicContact CE2-CB 4.42Å; Y33-F37 AromaticContact CE2-CD2 3.69Å; Y33-F37 HydrophobicContact CE2-CD2 3.69Å; Y33-F37 HydrophobicContact CE2-CE2 4.39Å; Y33-F37 HydrophobicContact CE2-CG 4.37Å; Y33-F37 HydrophobicContact CG-CD2 4.01Å; Y33-F37 WeakPolarHBondContact O-CB 3.3Å; Y33-F37 PolarHBondContact O-N 3.49Å
34E84.7Confident88.1Confident52 Ų5268.2 Ų68.224%0.24336%0.355CS..Hα-helixtrans-59.3-47.3177.3-74.7173.5162.500111.4T30 L36 S38 C50T30-E34 WeakPolarHBondContact O-CB 3.4Å; T30-E34 VanDerWaalsContact O-CG 3.25Å; T30-E34 WeakPolarHBondContact O-CG 3.07Å; T30-E34 PolarHBondContact O-N 3.03Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.34Å; E34-S38 WeakPolarHBondContact CA-OG 3.29Å; E34-S38 WeakPolarHBondContact O-CB 3.48Å; E34-S38 PolarHBondContact O-N 2.89Å; E34-S38 VanDerWaalsContact O-N 3.08Å; E34-S38 PolarHBondContact O-OG 3.49Å; E34-C50 PolarHBondContact OE1-N 3.07Å
35N84Confident88.3Confident137 Ų13765 Ų6573%0.73335%0.35SS*.Hα-helixtrans-66.1-30.9180-78.3-9.9000114.2K31 C32 Y33K31-N35 WeakPolarHBondContact O-CB 3.24Å; K31-N35 PolarHBondContact O-N 2.89Å; C32-N35 PolarHBondContact O-N 3.18Å; Y33-N35 PolarHBondContact O-N 3.03Å
36L84.2Confident88.4Confident68 Ų6862.6 Ų62.636%0.35634%0.337SS..Hα-helixtrans-92.9-28.2-174.6-67.5168.6000113.1Y10 Y28 C32 Y33 E34Y10-L36 HydrophobicContact CD1-CD1 4.39Å; Y10-L36 HydrophobicContact CD2-CD1 3.65Å; Y10-L36 HydrophobicContact CD2-CD2 4.21Å; Y10-L36 HydrophobicContact CD2-CG 4.49Å; Y10-L36 HydrophobicContact CE2-CD1 4.16Å; Y10-L36 HydrophobicContact CE2-CD2 3.86Å; Y10-L36 HydrophobicContact CG-CD1 3.77Å; Y28-L36 HydrophobicContact CD1-CD1 4.08Å; Y28-L36 HydrophobicContact CE1-CD1 4.03Å; C32-L36 VanDerWaalsContact O-CB 3.3Å; C32-L36 WeakPolarHBondContact O-CB 3.36Å; C32-L36 WeakPolarHBondContact O-CD1 3.38Å; C32-L36 WeakPolarHBondContact O-CG 3.16Å; C32-L36 PolarHBondContact O-N 2.74Å; Y33-L36 PolarHBondContact O-N 3.12Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 3.34Å
37F86.1Confident88.3Confident65 Ų6563.9 Ų63.929%0.28535%0.346SS..Hα-helixtrans-136.8-5.5-164.7-49.4-60.7000115.1K23 Y28 Y33K23-F37 HydrophobicContact CD-CD1 4.21Å; K23-F37 HydrophobicContact CD-CD2 4.08Å; K23-F37 HydrophobicContact CD-CE1 4.14Å; K23-F37 HydrophobicContact CD-CE2 4Å; K23-F37 HydrophobicContact CD-CG 4.17Å; K23-F37 HydrophobicContact CD-CZ 4.03Å; Y28-F37 HydrophobicContact CD1-CE2 4.15Å; Y28-F37 HydrophobicContact CD2-CE2 4.18Å; Y28-F37 AromaticContact CE1-CE2 3.97Å; Y28-F37 HydrophobicContact CE1-CE2 3.97Å; Y28-F37 HydrophobicContact CE1-CZ 4.21Å; Y28-F37 AromaticContact CE2-CE2 4Å; Y28-F37 HydrophobicContact CE2-CE2 4Å; Y28-F37 HydrophobicContact CE2-CZ 4.38Å; Y28-F37 HydrophobicContact CG-CE2 4.26Å; Y28-F37 AromaticContact CZ-CE2 3.92Å; Y33-F37 AromaticContact CD2-CD2 3.53Å; Y33-F37 HydrophobicContact CD2-CD2 3.53Å; Y33-F37 HydrophobicContact CD2-CE2 4.09Å; Y33-F37 HydrophobicContact CE1-CB 4.29Å; Y33-F37 HydrophobicContact CE2-CB 4.42Å; Y33-F37 AromaticContact CE2-CD2 3.69Å; Y33-F37 HydrophobicContact CE2-CD2 3.69Å; Y33-F37 HydrophobicContact CE2-CE2 4.39Å; Y33-F37 HydrophobicContact CE2-CG 4.37Å; Y33-F37 HydrophobicContact CG-CD2 4.01Å; Y33-F37 WeakPolarHBondContact O-CB 3.3Å; Y33-F37 PolarHBondContact O-N 3.49Å
38S86.6Confident88.2Confident25 Ų2562.3 Ų62.318%0.17534%0.339CS..PPolyproline II helixtrans-68.9138.3175.7-79.80000111.6E34 I48E34-S38 WeakPolarHBondContact CA-OG 3.29Å; E34-S38 WeakPolarHBondContact O-CB 3.48Å; E34-S38 PolarHBondContact O-N 2.89Å; E34-S38 VanDerWaalsContact O-N 3.08Å; E34-S38 PolarHBondContact O-OG 3.49Å; S38-I48 VanDerWaalsContact CB-O 3.28Å; S38-I48 WeakPolarHBondContact CB-O 3.42Å; S38-I48 PolarHBondContact OG-O 3.04Å
39N89.3Confident87.9Confident66 Ų6661.9 Ų61.935%0.35334%0.342SS..PPolyproline II helixtrans-68.9143.6168.4-62.2-49.4000110I48 D54 H61N39-I48 WeakPolarHBondContact O-CB 3.49Å; N39-I48 PolarHBondContact O-N 3.46Å; N39-D54 PolarHBondContact ND2-OD2 3Å; N39-H61 HydrophobicContact CB-CB 3.78Å; N39-H61 VanDerWaalsContact CB-CG 3.46Å; N39-H61 VanDerWaalsContact CG-CE1 3.45Å; N39-H61 PolarHBondContact ND2-CE1 2.94Å; N39-H61 PolarHBondContact ND2-ND1 3.49Å
40C90.4Very high87.1Confident76 Ų7663.6 Ų63.651%0.51435%0.353SS..BIsolated β-bridgetrans-88.3138.5175.1-67.60000110.2E42C40-E42 PolarHBondContact O-N 2.77Å
41C91.9Very high86.6Confident1 Ų167.8 Ų67.81%0.00737%0.374CS..BIsolated β-bridgetrans-71.5129.5175.31760000111.2V43 C44 S45 L46 I48 H61 H63 C66C41-V43 PolarHBondContact O-N 2.8Å; C41-V43 VanDerWaalsContact O-N 3.12Å; C41-C44 VanDerWaalsContact CB-SG 3.58Å; C41-C44 PolarHBondContact O-N 2.84Å; C41-S45 WeakPolarHBondContact O-CA 3.25Å; C41-S45 PolarHBondContact O-N 2.81Å; C41-L46 PolarHBondContact N-O 2.91Å; C41-I48 HydrophobicContact CB-CD1 4.2Å; C41-I48 HydrophobicContact CB-CG1 4.04Å; C41-H61 CarbonylContact C-O 3.53Å; C41-H61 VanDerWaalsContact CA-O 3.29Å; C41-H61 WeakPolarHBondContact CA-O 3.28Å; C41-H63 VanDerWaalsContact CB-CE1 3.48Å; C41-H63 WeakPolarHBondContact CB-CE1 3.11Å; C41-H63 WeakPolarHBondContact CB-ND1 3.34Å; C41-H63 PolarHBondContact SG-ND1 3.47Å; C41-C66 VanDerWaalsContact SG-CB 3.55Å
42E91.8Very high86.4Confident114 Ų11463.8 Ų63.853%0.53337%0.365SS..THydrogen-bonded Turntrans-59.5-28.1-178.7-166.160.2-142.200113.4C40 C60 H61 W62C40-E42 PolarHBondContact O-N 2.77Å; E42-C60 PolarHBondContact OE2-SG 3.34Å; E42-H61 PolarHBondContact N-O 2.91Å; E42-W62 HydrophobicContact CB-CD2 4.44Å; E42-W62 HydrophobicContact CB-CZ2 4.13Å; E42-W62 HydrophobicContact CG-CZ2 4.22Å
43V89.9Confident86.3Confident82 Ų8267.8 Ų67.850%0.49738%0.381SS..THydrogen-bonded Turntrans-90.1-40.6-174.7175.10000112.9C41 C66C41-V43 PolarHBondContact O-N 2.8Å; C41-V43 VanDerWaalsContact O-N 3.12Å; V43-C66 HydrophobicContact CB-CB 4Å; V43-C66 HydrophobicContact CG1-CB 4.46Å; V43-C66 HydrophobicContact CG2-CB 4.24Å
44C91.6Very high86.4Confident47 Ų4768.2 Ų68.232%0.31839%0.386SS..THydrogen-bonded Turntrans-112.2-5.1-175.963.70000114.1C41 L46 H63C41-C44 VanDerWaalsContact CB-SG 3.58Å; C41-C44 PolarHBondContact O-N 2.84Å; C44-L46 HydrophobicContact CB-CG 4.42Å; C44-L46 PolarHBondContact O-N 3.33Å; C44-H63 PolarHBondContact SG-CE1 2.86Å; C44-H63 PolarHBondContact SG-ND1 3.44Å
45S90.3Very high86.7Confident94 Ų9467.1 Ų67.166%0.65738%0.382SS*.  trans58.19.5-177.3-48.60000115.1C41C41-S45 WeakPolarHBondContact O-CA 3.25Å; C41-S45 PolarHBondContact O-N 2.81Å
46L89.3Confident87.1Confident108 Ų10864.4 Ų64.457%0.56537%0.374SS*.  trans-83.6146.7175.9-63.2175.3000110.6C41 C44C41-L46 PolarHBondContact N-O 2.91Å; C44-L46 HydrophobicContact CB-CG 4.42Å; C44-L46 PolarHBondContact O-N 3.33Å
47P88Confident87.3Confident65 Ų6565.1 Ų65.142%0.42237%0.372SS..BIsolated β-bridgetrans-64.1134.5176.425.9-33.1000110.9G49P47-G49 PolarHBondContact O-N 3.27Å
48I89.1Confident87.3Confident6 Ų668.5 Ų68.53%0.03139%0.387CS..  trans-81108174-58.7168000107S38 N39 C41 C52 D54 H61S38-I48 VanDerWaalsContact CB-O 3.28Å; S38-I48 WeakPolarHBondContact CB-O 3.42Å; S38-I48 PolarHBondContact OG-O 3.04Å; N39-I48 WeakPolarHBondContact O-CB 3.49Å; N39-I48 PolarHBondContact O-N 3.46Å; C41-I48 HydrophobicContact CB-CD1 4.2Å; C41-I48 HydrophobicContact CB-CG1 4.04Å; I48-C52 HydrophobicContact CG2-CB 3.88Å; I48-D54 HydrophobicContact CG2-CB 4.05Å; I48-H61 HydrophobicContact CD1-CB 3.72Å
49G81.9Confident87.3Confident15 Ų1574.7 Ų74.716%0.15542%0.418CS..  trans-61.9154.5-178.200000112.2P47 N51 C52P47-G49 PolarHBondContact O-N 3.27Å; G49-N51 PolarHBondContact O-N 3.4Å; G49-C52 WeakPolarHBondContact O-CB 3.42Å; G49-C52 PolarHBondContact O-N 2.85Å
50C72.9Confident87.4Confident52 Ų5272.9 Ų72.935%0.35141%0.41SS..THydrogen-bonded Turntrans-62.7-17.2-176.1650000114I21 E34I21-C50 HydrophobicContact CD1-CB 3.8Å; E34-C50 PolarHBondContact OE1-N 3.07Å
51N76Confident87.5Confident131 Ų13170.9 Ų70.970%0.70139%0.393SS*.THydrogen-bonded Turntrans-94.2-0.4178.1-58-41.3000113.1G49G49-N51 PolarHBondContact O-N 3.4Å
52C82Confident87.6Confident69 Ų6971.7 Ų71.747%0.46640%0.396SS..SBendtrans-98.2148.9179.6-64.40000110.8I48 G49 D54I48-C52 HydrophobicContact CG2-CB 3.88Å; G49-C52 WeakPolarHBondContact O-CB 3.42Å; G49-C52 PolarHBondContact O-N 2.85Å; C52-D54 PolarHBondContact O-N 3.16Å; C52-D54 VanDerWaalsContact O-N 3.08Å
53K85Confident87.7Confident96 Ų9667.4 Ų67.442%0.41738%0.376SS..  trans-69.7106171.1-166.6174.6-177.61800108.3L55 E78K53-L55 HydrophobicContact CD-CD2 4.26Å; K53-L55 HydrophobicContact CG-CD2 4.13Å; K53-L55 PolarHBondContact O-N 2.83Å; K53-E78 IonicContact NZ-OE1 3.49Å; K53-E78 PolarHBondContact NZ-OE1 3.47Å
54D89.6Confident87.7Confident63 Ų6368.4 Ų68.434%0.33738%0.375SS..EExtended strand (participates in β ladder)trans-79.6106.9173.9-1751.7000109.3N39 I48 C52 H61N39-D54 PolarHBondContact ND2-OD2 3Å; I48-D54 HydrophobicContact CG2-CB 4.05Å; C52-D54 PolarHBondContact O-N 3.16Å; C52-D54 VanDerWaalsContact O-N 3.08Å; D54-H61 IonicContact OD1-CE1 3.93Å; D54-H61 IonicContact OD1-CG 3.56Å; D54-H61 IonicContact OD1-ND1 2.8Å; D54-H61 PolarHBondContact OD1-ND1 2.87Å; D54-H61 IonicContact OD2-CE1 2.63Å; D54-H61 PolarHBondContact OD2-CE1 3.41Å; D54-H61 IonicContact OD2-ND1 2.95Å; D54-H61 PolarHBondContact OD2-ND1 3.08Å
55L91.6Very high87.7Confident29 Ų2973.7 Ų73.715%0.15240%0.395CS..EExtended strand (participates in β ladder)trans-92.5123.3175.2-62.3176.6000108.6K53 H61 W62 E64 F67 V77K53-L55 HydrophobicContact CD-CD2 4.26Å; K53-L55 HydrophobicContact CG-CD2 4.13Å; K53-L55 PolarHBondContact O-N 2.83Å; L55-H61 CarbonylContact O-C 3.54Å; L55-H61 WeakPolarHBondContact O-CA 3.42Å; L55-W62 PolarHBondContact N-O 3.08Å; L55-W62 VanDerWaalsContact N-O 3.16Å; L55-W62 PolarHBondContact O-N 3.02Å; L55-E64 HydrophobicContact CD1-CB 4.48Å; L55-E64 HydrophobicContact CD1-CG 4.48Å; L55-F67 HydrophobicContact CB-CD2 4.32Å; L55-F67 HydrophobicContact CB-CG 4.37Å; L55-F67 HydrophobicContact CD1-CB 3.5Å; L55-F67 HydrophobicContact CD1-CD1 3.91Å; L55-F67 HydrophobicContact CD1-CD2 4.46Å; L55-F67 HydrophobicContact CD1-CG 3.71Å; L55-V77 HydrophobicContact CD1-CG1 4.3Å; L55-V77 HydrophobicContact CD1-CG2 3.8Å
56S91.1Very high87.8Confident80 Ų8069.9 Ų69.956%0.55937%0.369SS*.EExtended strand (participates in β ladder)trans-122.7146-177.964.90000113.5C60S56-C60 VanDerWaalsContact CA-O 3.26Å; S56-C60 WeakPolarHBondContact CA-O 3.4Å
57Y88.9Confident88.1Confident83 Ų8365.3 Ų65.333%0.32534%0.344SS..EExtended strand (participates in β ladder)trans-157.9125.1174.5178.3-98.4000109.6D59 C60 F81 A83Y57-D59 VanDerWaalsContact C-N 3.33Å; Y57-D59 PolarHBondContact O-N 3.02Å; Y57-C60 PolarHBondContact N-O 2.8Å; Y57-C60 PolarHBondContact O-N 2.95Å; Y57-C60 VanDerWaalsContact O-N 3.14Å; Y57-F81 HydrophobicContact CD1-CE2 4.29Å; Y57-F81 HydrophobicContact CD2-CE2 4.12Å; Y57-F81 AromaticContact CD2-CZ 3.72Å; Y57-F81 HydrophobicContact CD2-CZ 3.72Å; Y57-F81 HydrophobicContact CE1-CE2 4.34Å; Y57-F81 HydrophobicContact CE2-CE2 4.17Å; Y57-F81 HydrophobicContact CE2-CZ 4.05Å; Y57-F81 HydrophobicContact CG-CE2 4.17Å; Y57-F81 AromaticContact CG-CZ 4Å; Y57-F81 HydrophobicContact CG-CZ 4Å; Y57-A83 HydrophobicContact CD1-CB 4.34Å; Y57-A83 HydrophobicContact CE1-CB 3.44Å; Y57-A83 VanDerWaalsContact CE1-CB 3.44Å
58K86.1Confident88.4Confident137 Ų13766.4 Ų66.460%0.59634%0.342SS*.THydrogen-bonded Turntrans4751.6-177.3-67.6-174.4176.4-1770113.1C60K58-C60 PolarHBondContact O-N 3.14Å
59D87Confident88.7Confident155 Ų15566.1 Ų66.183%0.82934%0.341SS*.THydrogen-bonded Turntrans64.31.6178.5-49.8-44.6000116.2Y57 H61Y57-D59 VanDerWaalsContact C-N 3.33Å; Y57-D59 PolarHBondContact O-N 3.02Å; D59-H61 PolarHBondContact O-CD2 3.3Å
60C90.9Very high89.2Confident27 Ų2768.2 Ų68.218%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-91.4151.2168-71.90000110.5E42 S56 Y57 K58 W62E42-C60 PolarHBondContact OE2-SG 3.34Å; S56-C60 VanDerWaalsContact CA-O 3.26Å; S56-C60 WeakPolarHBondContact CA-O 3.4Å; Y57-C60 PolarHBondContact N-O 2.8Å; Y57-C60 PolarHBondContact O-N 2.95Å; Y57-C60 VanDerWaalsContact O-N 3.14Å; K58-C60 PolarHBondContact O-N 3.14Å; C60-W62 VanDerWaalsContact C-CZ3 3.42Å; C60-W62 HydrophobicContact CB-CE3 4.37Å; C60-W62 HydrophobicContact CB-CH2 3.12Å; C60-W62 HydrophobicContact CB-CZ2 3.66Å; C60-W62 HydrophobicContact CB-CZ3 3.52Å; C60-W62 WeakPolarHBondContact O-CZ3 3.4Å
61H93Very high90.2Very high35 Ų3571.5 Ų71.516%0.16237%0.365CS..EExtended strand (participates in β ladder)trans-128.1145-174.4-69.8-97000111.4N39 C41 E42 I48 D54 L55 D59N39-H61 HydrophobicContact CB-CB 3.78Å; N39-H61 VanDerWaalsContact CB-CG 3.46Å; N39-H61 VanDerWaalsContact CG-CE1 3.45Å; N39-H61 PolarHBondContact ND2-CE1 2.94Å; N39-H61 PolarHBondContact ND2-ND1 3.49Å; C41-H61 CarbonylContact C-O 3.53Å; C41-H61 VanDerWaalsContact CA-O 3.29Å; C41-H61 WeakPolarHBondContact CA-O 3.28Å; E42-H61 PolarHBondContact N-O 2.91Å; I48-H61 HydrophobicContact CD1-CB 3.72Å; D54-H61 IonicContact OD1-CE1 3.93Å; D54-H61 IonicContact OD1-CG 3.56Å; D54-H61 IonicContact OD1-ND1 2.8Å; D54-H61 PolarHBondContact OD1-ND1 2.87Å; D54-H61 IonicContact OD2-CE1 2.63Å; D54-H61 PolarHBondContact OD2-CE1 3.41Å; D54-H61 IonicContact OD2-ND1 2.95Å; D54-H61 PolarHBondContact OD2-ND1 3.08Å; L55-H61 CarbonylContact O-C 3.54Å; L55-H61 WeakPolarHBondContact O-CA 3.42Å; D59-H61 PolarHBondContact O-CD2 3.3Å
62W93.9Very high91Very high18 Ų1867.5 Ų67.57%0.06835%0.347CS..EExtended strand (participates in β ladder)trans-139.9142.5-179.4-63.8-96.9000112E42 L55 C60 C66 F67 L88E42-W62 HydrophobicContact CB-CD2 4.44Å; E42-W62 HydrophobicContact CB-CZ2 4.13Å; E42-W62 HydrophobicContact CG-CZ2 4.22Å; L55-W62 PolarHBondContact N-O 3.08Å; L55-W62 VanDerWaalsContact N-O 3.16Å; L55-W62 PolarHBondContact O-N 3.02Å; C60-W62 VanDerWaalsContact C-CZ3 3.42Å; C60-W62 HydrophobicContact CB-CE3 4.37Å; C60-W62 HydrophobicContact CB-CH2 3.12Å; C60-W62 HydrophobicContact CB-CZ2 3.66Å; C60-W62 HydrophobicContact CB-CZ3 3.52Å; C60-W62 WeakPolarHBondContact O-CZ3 3.4Å; W62-C66 HydrophobicContact CB-CB 4.46Å; W62-F67 HydrophobicContact CB-CB 3.99Å; W62-F67 HydrophobicContact CB-CD2 3.88Å; W62-F67 HydrophobicContact CB-CG 4.43Å; W62-F67 AromaticContact CD2-CD2 3.77Å; W62-F67 HydrophobicContact CD2-CD2 3.77Å; W62-F67 HydrophobicContact CD2-CE2 4.19Å; W62-F67 AromaticContact CE3-CD2 3.83Å; W62-F67 HydrophobicContact CE3-CD2 3.83Å; W62-F67 AromaticContact CE3-CE2 3.88Å; W62-F67 HydrophobicContact CE3-CE2 3.88Å; W62-F67 AromaticContact CG-CD2 3.81Å; W62-F67 HydrophobicContact CG-CD2 3.81Å; W62-F67 HydrophobicContact CZ3-CE2 4.23Å; W62-L88 HydrophobicContact CD2-CD1 4.32Å; W62-L88 HydrophobicContact CH2-CD1 4.32Å; W62-L88 HydrophobicContact CZ2-CD1 3.87Å; W62-L88 HydrophobicContact CZ2-CG 4.36Å
63H93.1Very high91.6Very high23 Ų2367.8 Ų67.811%0.10635%0.35CS..EExtended strand (participates in β ladder)trans-60.4150157.6-61.6107.1000110C41 C44 Q65 C66 F67C41-H63 VanDerWaalsContact CB-CE1 3.48Å; C41-H63 WeakPolarHBondContact CB-CE1 3.11Å; C41-H63 WeakPolarHBondContact CB-ND1 3.34Å; C41-H63 PolarHBondContact SG-ND1 3.47Å; C44-H63 PolarHBondContact SG-CE1 2.86Å; C44-H63 PolarHBondContact SG-ND1 3.44Å; H63-Q65 VanDerWaalsContact C-N 3.25Å; H63-Q65 HydrophobicContact CB-CG 4Å; H63-Q65 PolarHBondContact O-N 2.86Å; H63-C66 HydrophobicContact CB-CB 3.98Å; H63-C66 CarbonylContact O-C 3.5Å; H63-C66 WeakPolarHBondContact O-CA 3.26Å; H63-C66 WeakPolarHBondContact O-CB 3.2Å; H63-C66 PolarHBondContact O-N 3.12Å; H63-F67 PolarHBondContact O-N 3.38Å
64E91.1Very high92Very high103 Ų10369.9 Ų69.948%0.48136%0.355SS..THydrogen-bonded Turntrans-50.5-44.6174.7-167.7176172.900113L55 C66 F67 V77L55-E64 HydrophobicContact CD1-CB 4.48Å; L55-E64 HydrophobicContact CD1-CG 4.48Å; E64-C66 VanDerWaalsContact C-N 3.29Å; E64-C66 PolarHBondContact O-N 2.84Å; E64-F67 PolarHBondContact O-N 2.93Å; E64-V77 HydrophobicContact CG-CG1 4.4Å; E64-V77 HydrophobicContact CG-CG2 3.73Å
