A0A087Y0E4_POEFO Loading...

Ribonuclease P/MRP 40 subunit

AlphaFold DB , UniProt , Accession A0A087Y0E4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 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
1I37.1Very low41Very low220 Ų220151 Ų151100%1.12880%0.796SS**  0101.40-62.5167.1000106.6M3I1-M3 PolarHBondContact O-N 3.35Å
2K30.3Very low42.7Very low214 Ų214153.2 Ų153.293%0.9379%0.786SS**  trans-77.1109.3175.5-89.5-179.4173.7178.30107.1C4K2-C4 PolarHBondContact O-N 3.22Å
3M27.6Very low44.7Very low181 Ų181150.7 Ų150.789%0.89278%0.775SS**  trans-59.8131.2167.6-93.4179.2167.700108.8I1 A5I1-M3 PolarHBondContact O-N 3.35Å; M3-A5 PolarHBondContact O-N 3.44Å
4C35.2Very low46.9Very low89 Ų89145.5 Ų145.560%0.60175%0.749SS**  trans-60.7113.7176.4-144.80000108.7K2 D6K2-C4 PolarHBondContact O-N 3.22Å; C4-D6 PolarHBondContact O-N 3.22Å
5A42.1Very low49.3Very low85 Ų85138.3 Ų138.370%0.70271%0.712SS**G310 helixtrans-74.43.3178.200000113.2M3M3-A5 PolarHBondContact O-N 3.44Å
6D40.6Very low51.5Low143 Ų143131.9 Ų131.977%0.76568%0.681SS**G310 helixtrans-86.6-3.5-175.9-69.1-37.4000114.1C4 S8C4-D6 PolarHBondContact O-N 3.22Å; D6-S8 VanDerWaalsContact C-N 3.32Å; D6-S8 PolarHBondContact O-N 2.93Å
7L39.5Very low53.7Low165 Ų165126.9 Ų126.986%0.86466%0.66SS**G310 helixtrans-82.60.5178.9-79.9160.4000114.6
8S39.6Very low55.7Low104 Ų104122.3 Ų122.373%0.72764%0.635SS**G310 helixtrans-105.38.5-170.3710000115.8D6D6-S8 VanDerWaalsContact C-N 3.32Å; D6-S8 PolarHBondContact O-N 2.93Å
9R51.1Low57.6Low207 Ų207124.2 Ų124.278%0.78163%0.633SS**  trans-107.296.3-179.3-134.7175.5170.9-167.9-6.2110.2Q11R9-Q11 PolarHBondContact O-N 2.97Å
10T50.3Low59.4Low128 Ų128119.5 Ų119.579%0.78561%0.612SS**  trans-59134.2171.845.30000109.8R12T10-R12 PolarHBondContact O-N 3.5Å
11Q57.3Low61Low125 Ų125115.1 Ų115.158%0.58459%0.591SS**  trans-57.8131.4168.7-83.5178.6-29.200108.6R9 N13R9-Q11 PolarHBondContact O-N 2.97Å; Q11-N13 PolarHBondContact O-N 3.38Å
12R62.2Low63.6Low177 Ų177105.7 Ų105.767%0.66854%0.542SS*.  trans-82.893.5-178.1-72.8-176.7174.5176.4-4.1109.9T10 A346T10-R12 PolarHBondContact O-N 3.5Å; R12-A346 VanDerWaalsContact O-CA 3.26Å; R12-A346 WeakPolarHBondContact O-CA 3.39Å
13N68.4Low66.6Low121 Ų121101.2 Ų101.265%0.64753%0.528SS*.  trans-89.3134.6169.1-60.9-24.5000108.7Q11Q11-N13 PolarHBondContact O-N 3.38Å
14L74.9Confident69.7Low78 Ų7896.1 Ų96.141%0.40850%0.504SS..EExtended strand (participates in β ladder)trans-115.9123.2175.1176.774.1000108.1V16 T344 C350L14-V16 HydrophobicContact CD2-CG2 4.34Å; L14-V16 HydrophobicContact CG-CG2 4.26Å; L14-T344 HydrophobicContact CB-CG2 3.83Å; L14-T344 HydrophobicContact CD2-CG2 4.31Å; L14-T344 HydrophobicContact CG-CG2 4.49Å; L14-T344 PolarHBondContact N-O 3.25Å; L14-T344 PolarHBondContact O-N 3.48Å; L14-T344 VanDerWaalsContact O-N 3.07Å; L14-C350 HydrophobicContact CD2-CB 3.68Å
15L83.1Confident72.2Confident38 Ų38101.4 Ų101.420%0.19952%0.52CS..EExtended strand (participates in β ladder)trans-113.5118.7171.6177.661.4000108P226 L230 H341 L342 A343L15-P226 HydrophobicContact CD2-CB 3.89Å; L15-L230 HydrophobicContact CD1-CD1 3.46Å; L15-L230 VanDerWaalsContact CD1-CD1 3.46Å; L15-L230 HydrophobicContact CD2-CD1 3.86Å; L15-L230 HydrophobicContact CG-CD1 4.33Å; L15-H341 HydrophobicContact CD1-CB 4.13Å; L15-L342 WeakPolarHBondContact CA-O 3.27Å; L15-A343 HydrophobicContact CD1-CB 4.11Å
16V85.6Confident74.5Confident36 Ų36105.1 Ų105.122%0.21852%0.52CS..EExtended strand (participates in β ladder)trans-100.8128.2170.6-178.90000107.6L14 E18 H341 L342 C350L14-V16 HydrophobicContact CD2-CG2 4.34Å; L14-V16 HydrophobicContact CG-CG2 4.26Å; V16-E18 HydrophobicContact CG1-CG 4.31Å; V16-H341 CarbonylContact O-C 3.55Å; V16-H341 WeakPolarHBondContact O-CA 3.33Å; V16-L342 HydrophobicContact CB-CB 4.24Å; V16-L342 PolarHBondContact N-O 3.43Å; V16-L342 PolarHBondContact O-N 3.31Å; V16-C350 HydrophobicContact CG2-CB 3.58Å
17C87.8Confident76.8Confident47 Ų47100.4 Ų100.432%0.31850%0.495SS..EExtended strand (participates in β ladder)trans-118.5122.7176.4-179.50000109.3P226 L340 H341C17-P226 HydrophobicContact CB-CB 4.15Å; C17-P226 HydrophobicContact CB-CG 3.91Å; C17-L340 WeakPolarHBondContact CA-O 2.88Å; C17-H341 VanDerWaalsContact SG-CD2 3.58Å
18E89.6Confident79.1Confident44 Ų4499.8 Ų99.821%0.20648%0.482CS..EExtended strand (participates in β ladder)trans-120.3148.7177-72.4176.3-150.400110.8V16 Q32 R339 L340V16-E18 HydrophobicContact CG1-CG 4.31Å; E18-Q32 VanDerWaalsContact CD-NE2 3.28Å; E18-Q32 PolarHBondContact OE1-NE2 3.37Å; E18-Q32 VanDerWaalsContact OE1-NE2 3.16Å; E18-Q32 PolarHBondContact OE2-NE2 3.44Å; E18-R339 CarbonylContact O-C 3.54Å; E18-R339 VanDerWaalsContact O-CA 3.3Å; E18-R339 WeakPolarHBondContact O-CA 3.07Å; E18-L340 HydrophobicContact CB-CB 4.42Å; E18-L340 PolarHBondContact N-O 2.67Å; E18-L340 PolarHBondContact O-N 3.05Å
19R92Very high81.5Confident158 Ų15895 Ų9560%0.59645%0.448SS*.EExtended strand (participates in β ladder)trans-128.6125.8176.2-57.9-176.6178.4159.8-0.7107.5R339R19-R339 HydrophobicContact CG-CG 4.23Å
20S94.1Very high83.2Confident30 Ų3087.7 Ų87.721%0.2143%0.429CS..EExtended strand (participates in β ladder)trans-154.7-171.5178.9-175.50000109.7T337 Y338S20-T337 WeakPolarHBondContact O-CA 3.26Å; S20-Y338 WeakPolarHBondContact CB-OH 3.49Å; S20-Y338 PolarHBondContact N-O 2.85Å; S20-Y338 PolarHBondContact O-N 3.05Å
21S93.4Very high84.9Confident27 Ų2784.2 Ų84.219%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-128.1144.3177.7176.20000109.9L23 D24 H336S21-L23 PolarHBondContact O-N 3.27Å; S21-L23 VanDerWaalsContact O-N 3.16Å; S21-L23 PolarHBondContact OG-N 2.74Å; S21-D24 WeakPolarHBondContact O-CB 3.42Å; S21-D24 PolarHBondContact O-N 2.87Å; S21-D24 VanDerWaalsContact O-N 3.11Å; S21-H336 CarbonylContact C-O 3.55Å; S21-H336 VanDerWaalsContact CA-O 3.26Å; S21-H336 WeakPolarHBondContact CA-O 3.49Å; S21-H336 PolarHBondContact OG-O 3.26Å
22F92Very high86.2Confident22 Ų2278.4 Ų78.410%0.09638%0.382CS..THydrogen-bonded Turntrans-62.5-17.5172-67.4-74.3000113.1V29 V283 R287 L330 M332 H336 Y338F22-V29 HydrophobicContact CD1-CG1 4.17Å; F22-V29 HydrophobicContact CE1-CG1 3.9Å; F22-V283 HydrophobicContact CE1-CG1 4.24Å; F22-V283 HydrophobicContact CZ-CG1 4.35Å; F22-R287 HydrophobicContact CD2-CG 4.3Å; F22-L330 HydrophobicContact CZ-CD2 4.33Å; F22-M332 HydrophobicContact CE2-CB 4.4Å; F22-M332 HydrophobicContact CE2-CG 4Å; F22-M332 HydrophobicContact CE2-SD 4.15Å; F22-M332 HydrophobicContact CZ-CG 3.9Å; F22-M332 HydrophobicContact CZ-SD 3.74Å; F22-H336 HydrophobicContact CB-CB 4.4Å; F22-H336 VanDerWaalsContact CD2-O 3.22Å; F22-H336 WeakPolarHBondContact CD2-O 3.22Å; F22-H336 PolarHBondContact N-O 2.86Å; F22-Y338 HydrophobicContact CD1-CD1 4.16Å; F22-Y338 HydrophobicContact CD1-CE1 4.31Å; F22-Y338 AromaticContact CD2-CD1 3.93Å; F22-Y338 HydrophobicContact CD2-CD1 3.93Å; F22-Y338 HydrophobicContact CE1-CD1 4.07Å; F22-Y338 HydrophobicContact CE1-CE1 4.42Å; F22-Y338 AromaticContact CE2-CD1 3.83Å; F22-Y338 HydrophobicContact CE2-CD1 3.83Å; F22-Y338 HydrophobicContact CE2-CG 4.26Å; F22-Y338 HydrophobicContact CG-CD1 4.09Å; F22-Y338 HydrophobicContact CG-CE1 4.47Å; F22-Y338 AromaticContact CZ-CD1 3.89Å; F22-Y338 HydrophobicContact CZ-CD1 3.89Å; F22-Y338 HydrophobicContact CZ-CG 4.23Å
23L92.3Very high87.3Confident121 Ų12170.2 Ų70.263%0.63435%0.352SS*.THydrogen-bonded Turntrans-93-6.3178.1-56.7-179.6000113.3S21 H336S21-L23 PolarHBondContact O-N 3.27Å; S21-L23 VanDerWaalsContact O-N 3.16Å; S21-L23 PolarHBondContact OG-N 2.74Å; L23-H336 HydrophobicContact CD1-CB 3.99Å; L23-H336 HydrophobicContact CG-CB 3.79Å
24D92Very high88Confident74 Ų7468.8 Ų68.840%0.39634%0.341SS..  trans-71.3131.3177-170.9-15.8000110S21 K26 N27S21-D24 WeakPolarHBondContact O-CB 3.42Å; S21-D24 PolarHBondContact O-N 2.87Å; S21-D24 VanDerWaalsContact O-N 3.11Å; D24-K26 PolarHBondContact O-N 3Å; D24-K26 PolarHBondContact OD1-N 3Å; D24-N27 HydrophobicContact CB-CB 4.41Å; D24-N27 WeakPolarHBondContact O-CB 3.29Å; D24-N27 PolarHBondContact O-N 3.44Å
25E89Confident88.3Confident199 Ų19967.2 Ų67.293%0.9333%0.332SS*.THydrogen-bonded Turntrans-60.4-26.3175.6-64.3-176169.900112.5N27E25-N27 VanDerWaalsContact C-N 3.33Å
26K90Very high88.5Confident163 Ų16365.7 Ų65.771%0.70932%0.324SS*.THydrogen-bonded Turntrans-90.56.6177.7-63.4179.5-176.21730113.1D24 R28D24-K26 PolarHBondContact O-N 3Å; D24-K26 PolarHBondContact OD1-N 3Å; K26-R28 WeakPolarHBondContact O-CG 3.31Å; K26-R28 PolarHBondContact O-N 3.04Å
27N88.3Confident88.4Confident44 Ų4465.4 Ų65.424%0.23532%0.319CS..  trans-57.8127.6179178.124.7000111.3D24 E25 V29 Y338D24-N27 HydrophobicContact CB-CB 4.41Å; D24-N27 WeakPolarHBondContact O-CB 3.29Å; D24-N27 PolarHBondContact O-N 3.44Å; E25-N27 VanDerWaalsContact C-N 3.33Å; N27-V29 WeakPolarHBondContact OD1-CG1 3.33Å; N27-V29 PolarHBondContact OD1-N 2.84Å; N27-V29 VanDerWaalsContact OD1-N 3.14Å; N27-Y338 WeakPolarHBondContact OD1-CE1 3.43Å; N27-Y338 PolarHBondContact OD1-OH 3.23Å
28R88.9Confident88.5Confident153 Ų15363.5 Ų63.558%0.57731%0.305SS*.  trans-121.67.2-177.1-73.4171.1-170.7-1680.7113.7K26 S30 S31 Q32K26-R28 WeakPolarHBondContact O-CG 3.31Å; K26-R28 PolarHBondContact O-N 3.04Å; R28-S30 VanDerWaalsContact C-N 3.27Å; R28-S30 PolarHBondContact O-N 3.5Å; R28-S30 VanDerWaalsContact O-N 3.13Å; R28-S31 WeakPolarHBondContact O-CA 3.27Å; R28-S31 PolarHBondContact O-N 2.91Å; R28-S31 PolarHBondContact O-OG 3.47Å; R28-Q32 HydrophobicContact CB-CG 4.3Å; R28-Q32 PolarHBondContact O-N 3.49Å
29V88.4Confident88.7Confident3 Ų361.4 Ų61.42%0.01830%0.295CS..Hα-helixtrans-51.9-43.7-172.569.40000112.9F22 N27 S31 Q32 M33 L330 Y338F22-V29 HydrophobicContact CD1-CG1 4.17Å; F22-V29 HydrophobicContact CE1-CG1 3.9Å; N27-V29 WeakPolarHBondContact OD1-CG1 3.33Å; N27-V29 PolarHBondContact OD1-N 2.84Å; N27-V29 VanDerWaalsContact OD1-N 3.14Å; V29-S31 PolarHBondContact O-N 3.43Å; V29-Q32 PolarHBondContact O-N 3.08Å; V29-M33 HydrophobicContact CG2-CG 4.4Å; V29-M33 HydrophobicContact CG2-SD 4.01Å; V29-M33 WeakPolarHBondContact O-CB 3.28Å; V29-M33 VanDerWaalsContact O-CG 3.24Å; V29-M33 WeakPolarHBondContact O-CG 3.2Å; V29-M33 PolarHBondContact O-N 2.93Å; V29-L330 HydrophobicContact CG2-CD1 3.85Å; V29-L330 HydrophobicContact CG2-CD2 4.16Å; V29-Y338 HydrophobicContact CB-CE1 4.32Å; V29-Y338 HydrophobicContact CB-CE2 4.25Å; V29-Y338 HydrophobicContact CG2-CE2 4.22Å
30S87.1Confident88.8Confident54 Ų5459 Ų5938%0.37829%0.287SS..Hα-helixtrans-63.5-43.4179.1-51.10000112R28 Q32 M33 E34 Q280R28-S30 VanDerWaalsContact C-N 3.27Å; R28-S30 PolarHBondContact O-N 3.5Å; R28-S30 VanDerWaalsContact O-N 3.13Å; S30-Q32 VanDerWaalsContact C-N 3.34Å; S30-M33 PolarHBondContact O-N 2.89Å; S30-E34 WeakPolarHBondContact O-CG 3.27Å; S30-E34 PolarHBondContact O-N 3.43Å; S30-Q280 PolarHBondContact O-NE2 2.92Å
31S85.9Confident88.9Confident55 Ų5559.5 Ų59.539%0.38529%0.285SS..Hα-helixtrans-69.1-32.2177.269.10000112.6R28 V29 Q35R28-S31 WeakPolarHBondContact O-CA 3.27Å; R28-S31 PolarHBondContact O-N 2.91Å; R28-S31 PolarHBondContact O-OG 3.47Å; V29-S31 PolarHBondContact O-N 3.43Å; S31-Q35 WeakPolarHBondContact O-CG 3.41Å; S31-Q35 PolarHBondContact O-N 2.83Å
32Q85.6Confident89Confident3 Ų358.2 Ų58.21%0.01428%0.276CS..Hα-helixtrans-71.8-43.3175.7-71.1169.3-54.400110.7E18 R28 V29 S30 E34 Q35 W313 L340E18-Q32 VanDerWaalsContact CD-NE2 3.28Å; E18-Q32 PolarHBondContact OE1-NE2 3.37Å; E18-Q32 VanDerWaalsContact OE1-NE2 3.16Å; E18-Q32 PolarHBondContact OE2-NE2 3.44Å; R28-Q32 HydrophobicContact CB-CG 4.3Å; R28-Q32 PolarHBondContact O-N 3.49Å; V29-Q32 PolarHBondContact O-N 3.08Å; S30-Q32 VanDerWaalsContact C-N 3.34Å; Q32-E34 VanDerWaalsContact C-N 3.29Å; Q32-E34 PolarHBondContact O-N 2.86Å; Q32-Q35 WeakPolarHBondContact O-CB 3.39Å; Q32-Q35 PolarHBondContact O-N 2.85Å; Q32-Q35 VanDerWaalsContact O-N 3.11Å; Q32-Q35 PolarHBondContact O-OE1 2.77Å; Q32-W313 WeakPolarHBondContact O-CZ3 3.39Å; Q32-L340 HydrophobicContact CB-CD2 3.95Å; Q32-L340 HydrophobicContact CG-CD2 4.4Å
33M84.8Confident89.2Confident5 Ų557.5 Ų57.53%0.02527%0.274CS..Hα-helixtrans-60.5-37.8174.5-71.117062.700112.3V29 S30 Q35 L36 L279 V283 Y328 L330V29-M33 HydrophobicContact CG2-CG 4.4Å; V29-M33 HydrophobicContact CG2-SD 4.01Å; V29-M33 WeakPolarHBondContact O-CB 3.28Å; V29-M33 VanDerWaalsContact O-CG 3.24Å; V29-M33 WeakPolarHBondContact O-CG 3.2Å; V29-M33 PolarHBondContact O-N 2.93Å; S30-M33 PolarHBondContact O-N 2.89Å; M33-Q35 PolarHBondContact O-N 3.09Å; M33-L36 PolarHBondContact O-N 3.04Å; M33-L279 HydrophobicContact CE-CB 4.25Å; M33-V283 HydrophobicContact CE-CB 4.39Å; M33-V283 HydrophobicContact CE-CG2 3.65Å; M33-V283 HydrophobicContact SD-CG2 4.26Å; M33-Y328 HydrophobicContact CE-CE2 4.25Å; M33-Y328 WeakPolarHBondContact CE-OH 3.45Å; M33-Y328 HydrophobicContact CG-CE2 3.87Å; M33-L330 HydrophobicContact SD-CD2 4.38Å
34E83.6Confident89.4Confident90 Ų9051.8 Ų51.842%0.42124%0.244SC..Hα-helixtrans-66.1-20.7176.7-78.2176.6-179.300114.1S30 Q32 L36 P276 Q280S30-E34 WeakPolarHBondContact O-CG 3.27Å; S30-E34 PolarHBondContact O-N 3.43Å; Q32-E34 VanDerWaalsContact C-N 3.29Å; Q32-E34 PolarHBondContact O-N 2.86Å; E34-L36 PolarHBondContact O-N 3.12Å; E34-P276 HydrophobicContact CG-CB 4.32Å; E34-Q280 VanDerWaalsContact CG-NE2 3.3Å; E34-Q280 PolarHBondContact OE1-NE2 3.42Å
35Q82Confident89.4Confident45 Ų4548.7 Ų48.721%0.2123%0.228CC..THydrogen-bonded Turntrans-67.5-23.7177.3-67.1159.3-8.200111.8S31 Q32 M33 R37 W313 G314 P351S31-Q35 WeakPolarHBondContact O-CG 3.41Å; S31-Q35 PolarHBondContact O-N 2.83Å; Q32-Q35 WeakPolarHBondContact O-CB 3.39Å; Q32-Q35 PolarHBondContact O-N 2.85Å; Q32-Q35 VanDerWaalsContact O-N 3.11Å; Q32-Q35 PolarHBondContact O-OE1 2.77Å; M33-Q35 PolarHBondContact O-N 3.09Å; Q35-R37 PolarHBondContact O-N 3.28Å; Q35-W313 HydrophobicContact CB-CE3 3.58Å; Q35-W313 HydrophobicContact CB-CZ3 3.99Å; Q35-G314 PolarHBondContact O-N 3.02Å; Q35-G314 VanDerWaalsContact O-N 3.17Å; Q35-P351 HydrophobicContact CB-CG 4.48Å; Q35-P351 VanDerWaalsContact CD-CG 3.48Å; Q35-P351 HydrophobicContact CG-CG 4.44Å