65Q90.8Very high92.2Very high158 Ų15870.7 Ų70.774%0.73836%0.363SS*.THydrogen-bonded Turntrans-71-19.9176.767.2-160.315.300114.6H63H63-Q65 VanDerWaalsContact C-N 3.25Å; H63-Q65 HydrophobicContact CB-CG 4Å; H63-Q65 PolarHBondContact O-N 2.86Å
66C92.8Very high92.4Very high14 Ų1469.4 Ų69.410%0.09536%0.357CS..THydrogen-bonded Turntrans-92.1-19178.6-68.70000112.1C41 V43 W62 H63 E64 K68C41-C66 VanDerWaalsContact SG-CB 3.55Å; V43-C66 HydrophobicContact CB-CB 4Å; V43-C66 HydrophobicContact CG1-CB 4.46Å; V43-C66 HydrophobicContact CG2-CB 4.24Å; W62-C66 HydrophobicContact CB-CB 4.46Å; H63-C66 HydrophobicContact CB-CB 3.98Å; H63-C66 CarbonylContact O-C 3.5Å; H63-C66 WeakPolarHBondContact O-CA 3.26Å; H63-C66 WeakPolarHBondContact O-CB 3.2Å; H63-C66 PolarHBondContact O-N 3.12Å; E64-C66 VanDerWaalsContact C-N 3.29Å; E64-C66 PolarHBondContact O-N 2.84Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 3.02Å
67F94.7Very high92.5Very high13 Ų1366.7 Ų66.76%0.05734%0.337CS..  trans-80.575.3178.6-162.1-102.2000111.5L55 W62 H63 E64 L76 V77 F81 L88L55-F67 HydrophobicContact CB-CD2 4.32Å; L55-F67 HydrophobicContact CB-CG 4.37Å; L55-F67 HydrophobicContact CD1-CB 3.5Å; L55-F67 HydrophobicContact CD1-CD1 3.91Å; L55-F67 HydrophobicContact CD1-CD2 4.46Å; L55-F67 HydrophobicContact CD1-CG 3.71Å; W62-F67 HydrophobicContact CB-CB 3.99Å; W62-F67 HydrophobicContact CB-CD2 3.88Å; W62-F67 HydrophobicContact CB-CG 4.43Å; W62-F67 AromaticContact CD2-CD2 3.77Å; W62-F67 HydrophobicContact CD2-CD2 3.77Å; W62-F67 HydrophobicContact CD2-CE2 4.19Å; W62-F67 AromaticContact CE3-CD2 3.83Å; W62-F67 HydrophobicContact CE3-CD2 3.83Å; W62-F67 AromaticContact CE3-CE2 3.88Å; W62-F67 HydrophobicContact CE3-CE2 3.88Å; W62-F67 AromaticContact CG-CD2 3.81Å; W62-F67 HydrophobicContact CG-CD2 3.81Å; W62-F67 HydrophobicContact CZ3-CE2 4.23Å; H63-F67 PolarHBondContact O-N 3.38Å; E64-F67 PolarHBondContact O-N 2.93Å; F67-L76 HydrophobicContact CD1-CB 3.66Å; F67-L76 HydrophobicContact CE1-CB 3.61Å; F67-L76 PolarHBondContact O-N 3.32Å; F67-V77 HydrophobicContact CD1-CG2 4.41Å; F67-F81 HydrophobicContact CE1-CD1 4.29Å; F67-F81 HydrophobicContact CE1-CE1 4.22Å; F67-F81 HydrophobicContact CZ-CD1 4.16Å; F67-F81 AromaticContact CZ-CE1 3.77Å; F67-F81 HydrophobicContact CZ-CE1 3.77Å; F67-F81 HydrophobicContact CZ-CE2 4.4Å; F67-F81 AromaticContact CZ-CZ 3.9Å; F67-F81 HydrophobicContact CZ-CZ 3.9Å; F67-L88 HydrophobicContact CD2-CD1 3.6Å; F67-L88 HydrophobicContact CE2-CD1 3.37Å; F67-L88 HydrophobicContact CG-CD1 4.46Å; F67-L88 HydrophobicContact CZ-CD1 4.05Å
68K95.3Very high92.4Very high87 Ų8770.9 Ų70.938%0.37836%0.359SS..BIsolated β-bridgetrans-133.7158.6-172.765.6-170.6175.3-175.10112.2C66 A70 R74C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 3.02Å; K68-A70 PolarHBondContact O-N 3.4Å; K68-R74 WeakPolarHBondContact CA-O 3.13Å
69C94.9Very high92.6Very high0 Ų070 Ų700%036%0.355CS..  trans-63.7127.3177.1177.90000110.9K71 C72 S73 R74 L76 L88 C90C69-K71 PolarHBondContact O-N 3.2Å; C69-K71 VanDerWaalsContact O-N 3.12Å; C69-C72 VanDerWaalsContact CB-SG 3.54Å; C69-S73 WeakPolarHBondContact O-CA 3.4Å; C69-S73 PolarHBondContact O-N 3.36Å; C69-R74 PolarHBondContact N-O 2.98Å; C69-L76 HydrophobicContact CB-CD1 4.44Å; C69-L76 HydrophobicContact CB-CD2 4.19Å; C69-L76 HydrophobicContact CB-CG 4.39Å; C69-L88 CarbonylContact C-O 3.52Å; C69-L88 WeakPolarHBondContact CA-O 3.45Å; C69-C90 HydrophobicContact CB-CB 4.19Å; C69-C90 PolarHBondContact SG-N 2.93Å
70A93.2Very high92.7Very high59 Ų5967.3 Ų67.349%0.48835%0.346SS..THydrogen-bonded Turntrans-61.2-22.7-179.300000113.8K68 Q87 L88 L89K68-A70 PolarHBondContact O-N 3.4Å; A70-Q87 HydrophobicContact CB-CB 4.19Å; A70-L88 PolarHBondContact N-O 2.96Å; A70-L89 HydrophobicContact CB-CD2 4.18Å
71K92.3Very high92.8Very high122 Ų12269 Ų6953%0.5335%0.351SS..THydrogen-bonded Turntrans-95.2-49.6-178.7-69.7-74.4-175.4171.50113.7C69 L89 C93C69-K71 PolarHBondContact O-N 3.2Å; C69-K71 VanDerWaalsContact O-N 3.12Å; K71-L89 HydrophobicContact CB-CD2 4.22Å; K71-L89 HydrophobicContact CG-CD2 3.55Å; K71-C93 HydrophobicContact CB-CB 4.14Å
72C94.3Very high92.6Very high47 Ų4768.4 Ų68.432%0.31835%0.352SS..THydrogen-bonded Turntrans-106.7-1.2-173.669.20000114.1C69 R74C69-C72 VanDerWaalsContact CB-SG 3.54Å; C72-R74 HydrophobicContact CB-CG 4.47Å; C72-R74 PolarHBondContact O-N 3.41Å
73S93.8Very high92.4Very high75 Ų7569.3 Ų69.352%0.52436%0.363SS..  trans57.69.5-178.3-62.80000115.9C69C69-S73 WeakPolarHBondContact O-CA 3.4Å; C69-S73 PolarHBondContact O-N 3.36Å
74R94.2Very high92Very high140 Ų14071.4 Ų71.453%0.52837%0.372SS..  trans-67.7139.8175.3-68.4-179.5-179.1162.51.7110.4K68 C69 C72 E92K68-R74 WeakPolarHBondContact CA-O 3.13Å; C69-R74 PolarHBondContact N-O 2.98Å; C72-R74 HydrophobicContact CB-CG 4.47Å; C72-R74 PolarHBondContact O-N 3.41Å; R74-E92 IonicContact NH1-OE2 3.89Å; R74-E92 PolarHBondContact NH1-OE2 3.42Å
75P94.3Very high91.8Very high79 Ų7972.3 Ų72.351%0.51338%0.38SS..BIsolated β-bridgetrans-60.1136.4175.9-20.631000111.6
76L94.5Very high91.5Very high3 Ų372.5 Ų72.52%0.01638%0.381CS..  trans-102.2-2179.3-65.2176.7000113.2F67 C69 E78 K79 F81 L88 C90F67-L76 HydrophobicContact CD1-CB 3.66Å; F67-L76 HydrophobicContact CE1-CB 3.61Å; F67-L76 PolarHBondContact O-N 3.32Å; C69-L76 HydrophobicContact CB-CD1 4.44Å; C69-L76 HydrophobicContact CB-CD2 4.19Å; C69-L76 HydrophobicContact CB-CG 4.39Å; L76-E78 PolarHBondContact O-N 2.97Å; L76-K79 PolarHBondContact O-N 3.47Å; L76-F81 HydrophobicContact CD1-CB 3.97Å; L76-F81 HydrophobicContact CD2-CB 4.12Å; L76-F81 HydrophobicContact CG-CB 4.44Å; L76-L88 HydrophobicContact CD1-CB 3.66Å; L76-C90 HydrophobicContact CD2-CB 3.65Å
77V92.7Very high91.3Very high23 Ų2376.2 Ų76.214%0.13940%0.397CS..THydrogen-bonded Turntrans-53125.4178.3-168.70000109.4L55 E64 F67 K79L55-V77 HydrophobicContact CD1-CG1 4.3Å; L55-V77 HydrophobicContact CD1-CG2 3.8Å; E64-V77 HydrophobicContact CG-CG1 4.4Å; E64-V77 HydrophobicContact CG-CG2 3.73Å; F67-V77 HydrophobicContact CD1-CG2 4.41Å; V77-K79 PolarHBondContact O-N 3.33Å
78E88Confident91.2Very high171 Ų17176.2 Ų76.280%0.79940%0.398SS*.THydrogen-bonded Turntrans58.914.2179.8-65.1165.5-162.100115K53 L76K53-E78 IonicContact NZ-OE1 3.49Å; K53-E78 PolarHBondContact NZ-OE1 3.47Å; L76-E78 PolarHBondContact O-N 2.97Å
79K89.9Confident91.1Very high117 Ų11772.1 Ų72.151%0.50938%0.38SS..SBendtrans-111.6148.1177-67.6176.6-171.3166.90110.8L76 V77 F81L76-K79 PolarHBondContact O-N 3.47Å; V77-K79 PolarHBondContact O-N 3.33Å; K79-F81 PolarHBondContact O-N 2.91Å
80P89.6Confident91Very high99 Ų9972.8 Ų72.864%0.64339%0.385SS*.  trans-58.5135.4170.2-20.831.8000111T91P80-T91 HydrophobicContact CB-CG2 3.84Å
81F91.8Very high90.8Very high63 Ų6373.2 Ų73.228%0.27638%0.381SS..EExtended strand (participates in β ladder)trans-139.2164.7177.268.5-88.4000110.5Y57 F67 L76 K79 L88 L89Y57-F81 HydrophobicContact CD1-CE2 4.29Å; Y57-F81 HydrophobicContact CD2-CE2 4.12Å; Y57-F81 AromaticContact CD2-CZ 3.72Å; Y57-F81 HydrophobicContact CD2-CZ 3.72Å; Y57-F81 HydrophobicContact CE1-CE2 4.34Å; Y57-F81 HydrophobicContact CE2-CE2 4.17Å; Y57-F81 HydrophobicContact CE2-CZ 4.05Å; Y57-F81 HydrophobicContact CG-CE2 4.17Å; Y57-F81 AromaticContact CG-CZ 4Å; Y57-F81 HydrophobicContact CG-CZ 4Å; F67-F81 HydrophobicContact CE1-CD1 4.29Å; F67-F81 HydrophobicContact CE1-CE1 4.22Å; F67-F81 HydrophobicContact CZ-CD1 4.16Å; F67-F81 AromaticContact CZ-CE1 3.77Å; F67-F81 HydrophobicContact CZ-CE1 3.77Å; F67-F81 HydrophobicContact CZ-CE2 4.4Å; F67-F81 AromaticContact CZ-CZ 3.9Å; F67-F81 HydrophobicContact CZ-CZ 3.9Å; L76-F81 HydrophobicContact CD1-CB 3.97Å; L76-F81 HydrophobicContact CD2-CB 4.12Å; L76-F81 HydrophobicContact CG-CB 4.44Å; K79-F81 PolarHBondContact O-N 2.91Å; F81-L88 HydrophobicContact CD2-CD2 3.82Å; F81-L88 HydrophobicContact CE2-CD2 3.68Å; F81-L89 WeakPolarHBondContact CA-O 3.38Å; F81-L89 WeakPolarHBondContact CB-O 3.36Å
82A89.7Confident90.5Very high23 Ų2373 Ų7319%0.1938%0.382CS..EExtended strand (participates in β ladder)trans-120.2133.3171.300000108.9L89 Y94A82-L89 PolarHBondContact N-O 2.96Å; A82-L89 PolarHBondContact O-N 2.97Å; A82-Y94 HydrophobicContact CB-CD1 4.25Å; A82-Y94 HydrophobicContact CB-CD2 3.4Å; A82-Y94 VanDerWaalsContact CB-CD2 3.4Å; A82-Y94 HydrophobicContact CB-CE2 3.89Å; A82-Y94 HydrophobicContact CB-CG 3.61Å
83A90.1Very high90.3Very high36 Ų3671.9 Ų71.930%0.29837%0.374SS..EExtended strand (participates in β ladder)trans-99.8119.817100000108.9Y57 Q87 L88Y57-A83 HydrophobicContact CD1-CB 4.34Å; Y57-A83 HydrophobicContact CE1-CB 3.44Å; Y57-A83 VanDerWaalsContact CE1-CB 3.44Å; A83-Q87 WeakPolarHBondContact CA-O 3.4Å; A83-L88 HydrophobicContact CB-CD2 4.19Å
84K85.1Confident90.1Very high67 Ų6771.1 Ų71.129%0.29136%0.36SS..EExtended strand (participates in β ladder)trans-141.5131.1177-178173.3174.7-1770109.4E86 Q87 Y94 Y98K84-E86 VanDerWaalsContact C-N 3.26Å; K84-E86 PolarHBondContact O-N 2.86Å; K84-Q87 PolarHBondContact N-O 3.24Å; K84-Q87 WeakPolarHBondContact O-CB 3.35Å; K84-Q87 PolarHBondContact O-N 3.01Å; K84-Y94 HydrophobicContact CB-CE2 4.08Å; K84-Y94 HydrophobicContact CD-CE2 3.89Å; K84-Y98 HydrophobicContact CD-CD1 4.42Å; K84-Y98 HydrophobicContact CD-CD2 4.12Å; K84-Y98 HydrophobicContact CD-CE1 4.15Å; K84-Y98 HydrophobicContact CD-CE2 3.84Å; K84-Y98 HydrophobicContact CD-CG 4.39Å
85D86Confident89.6Confident123 Ų12365.1 Ų65.166%0.65834%0.34SS*.THydrogen-bonded Turntrans51.645.3-178.9-49.7-39.8000112Q87D85-Q87 PolarHBondContact O-N 2.86Å; D85-Q87 VanDerWaalsContact O-N 3.07Å
86E84.4Confident89Confident162 Ų16266.9 Ų66.976%0.75734%0.341SS*.THydrogen-bonded Turntrans59.811.4-174.9-52.8-50.3133.800115.9K84K84-E86 VanDerWaalsContact C-N 3.26Å; K84-E86 PolarHBondContact O-N 2.86Å
87Q89.2Confident88.4Confident91 Ų9171.2 Ų71.243%0.42536%0.361SS..EExtended strand (participates in β ladder)trans-103.4133.4175-62.4-175-3.300111.9A70 A83 K84 D85A70-Q87 HydrophobicContact CB-CB 4.19Å; A83-Q87 WeakPolarHBondContact CA-O 3.4Å; K84-Q87 PolarHBondContact N-O 3.24Å; K84-Q87 WeakPolarHBondContact O-CB 3.35Å; K84-Q87 PolarHBondContact O-N 3.01Å; D85-Q87 PolarHBondContact O-N 2.86Å; D85-Q87 VanDerWaalsContact O-N 3.07Å
88L92.4Very high87.8Confident14 Ų1474.4 Ų74.47%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-84.7120171.3-58.1176.5000110W62 F67 C69 A70 L76 F81 A83W62-L88 HydrophobicContact CD2-CD1 4.32Å; W62-L88 HydrophobicContact CH2-CD1 4.32Å; W62-L88 HydrophobicContact CZ2-CD1 3.87Å; W62-L88 HydrophobicContact CZ2-CG 4.36Å; F67-L88 HydrophobicContact CD2-CD1 3.6Å; F67-L88 HydrophobicContact CE2-CD1 3.37Å; F67-L88 HydrophobicContact CG-CD1 4.46Å; F67-L88 HydrophobicContact CZ-CD1 4.05Å; C69-L88 CarbonylContact C-O 3.52Å; C69-L88 WeakPolarHBondContact CA-O 3.45Å; A70-L88 PolarHBondContact N-O 2.96Å; L76-L88 HydrophobicContact CD1-CB 3.66Å; F81-L88 HydrophobicContact CD2-CD2 3.82Å; F81-L88 HydrophobicContact CE2-CD2 3.68Å; A83-L88 HydrophobicContact CB-CD2 4.19Å
89L93.1Very high87.5Confident0 Ų067.2 Ų67.20%034%0.34CS..EExtended strand (participates in β ladder)trans-121.2137.6179.5-63.6173.6000110.4A70 K71 F81 A82 Y94 Y98A70-L89 HydrophobicContact CB-CD2 4.18Å; K71-L89 HydrophobicContact CB-CD2 4.22Å; K71-L89 HydrophobicContact CG-CD2 3.55Å; F81-L89 WeakPolarHBondContact CA-O 3.38Å; F81-L89 WeakPolarHBondContact CB-O 3.36Å; A82-L89 PolarHBondContact N-O 2.96Å; A82-L89 PolarHBondContact O-N 2.97Å; L89-Y94 HydrophobicContact CD1-CD2 4.19Å; L89-Y98 HydrophobicContact CD1-CE2 3.72Å
90C92.3Very high87.4Confident15 Ų1563.6 Ų63.610%0.10133%0.329CS..EExtended strand (participates in β ladder)trans-65.3155.2166.970.70000109.8C69 L76 E92 C93 Y94C69-C90 HydrophobicContact CB-CB 4.19Å; C69-C90 PolarHBondContact SG-N 2.93Å; L76-C90 HydrophobicContact CD2-CB 3.65Å; C90-E92 PolarHBondContact O-N 3Å; C90-C93 PolarHBondContact O-N 3.22Å; C90-C93 PolarHBondContact SG-N 3.46Å; C90-C93 VanDerWaalsContact SG-N 3.37Å; C90-C93 PolarHBondContact SG-SG 3.33Å; C90-Y94 WeakPolarHBondContact O-CB 3.39Å; C90-Y94 PolarHBondContact O-N 2.92Å
91T88.3Confident87.4Confident67 Ų6764.8 Ų64.841%0.41133%0.325SS..Hα-helixtrans-53.9-37.6-179.949.70000113P80 S95P80-T91 HydrophobicContact CB-CG2 3.84Å; T91-S95 WeakPolarHBondContact O-CB 3.48Å; T91-S95 PolarHBondContact O-N 3.48Å; T91-S95 PolarHBondContact O-OG 3.15Å
92E86.9Confident87.4Confident117 Ų11761.9 Ų61.955%0.54731%0.312SS..Hα-helixtrans-63.7-53.6177.2-170.9175-161.400111.6R74 C90 Y94 S95 H96R74-E92 IonicContact NH1-OE2 3.89Å; R74-E92 PolarHBondContact NH1-OE2 3.42Å; C90-E92 PolarHBondContact O-N 3Å; E92-Y94 PolarHBondContact O-N 3.49Å; E92-S95 PolarHBondContact O-N 3.26Å; E92-S95 PolarHBondContact O-OG 3.47Å; E92-H96 PolarHBondContact O-N 2.88Å
93C90Very high87.6Confident24 Ų2462.1 Ų62.116%0.16231%0.312CS..Hα-helixtrans-63.4-41.7177.8-70.40000112.1K71 C90 S95 H96 E97K71-C93 HydrophobicContact CB-CB 4.14Å; C90-C93 PolarHBondContact O-N 3.22Å; C90-C93 PolarHBondContact SG-N 3.46Å; C90-C93 VanDerWaalsContact SG-N 3.37Å; C90-C93 PolarHBondContact SG-SG 3.33Å; C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 2.89Å; C93-H96 PolarHBondContact O-N 3.17Å; C93-E97 WeakPolarHBondContact O-CG 3.49Å; C93-E97 PolarHBondContact O-N 2.77Å
94Y88.9Confident87.7Confident59 Ų5964.3 Ų64.323%0.23132%0.322CS..Hα-helixtrans-60.6-45.5175.6-176.5-88.6000111.3A82 K84 L89 C90 E92 H96 E97 Y98 P111A82-Y94 HydrophobicContact CB-CD1 4.25Å; A82-Y94 HydrophobicContact CB-CD2 3.4Å; A82-Y94 VanDerWaalsContact CB-CD2 3.4Å; A82-Y94 HydrophobicContact CB-CE2 3.89Å; A82-Y94 HydrophobicContact CB-CG 3.61Å; K84-Y94 HydrophobicContact CB-CE2 4.08Å; K84-Y94 HydrophobicContact CD-CE2 3.89Å; L89-Y94 HydrophobicContact CD1-CD2 4.19Å; C90-Y94 WeakPolarHBondContact O-CB 3.39Å; C90-Y94 PolarHBondContact O-N 2.92Å; E92-Y94 PolarHBondContact O-N 3.49Å; Y94-H96 VanDerWaalsContact C-N 3.34Å; Y94-H96 PolarHBondContact O-N 3.37Å; Y94-E97 PolarHBondContact O-N 3.18Å; Y94-Y98 AromaticContact CD2-CD2 3.56Å; Y94-Y98 HydrophobicContact CD2-CD2 3.56Å; Y94-Y98 HydrophobicContact CD2-CE2 4.02Å; Y94-Y98 AromaticContact CE2-CD2 3.64Å; Y94-Y98 HydrophobicContact CE2-CD2 3.64Å; Y94-Y98 HydrophobicContact CE2-CE2 4.21Å; Y94-Y98 HydrophobicContact CE2-CG 4.38Å; Y94-Y98 HydrophobicContact CG-CD2 4.02Å; Y94-Y98 WeakPolarHBondContact O-CB 3.18Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.46Å; Y94-Y98 PolarHBondContact O-N 3.03Å; Y94-P111 HydrophobicContact CD1-CG 3.72Å; Y94-P111 HydrophobicContact CE1-CB 3.99Å; Y94-P111 HydrophobicContact CE1-CG 3.5Å
95S83.8Confident88.1Confident14 Ų1463.4 Ų63.410%0.09832%0.324CS..Hα-helixtrans-65.3-36.9178.977.30000112.3T91 E92 C93 E97 S99T91-S95 WeakPolarHBondContact O-CB 3.48Å; T91-S95 PolarHBondContact O-N 3.48Å; T91-S95 PolarHBondContact O-OG 3.15Å; E92-S95 PolarHBondContact O-N 3.26Å; E92-S95 PolarHBondContact O-OG 3.47Å; C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact O-N 2.89Å; S95-E97 PolarHBondContact O-N 3.23Å; S95-S99 WeakPolarHBondContact CA-OG 3.47Å; S95-S99 WeakPolarHBondContact O-CB 3.14Å; S95-S99 PolarHBondContact O-N 3.41Å; S95-S99 VanDerWaalsContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 3.48Å
96H82.1Confident88.3Confident117 Ų11764.6 Ų64.654%0.54232%0.323SS..Hα-helixtrans-63.5-42178.7-177-91.8000112.3E92 C93 Y94E92-H96 PolarHBondContact O-N 2.88Å; C93-H96 PolarHBondContact O-N 3.17Å; Y94-H96 VanDerWaalsContact C-N 3.34Å; Y94-H96 PolarHBondContact O-N 3.37Å
97E81.2Confident88.5Confident94 Ų9464 Ų6444%0.43932%0.318SS..Hα-helixtrans-83.2-34.7-175.1-62.8-60.6115.500113.1C93 Y94 S95C93-E97 WeakPolarHBondContact O-CG 3.49Å; C93-E97 PolarHBondContact O-N 2.77Å; Y94-E97 PolarHBondContact O-N 3.18Å; S95-E97 PolarHBondContact O-N 3.23Å