36L85.4Confident89.4Confident7 Ų739.4 Ų39.44%0.03718%0.184CC..  trans-88.293.1166.8-170.761.2000109.9M33 E34 N39 V303 W313 D326 Y328M33-L36 PolarHBondContact O-N 3.04Å; E34-L36 PolarHBondContact O-N 3.12Å; L36-N39 VanDerWaalsContact CD2-OD1 3.27Å; L36-N39 WeakPolarHBondContact CD2-OD1 3.45Å; L36-N39 VanDerWaalsContact CG-OD1 3.3Å; L36-N39 WeakPolarHBondContact CG-OD1 2.98Å; L36-N39 PolarHBondContact O-ND2 2.88Å; L36-N39 PolarHBondContact O-OD1 3.42Å; L36-V303 HydrophobicContact CD2-CG1 4.24Å; L36-W313 HydrophobicContact CB-CE3 4.06Å; L36-W313 HydrophobicContact CB-CH2 3.66Å; L36-W313 HydrophobicContact CB-CZ2 4.19Å; L36-W313 HydrophobicContact CB-CZ3 3.6Å; L36-W313 HydrophobicContact CD1-CZ2 4.49Å; L36-W313 HydrophobicContact CD2-CH2 4.34Å; L36-W313 HydrophobicContact CD2-CZ2 4.32Å; L36-W313 HydrophobicContact CG-CH2 4.47Å; L36-D326 HydrophobicContact CD1-CB 3.71Å; L36-Y328 HydrophobicContact CB-CD1 4.31Å; L36-Y328 HydrophobicContact CB-CE1 4.19Å; L36-Y328 HydrophobicContact CD2-CD1 3.72Å; L36-Y328 HydrophobicContact CD2-CE1 3.82Å
37R84.2Confident89.2Confident30 Ų3032.1 Ų32.111%0.11315%0.153CC..  trans-76.7-34.8-171.2-54.5-173-159.7-147.57.3113.8Q35 Y93 M110 P111 G314 D315Q35-R37 PolarHBondContact O-N 3.28Å; R37-Y93 WeakPolarHBondContact O-CD1 3.28Å; R37-M110 VanDerWaalsContact NH2-CE 3.34Å; R37-P111 HydrophobicContact CB-CG 4.02Å; R37-P111 HydrophobicContact CG-CG 4.22Å; R37-P111 PolarHBondContact NH1-O 2.79Å; R37-P111 VanDerWaalsContact NH1-O 3.12Å; R37-G314 PolarHBondContact NE-O 3.23Å; R37-G314 PolarHBondContact NH2-O 2.64Å; R37-D315 IonicContact CZ-OD1 3.15Å; R37-D315 IonicContact NH2-OD1 2.61Å; R37-D315 PolarHBondContact NH2-OD1 2.87Å
38F90.3Very high88.4Confident6 Ų635 Ų353%0.02617%0.166CC..  trans-112.397.2-176-64.8-69.4000110G94 L95 A108 L273 G305 F306 S309 V311F38-G94 VanDerWaalsContact CE1-O 3.3Å; F38-G94 WeakPolarHBondContact CE1-O 3.34Å; F38-G94 VanDerWaalsContact CZ-O 3.3Å; F38-G94 WeakPolarHBondContact CZ-O 3.41Å; F38-L95 HydrophobicContact CD1-CB 4.19Å; F38-L95 HydrophobicContact CE1-CB 4.12Å; F38-L95 HydrophobicContact CG-CD2 4.48Å; F38-A108 HydrophobicContact CE2-CB 3.88Å; F38-A108 HydrophobicContact CZ-CB 3.9Å; F38-L273 HydrophobicContact CD1-CD1 4.34Å; F38-G305 WeakPolarHBondContact O-CA 3.42Å; F38-F306 HydrophobicContact CB-CD2 3.89Å; F38-F306 PolarHBondContact O-N 2.74Å; F38-S309 WeakPolarHBondContact CD2-OG 3.37Å; F38-V311 HydrophobicContact CE2-CB 4.42Å
39N93.4Very high87.4Confident0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-100.8128-177.3-54.4-76.3000109.9L36 L274 L279 V303 F306L36-N39 VanDerWaalsContact CD2-OD1 3.27Å; L36-N39 WeakPolarHBondContact CD2-OD1 3.45Å; L36-N39 VanDerWaalsContact CG-OD1 3.3Å; L36-N39 WeakPolarHBondContact CG-OD1 2.98Å; L36-N39 PolarHBondContact O-ND2 2.88Å; L36-N39 PolarHBondContact O-OD1 3.42Å; N39-L274 HydrophobicContact CB-CB 3.97Å; N39-L274 WeakPolarHBondContact CB-O 3.4Å; N39-L274 PolarHBondContact ND2-O 2.86Å; N39-L274 PolarHBondContact O-N 3.45Å; N39-L279 HydrophobicContact CB-CD1 3.82Å; N39-V303 HydrophobicContact CB-CG1 3.9Å; N39-V303 VanDerWaalsContact OD1-CG1 3.27Å; N39-V303 WeakPolarHBondContact OD1-CG1 3.37Å; N39-F306 WeakPolarHBondContact O-CE2 3.45Å
40Y94.6Very high85.9Confident108 Ų10835.8 Ų35.842%0.42418%0.178SC..EExtended strand (participates in β ladder)trans-99.6-47.5-177.5171.2-114.3000112.8C271 G272 H304 F306Y40-C271 CarbonylContact O-C 3.59Å; Y40-C271 WeakPolarHBondContact O-CA 3.3Å; Y40-G272 CarbonylContact C-O 3.53Å; Y40-G272 VanDerWaalsContact CA-O 3.28Å; Y40-G272 WeakPolarHBondContact CA-O 3.37Å; Y40-G272 PolarHBondContact O-N 2.8Å; Y40-H304 PolarHBondContact N-O 2.7Å; Y40-F306 HydrophobicContact CD2-CD1 4.31Å; Y40-F306 AromaticContact CD2-CE1 3.78Å; Y40-F306 HydrophobicContact CD2-CE1 3.78Å; Y40-F306 AromaticContact CD2-CZ 3.9Å; Y40-F306 HydrophobicContact CD2-CZ 3.9Å; Y40-F306 HydrophobicContact CG-CE1 4.41Å; Y40-F306 HydrophobicContact CG-CZ 4.49Å
41K95.6Very high84.4Confident41 Ų4137.6 Ų37.618%0.17819%0.191CC..EExtended strand (participates in β ladder)trans-135.2135.5-175.7178.3-178-176.7-160.30109.8S43 D237 A270 V303 H304K41-S43 WeakPolarHBondContact CE-OG 2.93Å; K41-S43 PolarHBondContact NZ-OG 3.46Å; K41-D237 IonicContact NZ-OD1 3.41Å; K41-D237 PolarHBondContact NZ-OD1 3.27Å; K41-D237 IonicContact NZ-OD2 2.78Å; K41-D237 PolarHBondContact NZ-OD2 3.47Å; K41-A270 WeakPolarHBondContact CA-O 3.42Å; K41-V303 CarbonylContact O-C 3.57Å; K41-V303 VanDerWaalsContact O-CA 3.32Å; K41-V303 WeakPolarHBondContact O-CA 3Å; K41-H304 HydrophobicContact CB-CB 4.31Å; K41-H304 PolarHBondContact N-O 2.85Å; K41-H304 PolarHBondContact O-N 3.26Å
42V96.9Very high82.9Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-113.9135.9162.161.40000109.1V44 L60 F63 S269 A270 L274 L279 L282 V301 T302 V303V42-V44 HydrophobicContact CG2-CG2 4.36Å; V42-L60 HydrophobicContact CG1-CD2 4.3Å; V42-F63 HydrophobicContact CG1-CE2 3.95Å; V42-S269 CarbonylContact O-C 3.59Å; V42-S269 WeakPolarHBondContact O-CA 3.24Å; V42-S269 WeakPolarHBondContact O-CB 3.45Å; V42-A270 HydrophobicContact CG1-CB 3.91Å; V42-A270 PolarHBondContact N-O 2.85Å; V42-A270 PolarHBondContact O-N 2.77Å; V42-L274 HydrophobicContact CB-CD1 4Å; V42-L274 HydrophobicContact CG1-CD1 3.75Å; V42-L279 HydrophobicContact CB-CD2 3.81Å; V42-L279 HydrophobicContact CG1-CD2 4.05Å; V42-L279 HydrophobicContact CG2-CD2 4Å; V42-L282 HydrophobicContact CG1-CD2 4.48Å; V42-L282 HydrophobicContact CG2-CD2 3.87Å; V42-V301 HydrophobicContact CG2-CG1 3.71Å; V42-T302 CarbonylContact C-O 3.46Å; V42-T302 VanDerWaalsContact CA-O 3.32Å; V42-T302 WeakPolarHBondContact CA-O 3.18Å; V42-V303 HydrophobicContact CB-CG2 4.06Å; V42-V303 HydrophobicContact CG2-CG2 3.77Å
43S95.9Very high82Confident6 Ų637.6 Ų37.64%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-121.2127.1171.7-74.10000109.2K41 D237 M268 V301 T302K41-S43 WeakPolarHBondContact CE-OG 2.93Å; K41-S43 PolarHBondContact NZ-OG 3.46Å; S43-D237 VanDerWaalsContact CB-OD1 3.27Å; S43-D237 WeakPolarHBondContact CB-OD1 3.32Å; S43-D237 PolarHBondContact OG-OD1 3.05Å; S43-M268 CarbonylContact C-O 3.54Å; S43-M268 WeakPolarHBondContact CA-O 3.44Å; S43-V301 CarbonylContact O-C 3.58Å; S43-V301 WeakPolarHBondContact O-CA 3.43Å; S43-T302 PolarHBondContact N-O 2.57Å; S43-T302 PolarHBondContact O-N 2.94Å
44V95Very high81.4Confident2 Ų242.1 Ų42.11%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-110.4127.8175.4-1740000108.6V42 L46 L56 S267 M268 L282 L286 S300 V301V42-V44 HydrophobicContact CG2-CG2 4.36Å; V44-L46 HydrophobicContact CG1-CD1 4.4Å; V44-L46 HydrophobicContact CG1-CG 4.1Å; V44-L56 HydrophobicContact CG1-CD2 4.22Å; V44-S267 CarbonylContact O-C 3.46Å; V44-S267 VanDerWaalsContact O-CA 3.31Å; V44-S267 WeakPolarHBondContact O-CA 3.46Å; V44-M268 PolarHBondContact N-O 3.34Å; V44-M268 PolarHBondContact O-N 3.14Å; V44-L282 HydrophobicContact CG2-CD1 4.47Å; V44-L282 HydrophobicContact CG2-CD2 3.92Å; V44-L286 HydrophobicContact CG1-CD1 3.91Å; V44-L286 HydrophobicContact CG1-CD2 4.13Å; V44-L286 HydrophobicContact CG2-CD1 4.35Å; V44-S300 CarbonylContact C-O 3.53Å; V44-S300 VanDerWaalsContact CA-O 3.31Å; V44-S300 WeakPolarHBondContact CA-O 3.5Å; V44-V301 HydrophobicContact CG2-CG2 4.44Å
45L92.5Very high81.4Confident9 Ų942.9 Ų42.95%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-116.6123.4175.1178.564.8000109.2L213 L216 W232 V236 M266 W298 S300L45-L213 HydrophobicContact CD1-CD1 3.81Å; L45-L216 HydrophobicContact CD1-CD2 4.42Å; L45-W232 HydrophobicContact CD2-CH2 4.14Å; L45-W232 HydrophobicContact CD2-CZ3 4.37Å; L45-V236 HydrophobicContact CD1-CG1 3.93Å; L45-V236 HydrophobicContact CD2-CB 4.5Å; L45-V236 HydrophobicContact CD2-CG1 3.85Å; L45-M266 WeakPolarHBondContact CA-O 3.17Å; L45-W298 HydrophobicContact CB-CZ3 4.48Å; L45-W298 HydrophobicContact CD2-CH2 3.61Å; L45-W298 HydrophobicContact CD2-CZ3 4Å; L45-W298 HydrophobicContact CG-CH2 3.77Å; L45-W298 HydrophobicContact CG-CZ3 4.03Å; L45-S300 PolarHBondContact N-O 3.04Å; L45-S300 PolarHBondContact O-N 2.81Å
46L89.4Confident81.5Confident4 Ų441.1 Ų41.12%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-126128.3-179.3-67.9171.9000110.4V44 L56 A265 M266 L286 Y289 A299V44-L46 HydrophobicContact CG1-CD1 4.4Å; V44-L46 HydrophobicContact CG1-CG 4.1Å; L46-L56 HydrophobicContact CD1-CD2 3.51Å; L46-A265 CarbonylContact O-C 3.53Å; L46-A265 VanDerWaalsContact O-CA 3.31Å; L46-A265 WeakPolarHBondContact O-CA 3.46Å; L46-A265 WeakPolarHBondContact O-CB 3.13Å; L46-M266 PolarHBondContact N-O 2.65Å; L46-M266 PolarHBondContact O-N 3.11Å; L46-L286 HydrophobicContact CD1-CD2 4.4Å; L46-L286 HydrophobicContact CD2-CD2 4.23Å; L46-Y289 HydrophobicContact CD2-CE1 4.42Å; L46-A299 HydrophobicContact CD2-CB 3.46Å; L46-A299 VanDerWaalsContact CD2-CB 3.46Å
47P85.2Confident81.6Confident9 Ų943.4 Ų43.46%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-78.2166173.338.1-39.4000111.8Y49 V262 W298P47-Y49 PolarHBondContact O-N 3.48Å; P47-V262 HydrophobicContact CB-CG1 4.02Å; P47-V262 HydrophobicContact CB-CG2 4.4Å; P47-W298 HydrophobicContact CB-CZ2 4.06Å; P47-W298 WeakPolarHBondContact CD-O 3.49Å; P47-W298 HydrophobicContact CG-CD2 4.07Å; P47-W298 HydrophobicContact CG-CG 4.06Å; P47-W298 HydrophobicContact CG-CZ2 4.29Å
48E71.8Confident81.9Confident106 Ų10645.5 Ų45.550%0.49525%0.25SS..SBendtrans52.551.8165.1-62.5-175.1177.800115.1V262 R264E48-V262 HydrophobicContact CG-CG1 3.84Å; E48-R264 WeakPolarHBondContact CA-O 3.38Å; E48-R264 PolarHBondContact N-O 3.42Å
49Y67.9Low82Confident45 Ų4545.6 Ų45.618%0.17625%0.251CS..  trans-113.2114.9-173.2-141.6-89.3000112.7P47 S51 P53 R264 M266 Y289P47-Y49 PolarHBondContact O-N 3.48Å; Y49-S51 WeakPolarHBondContact CE1-O 3.26Å; Y49-P53 HydrophobicContact CE1-CB 4.37Å; Y49-P53 HydrophobicContact CE1-CG 3.74Å; Y49-P53 HydrophobicContact CE2-CB 4.37Å; Y49-P53 HydrophobicContact CE2-CG 3.72Å; Y49-P53 WeakPolarHBondContact OH-CA 3.45Å; Y49-P53 WeakPolarHBondContact OH-CB 3.06Å; Y49-P53 WeakPolarHBondContact OH-CD 3.5Å; Y49-P53 VanDerWaalsContact OH-CG 3.23Å; Y49-P53 WeakPolarHBondContact OH-CG 3.2Å; Y49-R264 PolarHBondContact N-O 3.13Å; Y49-M266 HydrophobicContact CD1-CE 3.81Å; Y49-M266 HydrophobicContact CE1-CE 4.15Å; Y49-Y289 HydrophobicContact CE2-CE2 4.46Å; Y49-Y289 WeakPolarHBondContact CE2-OH 3.31Å
50D56.2Low82Confident126 Ų12645.7 Ų45.767%0.67425%0.251SS*.SBendtrans-84.3-33.6-178.5-79.3-29.7000113.8R264D50-R264 IonicContact OD1-CZ 3.79Å; D50-R264 IonicContact OD1-NH1 2.67Å; D50-R264 PolarHBondContact OD1-NH1 2.77Å
51S56.2Low82Confident93 Ų9344.2 Ų44.265%0.6525%0.251SS*.SBendtrans-161120.9-178.760.90000112.6Y49Y49-S51 WeakPolarHBondContact CE1-O 3.26Å
52A55.2Low81.9Confident41 Ų4145.7 Ų45.734%0.33927%0.267SS..  trans-34.4132.2-165.300000117.3S54 M266A52-S54 VanDerWaalsContact C-N 3.33Å; A52-S54 PolarHBondContact O-N 3.45Å; A52-M266 HydrophobicContact CB-CE 3.42Å; A52-M266 VanDerWaalsContact CB-CE 3.42Å
53P66.7Low81.9Confident16 Ų1646 Ų4610%0.10427%0.268CS..  trans-69103.1175.69.33.8000104.8Y49 H55 L56 E57 M266Y49-P53 HydrophobicContact CE1-CB 4.37Å; Y49-P53 HydrophobicContact CE1-CG 3.74Å; Y49-P53 HydrophobicContact CE2-CB 4.37Å; Y49-P53 HydrophobicContact CE2-CG 3.72Å; Y49-P53 WeakPolarHBondContact OH-CA 3.45Å; Y49-P53 WeakPolarHBondContact OH-CB 3.06Å; Y49-P53 WeakPolarHBondContact OH-CD 3.5Å; Y49-P53 VanDerWaalsContact OH-CG 3.23Å; Y49-P53 WeakPolarHBondContact OH-CG 3.2Å; P53-H55 PolarHBondContact O-N 3.32Å; P53-L56 HydrophobicContact CB-CB 3.99Å; P53-L56 HydrophobicContact CG-CB 3.79Å; P53-L56 HydrophobicContact CG-CD2 4.29Å; P53-L56 PolarHBondContact O-N 2.98Å; P53-E57 PolarHBondContact O-N 3.03Å; P53-M266 HydrophobicContact CG-SD 4.48Å
54S71.8Confident81.8Confident100 Ų10047.2 Ų47.270%0.69928%0.277SS*.Hα-helixtrans-51.5-31.1174.649.70000110.7A52 S58A52-S54 VanDerWaalsContact C-N 3.33Å; A52-S54 PolarHBondContact O-N 3.45Å; S54-S58 VanDerWaalsContact O-CB 3.25Å; S54-S58 WeakPolarHBondContact O-CB 3.32Å; S54-S58 PolarHBondContact O-N 3.44Å
55H82.5Confident81.9Confident106 Ų10648.2 Ų48.249%0.49128%0.284SS..Hα-helixtrans-59.1-48.4171.8-166.158.5000113.8P53 S58 I59 E285P53-H55 PolarHBondContact O-N 3.32Å; H55-S58 WeakPolarHBondContact O-CB 3.3Å; H55-S58 PolarHBondContact O-N 2.92Å; H55-I59 VanDerWaalsContact O-CG1 3.27Å; H55-I59 WeakPolarHBondContact O-CG1 3.48Å; H55-I59 PolarHBondContact O-N 3.2Å; H55-E285 IonicContact CD2-OE2 3.71Å; H55-E285 IonicContact CE1-OE2 3.64Å; H55-E285 IonicContact NE2-OE2 2.72Å; H55-E285 PolarHBondContact NE2-OE2 3.14Å
56L84.1Confident82.1Confident8 Ų848.6 Ų48.64%0.04229%0.285CS..Hα-helixtrans-70-40.3-178.4-171.863.4000112.3V44 L46 P53 S58 I59 L60 M268 L282 L286V44-L56 HydrophobicContact CG1-CD2 4.22Å; L46-L56 HydrophobicContact CD1-CD2 3.51Å; P53-L56 HydrophobicContact CB-CB 3.99Å; P53-L56 HydrophobicContact CG-CB 3.79Å; P53-L56 HydrophobicContact CG-CD2 4.29Å; P53-L56 PolarHBondContact O-N 2.98Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 2.79Å; L56-I59 HydrophobicContact CD1-CD1 4.47Å; L56-I59 PolarHBondContact O-N 3.46Å; L56-L60 PolarHBondContact O-N 2.94Å; L56-M268 HydrophobicContact CB-SD 4.2Å; L56-M268 HydrophobicContact CD2-SD 3.6Å; L56-M268 VanDerWaalsContact CD2-SD 3.6Å; L56-M268 HydrophobicContact CG-SD 3.84Å; L56-L282 HydrophobicContact CD1-CD1 3.48Å; L56-L282 VanDerWaalsContact CD1-CD1 3.48Å; L56-L286 HydrophobicContact CD1-CD2 3.88Å; L56-L286 HydrophobicContact CD1-CG 4.32Å; L56-L286 HydrophobicContact CD2-CD2 4.3Å