98Y80.1Confident88.5Confident89 Ų8961.8 Ų61.835%0.34931%0.311SS..Hα-helixtrans-121.5-4.1-164.2-55.2-61000115.2K84 L89 Y94K84-Y98 HydrophobicContact CD-CD1 4.42Å; K84-Y98 HydrophobicContact CD-CD2 4.12Å; K84-Y98 HydrophobicContact CD-CE1 4.15Å; K84-Y98 HydrophobicContact CD-CE2 3.84Å; K84-Y98 HydrophobicContact CD-CG 4.39Å; L89-Y98 HydrophobicContact CD1-CE2 3.72Å; Y94-Y98 AromaticContact CD2-CD2 3.56Å; Y94-Y98 HydrophobicContact CD2-CD2 3.56Å; Y94-Y98 HydrophobicContact CD2-CE2 4.02Å; Y94-Y98 AromaticContact CE2-CD2 3.64Å; Y94-Y98 HydrophobicContact CE2-CD2 3.64Å; Y94-Y98 HydrophobicContact CE2-CE2 4.21Å; Y94-Y98 HydrophobicContact CE2-CG 4.38Å; Y94-Y98 HydrophobicContact CG-CD2 4.02Å; Y94-Y98 WeakPolarHBondContact O-CB 3.18Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.46Å; Y94-Y98 PolarHBondContact O-N 3.03Å
99S82.8Confident88.3Confident20 Ų2061.4 Ų61.414%0.1431%0.309CS..PPolyproline II helixtrans-100141.8-179.1-660000113.2S95 I109 P111S95-S99 WeakPolarHBondContact CA-OG 3.47Å; S95-S99 WeakPolarHBondContact O-CB 3.14Å; S95-S99 PolarHBondContact O-N 3.41Å; S95-S99 VanDerWaalsContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 3.48Å; S99-I109 VanDerWaalsContact CB-O 3.26Å; S99-I109 WeakPolarHBondContact CB-O 3.39Å; S99-I109 PolarHBondContact OG-O 2.88Å; S99-P111 VanDerWaalsContact OG-CD 3.22Å; S99-P111 WeakPolarHBondContact OG-CD 3.42Å; S99-P111 VanDerWaalsContact OG-CG 3.26Å; S99-P111 WeakPolarHBondContact OG-CG 3.26Å
100S86.8Confident87.9Confident41 Ų4166.1 Ų66.129%0.28733%0.332SS..PPolyproline II helixtrans-62.9140.8170.6-47.90000110.7I109S100-I109 WeakPolarHBondContact O-CB 3.22Å; S100-I109 PolarHBondContact O-N 3.37Å
101K90.4Very high87.1Confident125 Ų12568.3 Ų68.354%0.54335%0.346SS..BIsolated β-bridgetrans-89.7138.8171.7-65.1-177.2-178.1178.20109.8S103K101-S103 PolarHBondContact O-N 2.64Å
102C92.9Very high86.6Confident1 Ų169.4 Ų69.41%0.00737%0.371CS..BIsolated β-bridgetrans-66.7129.9175.6176.10000110.5T104 C105 K106 K107 I109 S122 H124 C127C102-T104 VanDerWaalsContact C-N 3.26Å; C102-T104 PolarHBondContact O-N 2.86Å; C102-C105 VanDerWaalsContact CB-SG 3.53Å; C102-K106 WeakPolarHBondContact O-CA 3.43Å; C102-K106 PolarHBondContact O-N 3.44Å; C102-K107 WeakPolarHBondContact CB-O 3.46Å; C102-K107 PolarHBondContact N-O 2.85Å; C102-I109 HydrophobicContact CB-CD1 4.14Å; C102-I109 HydrophobicContact CB-CG1 3.98Å; C102-S122 CarbonylContact C-O 3.59Å; C102-S122 WeakPolarHBondContact CA-O 3.26Å; C102-H124 VanDerWaalsContact CB-CE1 3.42Å; C102-H124 WeakPolarHBondContact CB-CE1 3.44Å; C102-H124 VanDerWaalsContact CB-ND1 3.31Å; C102-H124 WeakPolarHBondContact CB-ND1 2.97Å; C102-H124 PolarHBondContact SG-ND1 2.63Å; C102-H124 VanDerWaalsContact SG-ND1 3.41Å; C102-C127 WeakPolarHBondContact SG-CB 3.4Å
103S92.8Very high86.4Confident29 Ų2966.3 Ų66.320%0.20336%0.362CS..THydrogen-bonded Turntrans-70.7-25.7-174.3-50.20000112.3K101 K106 N121 S122K101-S103 PolarHBondContact O-N 2.64Å; S103-K106 WeakPolarHBondContact O-CE 3.12Å; S103-K106 PolarHBondContact O-NZ 2.81Å; S103-N121 WeakPolarHBondContact OG-CB 3.34Å; S103-S122 PolarHBondContact N-O 3.11Å; S103-S122 PolarHBondContact OG-N 3.46Å; S103-S122 PolarHBondContact OG-O 3.22Å
104T92.2Very high86.2Confident82 Ų8274.6 Ų74.650%0.50339%0.39SS..THydrogen-bonded Turntrans-82.3-61.4176.2-56.40000112.1C102 W123 C127C102-T104 VanDerWaalsContact C-N 3.26Å; C102-T104 PolarHBondContact O-N 2.86Å; T104-W123 PolarHBondContact OG1-NE1 3.41Å; T104-C127 PolarHBondContact OG1-O 2.84Å; T104-C127 VanDerWaalsContact OG1-O 3.12Å
105C93.2Very high86.3Confident48 Ų4876 Ų7632%0.32440%0.398SS..THydrogen-bonded Turntrans-93.5-4.7-171.573.20000114.3C102 K107 H124C102-C105 VanDerWaalsContact CB-SG 3.53Å; C105-K107 PolarHBondContact O-N 3.24Å; C105-H124 PolarHBondContact SG-CE1 3.46Å; C105-H124 PolarHBondContact SG-ND1 2.95Å; C105-H124 VanDerWaalsContact SG-ND1 3.38Å
106K90.4Very high86.7Confident148 Ų14876.8 Ų76.864%0.64340%0.4SS*.  trans61.30.8-177.9-51.4-53.7-172.1-168.80115.9C102 S103C102-K106 WeakPolarHBondContact O-CA 3.43Å; C102-K106 PolarHBondContact O-N 3.44Å; S103-K106 WeakPolarHBondContact O-CE 3.12Å; S103-K106 PolarHBondContact O-NZ 2.81Å
107K89.6Confident87.2Confident149 Ų14976.8 Ų76.865%0.64840%0.4SS*.  trans-77.6153.5174.3-59.3-177.4-179.2-179.40111.4C102 C105C102-K107 WeakPolarHBondContact CB-O 3.46Å; C102-K107 PolarHBondContact N-O 2.85Å; C105-K107 PolarHBondContact O-N 3.24Å
108T88.4Confident87.7Confident45 Ų4575.4 Ų75.428%0.27639%0.391SS..BIsolated β-bridgetrans-61.3137.3176.3-51.70000111.6H124T108-H124 PolarHBondContact O-NE2 2.92Å; T108-H124 VanDerWaalsContact O-NE2 3.11Å
109I89.3Confident88.1Confident6 Ų679.2 Ų79.23%0.03141%0.41CS..  trans-92.9115.8170.7-58.1167.9000107.4S99 S100 C102 K115 W123S99-I109 VanDerWaalsContact CB-O 3.26Å; S99-I109 WeakPolarHBondContact CB-O 3.39Å; S99-I109 PolarHBondContact OG-O 2.88Å; S100-I109 WeakPolarHBondContact O-CB 3.22Å; S100-I109 PolarHBondContact O-N 3.37Å; C102-I109 HydrophobicContact CB-CD1 4.14Å; C102-I109 HydrophobicContact CB-CG1 3.98Å; I109-K115 HydrophobicContact CD1-CB 4.45Å; I109-K115 HydrophobicContact CG2-CB 3.87Å; I109-W123 VanDerWaalsContact CD1-C 3.5Å
110M82.8Confident88.4Confident98 Ų9882.3 Ų82.348%0.48345%0.445SS..  trans-59.3138.3-172.8-69.4-59.6-68.400111.6G112 S113M110-G112 PolarHBondContact O-N 3.32Å; M110-S113 WeakPolarHBondContact O-CB 3.41Å; M110-S113 PolarHBondContact O-N 3.25Å; M110-S113 VanDerWaalsContact O-N 3.11Å; M110-S113 PolarHBondContact O-OG 3.05Å
111P76.7Confident88.6Confident61 Ų6183.7 Ų83.740%0.39645%0.449SS..THydrogen-bonded Turntrans-54.8139171.4-17.428.4000110.5Y94 S99 S113Y94-P111 HydrophobicContact CD1-CG 3.72Å; Y94-P111 HydrophobicContact CE1-CB 3.99Å; Y94-P111 HydrophobicContact CE1-CG 3.5Å; S99-P111 VanDerWaalsContact OG-CD 3.22Å; S99-P111 WeakPolarHBondContact OG-CD 3.42Å; S99-P111 VanDerWaalsContact OG-CG 3.26Å; S99-P111 WeakPolarHBondContact OG-CG 3.26Å; P111-S113 PolarHBondContact O-N 3.04Å
112G77.5Confident88.7Confident91 Ų9178.3 Ų78.394%0.93843%0.427SS*.THydrogen-bonded Turntrans77.6-11-178.400000115.3M110M110-G112 PolarHBondContact O-N 3.32Å
113S82.7Confident88.8Confident52 Ų5278.9 Ų78.936%0.36443%0.429SS..SBendtrans-76.9149170.2710000111.2M110 P111 K115M110-S113 WeakPolarHBondContact O-CB 3.41Å; M110-S113 PolarHBondContact O-N 3.25Å; M110-S113 VanDerWaalsContact O-N 3.11Å; M110-S113 PolarHBondContact O-OG 3.05Å; P111-S113 PolarHBondContact O-N 3.04Å; S113-K115 PolarHBondContact O-N 2.89Å
114R86.5Confident88.8Confident197 Ų19779.4 Ų79.474%0.74343%0.428SS*.  trans-65.3134.3173.5-71.2-174.7178.2175.5-1.2109.8E125R114-E125 HydrophobicContact CB-CG 4.1Å; R114-E125 WeakPolarHBondContact CB-OE1 2.96Å; R114-E125 WeakPolarHBondContact CD-OE1 3.05Å
115K90.3Very high88.7Confident90 Ų9078.8 Ų78.839%0.39142%0.42SS..EExtended strand (participates in β ladder)trans-132151.6179.764.5173.2167.71650110.7I109 S113 E117 W123I109-K115 HydrophobicContact CD1-CB 4.45Å; I109-K115 HydrophobicContact CG2-CB 3.87Å; S113-K115 PolarHBondContact O-N 2.89Å; K115-E117 HydrophobicContact CD-CG 4.16Å; K115-E117 WeakPolarHBondContact CD-OE1 3.42Å; K115-E117 WeakPolarHBondContact CE-OE1 3.38Å; K115-E117 HydrophobicContact CG-CG 4.25Å; K115-E117 IonicContact NZ-OE1 3.5Å; K115-E117 PolarHBondContact NZ-OE1 3.11Å; K115-W123 WeakPolarHBondContact CA-O 3.49Å
116M92.6Very high88.7Confident29 Ų2981.4 Ų81.414%0.14343%0.434CS..EExtended strand (participates in β ladder)trans-96.5137.9170.6-58.5-54.5-54.700109S122 W123 E125 F128 G138M116-S122 CarbonylContact O-C 3.59Å; M116-S122 VanDerWaalsContact O-CA 3.26Å; M116-S122 WeakPolarHBondContact O-CA 3.45Å; M116-W123 HydrophobicContact CB-CB 4.34Å; M116-W123 PolarHBondContact N-O 3.42Å; M116-W123 PolarHBondContact O-N 3.38Å; M116-E125 HydrophobicContact SD-CG 4.46Å; M116-F128 HydrophobicContact CB-CB 4.06Å; M116-F128 HydrophobicContact CB-CD1 4.27Å; M116-F128 HydrophobicContact CB-CG 4.11Å; M116-F128 HydrophobicContact CE-CD1 4.31Å; M116-F128 HydrophobicContact CG-CB 3.87Å; M116-F128 HydrophobicContact CG-CD1 4.18Å; M116-F128 HydrophobicContact CG-CG 4.22Å; M116-G138 WeakPolarHBondContact CE-O 3.31Å
117E92.2Very high88.9Confident118 Ų11875.3 Ų75.355%0.55141%0.41SS*.EExtended strand (participates in β ladder)trans-132.1134.3178.9-63.6-170.9147.900111.4K115 N121K115-E117 HydrophobicContact CD-CG 4.16Å; K115-E117 WeakPolarHBondContact CD-OE1 3.42Å; K115-E117 WeakPolarHBondContact CE-OE1 3.38Å; K115-E117 HydrophobicContact CG-CG 4.25Å; K115-E117 IonicContact NZ-OE1 3.5Å; K115-E117 PolarHBondContact NZ-OE1 3.11Å; E117-N121 WeakPolarHBondContact CA-O 3.41Å
118Y91.4Very high89.1Confident65 Ų6568.4 Ų68.426%0.25538%0.38SS..EExtended strand (participates in β ladder)trans-159.6129.6176.1-177-108.9000110.8G120 N121 F142 P144 Y149Y118-G120 VanDerWaalsContact C-N 3.29Å; Y118-G120 PolarHBondContact O-N 3.25Å; Y118-N121 PolarHBondContact N-O 3.12Å; Y118-N121 WeakPolarHBondContact O-CB 3.26Å; Y118-N121 PolarHBondContact O-N 3.46Å; Y118-F142 HydrophobicContact CD1-CE2 4.16Å; Y118-F142 HydrophobicContact CD1-CZ 4.23Å; Y118-F142 HydrophobicContact CD2-CE2 4.11Å; Y118-F142 AromaticContact CD2-CZ 3.52Å; Y118-F142 HydrophobicContact CD2-CZ 3.52Å; Y118-F142 HydrophobicContact CE1-CE2 4.21Å; Y118-F142 HydrophobicContact CE2-CE2 4.15Å; Y118-F142 AromaticContact CE2-CZ 3.89Å; Y118-F142 HydrophobicContact CE2-CZ 3.89Å; Y118-F142 HydrophobicContact CG-CE2 4.1Å; Y118-F142 AromaticContact CG-CZ 3.7Å; Y118-F142 HydrophobicContact CG-CZ 3.7Å; Y118-P144 HydrophobicContact CE1-CB 4.25Å; Y118-P144 HydrophobicContact CE1-CG 4.47Å; Y118-P144 WeakPolarHBondContact OH-CG 3.22Å; Y118-Y149 AromaticContact CD1-CE1 3.6Å; Y118-Y149 HydrophobicContact CD1-CE1 3.6Å; Y118-Y149 AromaticContact CE1-CE1 3.84Å; Y118-Y149 HydrophobicContact CE1-CE1 3.84Å
119K89.7Confident89.4Confident169 Ų16968.7 Ų68.774%0.73538%0.38SS*.THydrogen-bonded Turntrans47.945.7180-70.4-173.4171.7-177.10113.8N121K119-N121 PolarHBondContact O-N 2.96Å
120G87.8Confident89.7Confident85 Ų8568.4 Ų68.488%0.87638%0.378SS*.THydrogen-bonded Turntrans76.6-0.8177.700000115.4Y118Y118-G120 VanDerWaalsContact C-N 3.29Å; Y118-G120 PolarHBondContact O-N 3.25Å
121N91.1Very high90.3Very high70 Ų7069.3 Ų69.337%0.37438%0.381SS..EExtended strand (participates in β ladder)trans-98.1148174.6-70.7-50.1000110.5S103 E117 Y118 K119 W123S103-N121 WeakPolarHBondContact OG-CB 3.34Å; E117-N121 WeakPolarHBondContact CA-O 3.41Å; Y118-N121 PolarHBondContact N-O 3.12Å; Y118-N121 WeakPolarHBondContact O-CB 3.26Å; Y118-N121 PolarHBondContact O-N 3.46Å; K119-N121 PolarHBondContact O-N 2.96Å; N121-W123 HydrophobicContact CB-CE3 4.29Å; N121-W123 HydrophobicContact CB-CH2 3.16Å; N121-W123 HydrophobicContact CB-CZ2 3.62Å; N121-W123 HydrophobicContact CB-CZ3 3.52Å; N121-W123 VanDerWaalsContact O-CZ3 3.22Å; N121-W123 WeakPolarHBondContact O-CZ3 3.49Å
122S93.1Very high91Very high12 Ų1274.1 Ų74.18%0.08439%0.391CS..EExtended strand (participates in β ladder)trans-120.3149.7174.8-520000111.2C102 S103 M116C102-S122 CarbonylContact C-O 3.59Å; C102-S122 WeakPolarHBondContact CA-O 3.26Å; S103-S122 PolarHBondContact N-O 3.11Å; S103-S122 PolarHBondContact OG-N 3.46Å; S103-S122 PolarHBondContact OG-O 3.22Å; M116-S122 CarbonylContact O-C 3.59Å; M116-S122 VanDerWaalsContact O-CA 3.26Å; M116-S122 WeakPolarHBondContact O-CA 3.45Å
123W94.1Very high91.9Very high12 Ų1272.2 Ų72.25%0.04536%0.363CS..EExtended strand (participates in β ladder)trans-140.7152.6175.9-61.3-99.3000111.4T104 I109 K115 M116 N121 C127 F128 Y149T104-W123 PolarHBondContact OG1-NE1 3.41Å; I109-W123 VanDerWaalsContact CD1-C 3.5Å; K115-W123 WeakPolarHBondContact CA-O 3.49Å; M116-W123 HydrophobicContact CB-CB 4.34Å; M116-W123 PolarHBondContact N-O 3.42Å; M116-W123 PolarHBondContact O-N 3.38Å; N121-W123 HydrophobicContact CB-CE3 4.29Å; N121-W123 HydrophobicContact CB-CH2 3.16Å; N121-W123 HydrophobicContact CB-CZ2 3.62Å; N121-W123 HydrophobicContact CB-CZ3 3.52Å; N121-W123 VanDerWaalsContact O-CZ3 3.22Å; N121-W123 WeakPolarHBondContact O-CZ3 3.49Å; W123-C127 HydrophobicContact CB-CB 4.46Å; W123-F128 HydrophobicContact CB-CB 4.01Å; W123-F128 AromaticContact CD2-CD2 3.76Å; W123-F128 HydrophobicContact CD2-CD2 3.76Å; W123-F128 HydrophobicContact CD2-CE2 4.34Å; W123-F128 AromaticContact CE3-CD2 3.93Å; W123-F128 HydrophobicContact CE3-CD2 3.93Å; W123-F128 HydrophobicContact CE3-CE2 4.22Å; W123-F128 HydrophobicContact CG-CB 4.34Å; W123-F128 HydrophobicContact CG-CD2 4.05Å; W123-F128 HydrophobicContact CH2-CE2 4.3Å; W123-F128 HydrophobicContact CZ2-CE2 4.46Å; W123-F128 HydrophobicContact CZ3-CD2 4.37Å; W123-F128 HydrophobicContact CZ3-CE2 4.2Å; W123-Y149 HydrophobicContact CH2-CE2 4.1Å; W123-Y149 AromaticContact CH2-CZ 3.9Å; W123-Y149 WeakPolarHBondContact CH2-OH 3.32Å; W123-Y149 AromaticContact CZ2-CE2 3.71Å; W123-Y149 HydrophobicContact CZ2-CE2 3.71Å; W123-Y149 AromaticContact CZ2-CZ 3.95Å
124H92.8Very high92.4Very high41 Ų4174.8 Ų74.819%0.1937%0.369CS..EExtended strand (participates in β ladder)trans-61.2149.5158.5-54104.3000109.5C102 C105 T108 T126 C127 F128C102-H124 VanDerWaalsContact CB-CE1 3.42Å; C102-H124 WeakPolarHBondContact CB-CE1 3.44Å; C102-H124 VanDerWaalsContact CB-ND1 3.31Å; C102-H124 WeakPolarHBondContact CB-ND1 2.97Å; C102-H124 PolarHBondContact SG-ND1 2.63Å; C102-H124 VanDerWaalsContact SG-ND1 3.41Å; C105-H124 PolarHBondContact SG-CE1 3.46Å; C105-H124 PolarHBondContact SG-ND1 2.95Å; C105-H124 VanDerWaalsContact SG-ND1 3.38Å; T108-H124 PolarHBondContact O-NE2 2.92Å; T108-H124 VanDerWaalsContact O-NE2 3.11Å; H124-T126 PolarHBondContact O-N 3.2Å; H124-T126 VanDerWaalsContact O-N 3.17Å; H124-C127 HydrophobicContact CB-CB 3.98Å; H124-C127 PolarHBondContact O-N 2.89Å; H124-F128 PolarHBondContact O-N 3.17Å
125E91.1Very high92.9Very high69 Ų6971.3 Ų71.332%0.32236%0.361SS..G310 helixtrans-52.5-38.9175.5-74.3-171.1163.400112.3R114 M116 C127R114-E125 HydrophobicContact CB-CG 4.1Å; R114-E125 WeakPolarHBondContact CB-OE1 2.96Å; R114-E125 WeakPolarHBondContact CD-OE1 3.05Å; M116-E125 HydrophobicContact SD-CG 4.46Å; E125-C127 VanDerWaalsContact C-N 3.32Å; E125-C127 PolarHBondContact O-N 3.02Å
126T92.4Very high93.1Very high102 Ų10269.8 Ų69.863%0.62636%0.361SS*.G310 helixtrans-78-12.9178.456.40000114.2H124 L129H124-T126 PolarHBondContact O-N 3.2Å; H124-T126 VanDerWaalsContact O-N 3.17Å; T126-L129 WeakPolarHBondContact O-CD2 3.09Å
127C94.1Very high93.2Very high21 Ų2168.7 Ų68.714%0.14236%0.355CS..G310 helixtrans-100.7-10.9-178.6-71.80000113.1C102 T104 W123 H124 E125 L129C102-C127 WeakPolarHBondContact SG-CB 3.4Å; T104-C127 PolarHBondContact OG1-O 2.84Å; T104-C127 VanDerWaalsContact OG1-O 3.12Å; W123-C127 HydrophobicContact CB-CB 4.46Å; H124-C127 HydrophobicContact CB-CB 3.98Å; H124-C127 PolarHBondContact O-N 2.89Å; E125-C127 VanDerWaalsContact C-N 3.32Å; E125-C127 PolarHBondContact O-N 3.02Å; C127-L129 PolarHBondContact O-N 3.32Å
128F95.2Very high93Very high3 Ų363.7 Ų63.71%0.01334%0.336CS..SBendtrans-87.178.9174-166.4-119.9000110M116 W123 H124 I137 F142 Y149M116-F128 HydrophobicContact CB-CB 4.06Å; M116-F128 HydrophobicContact CB-CD1 4.27Å; M116-F128 HydrophobicContact CB-CG 4.11Å; M116-F128 HydrophobicContact CE-CD1 4.31Å; M116-F128 HydrophobicContact CG-CB 3.87Å; M116-F128 HydrophobicContact CG-CD1 4.18Å; M116-F128 HydrophobicContact CG-CG 4.22Å; W123-F128 HydrophobicContact CB-CB 4.01Å; W123-F128 AromaticContact CD2-CD2 3.76Å; W123-F128 HydrophobicContact CD2-CD2 3.76Å; W123-F128 HydrophobicContact CD2-CE2 4.34Å; W123-F128 AromaticContact CE3-CD2 3.93Å; W123-F128 HydrophobicContact CE3-CD2 3.93Å; W123-F128 HydrophobicContact CE3-CE2 4.22Å; W123-F128 HydrophobicContact CG-CB 4.34Å; W123-F128 HydrophobicContact CG-CD2 4.05Å; W123-F128 HydrophobicContact CH2-CE2 4.3Å; W123-F128 HydrophobicContact CZ2-CE2 4.46Å; W123-F128 HydrophobicContact CZ3-CD2 4.37Å; W123-F128 HydrophobicContact CZ3-CE2 4.2Å; H124-F128 PolarHBondContact O-N 3.17Å; F128-I137 HydrophobicContact CD1-CB 4.04Å; F128-I137 HydrophobicContact CD1-CD1 4.32Å; F128-I137 HydrophobicContact CE1-CB 4.28Å; F128-I137 HydrophobicContact CE1-CD1 4.08Å; F128-I137 PolarHBondContact O-N 3.03Å; F128-F142 AromaticContact CE1-CD1 3.8Å; F128-F142 HydrophobicContact CE1-CD1 3.8Å; F128-F142 HydrophobicContact CE1-CD2 4.47Å; F128-F142 HydrophobicContact CE1-CE1 4.01Å; F128-F142 HydrophobicContact CE1-CG 4.05Å; F128-F142 HydrophobicContact CE1-CZ 4.43Å; F128-F142 HydrophobicContact CZ-CD1 4.06Å; F128-F142 HydrophobicContact CZ-CD2 4.02Å; F128-F142 HydrophobicContact CZ-CE1 4.01Å; F128-F142 AromaticContact CZ-CE2 3.97Å; F128-F142 HydrophobicContact CZ-CE2 3.97Å; F128-F142 HydrophobicContact CZ-CG 4.06Å; F128-F142 AromaticContact CZ-CZ 3.96Å; F128-F142 HydrophobicContact CZ-CZ 3.96Å; F128-Y149 HydrophobicContact CD2-CD2 4.26Å; F128-Y149 HydrophobicContact CE2-CD1 4.01Å; F128-Y149 AromaticContact CE2-CD2 3.53Å; F128-Y149 HydrophobicContact CE2-CD2 3.53Å; F128-Y149 HydrophobicContact CE2-CE1 4.28Å; F128-Y149 AromaticContact CE2-CE2 3.83Å; F128-Y149 HydrophobicContact CE2-CE2 3.83Å; F128-Y149 AromaticContact CE2-CG 3.62Å; F128-Y149 HydrophobicContact CE2-CG 3.62Å; F128-Y149 AromaticContact CZ-CD1 3.99Å; F128-Y149 HydrophobicContact CZ-CD1 3.99Å; F128-Y149 HydrophobicContact CZ-CD2 4.22Å; F128-Y149 AromaticContact CZ-CG 3.83Å; F128-Y149 HydrophobicContact CZ-CG 3.83Å
129L95.2Very high92.7Very high52 Ų5266.5 Ų66.527%0.27236%0.36SS..BIsolated β-bridgetrans-96.7146.8-169.5-58.4-178.9000112.3T126 C127 H131 P136T126-L129 WeakPolarHBondContact O-CD2 3.09Å; C127-L129 PolarHBondContact O-N 3.32Å; L129-H131 PolarHBondContact O-N 3.39Å; L129-P136 HydrophobicContact CD2-CB 4.18Å; L129-P136 HydrophobicContact CD2-CG 3.78Å
130C95.2Very high92.6Very high0 Ų065.7 Ų65.70%036%0.356CS..  trans-67124.5166.4175.90000109.8R132 C133 Q134 Q135 I137 Y149 C151C130-R132 PolarHBondContact O-N 2.9Å; C130-R132 VanDerWaalsContact O-N 3.08Å; C130-C133 WeakPolarHBondContact CB-SG 3.11Å; C130-Q134 WeakPolarHBondContact O-CA 3.41Å; C130-Q134 PolarHBondContact O-N 2.98Å; C130-Q135 PolarHBondContact N-O 3.2Å; C130-I137 HydrophobicContact CB-CD1 4.27Å; C130-I137 HydrophobicContact CB-CG1 4Å; C130-Y149 CarbonylContact C-O 3.59Å; C130-Y149 VanDerWaalsContact CA-O 3.32Å; C130-Y149 WeakPolarHBondContact CA-O 3.19Å; C130-C151 HydrophobicContact CB-CB 4.23Å; C130-C151 PolarHBondContact SG-N 3.32Å; C130-C151 VanDerWaalsContact SG-SG 3.65Å
131H94.1Very high92.8Very high117 Ų11766.1 Ų66.154%0.54235%0.346SS..THydrogen-bonded Turntrans-57.1-28.2179.9-171.885000112.9L129 Q134 Y149 F150L129-H131 PolarHBondContact O-N 3.39Å; H131-Q134 PolarHBondContact O-NE2 2.88Å; H131-Y149 PolarHBondContact N-O 3.19Å; H131-F150 HydrophobicContact CB-CD1 4.45Å; H131-F150 HydrophobicContact CB-CE1 4.04Å; H131-F150 HydrophobicContact CB-CE2 4.33Å; H131-F150 HydrophobicContact CB-CZ 3.97Å; H131-F150 AromaticContact CD2-CZ 3.88Å
132R92.9Very high92.8Very high162 Ų16265.4 Ų65.461%0.61134%0.339SS*.THydrogen-bonded Turntrans-86.2-57.1-179.7-178.459174.4163.1-0.2113.7C130 F150 C154C130-R132 PolarHBondContact O-N 2.9Å; C130-R132 VanDerWaalsContact O-N 3.08Å; R132-F150 HydrophobicContact CB-CD1 4Å; R132-F150 HydrophobicContact CB-CE1 4.06Å; R132-C154 HydrophobicContact CB-CB 3.84Å; R132-C154 HydrophobicContact CG-CB 4.05Å
133C94.8Very high92.7Very high50 Ų5067.1 Ų67.134%0.33835%0.347SS..THydrogen-bonded Turntrans-94.2-5.4-17465.90000114C130 Q135C130-C133 WeakPolarHBondContact CB-SG 3.11Å; C133-Q135 HydrophobicContact CB-CG 4.39Å; C133-Q135 PolarHBondContact O-N 3.49Å
134Q94.9Very high92.5Very high107 Ų10769.5 Ų69.550%0.536%0.364SS..  trans57.416.5-178.4-58.9-63.3-44.100114.2C130 H131C130-Q134 WeakPolarHBondContact O-CA 3.41Å; C130-Q134 PolarHBondContact O-N 2.98Å; H131-Q134 PolarHBondContact O-NE2 2.88Å
135Q95.4Very high92.3Very high123 Ų12370.6 Ų70.658%0.57537%0.369SS*.  trans-88.4145.6175.4-64.5-58.8-4800110.9C130 C133 I137C130-Q135 PolarHBondContact N-O 3.2Å; C133-Q135 HydrophobicContact CB-CG 4.39Å; C133-Q135 PolarHBondContact O-N 3.49Å; Q135-I137 PolarHBondContact O-N 3.32Å
136P95Very high91.9Very high59 Ų5973.7 Ų73.738%0.38339%0.387SS..BIsolated β-bridgetrans-56.7126.4172.5-23.833.7000111L129L129-P136 HydrophobicContact CD2-CB 4.18Å; L129-P136 HydrophobicContact CD2-CG 3.78Å
137I94.4Very high91.4Very high5 Ų577 Ų773%0.02640%0.401CS..  trans-76.3-37.3174.5-56.3168.1000109.5F128 C130 Q135 K140 F142 C151F128-I137 HydrophobicContact CD1-CB 4.04Å; F128-I137 HydrophobicContact CD1-CD1 4.32Å; F128-I137 HydrophobicContact CE1-CB 4.28Å; F128-I137 HydrophobicContact CE1-CD1 4.08Å; F128-I137 PolarHBondContact O-N 3.03Å; C130-I137 HydrophobicContact CB-CD1 4.27Å; C130-I137 HydrophobicContact CB-CG1 4Å; Q135-I137 PolarHBondContact O-N 3.32Å; I137-K140 HydrophobicContact CG2-CB 4.08Å; I137-K140 WeakPolarHBondContact CG2-O 3.32Å; I137-K140 VanDerWaalsContact O-CB 3.3Å; I137-K140 WeakPolarHBondContact O-CB 3.39Å; I137-K140 WeakPolarHBondContact O-CG 3.3Å; I137-K140 PolarHBondContact O-N 3.25Å; I137-F142 HydrophobicContact CD1-CB 4Å; I137-F142 HydrophobicContact CG2-CB 4.04Å; I137-C151 HydrophobicContact CG1-CB 4.39Å
138G87.9Confident91.2Very high14 Ų1476.4 Ų76.414%0.14440%0.399CS..THydrogen-bonded Turntrans57.9-137-177.100000111.1M116 K140M116-G138 WeakPolarHBondContact CE-O 3.31Å; G138-K140 PolarHBondContact O-N 2.78Å
139T85.6Confident91.1Very high124 Ų12478.6 Ų78.676%0.76141%0.407SS*.THydrogen-bonded Turntrans-78.30.7179.656.10000114.4
140K88.5Confident91Very high151 Ų15176.6 Ų76.666%0.65740%0.396SS*.SBendtrans-71.6154.1179.3-59.9173.6-176.4171.70110.4I137 G138I137-K140 HydrophobicContact CG2-CB 4.08Å; I137-K140 WeakPolarHBondContact CG2-O 3.32Å; I137-K140 VanDerWaalsContact O-CB 3.3Å; I137-K140 WeakPolarHBondContact O-CB 3.39Å; I137-K140 WeakPolarHBondContact O-CG 3.3Å; I137-K140 PolarHBondContact O-N 3.25Å; G138-K140 PolarHBondContact O-N 2.78Å
141S90Very high90.9Very high94 Ų9477.5 Ų77.566%0.65740%0.402SS*.  trans-56.8142.9172.2-54.60000111.4
142F92.3Very high90.7Very high55 Ų5574.3 Ų74.324%0.24139%0.391CS..EExtended strand (participates in β ladder)trans-137160.3177.968.7-87.4000111Y118 F128 I137 Y149 F150Y118-F142 HydrophobicContact CD1-CE2 4.16Å; Y118-F142 HydrophobicContact CD1-CZ 4.23Å; Y118-F142 HydrophobicContact CD2-CE2 4.11Å; Y118-F142 AromaticContact CD2-CZ 3.52Å; Y118-F142 HydrophobicContact CD2-CZ 3.52Å; Y118-F142 HydrophobicContact CE1-CE2 4.21Å; Y118-F142 HydrophobicContact CE2-CE2 4.15Å; Y118-F142 AromaticContact CE2-CZ 3.89Å; Y118-F142 HydrophobicContact CE2-CZ 3.89Å; Y118-F142 HydrophobicContact CG-CE2 4.1Å; Y118-F142 AromaticContact CG-CZ 3.7Å; Y118-F142 HydrophobicContact CG-CZ 3.7Å; F128-F142 AromaticContact CE1-CD1 3.8Å; F128-F142 HydrophobicContact CE1-CD1 3.8Å; F128-F142 HydrophobicContact CE1-CD2 4.47Å; F128-F142 HydrophobicContact CE1-CE1 4.01Å; F128-F142 HydrophobicContact CE1-CG 4.05Å; F128-F142 HydrophobicContact CE1-CZ 4.43Å; F128-F142 HydrophobicContact CZ-CD1 4.06Å; F128-F142 HydrophobicContact CZ-CD2 4.02Å; F128-F142 HydrophobicContact CZ-CE1 4.01Å; F128-F142 AromaticContact CZ-CE2 3.97Å; F128-F142 HydrophobicContact CZ-CE2 3.97Å; F128-F142 HydrophobicContact CZ-CG 4.06Å; F128-F142 AromaticContact CZ-CZ 3.96Å; F128-F142 HydrophobicContact CZ-CZ 3.96Å; I137-F142 HydrophobicContact CD1-CB 4Å; I137-F142 HydrophobicContact CG2-CB 4.04Å; F142-Y149 AromaticContact CD2-CD1 3.89Å; F142-Y149 HydrophobicContact CD2-CD1 3.89Å; F142-Y149 AromaticContact CE2-CD1 3.81Å; F142-Y149 HydrophobicContact CE2-CD1 3.81Å; F142-Y149 HydrophobicContact CE2-CE1 4.25Å; F142-F150 CarbonylContact C-O 3.53Å; F142-F150 WeakPolarHBondContact CA-O 3.45Å
143I90.8Very high90.5Very high49 Ų4969.5 Ų69.525%0.25138%0.382SS..EExtended strand (participates in β ladder)trans-121.5114.5178.3-58.8169.9000107.8F150 V152 F155I143-F150 PolarHBondContact N-O 3.08Å; I143-F150 PolarHBondContact O-N 2.86Å; I143-V152 HydrophobicContact CD1-CG2 4.49Å; I143-F155 HydrophobicContact CB-CB 4.44Å; I143-F155 HydrophobicContact CB-CD2 3.83Å; I143-F155 HydrophobicContact CB-CE2 4.18Å; I143-F155 HydrophobicContact CB-CG 4.02Å; I143-F155 HydrophobicContact CD1-CB 3.83Å; I143-F155 HydrophobicContact CD1-CD1 3.41Å; I143-F155 VanDerWaalsContact CD1-CD1 3.41Å; I143-F155 HydrophobicContact CD1-CD2 4.23Å; I143-F155 HydrophobicContact CD1-CE1 3.99Å; I143-F155 HydrophobicContact CD1-CG 3.55Å; I143-F155 HydrophobicContact CG1-CG 4.36Å; I143-F155 HydrophobicContact CG2-CD1 4.35Å; I143-F155 HydrophobicContact CG2-CD2 3.63Å; I143-F155 HydrophobicContact CG2-CE1 4.21Å; I143-F155 HydrophobicContact CG2-CE2 3.42Å; I143-F155 VanDerWaalsContact CG2-CE2 3.42Å; I143-F155 HydrophobicContact CG2-CG 4.09Å; I143-F155 HydrophobicContact CG2-CZ 3.75Å
144P90.7Very high90.4Very high61 Ų6168 Ų6840%0.39637%0.372SS..EExtended strand (participates in β ladder)trans-74.3126.4171.430.6-31.9000108.8Y118 Y149Y118-P144 HydrophobicContact CE1-CB 4.25Å; Y118-P144 HydrophobicContact CE1-CG 4.47Å; Y118-P144 WeakPolarHBondContact OH-CG 3.22Å; P144-Y149 HydrophobicContact CB-CD1 4.24Å; P144-Y149 HydrophobicContact CB-CE1 4.34Å
145K86.8Confident90.1Very high65 Ų6564.9 Ų64.928%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-146.6134.4174.2-179.6170.9177.5-65.80109.6N147 G148 F150 F155 F159K145-N147 PolarHBondContact O-N 2.95Å; K145-G148 PolarHBondContact N-O 2.81Å; K145-G148 PolarHBondContact O-N 3.06Å; K145-G148 VanDerWaalsContact O-O 3.07Å; K145-F150 HydrophobicContact CB-CD2 4.25Å; K145-F150 HydrophobicContact CB-CE2 4.22Å; K145-F155 HydrophobicContact CB-CE2 3.87Å; K145-F155 HydrophobicContact CD-CD2 4.46Å; K145-F155 HydrophobicContact CD-CE2 3.46Å; K145-F155 VanDerWaalsContact CD-CE2 3.46Å; K145-F155 HydrophobicContact CD-CZ 4.02Å; K145-F155 HydrophobicContact CG-CE2 4.26Å; K145-F159 HydrophobicContact CD-CD2 4.38Å; K145-F159 HydrophobicContact CD-CG 4.35Å
146D83.9Confident89.6Confident133 Ų13362.2 Ų62.271%0.71134%0.344SS*.THydrogen-bonded Turntrans54.7-124.6-171.7-49.7-46.7000109.5
147N82.2Confident89Confident173 Ų17368.2 Ų68.293%0.92536%0.364SS*.THydrogen-bonded Turntrans-103.717.1174.2-84.7-1.3000113.7K145K145-N147 PolarHBondContact O-N 2.95Å
148G89.1Confident88.4Confident8 Ų872.6 Ų72.68%0.08239%0.385CS..EExtended strand (participates in β ladder)trans-120.9158.7-177.500000113.5K145K145-G148 PolarHBondContact N-O 2.81Å; K145-G148 PolarHBondContact O-N 3.06Å; K145-G148 VanDerWaalsContact O-O 3.07Å
149Y93.1Very high87.9Confident48 Ų4874.7 Ų74.719%0.18839%0.39CS..EExtended strand (participates in β ladder)trans-107.5130.5169.1-53.9-72.8000108.6Y118 W123 F128 C130 H131 F142 P144Y118-Y149 AromaticContact CD1-CE1 3.6Å; Y118-Y149 HydrophobicContact CD1-CE1 3.6Å; Y118-Y149 AromaticContact CE1-CE1 3.84Å; Y118-Y149 HydrophobicContact CE1-CE1 3.84Å; W123-Y149 HydrophobicContact CH2-CE2 4.1Å; W123-Y149 AromaticContact CH2-CZ 3.9Å; W123-Y149 WeakPolarHBondContact CH2-OH 3.32Å; W123-Y149 AromaticContact CZ2-CE2 3.71Å; W123-Y149 HydrophobicContact CZ2-CE2 3.71Å; W123-Y149 AromaticContact CZ2-CZ 3.95Å; F128-Y149 HydrophobicContact CD2-CD2 4.26Å; F128-Y149 HydrophobicContact CE2-CD1 4.01Å; F128-Y149 AromaticContact CE2-CD2 3.53Å; F128-Y149 HydrophobicContact CE2-CD2 3.53Å; F128-Y149 HydrophobicContact CE2-CE1 4.28Å; F128-Y149 AromaticContact CE2-CE2 3.83Å; F128-Y149 HydrophobicContact CE2-CE2 3.83Å; F128-Y149 AromaticContact CE2-CG 3.62Å; F128-Y149 HydrophobicContact CE2-CG 3.62Å; F128-Y149 AromaticContact CZ-CD1 3.99Å; F128-Y149 HydrophobicContact CZ-CD1 3.99Å; F128-Y149 HydrophobicContact CZ-CD2 4.22Å; F128-Y149 AromaticContact CZ-CG 3.83Å; F128-Y149 HydrophobicContact CZ-CG 3.83Å; C130-Y149 CarbonylContact C-O 3.59Å; C130-Y149 VanDerWaalsContact CA-O 3.32Å; C130-Y149 WeakPolarHBondContact CA-O 3.19Å; H131-Y149 PolarHBondContact N-O 3.19Å; F142-Y149 AromaticContact CD2-CD1 3.89Å; F142-Y149 HydrophobicContact CD2-CD1 3.89Å; F142-Y149 AromaticContact CE2-CD1 3.81Å; F142-Y149 HydrophobicContact CE2-CD1 3.81Å; F142-Y149 HydrophobicContact CE2-CE1 4.25Å; P144-Y149 HydrophobicContact CB-CD1 4.24Å; P144-Y149 HydrophobicContact CB-CE1 4.34Å
150F93.1Very high87.5Confident10 Ų1069.8 Ų69.84%0.04436%0.362CS..EExtended strand (participates in β ladder)trans-116137.4179.4-64.5-96.7000109.7H131 R132 F142 I143 K145 F155 F159H131-F150 HydrophobicContact CB-CD1 4.45Å; H131-F150 HydrophobicContact CB-CE1 4.04Å; H131-F150 HydrophobicContact CB-CE2 4.33Å; H131-F150 HydrophobicContact CB-CZ 3.97Å; H131-F150 AromaticContact CD2-CZ 3.88Å; R132-F150 HydrophobicContact CB-CD1 4Å; R132-F150 HydrophobicContact CB-CE1 4.06Å; F142-F150 CarbonylContact C-O 3.53Å; F142-F150 WeakPolarHBondContact CA-O 3.45Å; I143-F150 PolarHBondContact N-O 3.08Å; I143-F150 PolarHBondContact O-N 2.86Å; K145-F150 HydrophobicContact CB-CD2 4.25Å; K145-F150 HydrophobicContact CB-CE2 4.22Å; F150-F155 HydrophobicContact CB-CB 3.93Å; F150-F155 HydrophobicContact CB-CD2 4.09Å; F150-F155 HydrophobicContact CD2-CD2 4.47Å; F150-F155 HydrophobicContact CG-CD2 4.34Å; F150-F159 AromaticContact CD1-CE2 4Å; F150-F159 HydrophobicContact CD1-CE2 4Å; F150-F159 AromaticContact CE1-CE2 3.71Å; F150-F159 HydrophobicContact CE1-CE2 3.71Å; F150-F159 HydrophobicContact CE1-CZ 4.16Å; F150-F159 HydrophobicContact CE2-CE2 4.38Å; F150-F159 HydrophobicContact CG-CE2 4.45Å; F150-F159 AromaticContact CZ-CE2 3.93Å; F150-F159 HydrophobicContact CZ-CE2 3.93Å; F150-F159 HydrophobicContact CZ-CZ 4.14Å
151C93.6Very high87.2Confident19 Ų1971 Ų7113%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-66.5149.5163.169.70000109.1C130 I137 S153 C154 F155C130-C151 HydrophobicContact CB-CB 4.23Å; C130-C151 PolarHBondContact SG-N 3.32Å; C130-C151 VanDerWaalsContact SG-SG 3.65Å; I137-C151 HydrophobicContact CG1-CB 4.39Å; C151-S153 PolarHBondContact O-N 2.93Å; C151-S153 PolarHBondContact SG-OG 2.84Å; C151-S153 VanDerWaalsContact SG-OG 3.4Å; C151-C154 PolarHBondContact O-N 3.29Å; C151-C154 VanDerWaalsContact SG-CB 3.55Å; C151-C154 PolarHBondContact SG-SG 2.85Å; C151-F155 PolarHBondContact O-N 3.43Å
152V89.3Confident87.2Confident50 Ų5073 Ų7330%0.30336%0.362SS..Hα-helixtrans-51.3-45.1-175.9174.50000111.8I143 C154 F155 E156I143-V152 HydrophobicContact CD1-CG2 4.49Å; V152-C154 PolarHBondContact O-N 2.87Å; V152-F155 PolarHBondContact O-N 3.43Å; V152-E156 HydrophobicContact CG1-CG 4.27Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.25Å; V152-E156 WeakPolarHBondContact O-CB 3.33Å; V152-E156 VanDerWaalsContact O-CG 3.27Å; V152-E156 WeakPolarHBondContact O-CG 3.34Å; V152-E156 PolarHBondContact O-N 3.46Å
153S89.8Confident87.2Confident62 Ų6270.4 Ų70.443%0.43435%0.351SS..Hα-helixtrans-65.6-36.8-179630000114.1C151 K157C151-S153 PolarHBondContact O-N 2.93Å; C151-S153 PolarHBondContact SG-OG 2.84Å; C151-S153 VanDerWaalsContact SG-OG 3.4Å; S153-K157 WeakPolarHBondContact O-CB 3.41Å; S153-K157 VanDerWaalsContact O-CG 3.25Å; S153-K157 WeakPolarHBondContact O-CG 3.47Å; S153-K157 PolarHBondContact O-N 3.02Å
154C91.4Very high87.2Confident17 Ų1769.9 Ų69.912%0.11535%0.352CS..Hα-helixtrans-73.3-39175.7-74.80000111.3R132 C151 V152 K157 Q158R132-C154 HydrophobicContact CB-CB 3.84Å; R132-C154 HydrophobicContact CG-CB 4.05Å; C151-C154 PolarHBondContact O-N 3.29Å; C151-C154 VanDerWaalsContact SG-CB 3.55Å; C151-C154 PolarHBondContact SG-SG 2.85Å; V152-C154 PolarHBondContact O-N 2.87Å; C154-K157 PolarHBondContact O-N 3.37Å; C154-Q158 WeakPolarHBondContact O-CB 3.49Å; C154-Q158 PolarHBondContact O-N 3.42Å