57E87.3Confident82.5Confident56 Ų5649.3 Ų49.326%0.26229%0.287SS..Hα-helixtrans-62.1-40.1172.6-166.8167.3173.300111P53 L60 N61 R210 M268P53-E57 PolarHBondContact O-N 3.03Å; E57-L60 PolarHBondContact O-N 3.45Å; E57-N61 WeakPolarHBondContact O-CB 3.2Å; E57-N61 PolarHBondContact O-N 2.82Å; E57-N61 PolarHBondContact O-ND2 3.34Å; E57-R210 IonicContact OE1-NH1 2.71Å; E57-R210 IonicContact OE2-NH1 2.78Å; E57-R210 PolarHBondContact OE2-NH1 2.85Å; E57-M268 VanDerWaalsContact CA-CE 3.46Å; E57-M268 HydrophobicContact CB-CE 3.62Å; E57-M268 HydrophobicContact CG-CE 3.97Å
58S91.1Very high83.1Confident74 Ų7450 Ų5052%0.51729%0.291SS..Hα-helixtrans-62.7-41.1173.4-172.70000112.2S54 H55 L56 N61 S62S54-S58 VanDerWaalsContact O-CB 3.25Å; S54-S58 WeakPolarHBondContact O-CB 3.32Å; S54-S58 PolarHBondContact O-N 3.44Å; H55-S58 WeakPolarHBondContact O-CB 3.3Å; H55-S58 PolarHBondContact O-N 2.92Å; L56-S58 VanDerWaalsContact C-N 3.29Å; L56-S58 PolarHBondContact O-N 2.79Å; S58-N61 PolarHBondContact O-N 3.43Å; S58-S62 VanDerWaalsContact O-CB 3.32Å; S58-S62 WeakPolarHBondContact O-CB 3.18Å; S58-S62 PolarHBondContact O-N 3.34Å; S58-S62 PolarHBondContact O-OG 3.09Å
59I93.3Very high84.3Confident8 Ų845 Ų454%0.04127%0.267CS..Hα-helixtrans-60.9-53177.2-68.9158.1000110.1H55 L56 N61 S62 F63 L282 E285H55-I59 VanDerWaalsContact O-CG1 3.27Å; H55-I59 WeakPolarHBondContact O-CG1 3.48Å; H55-I59 PolarHBondContact O-N 3.2Å; L56-I59 HydrophobicContact CD1-CD1 4.47Å; L56-I59 PolarHBondContact O-N 3.46Å; I59-N61 VanDerWaalsContact C-N 3.27Å; I59-N61 PolarHBondContact O-N 2.92Å; I59-S62 WeakPolarHBondContact CA-OG 3.49Å; I59-S62 WeakPolarHBondContact O-CA 3.5Å; I59-S62 WeakPolarHBondContact O-CB 3.18Å; I59-S62 PolarHBondContact O-N 2.94Å; I59-S62 PolarHBondContact O-OG 2.79Å; I59-F63 HydrophobicContact CG2-CE1 4.03Å; I59-F63 VanDerWaalsContact O-CD1 3.23Å; I59-F63 WeakPolarHBondContact O-CD1 3.46Å; I59-F63 PolarHBondContact O-N 2.87Å; I59-L282 HydrophobicContact CG2-CB 4.37Å; I59-L282 HydrophobicContact CG2-CD1 3.98Å; I59-E285 HydrophobicContact CD1-CB 3.5Å; I59-E285 HydrophobicContact CD1-CG 3.62Å; I59-E285 HydrophobicContact CG1-CG 4.35Å
60L93.7Very high85.7Confident1 Ų148 Ų481%0.00528%0.281CS..Hα-helixtrans-61.3-35.8179.5-65.2-178.7000112.5V42 L56 E57 S62 F63 V208 M268 A270 L282V42-L60 HydrophobicContact CG1-CD2 4.3Å; L56-L60 PolarHBondContact O-N 2.94Å; E57-L60 PolarHBondContact O-N 3.45Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 3.4Å; L60-F63 HydrophobicContact CD2-CE1 4.14Å; L60-F63 HydrophobicContact CD2-CE2 3.85Å; L60-F63 HydrophobicContact CD2-CZ 3.62Å; L60-F63 WeakPolarHBondContact O-CB 3.48Å; L60-F63 WeakPolarHBondContact O-CG 3.34Å; L60-F63 PolarHBondContact O-N 3.01Å; L60-V208 HydrophobicContact CB-CG1 4.01Å; L60-V208 HydrophobicContact CB-CG2 3.84Å; L60-V208 HydrophobicContact CD1-CG1 4.05Å; L60-M268 HydrophobicContact CD1-CB 3.87Å; L60-M268 HydrophobicContact CD1-CE 3.79Å; L60-A270 HydrophobicContact CD2-CB 4.22Å; L60-L282 HydrophobicContact CD2-CD1 4.16Å; L60-L282 HydrophobicContact CD2-CD2 4.04Å
61N93.4Very high87.5Confident77 Ų7748.4 Ų48.441%0.41228%0.279SS..Hα-helixtrans-74.1-18.1175.8-78.1-57000113.9E57 S58 I59E57-N61 WeakPolarHBondContact O-CB 3.2Å; E57-N61 PolarHBondContact O-N 2.82Å; E57-N61 PolarHBondContact O-ND2 3.34Å; S58-N61 PolarHBondContact O-N 3.43Å; I59-N61 VanDerWaalsContact C-N 3.27Å; I59-N61 PolarHBondContact O-N 2.92Å
62S94.1Very high89.5Confident73 Ų7344 Ų4451%0.5125%0.248SC..THydrogen-bonded Turntrans-86.8-5.3175.773.50000113.8S58 I59 L60S58-S62 VanDerWaalsContact O-CB 3.32Å; S58-S62 WeakPolarHBondContact O-CB 3.18Å; S58-S62 PolarHBondContact O-N 3.34Å; S58-S62 PolarHBondContact O-OG 3.09Å; I59-S62 WeakPolarHBondContact CA-OG 3.49Å; I59-S62 WeakPolarHBondContact O-CA 3.5Å; I59-S62 WeakPolarHBondContact O-CB 3.18Å; I59-S62 PolarHBondContact O-N 2.94Å; I59-S62 PolarHBondContact O-OG 2.79Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 3.4Å
63F95.8Very high91.5Very high6 Ų643 Ų433%0.02624%0.239CC..SBendtrans-54.9149.4175.6-78.210.5000111.6V42 I59 L60 S65 P206 A270 L274 D278 L279 L282V42-F63 HydrophobicContact CG1-CE2 3.95Å; I59-F63 HydrophobicContact CG2-CE1 4.03Å; I59-F63 VanDerWaalsContact O-CD1 3.23Å; I59-F63 WeakPolarHBondContact O-CD1 3.46Å; I59-F63 PolarHBondContact O-N 2.87Å; L60-F63 HydrophobicContact CD2-CE1 4.14Å; L60-F63 HydrophobicContact CD2-CE2 3.85Å; L60-F63 HydrophobicContact CD2-CZ 3.62Å; L60-F63 WeakPolarHBondContact O-CB 3.48Å; L60-F63 WeakPolarHBondContact O-CG 3.34Å; L60-F63 PolarHBondContact O-N 3.01Å; F63-S65 PolarHBondContact O-N 3.44Å; F63-P206 HydrophobicContact CB-CG 3.86Å; F63-P206 HydrophobicContact CD2-CG 4.46Å; F63-A270 HydrophobicContact CD2-CB 4.38Å; F63-A270 HydrophobicContact CE2-CB 4.4Å; F63-L274 HydrophobicContact CD2-CD2 4.1Å; F63-D278 HydrophobicContact CB-CB 4.45Å; F63-D278 HydrophobicContact CD1-CB 3.75Å; F63-D278 HydrophobicContact CD2-CB 4.29Å; F63-D278 HydrophobicContact CE1-CB 3.9Å; F63-D278 WeakPolarHBondContact CE1-O 3.45Å; F63-D278 HydrophobicContact CE2-CB 4.42Å; F63-D278 HydrophobicContact CG-CB 3.93Å; F63-D278 HydrophobicContact CZ-CB 4.22Å; F63-L279 HydrophobicContact CE2-CD2 4.25Å; F63-L279 HydrophobicContact CZ-CD2 4.36Å; F63-L282 HydrophobicContact CE1-CB 4.24Å; F63-L282 HydrophobicContact CZ-CB 4.06Å; F63-L282 HydrophobicContact CZ-CD2 3.99Å
64S95.3Very high92.8Very high32 Ų3242.3 Ų42.322%0.22423%0.234CC..PPolyproline II helixtrans-58.1136-173.2-63.60000111.5D278S64-D278 WeakPolarHBondContact CB-OD2 3.1Å; S64-D278 PolarHBondContact N-OD2 3.23Å; S64-D278 PolarHBondContact OG-OD1 2.84Å; S64-D278 PolarHBondContact OG-OD2 3.35Å; S64-D278 VanDerWaalsContact OG-OD2 3.08Å
65S95.7Very high94Very high23 Ų2340.4 Ų40.416%0.16121%0.212CC..PPolyproline II helixtrans-61.3153.9167.8-68.40000110.4F63 S183 E203 R204F63-S65 PolarHBondContact O-N 3.44Å; S65-S183 PolarHBondContact O-OG 2.8Å; S65-E203 WeakPolarHBondContact CB-OE1 3.48Å; S65-E203 PolarHBondContact OG-OE1 3.45Å; S65-R204 WeakPolarHBondContact CA-O 3.28Å
66F96.9Very high94.6Very high16 Ų1636 Ų367%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-133.9161170.661.9-89.1000110.3L181 R204 P206 L273F66-L181 HydrophobicContact CD2-CD2 3.97Å; F66-L181 HydrophobicContact CE2-CD2 4Å; F66-R204 HydrophobicContact CD2-CB 3.97Å; F66-R204 HydrophobicContact CE1-CB 4.09Å; F66-R204 HydrophobicContact CE2-CB 3.49Å; F66-R204 VanDerWaalsContact CE2-CB 3.49Å; F66-R204 HydrophobicContact CE2-CG 4.12Å; F66-R204 HydrophobicContact CG-CB 4.46Å; F66-R204 HydrophobicContact CZ-CB 3.56Å; F66-R204 HydrophobicContact CZ-CG 4.49Å; F66-R204 PolarHBondContact N-O 3.4Å; F66-R204 PolarHBondContact O-N 2.64Å; F66-R204 VanDerWaalsContact O-O 3.07Å; F66-P206 HydrophobicContact CE1-CG 4.27Å; F66-L273 HydrophobicContact CB-CB 3.93Å; F66-L273 HydrophobicContact CB-CD2 4.16Å; F66-L273 HydrophobicContact CB-CG 4.48Å; F66-L273 HydrophobicContact CD1-CB 4.1Å; F66-L273 HydrophobicContact CD2-CB 4.07Å; F66-L273 HydrophobicContact CG-CB 3.78Å