155F88.9Confident87.2Confident42 Ų4269.5 Ų69.518%0.18435%0.354CS..Hα-helixtrans-62-47.1176.4-171.7-87.5000111.2I143 K145 F150 C151 V152 K157 Q158 F159I143-F155 HydrophobicContact CB-CB 4.44Å; I143-F155 HydrophobicContact CB-CD2 3.83Å; I143-F155 HydrophobicContact CB-CE2 4.18Å; I143-F155 HydrophobicContact CB-CG 4.02Å; I143-F155 HydrophobicContact CD1-CB 3.83Å; I143-F155 HydrophobicContact CD1-CD1 3.41Å; I143-F155 VanDerWaalsContact CD1-CD1 3.41Å; I143-F155 HydrophobicContact CD1-CD2 4.23Å; I143-F155 HydrophobicContact CD1-CE1 3.99Å; I143-F155 HydrophobicContact CD1-CG 3.55Å; I143-F155 HydrophobicContact CG1-CG 4.36Å; I143-F155 HydrophobicContact CG2-CD1 4.35Å; I143-F155 HydrophobicContact CG2-CD2 3.63Å; I143-F155 HydrophobicContact CG2-CE1 4.21Å; I143-F155 HydrophobicContact CG2-CE2 3.42Å; I143-F155 VanDerWaalsContact CG2-CE2 3.42Å; I143-F155 HydrophobicContact CG2-CG 4.09Å; I143-F155 HydrophobicContact CG2-CZ 3.75Å; K145-F155 HydrophobicContact CB-CE2 3.87Å; K145-F155 HydrophobicContact CD-CD2 4.46Å; K145-F155 HydrophobicContact CD-CE2 3.46Å; K145-F155 VanDerWaalsContact CD-CE2 3.46Å; K145-F155 HydrophobicContact CD-CZ 4.02Å; K145-F155 HydrophobicContact CG-CE2 4.26Å; F150-F155 HydrophobicContact CB-CB 3.93Å; F150-F155 HydrophobicContact CB-CD2 4.09Å; F150-F155 HydrophobicContact CD2-CD2 4.47Å; F150-F155 HydrophobicContact CG-CD2 4.34Å; C151-F155 PolarHBondContact O-N 3.43Å; V152-F155 PolarHBondContact O-N 3.43Å; F155-K157 PolarHBondContact O-N 3.27Å; F155-Q158 PolarHBondContact O-N 3.2Å; F155-F159 HydrophobicContact CD1-CB 4.47Å; F155-F159 AromaticContact CD2-CD2 3.67Å; F155-F159 HydrophobicContact CD2-CD2 3.67Å; F155-F159 HydrophobicContact CD2-CE2 4.35Å; F155-F159 HydrophobicContact CE1-CB 4.19Å; F155-F159 HydrophobicContact CE2-CB 4.31Å; F155-F159 AromaticContact CE2-CD2 3.92Å; F155-F159 HydrophobicContact CE2-CD2 3.92Å; F155-F159 HydrophobicContact CE2-CG 4.4Å; F155-F159 HydrophobicContact CG-CD2 4.12Å; F155-F159 HydrophobicContact CZ-CB 4.11Å; F155-F159 PolarHBondContact O-N 3.4Å
156E84.8Confident87.5Confident67 Ų6768.8 Ų68.831%0.31336%0.356SS..Hα-helixtrans-56.4-47.2176.5-81.3171.6-176.100112.7V152 Q158 A160 A169 T171V152-E156 HydrophobicContact CG1-CG 4.27Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.25Å; V152-E156 WeakPolarHBondContact O-CB 3.33Å; V152-E156 VanDerWaalsContact O-CG 3.27Å; V152-E156 WeakPolarHBondContact O-CG 3.34Å; V152-E156 PolarHBondContact O-N 3.46Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.39Å; E156-A160 WeakPolarHBondContact O-CB 3.34Å; E156-A160 PolarHBondContact O-N 3.22Å; E156-A169 HydrophobicContact CB-CB 4.41Å; E156-A169 HydrophobicContact CG-CB 4.37Å; E156-T171 HydrophobicContact CG-CG2 3.53Å; E156-T171 WeakPolarHBondContact OE1-CG2 3.05Å
157K83.2Confident87.8Confident186 Ų18668.9 Ų68.981%0.80935%0.35SS*.Hα-helixtrans-66-29.6-179-75.5175.9-179.1-174.90113.5S153 C154 F155S153-K157 WeakPolarHBondContact O-CB 3.41Å; S153-K157 VanDerWaalsContact O-CG 3.25Å; S153-K157 WeakPolarHBondContact O-CG 3.47Å; S153-K157 PolarHBondContact O-N 3.02Å; C154-K157 PolarHBondContact O-N 3.37Å; F155-K157 PolarHBondContact O-N 3.27Å
158Q80.6Confident88.1Confident96 Ų9667.8 Ų67.845%0.44934%0.337SS..Hα-helixtrans-103.4-31.5-170.7-167.8174.5-5.300113.3C154 F155 E156C154-Q158 WeakPolarHBondContact O-CB 3.49Å; C154-Q158 PolarHBondContact O-N 3.42Å; F155-Q158 PolarHBondContact O-N 3.2Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.39Å
159F78.4Confident87.9Confident59 Ų5968.8 Ų68.826%0.25935%0.345SS..Hα-helixtrans-130.4-12.8-166.9-52.8-67000114.7K145 F150 F155 Y161K145-F159 HydrophobicContact CD-CD2 4.38Å; K145-F159 HydrophobicContact CD-CG 4.35Å; F150-F159 AromaticContact CD1-CE2 4Å; F150-F159 HydrophobicContact CD1-CE2 4Å; F150-F159 AromaticContact CE1-CE2 3.71Å; F150-F159 HydrophobicContact CE1-CE2 3.71Å; F150-F159 HydrophobicContact CE1-CZ 4.16Å; F150-F159 HydrophobicContact CE2-CE2 4.38Å; F150-F159 HydrophobicContact CG-CE2 4.45Å; F150-F159 AromaticContact CZ-CE2 3.93Å; F150-F159 HydrophobicContact CZ-CE2 3.93Å; F150-F159 HydrophobicContact CZ-CZ 4.14Å; F155-F159 HydrophobicContact CD1-CB 4.47Å; F155-F159 AromaticContact CD2-CD2 3.67Å; F155-F159 HydrophobicContact CD2-CD2 3.67Å; F155-F159 HydrophobicContact CD2-CE2 4.35Å; F155-F159 HydrophobicContact CE1-CB 4.19Å; F155-F159 HydrophobicContact CE2-CB 4.31Å; F155-F159 AromaticContact CE2-CD2 3.92Å; F155-F159 HydrophobicContact CE2-CD2 3.92Å; F155-F159 HydrophobicContact CE2-CG 4.4Å; F155-F159 HydrophobicContact CG-CD2 4.12Å; F155-F159 HydrophobicContact CZ-CB 4.11Å; F155-F159 PolarHBondContact O-N 3.4Å; F159-Y161 PolarHBondContact O-N 2.92Å
160A77.7Confident87.6Confident20 Ų2067.8 Ų67.817%0.16534%0.342CS..PPolyproline II helixtrans-75.9128.8-178.200000111.3E156 Q162 A169E156-A160 WeakPolarHBondContact O-CB 3.34Å; E156-A160 PolarHBondContact O-N 3.22Å; A160-Q162 PolarHBondContact O-N 3.36Å; A160-A169 HydrophobicContact CB-CB 3.52Å
161Y82.1Confident86.7Confident178 Ų17871.1 Ų71.170%0.69836%0.364SS*.PPolyproline II helixtrans-59.5134.2166.8-71.1-67.7000110.2F159 I170 P181F159-Y161 PolarHBondContact O-N 2.92Å; Y161-I170 PolarHBondContact O-N 3.17Å; Y161-P181 HydrophobicContact CD1-CG 4.32Å; Y161-P181 HydrophobicContact CG-CB 4.39Å; Y161-P181 HydrophobicContact CG-CG 4.29Å
162Q89.1Confident85.8Confident134 Ų13476.4 Ų76.463%0.62640%0.395SS*.BIsolated β-bridgetrans-89129.2177.9-67.8178.7-29.800110.3A160 C164 P181A160-Q162 PolarHBondContact O-N 3.36Å; Q162-C164 PolarHBondContact O-N 3.1Å; Q162-P181 WeakPolarHBondContact O-CG 3.45Å
163C91.8Very high85.3Confident1 Ų176 Ų761%0.00740%0.401CS..PPolyproline II helixtrans-59.6130.4176.5172.70000111.2A165 C166 K167 K168 I170 P181 H183C163-A165 PolarHBondContact O-N 3.28Å; C163-A165 PolarHBondContact SG-N 3.18Å; C163-A165 VanDerWaalsContact SG-N 3.39Å; C163-C166 VanDerWaalsContact CB-SG 3.6Å; C163-K167 VanDerWaalsContact O-CA 3.24Å; C163-K167 WeakPolarHBondContact O-CA 3.45Å; C163-K167 PolarHBondContact O-N 2.97Å; C163-K168 PolarHBondContact N-O 3.44Å; C163-I170 HydrophobicContact CB-CD1 3.88Å; C163-I170 HydrophobicContact CB-CG1 3.94Å; C163-P181 WeakPolarHBondContact CA-O 3.16Å; C163-H183 WeakPolarHBondContact CB-ND1 3.38Å; C163-H183 PolarHBondContact SG-N 3.47Å
164C91.1Very high85.2Confident39 Ų3974.7 Ų74.726%0.26440%0.398SS..THydrogen-bonded Turntrans-59.9-33.1-179.3-169.60000112.9Q162 K167 K180 P181 W182Q162-C164 PolarHBondContact O-N 3.1Å; C164-K167 PolarHBondContact O-NZ 3.38Å; C164-K180 HydrophobicContact CB-CB 4.39Å; C164-P181 PolarHBondContact N-O 2.85Å; C164-W182 HydrophobicContact CB-CD2 3.91Å; C164-W182 HydrophobicContact CB-CE3 4.19Å; C164-W182 HydrophobicContact CB-CH2 3.87Å; C164-W182 HydrophobicContact CB-CZ2 3.56Å; C164-W182 HydrophobicContact CB-CZ3 4.19Å
165A91.5Very high85.2Confident53 Ų5375.3 Ų75.344%0.43840%0.401SS..THydrogen-bonded Turntrans-76.8-62.2178.100000112.9C163 W182 C186C163-A165 PolarHBondContact O-N 3.28Å; C163-A165 PolarHBondContact SG-N 3.18Å; C163-A165 VanDerWaalsContact SG-N 3.39Å; A165-W182 HydrophobicContact CB-CE3 3.78Å; A165-W182 HydrophobicContact CB-CZ3 3.67Å; A165-C186 HydrophobicContact CB-CB 3.85Å
166C92.7Very high85.4Confident50 Ų5078.4 Ų78.434%0.33842%0.423SS..THydrogen-bonded Turntrans-96.9-5.5-167.574.70000114.1C163 K168 H183C163-C166 VanDerWaalsContact CB-SG 3.6Å; C166-K168 PolarHBondContact O-N 2.9Å; C166-K168 PolarHBondContact SG-N 3Å; C166-H183 PolarHBondContact SG-CE1 2.99Å; C166-H183 PolarHBondContact SG-ND1 2.8Å
167K89.9Confident85.7Confident135 Ų13576.6 Ų76.659%0.58741%0.414SS*.  trans61.56.6-177.1-49.5-53.8-173.9-166.20115.7C163 C164C163-K167 VanDerWaalsContact O-CA 3.24Å; C163-K167 WeakPolarHBondContact O-CA 3.45Å; C163-K167 PolarHBondContact O-N 2.97Å; C164-K167 PolarHBondContact O-NZ 3.38Å
168K87.9Confident85.9Confident150 Ų15071.7 Ų71.765%0.65240%0.397SS*.  trans-84.9153.7175-59.9179.7-178.5178.60111.3C163 C166C163-K168 PolarHBondContact N-O 3.44Å; C166-K168 PolarHBondContact O-N 2.9Å; C166-K168 PolarHBondContact SG-N 3Å
169A86Confident86.3Confident29 Ų2974.7 Ų74.724%0.2442%0.416CS..BIsolated β-bridgetrans-57.6138.3174.200000112E156 A160 T171 H183E156-A169 HydrophobicContact CB-CB 4.41Å; E156-A169 HydrophobicContact CG-CB 4.37Å; A160-A169 HydrophobicContact CB-CB 3.52Å; A169-T171 HydrophobicContact CB-CG2 4.28Å; A169-H183 PolarHBondContact O-CE1 3.3Å; A169-H183 PolarHBondContact O-NE2 3.5Å
170I86.1Confident86.9Confident26 Ų2677.5 Ų77.513%0.13343%0.428CS..  trans-95.6104.9171.3-63.3159.9000107.4Y161 C163 G173 P181Y161-I170 PolarHBondContact O-N 3.17Å; C163-I170 HydrophobicContact CB-CD1 3.88Å; C163-I170 HydrophobicContact CB-CG1 3.94Å; I170-G173 WeakPolarHBondContact CG2-O 3.13Å; I170-P181 HydrophobicContact CD1-CB 3.67Å; I170-P181 HydrophobicContact CD1-CG 4.37Å
171T74.8Confident87.6Confident81 Ų8178.1 Ų78.150%0.49743%0.43SS..  trans-99.4-28.3-168.650.70000113.4E156 A169E156-T171 HydrophobicContact CG-CG2 3.53Å; E156-T171 WeakPolarHBondContact OE1-CG2 3.05Å; A169-T171 HydrophobicContact CB-CG2 4.28Å
172T74.9Confident88.1Confident129 Ų12971.8 Ų71.879%0.79141%0.405SS*.SBendtrans-154.8112.5-179.1-60.80000109.8
173G77.8Confident88.3Confident42 Ų4266.5 Ų66.543%0.43338%0.38SS..  trans67.5134.3-179.500000112.2I170I170-G173 WeakPolarHBondContact CG2-O 3.13Å
174G88.5Confident88.4Confident34 Ų3472.5 Ų72.535%0.35140%0.403SS..  trans-157-177.8176.200000109.1W182G174-W182 WeakPolarHBondContact CA-O 3.27Å
175V92.2Very high88.5Confident31 Ų3176.2 Ų76.219%0.18842%0.416CS..EExtended strand (participates in β ladder)trans-123.9142.7166.3-63.90000108.9W182 R184 F187V175-W182 HydrophobicContact CG2-CB 3.95Å; V175-W182 PolarHBondContact N-O 3.36Å; V175-W182 PolarHBondContact O-N 3.25Å; V175-R184 HydrophobicContact CG1-CG 4.21Å; V175-F187 HydrophobicContact CG2-CB 3.63Å; V175-F187 HydrophobicContact CG2-CD1 4.01Å; V175-F187 HydrophobicContact CG2-CD2 4.4Å; V175-F187 HydrophobicContact CG2-CG 3.76Å
176T91.8Very high88.7Confident107 Ų10775.1 Ų75.166%0.65641%0.405SS*.EExtended strand (participates in β ladder)trans-101.6125.6170.6-54.70000107.8K180T176-K180 WeakPolarHBondContact CA-O 3.46Å
177Y90.8Very high88.9Confident28 Ų2873 Ų7311%0.1139%0.39CS..EExtended strand (participates in β ladder)trans-136.6125.9176.1172.8-105.9000109.2D179 K180 F187 F201 S203Y177-D179 VanDerWaalsContact C-N 3.27Å; Y177-D179 PolarHBondContact O-N 3.28Å; Y177-K180 PolarHBondContact N-O 3.19Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 2.95Å; Y177-F187 AromaticContact CD1-CE2 3.57Å; Y177-F187 HydrophobicContact CD1-CE2 3.57Å; Y177-F187 HydrophobicContact CD1-CZ 4Å; Y177-F187 HydrophobicContact CD2-CE2 4.3Å; Y177-F187 AromaticContact CD2-CZ 3.92Å; Y177-F187 HydrophobicContact CD2-CZ 3.92Å; Y177-F187 HydrophobicContact CE1-CE2 4.33Å; Y177-F187 AromaticContact CG-CE2 3.55Å; Y177-F187 HydrophobicContact CG-CE2 3.55Å; Y177-F187 AromaticContact CG-CZ 3.62Å; Y177-F187 HydrophobicContact CG-CZ 3.62Å; Y177-F201 AromaticContact CD2-CE2 3.97Å; Y177-F201 HydrophobicContact CD2-CE2 3.97Å; Y177-F201 AromaticContact CD2-CZ 3.8Å; Y177-F201 HydrophobicContact CD2-CZ 3.8Å; Y177-F201 AromaticContact CE2-CE2 3.64Å; Y177-F201 HydrophobicContact CE2-CE2 3.64Å; Y177-F201 AromaticContact CE2-CZ 3.91Å; Y177-F201 HydrophobicContact CE2-CZ 3.91Å; Y177-S203 WeakPolarHBondContact OH-CB 3.4Å; Y177-S203 PolarHBondContact OH-OG 3.23Å
178N88.9Confident89.2Confident84 Ų8469.4 Ų69.445%0.44938%0.377SS..THydrogen-bonded Turntrans48.149.2-171-66.5-2.8000112.1K180N178-K180 PolarHBondContact O-N 2.95Å
179D88.1Confident89.5Confident159 Ų15962.3 Ų62.385%0.8535%0.346SS*.THydrogen-bonded Turntrans56.110.3-176.3-56.1-47.7000115.6Y177Y177-D179 VanDerWaalsContact C-N 3.27Å; Y177-D179 PolarHBondContact O-N 3.28Å
180K90.5Very high89.9Confident118 Ų11864 Ų6451%0.51335%0.35SS..EExtended strand (participates in β ladder)trans-102.9136.8177-68.2177.7-174.6179.70109.9C164 T176 Y177 N178 W182C164-K180 HydrophobicContact CB-CB 4.39Å; T176-K180 WeakPolarHBondContact CA-O 3.46Å; Y177-K180 PolarHBondContact N-O 3.19Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 2.95Å; N178-K180 PolarHBondContact O-N 2.95Å; K180-W182 PolarHBondContact O-NE1 3.31Å
181P92.5Very high90.2Very high33 Ų3365 Ų6521%0.21437%0.368CS..EExtended strand (participates in β ladder)trans-86.7139.4-17935-35.2000110.9Y161 Q162 C163 C164 I170Y161-P181 HydrophobicContact CD1-CG 4.32Å; Y161-P181 HydrophobicContact CG-CB 4.39Å; Y161-P181 HydrophobicContact CG-CG 4.29Å; Q162-P181 WeakPolarHBondContact O-CG 3.45Å; C163-P181 WeakPolarHBondContact CA-O 3.16Å; C164-P181 PolarHBondContact N-O 2.85Å; I170-P181 HydrophobicContact CD1-CB 3.67Å; I170-P181 HydrophobicContact CD1-CG 4.37Å
182W93.8Very high91.1Very high44 Ų4464.2 Ų64.217%0.16737%0.365CS..EExtended strand (participates in β ladder)trans-136145.6178.6-53.574.2000110.7C164 A165 G174 V175 K180 F187C164-W182 HydrophobicContact CB-CD2 3.91Å; C164-W182 HydrophobicContact CB-CE3 4.19Å; C164-W182 HydrophobicContact CB-CH2 3.87Å; C164-W182 HydrophobicContact CB-CZ2 3.56Å; C164-W182 HydrophobicContact CB-CZ3 4.19Å; A165-W182 HydrophobicContact CB-CE3 3.78Å; A165-W182 HydrophobicContact CB-CZ3 3.67Å; G174-W182 WeakPolarHBondContact CA-O 3.27Å; V175-W182 HydrophobicContact CG2-CB 3.95Å; V175-W182 PolarHBondContact N-O 3.36Å; V175-W182 PolarHBondContact O-N 3.25Å; K180-W182 PolarHBondContact O-NE1 3.31Å; W182-F187 HydrophobicContact CB-CB 4.2Å; W182-F187 HydrophobicContact CB-CD2 4.46Å; W182-F187 HydrophobicContact CD2-CD2 4.11Å; W182-F187 HydrophobicContact CE3-CD2 4.43Å; W182-F187 HydrophobicContact CG-CD2 4.09Å
183H93.5Very high92.1Very high23 Ų2364.5 Ų64.511%0.10636%0.355CS..  trans-62.9148.8160-62.3104.1000109.4C163 C166 A169 E185 C186 F187C163-H183 WeakPolarHBondContact CB-ND1 3.38Å; C163-H183 PolarHBondContact SG-N 3.47Å; C166-H183 PolarHBondContact SG-CE1 2.99Å; C166-H183 PolarHBondContact SG-ND1 2.8Å; A169-H183 PolarHBondContact O-CE1 3.3Å; A169-H183 PolarHBondContact O-NE2 3.5Å; H183-E185 HydrophobicContact CB-CG 4.06Å; H183-E185 IonicContact CD2-OE1 3.9Å; H183-E185 IonicContact CG-OE1 2.68Å; H183-E185 PolarHBondContact O-N 3.39Å; H183-C186 HydrophobicContact CB-CB 3.88Å; H183-C186 PolarHBondContact O-N 2.95Å; H183-F187 PolarHBondContact O-N 3.45Å
184R93.4Very high93Very high128 Ų12868.1 Ų68.148%0.48336%0.359SS..THydrogen-bonded Turntrans-59.1-41.3-179.3-67.2-177.8174.5-176.1-0.4111V175 C186 F187 Q195V175-R184 HydrophobicContact CG1-CG 4.21Å; R184-C186 VanDerWaalsContact C-N 3.33Å; R184-F187 PolarHBondContact O-N 3.49Å; R184-Q195 WeakPolarHBondContact O-CG 3.5Å; R184-Q195 PolarHBondContact O-NE2 3.05Å
185E93.8Very high93.3Very high116 Ų11670.7 Ų70.754%0.54236%0.362SS..THydrogen-bonded Turntrans-74.3-18.4176.961.4-87.4-160.600113.8H183 L188H183-E185 HydrophobicContact CB-CG 4.06Å; H183-E185 IonicContact CD2-OE1 3.9Å; H183-E185 IonicContact CG-OE1 2.68Å; H183-E185 PolarHBondContact O-N 3.39Å; E185-L188 WeakPolarHBondContact O-CD2 3.11Å; E185-L188 VanDerWaalsContact O-CG 3.32Å; E185-L188 WeakPolarHBondContact O-CG 3.32Å
186C94.9Very high93.5Very high30 Ų3069.3 Ų69.320%0.20335%0.353CS..THydrogen-bonded Turntrans-91.2-14.9174.2-74.80000112.6A165 H183 R184 L188A165-C186 HydrophobicContact CB-CB 3.85Å; H183-C186 HydrophobicContact CB-CB 3.88Å; H183-C186 PolarHBondContact O-N 2.95Å; R184-C186 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.17Å; C186-L188 VanDerWaalsContact O-N 3.1Å