67Y97.8Very high95.1Very high19 Ų1935.6 Ų35.68%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-118.5132.6-174.4-57.4-90.3000109.8L181 I182 G189 L192 L196 W201 L202 E203Y67-L181 CarbonylContact O-C 3.55Å; Y67-L181 WeakPolarHBondContact O-CA 3.36Å; Y67-I182 PolarHBondContact N-O 2.78Å; Y67-I182 PolarHBondContact O-N 3.17Å; Y67-G189 VanDerWaalsContact OH-CA 3.24Å; Y67-G189 WeakPolarHBondContact OH-CA 3.44Å; Y67-L192 HydrophobicContact CD2-CD1 3.74Å; Y67-L192 HydrophobicContact CE2-CD1 4.05Å; Y67-L196 HydrophobicContact CD1-CD1 3.83Å; Y67-L196 HydrophobicContact CD1-CD2 4.36Å; Y67-L196 HydrophobicContact CD2-CD1 4.26Å; Y67-L196 HydrophobicContact CE1-CD1 3.95Å; Y67-L196 HydrophobicContact CE2-CD1 4.38Å; Y67-L196 HydrophobicContact CG-CD1 4.01Å; Y67-L196 HydrophobicContact CG-CD2 4.21Å; Y67-W201 HydrophobicContact CD1-CD2 4.31Å; Y67-W201 AromaticContact CD1-CE3 3.66Å; Y67-W201 HydrophobicContact CD1-CE3 3.66Å; Y67-W201 AromaticContact CD1-CZ3 3.95Å; Y67-W201 HydrophobicContact CD1-CZ3 3.95Å; Y67-W201 HydrophobicContact CE1-CE3 4.13Å; Y67-W201 HydrophobicContact CE1-CH2 4.48Å; Y67-W201 AromaticContact CE1-CZ3 3.93Å; Y67-W201 HydrophobicContact CE1-CZ3 3.93Å; Y67-L202 WeakPolarHBondContact CA-O 3.1Å; Y67-E203 HydrophobicContact CD1-CB 3.87Å; Y67-E203 HydrophobicContact CD1-CG 4.21Å; Y67-E203 HydrophobicContact CE1-CB 3.67Å; Y67-E203 HydrophobicContact CE1-CG 3.71Å
68L97.8Very high95.5Very high25 Ų2533 Ų3313%0.13118%0.177CC..EExtended strand (participates in β ladder)trans-98.5109.5167.5173.462.4000108.2F97 D179 L181 W201 L202L68-F97 HydrophobicContact CD1-CB 4.19Å; L68-F97 HydrophobicContact CD1-CD1 3.63Å; L68-F97 HydrophobicContact CD1-CE1 4.33Å; L68-F97 HydrophobicContact CD1-CG 4.13Å; L68-F97 HydrophobicContact CD2-CD1 4.36Å; L68-F97 HydrophobicContact CD2-CE1 4.31Å; L68-D179 HydrophobicContact CD1-CB 4.23Å; L68-L181 HydrophobicContact CB-CD2 4.08Å; L68-L181 HydrophobicContact CD1-CD2 3.95Å; L68-W201 CarbonylContact O-C 3.54Å; L68-W201 VanDerWaalsContact O-CA 3.24Å; L68-W201 WeakPolarHBondContact O-CA 3.39Å; L68-L202 PolarHBondContact N-O 2.93Å; L68-L202 PolarHBondContact O-N 3.27Å
69I97.9Very high95.7Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-90.7127.1172.7-52.7177.7000108.1L72 D179 F180 I182 L195 L196 C199 D200 W201I69-L72 HydrophobicContact CB-CB 4.34Å; I69-L72 HydrophobicContact CD1-CD2 4.43Å; I69-L72 HydrophobicContact CG2-CB 3.85Å; I69-L72 HydrophobicContact CG2-CD1 4.12Å; I69-L72 HydrophobicContact CG2-CG 4.45Å; I69-D179 CarbonylContact O-C 3.55Å; I69-D179 WeakPolarHBondContact O-CA 3.42Å; I69-F180 PolarHBondContact N-O 3.25Å; I69-F180 PolarHBondContact O-N 2.92Å; I69-I182 HydrophobicContact CD1-CG2 3.85Å; I69-I182 HydrophobicContact CG1-CG2 4.17Å; I69-L195 HydrophobicContact CD1-CD2 3.66Å; I69-L195 HydrophobicContact CD1-CG 4.01Å; I69-L196 HydrophobicContact CD1-CD2 3.91Å; I69-L196 HydrophobicContact CG1-CD2 3.99Å; I69-C199 HydrophobicContact CG2-CB 3.42Å; I69-C199 VanDerWaalsContact CG2-CB 3.42Å; I69-D200 WeakPolarHBondContact CA-O 3.37Å; I69-W201 HydrophobicContact CG1-CB 4.18Å
70K96.7Very high95.7Very high107 Ų10735.6 Ų35.647%0.46518%0.18SC..EExtended strand (participates in β ladder)trans-88.3137.2178.9-66.8-174.7178.8179.30110.7L72 D179 D200K70-L72 PolarHBondContact O-N 3.23Å; K70-L72 VanDerWaalsContact O-N 3.1Å; K70-D179 WeakPolarHBondContact CA-OD1 3.38Å; K70-D200 PolarHBondContact N-O 3.3Å
71Q95.6Very high95.8Very high135 Ų13540.3 Ų40.363%0.63121%0.205SC*.EExtended strand (participates in β ladder)trans47.939.9175.4-59.5-178.9-1.400113.8P73 M178 D179Q71-P73 WeakPolarHBondContact O-CD 3.41Å; Q71-M178 CarbonylContact C-O 3.6Å; Q71-D179 PolarHBondContact N-OD1 3.41Å
72L97.3Very high95.9Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-59117.7-179.1174.164.2000110I69 K70 L74 E76 L77 Q177 M178 F180 L195I69-L72 HydrophobicContact CB-CB 4.34Å; I69-L72 HydrophobicContact CD1-CD2 4.43Å; I69-L72 HydrophobicContact CG2-CB 3.85Å; I69-L72 HydrophobicContact CG2-CD1 4.12Å; I69-L72 HydrophobicContact CG2-CG 4.45Å; K70-L72 PolarHBondContact O-N 3.23Å; K70-L72 VanDerWaalsContact O-N 3.1Å; L72-L74 PolarHBondContact O-N 2.79Å; L72-E76 HydrophobicContact CD1-CB 4.02Å; L72-E76 HydrophobicContact CD1-CG 4.46Å; L72-L77 HydrophobicContact CD2-CD1 4.44Å; L72-L77 HydrophobicContact CD2-CD2 3.98Å; L72-L77 HydrophobicContact CD2-CG 4.15Å; L72-Q177 WeakPolarHBondContact O-CA 3.4Å; L72-M178 WeakPolarHBondContact CB-O 3.31Å; L72-M178 PolarHBondContact N-O 3.3Å; L72-M178 PolarHBondContact O-N 3.35Å; L72-F180 HydrophobicContact CB-CB 4.16Å; L72-F180 HydrophobicContact CD2-CB 3.68Å; L72-F180 HydrophobicContact CD2-CD1 3.86Å; L72-F180 HydrophobicContact CD2-CD2 4.41Å; L72-F180 HydrophobicContact CD2-CG 3.74Å; L72-L195 HydrophobicContact CD1-CD1 4.03Å
73P96.6Very high95.8Very high22 Ų2233.2 Ų33.214%0.14316%0.162CC..EExtended strand (participates in β ladder)trans-69.2121.3167.5-12.528.8000109Q71 Y75 E76 Q177Q71-P73 WeakPolarHBondContact O-CD 3.41Å; P73-Y75 HydrophobicContact CB-CD1 3.78Å; P73-Y75 HydrophobicContact CB-CE1 3.29Å; P73-Y75 HydrophobicContact CG-CE1 4.26Å; P73-Y75 PolarHBondContact O-N 3.31Å; P73-Y75 VanDerWaalsContact O-N 3.1Å; P73-E76 HydrophobicContact CB-CG 4.08Å; P73-E76 HydrophobicContact CG-CG 4.23Å; P73-E76 VanDerWaalsContact O-CB 3.28Å; P73-E76 WeakPolarHBondContact O-CB 3.2Å; P73-E76 VanDerWaalsContact O-CG 3.22Å; P73-E76 WeakPolarHBondContact O-CG 3.47Å; P73-E76 PolarHBondContact O-N 2.89Å; P73-Q177 HydrophobicContact CB-CG 4.17Å; P73-Q177 HydrophobicContact CG-CG 4.29Å
74L95.4Very high95.7Very high1 Ų138.8 Ų38.81%0.00519%0.188CC..G310 helixtrans-66.1-20.8-169.3-68.9-176.2000114.7L72 E76 L77 V107 F119 L170 L176 M178L72-L74 PolarHBondContact O-N 2.79Å; L74-E76 PolarHBondContact O-N 3.08Å; L74-L77 HydrophobicContact CD2-CD1 4.01Å; L74-L77 WeakPolarHBondContact O-CB 3.25Å; L74-L77 PolarHBondContact O-N 3.33Å; L74-L77 VanDerWaalsContact O-N 3.15Å; L74-V107 HydrophobicContact CD1-CB 4.36Å; L74-V107 HydrophobicContact CD1-CG1 4.39Å; L74-V107 HydrophobicContact CD1-CG2 3.68Å; L74-V107 HydrophobicContact CD2-CG1 4.46Å; L74-F119 HydrophobicContact CD1-CD1 4.45Å; L74-F119 HydrophobicContact CD1-CE1 3.92Å; L74-L170 HydrophobicContact CB-CD1 4.24Å; L74-L170 HydrophobicContact CB-CD2 4.22Å; L74-L176 HydrophobicContact CD1-CB 4.06Å; L74-L176 HydrophobicContact CD1-CD2 3.54Å; L74-L176 HydrophobicContact CD1-CG 3.72Å; L74-L176 HydrophobicContact CG-CG 4.47Å; L74-L176 PolarHBondContact N-O 3.43Å; L74-L176 VanDerWaalsContact N-O 3.08Å; L74-M178 HydrophobicContact CD1-CE 3.81Å; L74-M178 HydrophobicContact CD1-SD 4.23Å; L74-M178 HydrophobicContact CD2-CE 4.48Å; L74-M178 HydrophobicContact CD2-CG 3.99Å; L74-M178 HydrophobicContact CD2-SD 3.92Å; L74-M178 HydrophobicContact CG-CE 4.38Å; L74-M178 HydrophobicContact CG-SD 4.45Å
75Y95.1Very high95.6Very high59 Ų5938.9 Ų38.923%0.23119%0.188CC..G310 helixtrans-63.8-18.3173.971-99.4000112.3P73 L77 L78 M171P73-Y75 HydrophobicContact CB-CD1 3.78Å; P73-Y75 HydrophobicContact CB-CE1 3.29Å; P73-Y75 HydrophobicContact CG-CE1 4.26Å; P73-Y75 PolarHBondContact O-N 3.31Å; P73-Y75 VanDerWaalsContact O-N 3.1Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.2Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.46Å; Y75-L78 VanDerWaalsContact O-N 3.07Å; Y75-M171 HydrophobicContact CD1-CG 3.7Å; Y75-M171 HydrophobicContact CD2-CG 3.95Å; Y75-M171 HydrophobicContact CD2-SD 4.17Å; Y75-M171 HydrophobicContact CE1-CG 4.32Å; Y75-M171 HydrophobicContact CG-CG 3.51Å; Y75-M171 HydrophobicContact CG-SD 4.33Å
76E95.9Very high95.4Very high13 Ų1337.8 Ų37.86%0.06118%0.181CC..G310 helixtrans-70.8-22176.4-54.5-63.2-163.700112.7L72 P73 L74 L78 D79 L195 R198L72-E76 HydrophobicContact CD1-CB 4.02Å; L72-E76 HydrophobicContact CD1-CG 4.46Å; P73-E76 HydrophobicContact CB-CG 4.08Å; P73-E76 HydrophobicContact CG-CG 4.23Å; P73-E76 VanDerWaalsContact O-CB 3.28Å; P73-E76 WeakPolarHBondContact O-CB 3.2Å; P73-E76 VanDerWaalsContact O-CG 3.22Å; P73-E76 WeakPolarHBondContact O-CG 3.47Å; P73-E76 PolarHBondContact O-N 2.89Å; L74-E76 PolarHBondContact O-N 3.08Å; E76-L78 PolarHBondContact O-N 3.32Å; E76-D79 VanDerWaalsContact O-CB 3.3Å; E76-D79 WeakPolarHBondContact O-CB 3.31Å; E76-D79 PolarHBondContact O-N 2.91Å; E76-D79 VanDerWaalsContact O-N 3.11Å; E76-L195 HydrophobicContact CB-CD1 3.76Å; E76-R198 VanDerWaalsContact CD-CZ 3.5Å; E76-R198 IonicContact OE1-CZ 3.04Å; E76-R198 IonicContact OE1-NH1 3.76Å; E76-R198 PolarHBondContact OE1-NH1 3.18Å; E76-R198 IonicContact OE1-NH2 2.8Å; E76-R198 PolarHBondContact OE1-NH2 2.96Å; E76-R198 IonicContact OE2-CZ 3.62Å; E76-R198 IonicContact OE2-NH1 3.39Å; E76-R198 PolarHBondContact OE2-NH1 2.81Å; E76-R198 IonicContact OE2-NH2 3.21Å; E76-R198 PolarHBondContact OE2-NH2 3.33Å
77L95.3Very high95.1Very high0 Ų037 Ų370%018%0.177CC..G310 helixtrans-68.3-10.6169.5-62176.6000112.8L72 L74 Y75 F82 L117 F180 L195L72-L77 HydrophobicContact CD2-CD1 4.44Å; L72-L77 HydrophobicContact CD2-CD2 3.98Å; L72-L77 HydrophobicContact CD2-CG 4.15Å; L74-L77 HydrophobicContact CD2-CD1 4.01Å; L74-L77 WeakPolarHBondContact O-CB 3.25Å; L74-L77 PolarHBondContact O-N 3.33Å; L74-L77 VanDerWaalsContact O-N 3.15Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.2Å; L77-F82 HydrophobicContact CB-CE1 4.36Å; L77-F82 HydrophobicContact CD2-CE1 3.97Å; L77-F82 HydrophobicContact CD2-CZ 4.14Å; L77-F82 WeakPolarHBondContact O-CD1 3.28Å; L77-L117 HydrophobicContact CD1-CD1 3.95Å; L77-F180 HydrophobicContact CD1-CE1 4.36Å; L77-F180 HydrophobicContact CD1-CZ 4.11Å; L77-F180 HydrophobicContact CD2-CE1 4.45Å; L77-L195 HydrophobicContact CD2-CD2 3.89Å
78L94.9Very high94.8Very high1 Ų139.5 Ų39.51%0.00519%0.187CC..G310 helixtrans-101.87.7175.2-51.7176.2000112.1Y75 E76 K80 L151 M156 Y163 L166 R167 L170Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.46Å; Y75-L78 VanDerWaalsContact O-N 3.07Å; E76-L78 PolarHBondContact O-N 3.32Å; L78-K80 PolarHBondContact O-N 3.34Å; L78-L151 HydrophobicContact CD2-CD2 3.78Å; L78-M156 HydrophobicContact CD2-CE 4.3Å; L78-Y163 HydrophobicContact CB-CE2 3.9Å; L78-Y163 VanDerWaalsContact O-CE2 3.26Å; L78-Y163 WeakPolarHBondContact O-CE2 3.26Å; L78-Y163 PolarHBondContact O-OH 2.8Å; L78-Y163 VanDerWaalsContact O-OH 3.11Å; L78-L166 HydrophobicContact CD1-CB 4.29Å; L78-L166 HydrophobicContact CD1-CD2 3.77Å; L78-L166 HydrophobicContact CD1-CG 3.79Å; L78-L166 HydrophobicContact CD2-CD2 3.83Å; L78-L166 HydrophobicContact CG-CD2 4.41Å; L78-R167 HydrophobicContact CD1-CB 3.97Å; L78-L170 HydrophobicContact CD1-CD1 4.07Å
79D94.8Very high94.4Very high32 Ų3244.8 Ų44.817%0.17121%0.211CC..  trans-59.6139.1175175.4-101.8000111.1E76 D81 F82 L83E76-D79 VanDerWaalsContact O-CB 3.3Å; E76-D79 WeakPolarHBondContact O-CB 3.31Å; E76-D79 PolarHBondContact O-N 2.91Å; E76-D79 VanDerWaalsContact O-N 3.11Å; D79-D81 VanDerWaalsContact C-N 3.34Å; D79-D81 PolarHBondContact O-N 2.93Å; D79-D81 WeakPolarHBondContact OD1-CB 3.44Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D79-F82 HydrophobicContact CB-CB 4.03Å; D79-F82 PolarHBondContact O-N 3Å; D79-F82 PolarHBondContact OD1-N 3.42Å; D79-L83 WeakPolarHBondContact O-CB 3.47Å; D79-L83 VanDerWaalsContact O-CG 3.23Å; D79-L83 WeakPolarHBondContact O-CG 3.28Å; D79-L83 PolarHBondContact O-N 3.34Å
80K94.9Very high93.9Very high105 Ų10545.4 Ų45.446%0.45722%0.218SC..Hα-helixtrans-64.6-41.9-172.4-55.9-162-178.9-177.60111.7L78 L83 Q84 P158L78-K80 PolarHBondContact O-N 3.34Å; K80-L83 PolarHBondContact O-N 3.17Å; K80-Q84 WeakPolarHBondContact O-CB 3.35Å; K80-Q84 PolarHBondContact O-N 2.8Å; K80-P158 HydrophobicContact CB-CB 4.44Å; K80-P158 HydrophobicContact CB-CG 4.28Å; K80-P158 HydrophobicContact CD-CB 3.59Å; K80-P158 HydrophobicContact CD-CG 4.29Å; K80-P158 HydrophobicContact CG-CB 3.68Å; K80-P158 HydrophobicContact CG-CG 4Å
81D95.1Very high93.6Very high100 Ų10040.6 Ų40.654%0.53520%0.198SC..Hα-helixtrans-73.9-37.6-176-61.3-26.6000109.7D79 Q84 S85 P194D79-D81 VanDerWaalsContact C-N 3.34Å; D79-D81 PolarHBondContact O-N 2.93Å; D79-D81 WeakPolarHBondContact OD1-CB 3.44Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D81-Q84 PolarHBondContact O-N 3.45Å; D81-S85 VanDerWaalsContact O-CB 3.23Å; D81-S85 WeakPolarHBondContact O-CB 3.4Å; D81-S85 PolarHBondContact O-N 2.94Å; D81-S85 PolarHBondContact O-OG 2.78Å; D81-P194 HydrophobicContact CB-CB 3.8Å; D81-P194 HydrophobicContact CB-CG 4.12Å
82F94.6Very high93.5Very high0 Ų034.2 Ų34.20%017%0.168CC..Hα-helixtrans-61.5-48.4170.9173.1-109.2000112.4L77 D79 Q84 S85 A86 V87 V92 L109 I182 L192 P194 L195L77-F82 HydrophobicContact CB-CE1 4.36Å; L77-F82 HydrophobicContact CD2-CE1 3.97Å; L77-F82 HydrophobicContact CD2-CZ 4.14Å; L77-F82 WeakPolarHBondContact O-CD1 3.28Å; D79-F82 HydrophobicContact CB-CB 4.03Å; D79-F82 PolarHBondContact O-N 3Å; D79-F82 PolarHBondContact OD1-N 3.42Å; F82-Q84 VanDerWaalsContact C-N 3.3Å; F82-Q84 PolarHBondContact O-N 3.24Å; F82-S85 PolarHBondContact O-N 2.81Å; F82-S85 PolarHBondContact O-OG 2.52Å; F82-A86 HydrophobicContact CD2-CB 3.88Å; F82-A86 HydrophobicContact CE2-CB 3.67Å; F82-A86 HydrophobicContact CZ-CB 4.36Å; F82-A86 WeakPolarHBondContact O-CB 3.22Å; F82-A86 PolarHBondContact O-N 2.82Å; F82-V87 HydrophobicContact CD1-CG2 4.33Å; F82-V87 HydrophobicContact CE1-CG2 3.79Å; F82-V87 HydrophobicContact CZ-CG2 4.16Å; F82-V92 HydrophobicContact CZ-CG1 4.3Å; F82-L109 HydrophobicContact CE1-CD2 4.31Å; F82-L109 HydrophobicContact CZ-CD2 4.09Å; F82-I182 HydrophobicContact CE2-CD1 4.13Å; F82-I182 HydrophobicContact CZ-CD1 4.04Å; F82-L192 HydrophobicContact CE2-CD2 3.8Å; F82-P194 HydrophobicContact CB-CB 4.38Å; F82-L195 HydrophobicContact CB-CB 4.44Å; F82-L195 HydrophobicContact CD2-CB 3.6Å; F82-L195 HydrophobicContact CD2-CD2 4.14Å; F82-L195 HydrophobicContact CD2-CG 4.4Å; F82-L195 HydrophobicContact CE2-CB 4.08Å; F82-L195 HydrophobicContact CE2-CD2 3.81Å; F82-L195 HydrophobicContact CG-CB 4.12Å; F82-L195 HydrophobicContact CZ-CD2 4.11Å