187F95.9Very high93.5Very high6 Ų665.5 Ų65.53%0.02633%0.331CS..  trans-84.781.2177-166.2-117.1000110.5V175 Y177 W182 H183 R184 L196 F201 P208V175-F187 HydrophobicContact CG2-CB 3.63Å; V175-F187 HydrophobicContact CG2-CD1 4.01Å; V175-F187 HydrophobicContact CG2-CD2 4.4Å; V175-F187 HydrophobicContact CG2-CG 3.76Å; Y177-F187 AromaticContact CD1-CE2 3.57Å; Y177-F187 HydrophobicContact CD1-CE2 3.57Å; Y177-F187 HydrophobicContact CD1-CZ 4Å; Y177-F187 HydrophobicContact CD2-CE2 4.3Å; Y177-F187 AromaticContact CD2-CZ 3.92Å; Y177-F187 HydrophobicContact CD2-CZ 3.92Å; Y177-F187 HydrophobicContact CE1-CE2 4.33Å; Y177-F187 AromaticContact CG-CE2 3.55Å; Y177-F187 HydrophobicContact CG-CE2 3.55Å; Y177-F187 AromaticContact CG-CZ 3.62Å; Y177-F187 HydrophobicContact CG-CZ 3.62Å; W182-F187 HydrophobicContact CB-CB 4.2Å; W182-F187 HydrophobicContact CB-CD2 4.46Å; W182-F187 HydrophobicContact CD2-CD2 4.11Å; W182-F187 HydrophobicContact CE3-CD2 4.43Å; W182-F187 HydrophobicContact CG-CD2 4.09Å; H183-F187 PolarHBondContact O-N 3.45Å; R184-F187 PolarHBondContact O-N 3.49Å; F187-L196 HydrophobicContact CD1-CB 3.67Å; F187-L196 HydrophobicContact CE1-CB 3.72Å; F187-L196 HydrophobicContact CE1-CD1 4.42Å; F187-L196 PolarHBondContact O-N 3.23Å; F187-F201 HydrophobicContact CE1-CD1 4.21Å; F187-F201 AromaticContact CE1-CE1 3.78Å; F187-F201 HydrophobicContact CE1-CE1 3.78Å; F187-F201 HydrophobicContact CE1-CE2 4.11Å; F187-F201 AromaticContact CE1-CZ 3.72Å; F187-F201 HydrophobicContact CE1-CZ 3.72Å; F187-F201 HydrophobicContact CZ-CD2 4.34Å; F187-F201 HydrophobicContact CZ-CE1 4.17Å; F187-F201 AromaticContact CZ-CE2 3.71Å; F187-F201 HydrophobicContact CZ-CE2 3.71Å; F187-F201 AromaticContact CZ-CZ 3.62Å; F187-F201 HydrophobicContact CZ-CZ 3.62Å; F187-P208 HydrophobicContact CE2-CB 4.2Å; F187-P208 HydrophobicContact CE2-CG 4.1Å; F187-P208 HydrophobicContact CZ-CB 4.12Å
188L96.1Very high93.5Very high59 Ų5968 Ų6831%0.30937%0.365SS..BIsolated β-bridgetrans-113.4149.5-170-55.7-178.8000112.4E185 C186 I190 K193 K194 Q195E185-L188 WeakPolarHBondContact O-CD2 3.11Å; E185-L188 VanDerWaalsContact O-CG 3.32Å; E185-L188 WeakPolarHBondContact O-CG 3.32Å; C186-L188 PolarHBondContact O-N 3.17Å; C186-L188 VanDerWaalsContact O-N 3.1Å; L188-I190 PolarHBondContact O-N 3.01Å; L188-K193 HydrophobicContact CD1-CB 4.46Å; L188-K193 WeakPolarHBondContact CD2-O 3.39Å; L188-K194 CarbonylContact C-O 3.5Å; L188-K194 WeakPolarHBondContact CA-O 3.35Å; L188-Q195 HydrophobicContact CD2-CB 3.99Å
189C95.6Very high93.6Very high1 Ų169.5 Ų69.51%0.00737%0.369CS..  trans-59.4130.7167.9177.40000110.2G191 K193 K194 L196 C210C189-G191 VanDerWaalsContact C-N 3.3Å; C189-G191 PolarHBondContact O-N 3.48Å; C189-G191 PolarHBondContact SG-N 3.07Å; C189-G191 VanDerWaalsContact SG-N 3.43Å; C189-K193 WeakPolarHBondContact O-CA 3.39Å; C189-K193 PolarHBondContact O-N 3.44Å; C189-K194 PolarHBondContact N-O 2.87Å; C189-L196 HydrophobicContact CB-CD1 4.29Å; C189-L196 HydrophobicContact CB-CD2 4.05Å; C189-L196 HydrophobicContact CB-CG 4.26Å; C189-C210 HydrophobicContact CB-CB 4.27Å; C189-C210 PolarHBondContact SG-N 2.68Å
190I93.6Very high93.7Very high64 Ų6470.7 Ų70.733%0.32836%0.362SS..THydrogen-bonded Turntrans-64.9-36.9178.4-65.5-148.3000112.3L188 K193 Y207 P208 Y209L188-I190 PolarHBondContact O-N 3.01Å; I190-K193 PolarHBondContact O-NZ 3.31Å; I190-Y207 HydrophobicContact CD1-CD1 3.15Å; I190-Y207 HydrophobicContact CD1-CE1 3.98Å; I190-Y207 HydrophobicContact CD1-CG 3.62Å; I190-P208 PolarHBondContact N-O 2.91Å; I190-Y209 HydrophobicContact CB-CE1 4.28Å
191G92.2Very high93.9Very high49 Ų4968.6 Ų68.651%0.50535%0.353SS..THydrogen-bonded Turntrans-71.3-47.7-177.900000114.2C189C189-G191 VanDerWaalsContact C-N 3.3Å; C189-G191 PolarHBondContact O-N 3.48Å; C189-G191 PolarHBondContact SG-N 3.07Å; C189-G191 VanDerWaalsContact SG-N 3.43Å
192C95.3Very high93.8Very high63 Ų6369.3 Ų69.343%0.42636%0.357SS..THydrogen-bonded Turntrans-119.60.4-172.867.20000115.1K194 C213C192-K194 PolarHBondContact O-N 3.3Å; C192-K194 VanDerWaalsContact SG-CB 3.53Å; C192-C213 VanDerWaalsContact CB-SG 3.58Å; C192-C213 VanDerWaalsContact SG-SG 3.61Å
193K95.3Very high93.7Very high135 Ų13569.5 Ų69.559%0.58737%0.365SS*.  trans59.511.2-176.8-49.6-53.9-176.6-159.90115.5L188 C189 I190L188-K193 HydrophobicContact CD1-CB 4.46Å; L188-K193 WeakPolarHBondContact CD2-O 3.39Å; C189-K193 WeakPolarHBondContact O-CA 3.39Å; C189-K193 PolarHBondContact O-N 3.44Å; I190-K193 PolarHBondContact O-NZ 3.31Å
194K95.4Very high93.4Very high119 Ų11973.7 Ų73.752%0.51738%0.38SS..  trans-66139.4172.7-173.3176.3179179.50111L188 C189 C192 L196L188-K194 CarbonylContact C-O 3.5Å; L188-K194 WeakPolarHBondContact CA-O 3.35Å; C189-K194 PolarHBondContact N-O 2.87Å; C192-K194 PolarHBondContact O-N 3.3Å; C192-K194 VanDerWaalsContact SG-CB 3.53Å; K194-L196 PolarHBondContact O-N 2.97Å
195Q96Very high93.1Very high87 Ų8774.2 Ų74.241%0.40739%0.388SS..BIsolated β-bridgetrans-62130.4175.2-177.1174.2-2.200111.7R184 L188R184-Q195 WeakPolarHBondContact O-CG 3.5Å; R184-Q195 PolarHBondContact O-NE2 3.05Å; L188-Q195 HydrophobicContact CD2-CB 3.99Å
196L95.8Very high92.7Very high3 Ų374.5 Ų74.52%0.01639%0.393CS..  trans-102.5-14-178.3-62.5179.6000113.4F187 C189 K194 G198 Q199 F201 P208 C210F187-L196 HydrophobicContact CD1-CB 3.67Å; F187-L196 HydrophobicContact CE1-CB 3.72Å; F187-L196 HydrophobicContact CE1-CD1 4.42Å; F187-L196 PolarHBondContact O-N 3.23Å; C189-L196 HydrophobicContact CB-CD1 4.29Å; C189-L196 HydrophobicContact CB-CD2 4.05Å; C189-L196 HydrophobicContact CB-CG 4.26Å; K194-L196 PolarHBondContact O-N 2.97Å; L196-G198 PolarHBondContact O-N 3.43Å; L196-Q199 PolarHBondContact O-N 3.11Å; L196-F201 HydrophobicContact CB-CB 4.34Å; L196-F201 HydrophobicContact CB-CD1 4.42Å; L196-F201 HydrophobicContact CB-CG 4.39Å; L196-F201 HydrophobicContact CD1-CB 3.99Å; L196-F201 HydrophobicContact CD1-CD2 4.34Å; L196-F201 HydrophobicContact CD1-CG 4.22Å; L196-F201 HydrophobicContact CD2-CB 3.89Å; L196-F201 HydrophobicContact CG-CB 4.3Å; L196-P208 HydrophobicContact CD1-CB 3.68Å; L196-P208 HydrophobicContact CD1-CG 4.31Å; L196-C210 HydrophobicContact CD2-CB 3.78Å
197S92.9Very high92.4Very high27 Ų2779.2 Ų79.219%0.18941%0.407CS..THydrogen-bonded Turntrans-55.8120.6175.31710000110.7Q199S197-Q199 VanDerWaalsContact C-N 3.26Å; S197-Q199 PolarHBondContact O-N 2.85Å
198G90Very high92.3Very high80 Ų8079.4 Ų79.483%0.82541%0.409SS*.THydrogen-bonded Turntrans75.87.2-178.500000115L196L196-G198 PolarHBondContact O-N 3.43Å
199Q91.2Very high92.2Very high115 Ų11577.7 Ų77.754%0.53740%0.399SS..SBendtrans-112.1158.4178.2-61-65.4-36.900110.5L196 S197L196-Q199 PolarHBondContact O-N 3.11Å; S197-Q199 VanDerWaalsContact C-N 3.26Å; S197-Q199 PolarHBondContact O-N 2.85Å
200R90.7Very high92.1Very high185 Ų18578.2 Ų78.270%0.69840%0.402SS*.  trans-72.2131.2169.4-63179.275.4174.12.7109.2L211R200-L211 HydrophobicContact CB-CD1 3.69Å; R200-L211 HydrophobicContact CB-CG 4.39Å
201F93.6Very high91.9Very high74 Ų7477 Ų7733%0.32540%0.396SS..EExtended strand (participates in β ladder)trans-146.2168.9179.275.2-87.4000110Y177 F187 L196 P208 Y209Y177-F201 AromaticContact CD2-CE2 3.97Å; Y177-F201 HydrophobicContact CD2-CE2 3.97Å; Y177-F201 AromaticContact CD2-CZ 3.8Å; Y177-F201 HydrophobicContact CD2-CZ 3.8Å; Y177-F201 AromaticContact CE2-CE2 3.64Å; Y177-F201 HydrophobicContact CE2-CE2 3.64Å; Y177-F201 AromaticContact CE2-CZ 3.91Å; Y177-F201 HydrophobicContact CE2-CZ 3.91Å; F187-F201 HydrophobicContact CE1-CD1 4.21Å; F187-F201 AromaticContact CE1-CE1 3.78Å; F187-F201 HydrophobicContact CE1-CE1 3.78Å; F187-F201 HydrophobicContact CE1-CE2 4.11Å; F187-F201 AromaticContact CE1-CZ 3.72Å; F187-F201 HydrophobicContact CE1-CZ 3.72Å; F187-F201 HydrophobicContact CZ-CD2 4.34Å; F187-F201 HydrophobicContact CZ-CE1 4.17Å; F187-F201 AromaticContact CZ-CE2 3.71Å; F187-F201 HydrophobicContact CZ-CE2 3.71Å; F187-F201 AromaticContact CZ-CZ 3.62Å; F187-F201 HydrophobicContact CZ-CZ 3.62Å; L196-F201 HydrophobicContact CB-CB 4.34Å; L196-F201 HydrophobicContact CB-CD1 4.42Å; L196-F201 HydrophobicContact CB-CG 4.39Å; L196-F201 HydrophobicContact CD1-CB 3.99Å; L196-F201 HydrophobicContact CD1-CD2 4.34Å; L196-F201 HydrophobicContact CD1-CG 4.22Å; L196-F201 HydrophobicContact CD2-CB 3.89Å; L196-F201 HydrophobicContact CG-CB 4.3Å; F201-P208 HydrophobicContact CD2-CB 4.25Å; F201-P208 HydrophobicContact CE2-CB 4.45Å; F201-Y209 WeakPolarHBondContact CA-O 3.46Å; F201-Y209 WeakPolarHBondContact CB-O 2.99Å
202T91.2Very high91.8Very high47 Ų4779.9 Ų79.929%0.28840%0.4SS..EExtended strand (participates in β ladder)trans-137.5171.7172.2-173.60000109Y209 L211 F214T202-Y209 PolarHBondContact N-O 3.05Å; T202-Y209 PolarHBondContact O-N 2.81Å; T202-Y209 VanDerWaalsContact O-O 3.05Å; T202-L211 HydrophobicContact CG2-CD2 4.27Å; T202-F214 HydrophobicContact CG2-CB 3.57Å; T202-F214 HydrophobicContact CG2-CD1 3.74Å; T202-F214 HydrophobicContact CG2-CD2 3.31Å; T202-F214 HydrophobicContact CG2-CE1 4.23Å; T202-F214 HydrophobicContact CG2-CE2 3.82Å; T202-F214 HydrophobicContact CG2-CG 3.24Å; T202-F214 HydrophobicContact CG2-CZ 4.26Å
203S91.1Very high91.7Very high49 Ų4977.9 Ų77.934%0.34339%0.387SS..EExtended strand (participates in β ladder)trans-137.215317961.10000112.5Y177 Y207Y177-S203 WeakPolarHBondContact OH-CB 3.4Å; Y177-S203 PolarHBondContact OH-OG 3.23Å; S203-Y207 WeakPolarHBondContact CA-O 3.2Å; S203-Y207 WeakPolarHBondContact CB-O 3.34Å
204R88.2Confident91.5Very high110 Ų11074.1 Ų74.142%0.41537%0.37SS..EExtended strand (participates in β ladder)trans-137.4132.4172.3-176.1174.2176.1155.74.6108.2N206 Y207 Y209 F214R204-N206 PolarHBondContact O-N 3.07Å; R204-N206 VanDerWaalsContact O-N 3.14Å; R204-Y207 PolarHBondContact N-O 2.91Å; R204-Y207 WeakPolarHBondContact O-CB 3.36Å; R204-Y207 PolarHBondContact O-N 2.92Å; R204-Y209 HydrophobicContact CB-CE2 4.28Å; R204-F214 HydrophobicContact CB-CE2 4.1Å
205E87.3Confident91.1Very high139 Ų13969 Ų6965%0.6535%0.35SS*.THydrogen-bonded Turntrans52.238.5179.8-64.8163.1-148.900112.5Y207E205-Y207 HydrophobicContact CB-CD2 4.27Å; E205-Y207 PolarHBondContact O-N 3.48Å
206N84.1Confident90.7Very high122 Ų12269.2 Ų69.265%0.65235%0.354SS*.THydrogen-bonded Turntrans68.22.1-174.9-56.2-59.1000116.6R204R204-N206 PolarHBondContact O-N 3.07Å; R204-N206 VanDerWaalsContact O-N 3.14Å
207Y89Confident90.2Very high129 Ų12974 Ų7451%0.50638%0.378SS..EExtended strand (participates in β ladder)trans-91.4123176.8-65.9-53.2000111.5I190 S203 R204 E205 Y209I190-Y207 HydrophobicContact CD1-CD1 3.15Å; I190-Y207 HydrophobicContact CD1-CE1 3.98Å; I190-Y207 HydrophobicContact CD1-CG 3.62Å; S203-Y207 WeakPolarHBondContact CA-O 3.2Å; S203-Y207 WeakPolarHBondContact CB-O 3.34Å; R204-Y207 PolarHBondContact N-O 2.91Å; R204-Y207 WeakPolarHBondContact O-CB 3.36Å; R204-Y207 PolarHBondContact O-N 2.92Å; E205-Y207 HydrophobicContact CB-CD2 4.27Å; E205-Y207 PolarHBondContact O-N 3.48Å; Y207-Y209 WeakPolarHBondContact O-CD2 3.16Å; Y207-Y209 WeakPolarHBondContact O-CE2 3.24Å
208P93.2Very high89.8Confident10 Ų1076.7 Ų76.77%0.06539%0.385CS..EExtended strand (participates in β ladder)trans-81.8134.8-179.133.5-35.8000111.8F187 I190 L196 F201F187-P208 HydrophobicContact CE2-CB 4.2Å; F187-P208 HydrophobicContact CE2-CG 4.1Å; F187-P208 HydrophobicContact CZ-CB 4.12Å; I190-P208 PolarHBondContact N-O 2.91Å; L196-P208 HydrophobicContact CD1-CB 3.68Å; L196-P208 HydrophobicContact CD1-CG 4.31Å; F201-P208 HydrophobicContact CD2-CB 4.25Å; F201-P208 HydrophobicContact CE2-CB 4.45Å
209Y94.1Very high89.6Confident24 Ų2474.3 Ų74.39%0.09436%0.358CS..EExtended strand (participates in β ladder)trans-126.5140.7178.2-65.7-91.1000110.2I190 F201 T202 R204 Y207 C213 F214 L217 Y218I190-Y209 HydrophobicContact CB-CE1 4.28Å; F201-Y209 WeakPolarHBondContact CA-O 3.46Å; F201-Y209 WeakPolarHBondContact CB-O 2.99Å; T202-Y209 PolarHBondContact N-O 3.05Å; T202-Y209 PolarHBondContact O-N 2.81Å; T202-Y209 VanDerWaalsContact O-O 3.05Å; R204-Y209 HydrophobicContact CB-CE2 4.28Å; Y207-Y209 WeakPolarHBondContact O-CD2 3.16Å; Y207-Y209 WeakPolarHBondContact O-CE2 3.24Å; Y209-C213 HydrophobicContact CD1-CB 4.33Å; Y209-F214 HydrophobicContact CD2-CD2 4.27Å; Y209-F214 HydrophobicContact CG-CD2 4.39Å; Y209-L217 HydrophobicContact CD1-CD1 4.17Å; Y209-L217 HydrophobicContact CE1-CD1 3.77Å; Y209-Y218 HydrophobicContact CE2-CE2 4.39Å; Y209-Y218 PolarHBondContact OH-OH 3.42Å
210C94.4Very high89.4Confident11 Ų1175.2 Ų75.27%0.07436%0.36CS..EExtended strand (participates in β ladder)trans-64.6156.2161.371.20000109.4C189 L196 D212 C213 F214C189-C210 HydrophobicContact CB-CB 4.27Å; C189-C210 PolarHBondContact SG-N 2.68Å; L196-C210 HydrophobicContact CD2-CB 3.78Å; C210-D212 PolarHBondContact O-N 3.35Å; C210-C213 PolarHBondContact O-N 2.89Å; C210-C213 PolarHBondContact SG-N 2.94Å; C210-C213 VanDerWaalsContact SG-N 3.38Å; C210-C213 PolarHBondContact SG-SG 3.46Å; C210-F214 WeakPolarHBondContact O-CB 3.24Å; C210-F214 PolarHBondContact O-N 3.27Å
211L90.1Very high89.3Confident39 Ų3972.5 Ų72.520%0.20435%0.353CS..Hα-helixtrans-58.2-36.5-177.4-63.7176.7000112.6R200 T202 S215 L232R200-L211 HydrophobicContact CB-CD1 3.69Å; R200-L211 HydrophobicContact CB-CG 4.39Å; T202-L211 HydrophobicContact CG2-CD2 4.27Å; L211-S215 WeakPolarHBondContact O-CB 3.36Å; L211-S215 PolarHBondContact O-N 2.99Å; L211-S215 PolarHBondContact O-OG 3.43Å; L211-L232 HydrophobicContact CB-CD1 3.88Å; L211-L232 HydrophobicContact CD1-CD1 4Å; L211-L232 HydrophobicContact CD1-CD2 3.6Å; L211-L232 HydrophobicContact CD1-CG 4.43Å; L211-L232 HydrophobicContact CD2-CD1 4.19Å; L211-L232 HydrophobicContact CD2-CD2 4.13Å; L211-L232 HydrophobicContact CG-CD1 4.24Å; L211-L232 HydrophobicContact CG-CD2 4.4Å
212D89.7Confident89.1Confident110 Ų11069.1 Ų69.159%0.58834%0.338SS*.Hα-helixtrans-65.9-50.3178.5-54.6-38.5000111.8C210 F214 S215 N216C210-D212 PolarHBondContact O-N 3.35Å; D212-F214 VanDerWaalsContact C-N 3.34Å; D212-F214 PolarHBondContact O-N 3.24Å; D212-S215 PolarHBondContact O-N 3.43Å; D212-N216 WeakPolarHBondContact O-CB 3.39Å; D212-N216 PolarHBondContact O-N 2.85Å; D212-N216 PolarHBondContact O-ND2 2.84Å
213C92.6Very high89.1Confident21 Ų2170.1 Ų70.114%0.14235%0.345CS..Hα-helixtrans-62.6-42.8177.7-74.50000111.4C192 Y209 C210 N216 L217C192-C213 VanDerWaalsContact CB-SG 3.58Å; C192-C213 VanDerWaalsContact SG-SG 3.61Å; Y209-C213 HydrophobicContact CD1-CB 4.33Å; C210-C213 PolarHBondContact O-N 2.89Å; C210-C213 PolarHBondContact SG-N 2.94Å; C210-C213 VanDerWaalsContact SG-N 3.38Å; C210-C213 PolarHBondContact SG-SG 3.46Å; C213-N216 PolarHBondContact O-N 3.39Å; C213-L217 WeakPolarHBondContact O-CB 3.21Å; C213-L217 VanDerWaalsContact O-CG 3.26Å; C213-L217 WeakPolarHBondContact O-CG 3.15Å; C213-L217 PolarHBondContact O-N 3.1Å; C213-L217 VanDerWaalsContact O-N 3.1Å
214F91Very high88.9Confident55 Ų5570.3 Ų70.324%0.24135%0.354CS..Hα-helixtrans-61.6-46.8177.8-173.1-89.9000111.4T202 R204 Y209 C210 D212 L217 Y218T202-F214 HydrophobicContact CG2-CB 3.57Å; T202-F214 HydrophobicContact CG2-CD1 3.74Å; T202-F214 HydrophobicContact CG2-CD2 3.31Å; T202-F214 HydrophobicContact CG2-CE1 4.23Å; T202-F214 HydrophobicContact CG2-CE2 3.82Å; T202-F214 HydrophobicContact CG2-CG 3.24Å; T202-F214 HydrophobicContact CG2-CZ 4.26Å; R204-F214 HydrophobicContact CB-CE2 4.1Å; Y209-F214 HydrophobicContact CD2-CD2 4.27Å; Y209-F214 HydrophobicContact CG-CD2 4.39Å; C210-F214 WeakPolarHBondContact O-CB 3.24Å; C210-F214 PolarHBondContact O-N 3.27Å; D212-F214 VanDerWaalsContact C-N 3.34Å; D212-F214 PolarHBondContact O-N 3.24Å; F214-L217 PolarHBondContact O-N 3.24Å; F214-Y218 HydrophobicContact CD1-CD2 4.28Å; F214-Y218 AromaticContact CD2-CD2 3.5Å; F214-Y218 HydrophobicContact CD2-CD2 3.5Å; F214-Y218 VanDerWaalsContact CD2-CD2 3.5Å; F214-Y218 AromaticContact CD2-CE2 3.85Å; F214-Y218 HydrophobicContact CD2-CE2 3.85Å; F214-Y218 HydrophobicContact CE1-CD2 4.34Å; F214-Y218 AromaticContact CE2-CD2 3.6Å; F214-Y218 HydrophobicContact CE2-CD2 3.6Å; F214-Y218 HydrophobicContact CE2-CE2 4.04Å; F214-Y218 AromaticContact CG-CD2 3.88Å; F214-Y218 HydrophobicContact CG-CD2 3.88Å; F214-Y218 HydrophobicContact CZ-CD2 4.02Å; F214-Y218 WeakPolarHBondContact O-CB 3.41Å; F214-Y218 WeakPolarHBondContact O-CD2 3.21Å; F214-Y218 PolarHBondContact O-N 3.1Å
215S88Confident89Confident12 Ų1266.9 Ų66.98%0.08435%0.347CS..Hα-helixtrans-63.4-43.6179.5-60.60000111.8L211 D212 L217 A219 T230L211-S215 WeakPolarHBondContact O-CB 3.36Å; L211-S215 PolarHBondContact O-N 2.99Å; L211-S215 PolarHBondContact O-OG 3.43Å; D212-S215 PolarHBondContact O-N 3.43Å; S215-L217 VanDerWaalsContact C-N 3.28Å; S215-L217 PolarHBondContact O-N 3.43Å; S215-A219 VanDerWaalsContact O-CB 3.24Å; S215-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 PolarHBondContact O-N 2.82Å; S215-T230 WeakPolarHBondContact OG-CG2 3.43Å
216N86.7Confident89.1Confident92 Ų9265.3 Ų65.349%0.49235%0.346SS..Hα-helixtrans-62.4-34.3177.9-75-26000113.1D212 C213 P228D212-N216 WeakPolarHBondContact O-CB 3.39Å; D212-N216 PolarHBondContact O-N 2.85Å; D212-N216 PolarHBondContact O-ND2 2.84Å; C213-N216 PolarHBondContact O-N 3.39Å; N216-P228 WeakPolarHBondContact OD1-CG 3.49Å
217L85.9Confident89.2Confident102 Ų10266.1 Ų66.153%0.53434%0.344SS..Hα-helixtrans-85.1-34.7-178.7-69.5171000113.1Y209 C213 F214 S215Y209-L217 HydrophobicContact CD1-CD1 4.17Å; Y209-L217 HydrophobicContact CE1-CD1 3.77Å; C213-L217 WeakPolarHBondContact O-CB 3.21Å; C213-L217 VanDerWaalsContact O-CG 3.26Å; C213-L217 WeakPolarHBondContact O-CG 3.15Å; C213-L217 PolarHBondContact O-N 3.1Å; C213-L217 VanDerWaalsContact O-N 3.1Å; F214-L217 PolarHBondContact O-N 3.24Å; S215-L217 VanDerWaalsContact C-N 3.28Å; S215-L217 PolarHBondContact O-N 3.43Å
218Y84.4Confident89.1Confident85 Ų8561.1 Ų61.133%0.33333%0.327SS..Hα-helixtrans-128.5-17.5-164.1-53.2-57000115.6Y209 F214Y209-Y218 HydrophobicContact CE2-CE2 4.39Å; Y209-Y218 PolarHBondContact OH-OH 3.42Å; F214-Y218 HydrophobicContact CD1-CD2 4.28Å; F214-Y218 AromaticContact CD2-CD2 3.5Å; F214-Y218 HydrophobicContact CD2-CD2 3.5Å; F214-Y218 VanDerWaalsContact CD2-CD2 3.5Å; F214-Y218 AromaticContact CD2-CE2 3.85Å; F214-Y218 HydrophobicContact CD2-CE2 3.85Å; F214-Y218 HydrophobicContact CE1-CD2 4.34Å; F214-Y218 AromaticContact CE2-CD2 3.6Å; F214-Y218 HydrophobicContact CE2-CD2 3.6Å; F214-Y218 HydrophobicContact CE2-CE2 4.04Å; F214-Y218 AromaticContact CG-CD2 3.88Å; F214-Y218 HydrophobicContact CG-CD2 3.88Å; F214-Y218 HydrophobicContact CZ-CD2 4.02Å; F214-Y218 WeakPolarHBondContact O-CB 3.41Å; F214-Y218 WeakPolarHBondContact O-CD2 3.21Å; F214-Y218 PolarHBondContact O-N 3.1Å
219A85.6Confident88.8Confident30 Ų3061.6 Ų61.625%0.24833%0.329CS..SBendtrans-76.9148.2176.500000110.6S215 P228S215-A219 VanDerWaalsContact O-CB 3.24Å; S215-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 PolarHBondContact O-N 2.82Å; A219-P228 HydrophobicContact CB-CB 4.01Å
220K85.9Confident88Confident133 Ų13363.2 Ų63.258%0.57834%0.342SS*.PPolyproline II helixtrans-59.8144171.5-66.5-75.8-172.3167.10109.2I229K220-I229 PolarHBondContact O-N 3.04Å
221K89Confident86.5Confident129 Ų12967.6 Ų67.656%0.56137%0.373SS*.BIsolated β-bridgetrans-99.2139.4-177.7-66.8-178.9179.2-177.80110.2V223 T226K221-V223 PolarHBondContact O-N 3.45Å; K221-T226 WeakPolarHBondContact CD-O 3.29Å
222C90.2Very high85Confident2 Ų269.3 Ų69.31%0.01438%0.382CS..PPolyproline II helixtrans-64.1129.3172.7174.10000109.6G224 C225 T226 K227 I229 Q244 H246 C249C222-G224 VanDerWaalsContact C-N 3.3Å; C222-G224 PolarHBondContact O-N 2.89Å; C222-G224 PolarHBondContact SG-N 2.89Å; C222-G224 VanDerWaalsContact SG-N 3.44Å; C222-C225 VanDerWaalsContact SG-SG 3.67Å; C222-T226 WeakPolarHBondContact O-CA 3.19Å; C222-T226 PolarHBondContact O-N 3.24Å; C222-K227 WeakPolarHBondContact CB-O 3.46Å; C222-K227 PolarHBondContact N-O 3.49Å; C222-I229 HydrophobicContact CB-CD1 4.28Å; C222-I229 HydrophobicContact CB-CG1 4.02Å; C222-Q244 CarbonylContact C-O 3.56Å; C222-Q244 VanDerWaalsContact CA-O 3.31Å; C222-Q244 WeakPolarHBondContact CA-O 3.2Å; C222-H246 VanDerWaalsContact CB-CE1 3.42Å; C222-H246 WeakPolarHBondContact CB-CE1 3.34Å; C222-H246 VanDerWaalsContact CB-ND1 3.29Å; C222-H246 WeakPolarHBondContact CB-ND1 3.21Å; C222-H246 PolarHBondContact SG-N 2.88Å; C222-H246 VanDerWaalsContact SG-N 3.43Å; C222-H246 PolarHBondContact SG-ND1 3.44Å; C222-H246 VanDerWaalsContact SG-ND1 3.42Å; C222-C249 WeakPolarHBondContact SG-CB 3.5Å
223V90.1Very high83.2Confident69 Ų6968.5 Ų68.542%0.41839%0.39SS..THydrogen-bonded Turntrans-63.8-38.4177.6174.50000110.9K221 R243 Q244 W245K221-V223 PolarHBondContact O-N 3.45Å; V223-R243 HydrophobicContact CG2-CB 3.86Å; V223-R243 HydrophobicContact CG2-CG 4.01Å; V223-Q244 PolarHBondContact N-O 3.23Å; V223-W245 HydrophobicContact CB-CD2 4.48Å; V223-W245 HydrophobicContact CB-CZ2 4.19Å; V223-W245 HydrophobicContact CG1-CZ2 4.31Å; V223-W245 HydrophobicContact CG2-CZ2 4.47Å
224G88.3Confident81.5Confident52 Ų5270.8 Ų70.854%0.53642%0.417SS..THydrogen-bonded Turntrans-70.6-39.5-177.100000114.8C222C222-G224 VanDerWaalsContact C-N 3.3Å; C222-G224 PolarHBondContact O-N 2.89Å; C222-G224 PolarHBondContact SG-N 2.89Å; C222-G224 VanDerWaalsContact SG-N 3.44Å
225C89.6Confident80.2Confident39 Ų3971 Ų7126%0.26443%0.429SS..THydrogen-bonded Turntrans-120.9-2.5-174.2760000114.7C222 K227 H246C222-C225 VanDerWaalsContact SG-SG 3.67Å; C225-K227 PolarHBondContact O-N 3.38Å; C225-H246 PolarHBondContact SG-CE1 3.06Å; C225-H246 PolarHBondContact SG-ND1 2.86Å
226T88.6Confident79.6Confident105 Ų10579 Ų7964%0.64446%0.462SS*.  trans62-3.3-176.673.40000116.3K221 C222K221-T226 WeakPolarHBondContact CD-O 3.29Å; C222-T226 WeakPolarHBondContact O-CA 3.19Å; C222-T226 PolarHBondContact O-N 3.24Å
227K87.3Confident79.7Confident140 Ų14080 Ų8061%0.60946%0.46SS*.  trans-74.8150.8177-61.6177.7-178175.80110.9C222 C225C222-K227 WeakPolarHBondContact CB-O 3.46Å; C222-K227 PolarHBondContact N-O 3.49Å; C225-K227 PolarHBondContact O-N 3.38Å
228P87.2Confident79.8Confident23 Ų2377.2 Ų77.215%0.14945%0.445CS..BIsolated β-bridgetrans-61.3144177.1-1829000112.9N216 A219 T230 H246N216-P228 WeakPolarHBondContact OD1-CG 3.49Å; A219-P228 HydrophobicContact CB-CB 4.01Å; P228-T230 HydrophobicContact CB-CG2 4.24Å; P228-T230 PolarHBondContact O-N 3.42Å; P228-H246 PolarHBondContact O-NE2 3.06Å; P228-H246 VanDerWaalsContact O-NE2 3.1Å
229I86.1Confident80.1Confident21 Ų2176.8 Ų76.811%0.10845%0.454CS..  trans-89.598171.9-57.7178.7000107.4K220 C222 Y237 Q244K220-I229 PolarHBondContact O-N 3.04Å; C222-I229 HydrophobicContact CB-CD1 4.28Å; C222-I229 HydrophobicContact CB-CG1 4.02Å; I229-Y237 HydrophobicContact CG2-CD1 4.06Å; I229-Y237 HydrophobicContact CG2-CG 3.89Å; I229-Q244 HydrophobicContact CD1-CB 3.36Å
230T76.6Confident80.3Confident58 Ų5879 Ų7936%0.35646%0.458SS..  trans-95.7122.2-17957.80000110.4S215 P228 L232S215-T230 WeakPolarHBondContact OG-CG2 3.43Å; P228-T230 HydrophobicContact CB-CG2 4.24Å; P228-T230 PolarHBondContact O-N 3.42Å; T230-L232 PolarHBondContact O-N 2.9Å
231S64.2Low80.4Confident103 Ų10379 Ų7972%0.7246%0.461SS*.G310 helixtrans-74.83.7176.748.80000113.8A233 G234S231-A233 PolarHBondContact O-N 3.12Å; S231-A233 VanDerWaalsContact O-N 3.1Å; S231-G234 PolarHBondContact O-N 3.2Å
232L58.8Low80.2Confident75 Ų7581.1 Ų81.139%0.39347%0.472SS..G310 helixtrans-68.7-10.7-168-83.4153.6000115.2L211 T230L211-L232 HydrophobicContact CB-CD1 3.88Å; L211-L232 HydrophobicContact CD1-CD1 4Å; L211-L232 HydrophobicContact CD1-CD2 3.6Å; L211-L232 HydrophobicContact CD1-CG 4.43Å; L211-L232 HydrophobicContact CD2-CD1 4.19Å; L211-L232 HydrophobicContact CD2-CD2 4.13Å; L211-L232 HydrophobicContact CG-CD1 4.24Å; L211-L232 HydrophobicContact CG-CD2 4.4Å; T230-L232 PolarHBondContact O-N 2.9Å
233A52Low80.2Confident92 Ų9283.4 Ų83.476%0.7648%0.481SS*.G310 helixtrans-124.815-179.100000114.2S231 A235S231-A233 PolarHBondContact O-N 3.12Å; S231-A233 VanDerWaalsContact O-N 3.1Å; A233-A235 PolarHBondContact O-N 2.86Å
234G55.9Low80.3Confident70 Ų7082.1 Ų82.172%0.72247%0.47SS*.  trans65.914.8-173.900000113.7S231 K236S231-G234 PolarHBondContact O-N 3.2Å; G234-K236 PolarHBondContact O-N 3.49Å
235A63.8Low80.5Confident58 Ų5880 Ų8048%0.47945%0.446SS..  trans-62.511917700000109.5A233A233-A235 PolarHBondContact O-N 2.86Å
236K75.3Confident80.5Confident181 Ų18180.2 Ų80.279%0.78744%0.443SS*.  trans-67.7140.8172.4-63.8-179.9-179.1178.30108.2G234 S247G234-K236 PolarHBondContact O-N 3.49Å; K236-S247 PolarHBondContact O-OG 3.47Å
237Y88.2Confident80.6Confident114 Ų11476.9 Ų76.945%0.44742%0.424SS..EExtended strand (participates in β ladder)trans-124.4155.8173.764.9-89000108.6I229 W245I229-Y237 HydrophobicContact CG2-CD1 4.06Å; I229-Y237 HydrophobicContact CG2-CG 3.89Å; Y237-W245 WeakPolarHBondContact CA-O 3.47Å; Y237-W245 WeakPolarHBondContact CB-O 3.48Å
238I89.6Confident80.7Confident43 Ų4378.6 Ų78.622%0.22143%0.434CS..EExtended strand (participates in β ladder)trans-101.5128176.8-52.9-59.3000107.6Q244 W245 F250 V260I238-Q244 WeakPolarHBondContact O-CA 3.48Å; I238-W245 PolarHBondContact N-O 3.28Å; I238-W245 PolarHBondContact O-N 3.42Å; I238-F250 HydrophobicContact CB-CB 4.36Å; I238-F250 HydrophobicContact CB-CD1 4.46Å; I238-F250 HydrophobicContact CB-CD2 4.21Å; I238-F250 HydrophobicContact CB-CG 4.09Å; I238-F250 HydrophobicContact CG1-CB 4.05Å; I238-F250 HydrophobicContact CG1-CD1 4.22Å; I238-F250 HydrophobicContact CG1-CG 4.07Å; I238-F250 HydrophobicContact CG2-CD1 4.05Å; I238-F250 HydrophobicContact CG2-CD2 3.94Å; I238-F250 HydrophobicContact CG2-CE1 4.07Å; I238-F250 HydrophobicContact CG2-CE2 3.95Å; I238-F250 HydrophobicContact CG2-CG 3.99Å; I238-F250 HydrophobicContact CG2-CZ 4.03Å; I238-V260 HydrophobicContact CD1-CG1 4.37Å; I238-V260 HydrophobicContact CD1-CG2 4.38Å; I238-V260 HydrophobicContact CG1-CG2 4.26Å
239S89.9Confident80.9Confident76 Ų7679 Ų7953%0.53144%0.437SS..EExtended strand (participates in β ladder)trans-114.9127.8172.656.40000109.5
240F89.6Confident81.3Confident75 Ų7578.2 Ų78.233%0.32943%0.433SS..EExtended strand (participates in β ladder)trans-140125.9170.6-179.2-99000108.2R243 W245 F264 T266F240-R243 PolarHBondContact N-O 3.44Å; F240-R243 WeakPolarHBondContact O-CB 3.42Å; F240-R243 PolarHBondContact O-N 3.48Å; F240-R243 VanDerWaalsContact O-O 3.09Å; F240-W245 HydrophobicContact CB-CZ3 4.01Å; F240-F264 HydrophobicContact CB-CZ 4.23Å; F240-F264 AromaticContact CD1-CE2 3.96Å; F240-F264 HydrophobicContact CD1-CE2 3.96Å; F240-F264 HydrophobicContact CD1-CZ 4.04Å; F240-F264 HydrophobicContact CD2-CE2 4.31Å; F240-F264 AromaticContact CD2-CZ 3.6Å; F240-F264 HydrophobicContact CD2-CZ 3.6Å; F240-F264 HydrophobicContact CE1-CE2 4.09Å; F240-F264 HydrophobicContact CE1-CZ 4.32Å; F240-F264 HydrophobicContact CE2-CE2 4.39Å; F240-F264 AromaticContact CE2-CZ 3.89Å; F240-F264 HydrophobicContact CE2-CZ 3.89Å; F240-F264 HydrophobicContact CG-CE2 4.08Å; F240-F264 AromaticContact CG-CZ 3.66Å; F240-F264 HydrophobicContact CG-CZ 3.66Å; F240-F264 HydrophobicContact CZ-CE2 4.29Å; F240-F264 HydrophobicContact CZ-CZ 4.24Å; F240-T266 HydrophobicContact CD1-CG2 4.16Å; F240-T266 HydrophobicContact CE1-CG2 3.57Å; F240-T266 HydrophobicContact CZ-CG2 4.35Å
241E87.6Confident82.2Confident135 Ų13577.5 Ų77.563%0.63143%0.428SS*.THydrogen-bonded Turntrans50.7-135.9-166.7-59.5176.9167.600111R243E241-R243 VanDerWaalsContact C-N 3.25Å; E241-R243 PolarHBondContact O-N 3.42Å
242E86.1Confident83.6Confident172 Ų17272.6 Ų72.680%0.80440%0.395SS*.THydrogen-bonded Turntrans-85.14176.5-65-58.5132.500113.2
243R89.9Confident85.2Confident51 Ų5174.8 Ų74.819%0.19240%0.404CS..EExtended strand (participates in β ladder)trans-101.6145.6-176.7-64.9-177.1-174.8156.612.2111V223 F240 E241 W245 R268 D269V223-R243 HydrophobicContact CG2-CB 3.86Å; V223-R243 HydrophobicContact CG2-CG 4.01Å; F240-R243 PolarHBondContact N-O 3.44Å; F240-R243 WeakPolarHBondContact O-CB 3.42Å; F240-R243 PolarHBondContact O-N 3.48Å; F240-R243 VanDerWaalsContact O-O 3.09Å; E241-R243 VanDerWaalsContact C-N 3.25Å; E241-R243 PolarHBondContact O-N 3.42Å; R243-W245 HydrophobicContact CB-CE3 4.28Å; R243-W245 HydrophobicContact CB-CH2 3.16Å; R243-W245 HydrophobicContact CB-CZ2 3.84Å; R243-W245 HydrophobicContact CB-CZ3 3.41Å; R243-W245 VanDerWaalsContact CB-CZ3 3.41Å; R243-W245 HydrophobicContact CG-CH2 4.1Å; R243-W245 WeakPolarHBondContact O-CZ3 3.5Å; R243-R268 PolarHBondContact NH1-O 2.86Å; R243-R268 PolarHBondContact NH2-O 2.81Å; R243-D269 IonicContact CZ-OD1 2.97Å; R243-D269 PolarHBondContact NH1-O 3.02Å; R243-D269 VanDerWaalsContact NH1-O 3.12Å; R243-D269 IonicContact NH2-OD1 2.96Å; R243-D269 PolarHBondContact NH2-OD1 3.14Å
244Q91.8Very high87.1Confident42 Ų4275.4 Ų75.420%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-134.9144.5-179.2-59.7-173.3-34.900110.6C222 V223 I229 I238C222-Q244 CarbonylContact C-O 3.56Å; C222-Q244 VanDerWaalsContact CA-O 3.31Å; C222-Q244 WeakPolarHBondContact CA-O 3.2Å; V223-Q244 PolarHBondContact N-O 3.23Å; I229-Q244 HydrophobicContact CD1-CB 3.36Å; I238-Q244 WeakPolarHBondContact O-CA 3.48Å
245W91.9Very high88.9Confident7 Ų775.2 Ų75.23%0.02738%0.378CS..EExtended strand (participates in β ladder)trans-134.1146.2178.1-62.3-105000110.2V223 Y237 I238 F240 R243 C249 F250 I271V223-W245 HydrophobicContact CB-CD2 4.48Å; V223-W245 HydrophobicContact CB-CZ2 4.19Å; V223-W245 HydrophobicContact CG1-CZ2 4.31Å; V223-W245 HydrophobicContact CG2-CZ2 4.47Å; Y237-W245 WeakPolarHBondContact CA-O 3.47Å; Y237-W245 WeakPolarHBondContact CB-O 3.48Å; I238-W245 PolarHBondContact N-O 3.28Å; I238-W245 PolarHBondContact O-N 3.42Å; F240-W245 HydrophobicContact CB-CZ3 4.01Å; R243-W245 HydrophobicContact CB-CE3 4.28Å; R243-W245 HydrophobicContact CB-CH2 3.16Å; R243-W245 HydrophobicContact CB-CZ2 3.84Å; R243-W245 HydrophobicContact CB-CZ3 3.41Å; R243-W245 VanDerWaalsContact CB-CZ3 3.41Å; R243-W245 HydrophobicContact CG-CH2 4.1Å; R243-W245 WeakPolarHBondContact O-CZ3 3.5Å; W245-C249 HydrophobicContact CB-CB 4.47Å; W245-F250 HydrophobicContact CB-CB 4.1Å; W245-F250 HydrophobicContact CB-CD2 4.12Å; W245-F250 AromaticContact CD2-CD2 3.77Å; W245-F250 HydrophobicContact CD2-CD2 3.77Å; W245-F250 HydrophobicContact CD2-CE2 4.21Å; W245-F250 AromaticContact CE3-CD2 3.89Å; W245-F250 HydrophobicContact CE3-CD2 3.89Å; W245-F250 HydrophobicContact CE3-CE2 4.01Å; W245-F250 AromaticContact CG-CD2 3.89Å; W245-F250 HydrophobicContact CG-CD2 3.89Å; W245-F250 HydrophobicContact CZ3-CE2 4.19Å; W245-I271 HydrophobicContact CH2-CG2 4.35Å; W245-I271 HydrophobicContact CZ2-CD1 4.21Å; W245-I271 HydrophobicContact CZ2-CG2 4.05Å
246H90.5Very high90.3Very high44 Ų4476.7 Ų76.720%0.20439%0.385CS..EExtended strand (participates in β ladder)trans-58.8145.5156.3-55.7111000108.4C222 C225 P228 E248 C249 F250C222-H246 VanDerWaalsContact CB-CE1 3.42Å; C222-H246 WeakPolarHBondContact CB-CE1 3.34Å; C222-H246 VanDerWaalsContact CB-ND1 3.29Å; C222-H246 WeakPolarHBondContact CB-ND1 3.21Å; C222-H246 PolarHBondContact SG-N 2.88Å; C222-H246 VanDerWaalsContact SG-N 3.43Å; C222-H246 PolarHBondContact SG-ND1 3.44Å; C222-H246 VanDerWaalsContact SG-ND1 3.42Å; C225-H246 PolarHBondContact SG-CE1 3.06Å; C225-H246 PolarHBondContact SG-ND1 2.86Å; P228-H246 PolarHBondContact O-NE2 3.06Å; P228-H246 VanDerWaalsContact O-NE2 3.1Å; H246-E248 PolarHBondContact O-N 2.94Å; H246-E248 VanDerWaalsContact O-N 3.11Å; H246-C249 HydrophobicContact CB-CB 4.2Å; H246-C249 WeakPolarHBondContact O-CA 3.36Å; H246-C249 PolarHBondContact O-N 2.9Å; H246-F250 PolarHBondContact O-N 3.3Å
247S90.1Very high91.2Very high34 Ų3470.3 Ų70.324%0.23836%0.361CS..G310 helixtrans-54.2-34179.3-660000113.2K236 V260K236-S247 PolarHBondContact O-OG 3.47Å; S247-V260 WeakPolarHBondContact O-CG2 3.32Å
248E90.1Very high91.5Very high177 Ų17767.4 Ų67.483%0.82736%0.357SS*.G310 helixtrans-72.6-25.1176-65.2163.8-162.800113.5H246H246-E248 PolarHBondContact O-N 2.94Å; H246-E248 VanDerWaalsContact O-N 3.11Å
249C91.9Very high91.7Very high31 Ų3165.3 Ų65.321%0.20935%0.347CS..G310 helixtrans-91.7-2.6178.8-60.30000113C222 W245 H246 T251C222-C249 WeakPolarHBondContact SG-CB 3.5Å; W245-C249 HydrophobicContact CB-CB 4.47Å; H246-C249 HydrophobicContact CB-CB 4.2Å; H246-C249 WeakPolarHBondContact O-CA 3.36Å; H246-C249 PolarHBondContact O-N 2.9Å; C249-T251 VanDerWaalsContact C-N 3.3Å; C249-T251 PolarHBondContact O-N 2.9Å; C249-T251 VanDerWaalsContact O-N 3.12Å
250F94Very high91.8Very high4 Ų464.8 Ų64.82%0.01834%0.34CS..  trans-86.574.1178.1-165.3-111.6000110I238 W245 H246 L259 V260 F264 I271I238-F250 HydrophobicContact CB-CB 4.36Å; I238-F250 HydrophobicContact CB-CD1 4.46Å; I238-F250 HydrophobicContact CB-CD2 4.21Å; I238-F250 HydrophobicContact CB-CG 4.09Å; I238-F250 HydrophobicContact CG1-CB 4.05Å; I238-F250 HydrophobicContact CG1-CD1 4.22Å; I238-F250 HydrophobicContact CG1-CG 4.07Å; I238-F250 HydrophobicContact CG2-CD1 4.05Å; I238-F250 HydrophobicContact CG2-CD2 3.94Å; I238-F250 HydrophobicContact CG2-CE1 4.07Å; I238-F250 HydrophobicContact CG2-CE2 3.95Å; I238-F250 HydrophobicContact CG2-CG 3.99Å; I238-F250 HydrophobicContact CG2-CZ 4.03Å; W245-F250 HydrophobicContact CB-CB 4.1Å; W245-F250 HydrophobicContact CB-CD2 4.12Å; W245-F250 AromaticContact CD2-CD2 3.77Å; W245-F250 HydrophobicContact CD2-CD2 3.77Å; W245-F250 HydrophobicContact CD2-CE2 4.21Å; W245-F250 AromaticContact CE3-CD2 3.89Å; W245-F250 HydrophobicContact CE3-CD2 3.89Å; W245-F250 HydrophobicContact CE3-CE2 4.01Å; W245-F250 AromaticContact CG-CD2 3.89Å; W245-F250 HydrophobicContact CG-CD2 3.89Å; W245-F250 HydrophobicContact CZ3-CE2 4.19Å; H246-F250 PolarHBondContact O-N 3.3Å; F250-L259 HydrophobicContact CD1-CB 3.58Å; F250-L259 HydrophobicContact CE1-CB 3.46Å; F250-L259 VanDerWaalsContact CE1-CB 3.46Å; F250-L259 HydrophobicContact CG-CB 4.46Å; F250-L259 HydrophobicContact CZ-CB 4.27Å; F250-L259 PolarHBondContact O-N 2.97Å; F250-V260 HydrophobicContact CB-CG2 4.21Å; F250-V260 HydrophobicContact CD1-CG2 4.13Å; F250-F264 HydrophobicContact CE1-CD1 4.15Å; F250-F264 HydrophobicContact CE1-CE1 4.26Å; F250-F264 AromaticContact CZ-CD1 3.85Å; F250-F264 HydrophobicContact CZ-CD1 3.85Å; F250-F264 HydrophobicContact CZ-CD2 4.34Å; F250-F264 AromaticContact CZ-CE1 3.72Å; F250-F264 HydrophobicContact CZ-CE1 3.72Å; F250-F264 HydrophobicContact CZ-CE2 4.22Å; F250-F264 HydrophobicContact CZ-CG 4.17Å; F250-F264 AromaticContact CZ-CZ 3.91Å; F250-F264 HydrophobicContact CZ-CZ 3.91Å; F250-I271 HydrophobicContact CD2-CD1 3.55Å; F250-I271 HydrophobicContact CE2-CD1 3.53Å; F250-I271 HydrophobicContact CG-CD1 4.35Å; F250-I271 HydrophobicContact CZ-CD1 4.32Å
251T94.6Very high91.8Very high43 Ų4365.4 Ų65.426%0.26437%0.367SS..BIsolated β-bridgetrans-126.2155.6-173.754.80000111.8C249 M253 S256 V257 I271C249-T251 VanDerWaalsContact C-N 3.3Å; C249-T251 PolarHBondContact O-N 2.9Å; C249-T251 VanDerWaalsContact O-N 3.12Å; T251-M253 PolarHBondContact O-N 3.45Å; T251-S256 WeakPolarHBondContact CB-O 3.35Å; T251-S256 WeakPolarHBondContact CG2-O 3.26Å; T251-V257 CarbonylContact C-O 3.58Å; T251-V257 WeakPolarHBondContact CA-O 3.41Å; T251-V257 WeakPolarHBondContact CB-O 3.44Å; T251-I271 WeakPolarHBondContact O-CG1 3.12Å
252C94.4Very high91.9Very high1 Ų166.3 Ų66.31%0.00737%0.365CS..  trans-63.2130.5174.1178.50000110.5Q254 C255 S256 V257 L259 C273C252-Q254 PolarHBondContact O-N 3.1Å; C252-C255 VanDerWaalsContact CB-SG 3.57Å; C252-S256 WeakPolarHBondContact O-CA 3.44Å; C252-S256 PolarHBondContact O-N 3.35Å; C252-V257 HydrophobicContact CB-CG1 3.88Å; C252-V257 PolarHBondContact N-O 3.3Å; C252-L259 HydrophobicContact CB-CD1 4.45Å; C252-L259 HydrophobicContact CB-CD2 4.2Å; C252-L259 HydrophobicContact CB-CG 4.44Å; C252-C273 HydrophobicContact CB-CB 4.17Å; C252-C273 PolarHBondContact SG-N 3.06Å
253M91.8Very high92.1Very high121 Ų12160.6 Ų60.660%0.59635%0.352SS*.THydrogen-bonded Turntrans-60.3-29.5-180-176.459.2154.600113.7T251 D270 I271 L272T251-M253 PolarHBondContact O-N 3.45Å; M253-D270 HydrophobicContact CB-CB 4.24Å; M253-D270 HydrophobicContact CG-CB 4.28Å; M253-I271 PolarHBondContact N-O 3.24Å; M253-L272 HydrophobicContact CB-CD2 4.03Å
254Q91.6Very high92.3Very high105 Ų10560.8 Ų60.849%0.49136%0.355SS..THydrogen-bonded Turntrans-90.9-42.6-176.3-75.9-175.3-31.900114C252 L272 C276C252-Q254 PolarHBondContact O-N 3.1Å; Q254-L272 HydrophobicContact CB-CD2 4.29Å; Q254-L272 HydrophobicContact CG-CD2 3.81Å; Q254-C276 HydrophobicContact CB-CB 4.34Å
255C93.9Very high92.3Very high65 Ų6562.5 Ų62.544%0.43937%0.365SS..THydrogen-bonded Turntrans-115.50.2-17368.50000114C252 V257 C276C252-C255 VanDerWaalsContact CB-SG 3.57Å; C255-V257 PolarHBondContact O-N 3.06Å; C255-V257 WeakPolarHBondContact SG-CG1 3.38Å; C255-C276 VanDerWaalsContact SG-SG 3.67Å
256S93.6Very high92.2Very high90 Ų9065.4 Ų65.463%0.62938%0.383SS*.  trans60.210179.5-58.20000115.7T251 C252T251-S256 WeakPolarHBondContact CB-O 3.35Å; T251-S256 WeakPolarHBondContact CG2-O 3.26Å; C252-S256 WeakPolarHBondContact O-CA 3.44Å; C252-S256 PolarHBondContact O-N 3.35Å
257V94.4Very high92Very high47 Ų4767.4 Ų67.429%0.28539%0.393SS..  trans-66.2140.6176.7770000110.7T251 C252 C255 L259 R262 C273T251-V257 CarbonylContact C-O 3.58Å; T251-V257 WeakPolarHBondContact CA-O 3.41Å; T251-V257 WeakPolarHBondContact CB-O 3.44Å; C252-V257 HydrophobicContact CB-CG1 3.88Å; C252-V257 PolarHBondContact N-O 3.3Å; C255-V257 PolarHBondContact O-N 3.06Å; C255-V257 WeakPolarHBondContact SG-CG1 3.38Å; V257-L259 HydrophobicContact CG1-CD2 4.37Å; V257-L259 PolarHBondContact O-N 3.46Å; V257-R262 VanDerWaalsContact CG2-NH1 3.35Å; V257-C273 HydrophobicContact CG1-CB 4Å
258S94.1Very high91.6Very high52 Ų5276.6 Ų76.636%0.36442%0.422SS..BIsolated β-bridgetrans-62131.7173.9-174.80000111.2V260 R262S258-V260 PolarHBondContact OG-N 3.21Å; S258-R262 WeakPolarHBondContact O-CD 3.31Å
259L94.1Very high91.3Very high0 Ų073.7 Ų73.70%041%0.412CS..  trans-98.20.9177.4-61.4176.4000112.2F250 C252 V257 G261 R262 F264 I271 C273F250-L259 HydrophobicContact CD1-CB 3.58Å; F250-L259 HydrophobicContact CE1-CB 3.46Å; F250-L259 VanDerWaalsContact CE1-CB 3.46Å; F250-L259 HydrophobicContact CG-CB 4.46Å; F250-L259 HydrophobicContact CZ-CB 4.27Å; F250-L259 PolarHBondContact O-N 2.97Å; C252-L259 HydrophobicContact CB-CD1 4.45Å; C252-L259 HydrophobicContact CB-CD2 4.2Å; C252-L259 HydrophobicContact CB-CG 4.44Å; V257-L259 HydrophobicContact CG1-CD2 4.37Å; V257-L259 PolarHBondContact O-N 3.46Å; L259-G261 PolarHBondContact O-N 2.88Å; L259-R262 PolarHBondContact O-N 3.28Å; L259-F264 HydrophobicContact CB-CB 4.47Å; L259-F264 HydrophobicContact CD1-CB 3.94Å; L259-F264 HydrophobicContact CD2-CB 4.26Å; L259-F264 HydrophobicContact CG-CB 4.46Å; L259-I271 HydrophobicContact CD1-CB 4.11Å; L259-I271 HydrophobicContact CD1-CD1 3.92Å; L259-I271 HydrophobicContact CD1-CG1 3.92Å; L259-C273 HydrophobicContact CD2-CB 3.58Å
260V92Very high91.1Very high64 Ų6475.3 Ų75.339%0.38842%0.419SS..THydrogen-bonded Turntrans-62.6122.3-179.2179.20000109.9I238 S247 F250 S258 R262I238-V260 HydrophobicContact CD1-CG1 4.37Å; I238-V260 HydrophobicContact CD1-CG2 4.38Å; I238-V260 HydrophobicContact CG1-CG2 4.26Å; S247-V260 WeakPolarHBondContact O-CG2 3.32Å; F250-V260 HydrophobicContact CB-CG2 4.21Å; F250-V260 HydrophobicContact CD1-CG2 4.13Å; S258-V260 PolarHBondContact OG-N 3.21Å; V260-R262 PolarHBondContact O-N 2.89Å
261G89.3Confident91Very high88 Ų8875.6 Ų75.691%0.90742%0.42SS*.THydrogen-bonded Turntrans70.710.3-178.300000114.6L259L259-G261 PolarHBondContact O-N 2.88Å
262R90.9Very high91Very high155 Ų15573.9 Ų73.959%0.58541%0.41SS*.SBendtrans-113.1155.5177.1-60-174.1-177.2-173.4-1110.5V257 S258 L259 V260V257-R262 VanDerWaalsContact CG2-NH1 3.35Å; S258-R262 WeakPolarHBondContact O-CD 3.31Å; L259-R262 PolarHBondContact O-N 3.28Å; V260-R262 PolarHBondContact O-N 2.89Å
263G90.5Very high91Very high52 Ų5274.3 Ų74.354%0.53641%0.412SS..  trans-64.7140.616700000110.5
264F93.7Very high91Very high55 Ų5570.8 Ų70.824%0.24140%0.398CS..EExtended strand (participates in β ladder)trans-139.8162177.666.1-85.2000110.3F240 F250 L259 T266 I271 L272F240-F264 HydrophobicContact CB-CZ 4.23Å; F240-F264 AromaticContact CD1-CE2 3.96Å; F240-F264 HydrophobicContact CD1-CE2 3.96Å; F240-F264 HydrophobicContact CD1-CZ 4.04Å; F240-F264 HydrophobicContact CD2-CE2 4.31Å; F240-F264 AromaticContact CD2-CZ 3.6Å; F240-F264 HydrophobicContact CD2-CZ 3.6Å; F240-F264 HydrophobicContact CE1-CE2 4.09Å; F240-F264 HydrophobicContact CE1-CZ 4.32Å; F240-F264 HydrophobicContact CE2-CE2 4.39Å; F240-F264 AromaticContact CE2-CZ 3.89Å; F240-F264 HydrophobicContact CE2-CZ 3.89Å; F240-F264 HydrophobicContact CG-CE2 4.08Å; F240-F264 AromaticContact CG-CZ 3.66Å; F240-F264 HydrophobicContact CG-CZ 3.66Å; F240-F264 HydrophobicContact CZ-CE2 4.29Å; F240-F264 HydrophobicContact CZ-CZ 4.24Å; F250-F264 HydrophobicContact CE1-CD1 4.15Å; F250-F264 HydrophobicContact CE1-CE1 4.26Å; F250-F264 AromaticContact CZ-CD1 3.85Å; F250-F264 HydrophobicContact CZ-CD1 3.85Å; F250-F264 HydrophobicContact CZ-CD2 4.34Å; F250-F264 AromaticContact CZ-CE1 3.72Å; F250-F264 HydrophobicContact CZ-CE1 3.72Å; F250-F264 HydrophobicContact CZ-CE2 4.22Å; F250-F264 HydrophobicContact CZ-CG 4.17Å; F250-F264 AromaticContact CZ-CZ 3.91Å; F250-F264 HydrophobicContact CZ-CZ 3.91Å; L259-F264 HydrophobicContact CB-CB 4.47Å; L259-F264 HydrophobicContact CD1-CB 3.94Å; L259-F264 HydrophobicContact CD2-CB 4.26Å; L259-F264 HydrophobicContact CG-CB 4.46Å; F264-T266 HydrophobicContact CD2-CG2 4.16Å; F264-T266 HydrophobicContact CE2-CG2 3.81Å; F264-I271 HydrophobicContact CD2-CG2 4.43Å; F264-L272 CarbonylContact C-O 3.56Å; F264-L272 VanDerWaalsContact CA-O 3.32Å; F264-L272 WeakPolarHBondContact CA-O 3.5Å; F264-L272 WeakPolarHBondContact CB-O 3.29Å
265L91.6Very high91Very high78 Ų7870.8 Ų70.841%0.40840%0.401SS..EExtended strand (participates in β ladder)trans-118.1140.4177.4-63.8170.1000109.1L272L265-L272 PolarHBondContact N-O 2.95Å; L265-L272 PolarHBondContact O-N 3.38Å
266T90.1Very high91Very high68 Ų6868.4 Ų68.442%0.41739%0.385SS..EExtended strand (participates in β ladder)trans-102122.6175.652.60000110.2F240 F264 I271F240-T266 HydrophobicContact CD1-CG2 4.16Å; F240-T266 HydrophobicContact CE1-CG2 3.57Å; F240-T266 HydrophobicContact CZ-CG2 4.35Å; F264-T266 HydrophobicContact CD2-CG2 4.16Å; F264-T266 HydrophobicContact CE2-CG2 3.81Å; T266-I271 HydrophobicContact CG2-CG2 4.34Å
267Q85.5Confident90.7Very high85 Ų8565.1 Ų65.140%0.39737%0.365SS..EExtended strand (participates in β ladder)trans-124.1102.1175-173.3171.256.600108.8D269 D270 L272Q267-D269 PolarHBondContact O-N 3.45Å; Q267-D269 VanDerWaalsContact O-N 3.15Å; Q267-D270 PolarHBondContact N-O 3.46Å; Q267-D270 PolarHBondContact O-N 2.97Å; Q267-L272 HydrophobicContact CB-CD1 4.4Å
268R82.6Confident90.2Very high228 Ų22872.1 Ų72.186%0.8639%0.387SS*.THydrogen-bonded Turntrans55.7-111.6-172.5-56.4177.6179.8172.8-0.8111.9R243R243-R268 PolarHBondContact NH1-O 2.86Å; R243-R268 PolarHBondContact NH2-O 2.81Å
269D82.8Confident89Confident116 Ų11677.6 Ų77.662%0.6241%0.406SS*.THydrogen-bonded Turntrans-91.5-11.1179.3-68-44.9000113.6R243 Q267R243-D269 IonicContact CZ-OD1 2.97Å; R243-D269 PolarHBondContact NH1-O 3.02Å; R243-D269 VanDerWaalsContact NH1-O 3.12Å; R243-D269 IonicContact NH2-OD1 2.96Å; R243-D269 PolarHBondContact NH2-OD1 3.14Å; Q267-D269 PolarHBondContact O-N 3.45Å; Q267-D269 VanDerWaalsContact O-N 3.15Å
270D88Confident87.2Confident65 Ų6586.3 Ų86.335%0.34844%0.444SS..EExtended strand (participates in β ladder)trans-97.4149.6-174.3-61.1-37.3000112.6M253 Q267M253-D270 HydrophobicContact CB-CB 4.24Å; M253-D270 HydrophobicContact CG-CB 4.28Å; Q267-D270 PolarHBondContact N-O 3.46Å; Q267-D270 PolarHBondContact O-N 2.97Å
271I92.4Very high86.9Confident9 Ų987.4 Ų87.45%0.04645%0.447CS..EExtended strand (participates in β ladder)trans-112.5131.4170.860.2177.9000109.3W245 F250 T251 M253 L259 F264 T266W245-I271 HydrophobicContact CH2-CG2 4.35Å; W245-I271 HydrophobicContact CZ2-CD1 4.21Å; W245-I271 HydrophobicContact CZ2-CG2 4.05Å; F250-I271 HydrophobicContact CD2-CD1 3.55Å; F250-I271 HydrophobicContact CE2-CD1 3.53Å; F250-I271 HydrophobicContact CG-CD1 4.35Å; F250-I271 HydrophobicContact CZ-CD1 4.32Å; T251-I271 WeakPolarHBondContact O-CG1 3.12Å; M253-I271 PolarHBondContact N-O 3.24Å; L259-I271 HydrophobicContact CD1-CB 4.11Å; L259-I271 HydrophobicContact CD1-CD1 3.92Å; L259-I271 HydrophobicContact CD1-CG1 3.92Å; F264-I271 HydrophobicContact CD2-CG2 4.43Å; T266-I271 HydrophobicContact CG2-CG2 4.34Å
272L93.3Very high86.8Confident7 Ų787.4 Ų87.44%0.03742%0.423CS..EExtended strand (participates in β ladder)trans-124.6147.3-176.4-62.2173.3000110.3M253 Q254 F264 L265 Q267 C276M253-L272 HydrophobicContact CB-CD2 4.03Å; Q254-L272 HydrophobicContact CB-CD2 4.29Å; Q254-L272 HydrophobicContact CG-CD2 3.81Å; F264-L272 CarbonylContact C-O 3.56Å; F264-L272 VanDerWaalsContact CA-O 3.32Å; F264-L272 WeakPolarHBondContact CA-O 3.5Å; F264-L272 WeakPolarHBondContact CB-O 3.29Å; L265-L272 PolarHBondContact N-O 2.95Å; L265-L272 PolarHBondContact O-N 3.38Å; Q267-L272 HydrophobicContact CB-CD1 4.4Å; L272-C276 HydrophobicContact CB-CB 4.48Å
273C94.4Very high86.6Confident10 Ų1083.6 Ų83.67%0.06841%0.414CS..EExtended strand (participates in β ladder)trans-67.7161.816569.60000109.9C252 V257 L259 D275 C276 G277C252-C273 HydrophobicContact CB-CB 4.17Å; C252-C273 PolarHBondContact SG-N 3.06Å; V257-C273 HydrophobicContact CG1-CB 4Å; L259-C273 HydrophobicContact CD2-CB 3.58Å; C273-D275 PolarHBondContact O-N 3.22Å; C273-C276 PolarHBondContact O-N 2.86Å; C273-C276 VanDerWaalsContact SG-CB 3.56Å; C273-C276 PolarHBondContact SG-N 3.12Å; C273-C276 VanDerWaalsContact SG-N 3.42Å; C273-C276 PolarHBondContact SG-SG 2.94Å; C273-G277 PolarHBondContact O-N 3.17Å
274T92.6Very high86.3Confident47 Ų4785.5 Ų85.529%0.28841%0.407SS..Hα-helixtrans-59.1-29.6179.648.50000113.5R278T274-R278 WeakPolarHBondContact O-CB 3.45Å; T274-R278 VanDerWaalsContact O-CD 3.29Å; T274-R278 WeakPolarHBondContact O-CD 3.1Å; T274-R278 WeakPolarHBondContact O-CG 3.42Å; T274-R278 PolarHBondContact O-N 3.01Å
275D92.2Very high85.9Confident105 Ų10587.4 Ų87.456%0.56142%0.417SS*.Hα-helixtrans-74.5-55.1-178.8-52.5-33.4000110.1C273 G277 R278 E279C273-D275 PolarHBondContact O-N 3.22Å; D275-G277 VanDerWaalsContact C-N 3.25Å; D275-G277 PolarHBondContact O-N 2.68Å; D275-R278 PolarHBondContact O-N 3.29Å; D275-E279 PolarHBondContact O-N 2.99Å
276C92.6Very high85.5Confident16 Ų1688 Ų8811%0.10842%0.418CS..Hα-helixtrans-57.3-35.4175.5-74.40000113.4Q254 C255 L272 C273Q254-C276 HydrophobicContact CB-CB 4.34Å; C255-C276 VanDerWaalsContact SG-SG 3.67Å; L272-C276 HydrophobicContact CB-CB 4.48Å; C273-C276 PolarHBondContact O-N 2.86Å; C273-C276 VanDerWaalsContact SG-CB 3.56Å; C273-C276 PolarHBondContact SG-N 3.12Å; C273-C276 VanDerWaalsContact SG-N 3.42Å; C273-C276 PolarHBondContact SG-SG 2.94Å
277G87Confident85.2Confident20 Ų2089.4 Ų89.421%0.20642%0.418CS..Hα-helixtrans-80.2-13.1178.900000114.9C273 D275C273-G277 PolarHBondContact O-N 3.17Å; D275-G277 VanDerWaalsContact C-N 3.25Å; D275-G277 PolarHBondContact O-N 2.68Å
278R84.3Confident85.1Confident194 Ų19489.8 Ų89.873%0.73242%0.419SS*.Hα-helixtrans-90.5-17.3174.4-77.1171-173.4-172.73.1113.2T274 D275 K280T274-R278 WeakPolarHBondContact O-CB 3.45Å; T274-R278 VanDerWaalsContact O-CD 3.29Å; T274-R278 WeakPolarHBondContact O-CD 3.1Å; T274-R278 WeakPolarHBondContact O-CG 3.42Å; T274-R278 PolarHBondContact O-N 3.01Å; D275-R278 PolarHBondContact O-N 3.29Å; R278-K280 PolarHBondContact O-N 3.15Å
279E68.2Low85.3Confident167 Ų16778.3 Ų78.378%0.7838%0.383SS*.  trans-81.115.6176.9-69-177.116400113.3D275D275-E279 PolarHBondContact O-N 2.99Å
280K56.3Low85.6Confident183 Ų18374.8 Ų74.880%0.79636%0.361SS*.  trans-128.60175.8-82.8-171.6-177.1177.10112.4R278R278-K280 PolarHBondContact O-N 3.15Å

Retrieved 280 of 280 residues in 1575.8 ms (Link to these results)

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