83L93.8Very high93.3Very high1 Ų134.4 Ų34.41%0.00517%0.169CC..Iπ-helixtrans-57.9-46177.5-71.4174.2000110.9D79 K80 V87 Y88 L151 P158 Y163D79-L83 WeakPolarHBondContact O-CB 3.47Å; D79-L83 VanDerWaalsContact O-CG 3.23Å; D79-L83 WeakPolarHBondContact O-CG 3.28Å; D79-L83 PolarHBondContact O-N 3.34Å; K80-L83 PolarHBondContact O-N 3.17Å; L83-V87 HydrophobicContact CD2-CB 4.12Å; L83-V87 HydrophobicContact CD2-CG1 4.37Å; L83-V87 HydrophobicContact CD2-CG2 3.89Å; L83-V87 WeakPolarHBondContact O-CB 3.31Å; L83-V87 PolarHBondContact O-N 2.8Å; L83-Y88 HydrophobicContact CB-CE2 4.11Å; L83-Y88 WeakPolarHBondContact O-CD2 3.48Å; L83-Y88 VanDerWaalsContact O-CG 3.27Å; L83-Y88 PolarHBondContact O-N 3.41Å; L83-L151 HydrophobicContact CD2-CB 4.44Å; L83-L151 HydrophobicContact CD2-CD1 4.21Å; L83-P158 HydrophobicContact CD1-CG 4.16Å; L83-Y163 HydrophobicContact CD1-CE2 4.25Å
84Q92.8Very high93.2Very high124 Ų12433.4 Ų33.458%0.57916%0.162SC*.Iπ-helixtrans-70-37.5-177.8-170.3173.3-5.200113.5K80 D81 F82 Y88 Q89K80-Q84 WeakPolarHBondContact O-CB 3.35Å; K80-Q84 PolarHBondContact O-N 2.8Å; D81-Q84 PolarHBondContact O-N 3.45Å; F82-Q84 VanDerWaalsContact C-N 3.3Å; F82-Q84 PolarHBondContact O-N 3.24Å; Q84-Y88 HydrophobicContact CB-CD2 4.48Å; Q84-Q89 WeakPolarHBondContact O-CG 3.48Å
85S92.5Very high93.2Very high33 Ų3333.5 Ų33.523%0.23116%0.162CC..Iπ-helixtrans-88.9-28.2-174.559.90000114.7D81 F82 S191 P194D81-S85 VanDerWaalsContact O-CB 3.23Å; D81-S85 WeakPolarHBondContact O-CB 3.4Å; D81-S85 PolarHBondContact O-N 2.94Å; D81-S85 PolarHBondContact O-OG 2.78Å; F82-S85 PolarHBondContact O-N 2.81Å; F82-S85 PolarHBondContact O-OG 2.52Å; S85-S191 WeakPolarHBondContact O-CB 3.35Å; S85-S191 PolarHBondContact O-OG 2.99Å; S85-S191 PolarHBondContact OG-O 2.83Å; S85-S191 VanDerWaalsContact OG-O 3.09Å; S85-P194 WeakPolarHBondContact OG-CG 3.23Å
86A92.3Very high93.2Very high0 Ų031 Ų310%015%0.154CC..Iπ-helixtrans-115.1-54.5-175.200000111.9F82 G90 V92 H184 L192F82-A86 HydrophobicContact CD2-CB 3.88Å; F82-A86 HydrophobicContact CE2-CB 3.67Å; F82-A86 HydrophobicContact CZ-CB 4.36Å; F82-A86 WeakPolarHBondContact O-CB 3.22Å; F82-A86 PolarHBondContact O-N 2.82Å; A86-G90 PolarHBondContact O-N 2.87Å; A86-V92 HydrophobicContact CB-CG2 3.63Å; A86-H184 PolarHBondContact O-NE2 2.97Å; A86-L192 HydrophobicContact CB-CD2 4.1Å
87V91.3Very high93.1Very high0 Ų033.3 Ų33.30%016%0.163CC..Iπ-helixtrans-72.7-39.1-173-1780000111.8F82 L83 V92 H115 L151 R152F82-V87 HydrophobicContact CD1-CG2 4.33Å; F82-V87 HydrophobicContact CE1-CG2 3.79Å; F82-V87 HydrophobicContact CZ-CG2 4.16Å; L83-V87 HydrophobicContact CD2-CB 4.12Å; L83-V87 HydrophobicContact CD2-CG1 4.37Å; L83-V87 HydrophobicContact CD2-CG2 3.89Å; L83-V87 WeakPolarHBondContact O-CB 3.31Å; L83-V87 PolarHBondContact O-N 2.8Å; V87-V92 HydrophobicContact CG2-CG2 4.13Å; V87-H115 HydrophobicContact CG1-CB 3.85Å; V87-H115 PolarHBondContact O-CE1 3.45Å; V87-H115 VanDerWaalsContact O-CE1 3.28Å; V87-H115 PolarHBondContact O-ND1 3.21Å; V87-L151 HydrophobicContact CG1-CB 4.17Å; V87-L151 HydrophobicContact CG1-CD1 4.24Å; V87-R152 PolarHBondContact O-NH2 3.41Å
88Y90.8Very high92.9Very high72 Ų7242.6 Ų42.628%0.28220%0.198SC..SBendtrans-85.3-20.3-179.9-58.3-20.9000113.1L83 Q84 L151 R152L83-Y88 HydrophobicContact CB-CE2 4.11Å; L83-Y88 WeakPolarHBondContact O-CD2 3.48Å; L83-Y88 VanDerWaalsContact O-CG 3.27Å; L83-Y88 PolarHBondContact O-N 3.41Å; Q84-Y88 HydrophobicContact CB-CD2 4.48Å; Y88-L151 WeakPolarHBondContact CE1-O 3.47Å; Y88-L151 PolarHBondContact OH-O 2.89Å; Y88-R152 HydrophobicContact CD1-CG 4.02Å; Y88-R152 HydrophobicContact CE1-CG 3.97Å; Y88-R152 PolarHBondContact O-NH2 2.9Å; Y88-R152 VanDerWaalsContact O-NH2 3.16Å
89Q88.4Confident92.6Very high136 Ų13643.3 Ų43.364%0.63620%0.203SC*.SBendtrans-11423.5-171.8-62.6-68.7-1.700114.6Q84Q84-Q89 WeakPolarHBondContact O-CG 3.48Å
90G88.8Confident92.3Very high13 Ų1348.8 Ų48.813%0.13422%0.221CC..SBendtrans163.6-154.3176.700000111.8A86 H115 H184A86-G90 PolarHBondContact O-N 2.87Å; G90-H115 PolarHBondContact O-CE1 3.44Å; G90-H184 WeakPolarHBondContact CA-NE2 3.27Å
91S89.9Confident91.6Very high6 Ų643.9 Ų43.94%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-113.3113.7-177.8-41.90000109.2N112 H184 H185S91-N112 WeakPolarHBondContact CB-OD1 3.49Å; S91-N112 PolarHBondContact OG-ND2 3.18Å; S91-N112 VanDerWaalsContact OG-ND2 3.11Å; S91-N112 PolarHBondContact OG-OD1 3.11Å; S91-H184 VanDerWaalsContact O-CA 3.3Å; S91-H184 WeakPolarHBondContact O-CA 3.27Å; S91-H184 PolarHBondContact O-CD2 2.81Å; S91-H185 PolarHBondContact N-O 2.98Å; S91-H185 PolarHBondContact O-N 3.1Å
92V93.4Very high90.9Very high1 Ų142.9 Ų42.91%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-95.2128.7171.9-172.90000108.9F82 A86 V87 L109 M110 I182 L192F82-V92 HydrophobicContact CZ-CG1 4.3Å; A86-V92 HydrophobicContact CB-CG2 3.63Å; V87-V92 HydrophobicContact CG2-CG2 4.13Å; V92-L109 HydrophobicContact CB-CD2 3.87Å; V92-L109 HydrophobicContact CB-CG 4.27Å; V92-L109 HydrophobicContact CG1-CD2 3.43Å; V92-L109 VanDerWaalsContact CG1-CD2 3.43Å; V92-L109 HydrophobicContact CG1-CG 4.15Å; V92-M110 CarbonylContact O-C 3.49Å; V92-I182 HydrophobicContact CG1-CD1 3.72Å; V92-I182 HydrophobicContact CG1-CG1 3.77Å; V92-L192 HydrophobicContact CG1-CD2 4.44Å
93Y93.6Very high90.3Very high4 Ų448.5 Ų48.52%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-109.1109.5172.8-61.6-103.4000106.9R37 P111 I182 S183 H185 L275 P276 Q277R37-Y93 WeakPolarHBondContact O-CD1 3.28Å; Y93-P111 HydrophobicContact CD1-CB 3.78Å; Y93-P111 HydrophobicContact CD1-CG 3.59Å; Y93-P111 HydrophobicContact CD2-CB 4.19Å; Y93-P111 HydrophobicContact CE1-CB 3.43Å; Y93-P111 VanDerWaalsContact CE1-CB 3.43Å; Y93-P111 HydrophobicContact CE1-CG 3.3Å; Y93-P111 HydrophobicContact CE2-CB 3.87Å; Y93-P111 HydrophobicContact CG-CB 4.15Å; Y93-P111 HydrophobicContact CG-CG 4.38Å; Y93-P111 VanDerWaalsContact CZ-CB 3.46Å; Y93-I182 CarbonylContact O-C 3.5Å; Y93-I182 VanDerWaalsContact O-CA 3.27Å; Y93-I182 WeakPolarHBondContact O-CA 3.41Å; Y93-S183 PolarHBondContact N-O 2.82Å; Y93-S183 PolarHBondContact O-N 2.9Å; Y93-H185 HydrophobicContact CE2-CB 4.34Å; Y93-L275 HydrophobicContact CD1-CD2 4.1Å; Y93-L275 HydrophobicContact CD2-CD2 3.47Å; Y93-L275 VanDerWaalsContact CD2-CD2 3.47Å; Y93-L275 HydrophobicContact CE1-CD2 4.43Å; Y93-L275 HydrophobicContact CE2-CD2 3.86Å; Y93-L275 HydrophobicContact CG-CD2 3.62Å; Y93-P276 HydrophobicContact CE1-CG 3.83Å; Y93-Q277 PolarHBondContact OH-NE2 3.23Å; Y93-Q277 PolarHBondContact OH-OE1 2.72Å
94G94.2Very high90.2Very high0 Ų051.6 Ų51.60%024%0.237CC..EExtended strand (participates in β ladder)trans-129136.8179.900000112F38 A108 L109 F180 L181F38-G94 VanDerWaalsContact CE1-O 3.3Å; F38-G94 WeakPolarHBondContact CE1-O 3.34Å; F38-G94 VanDerWaalsContact CZ-O 3.3Å; F38-G94 WeakPolarHBondContact CZ-O 3.41Å; G94-A108 CarbonylContact O-C 3.53Å; G94-A108 VanDerWaalsContact O-CA 3.3Å; G94-A108 WeakPolarHBondContact O-CA 3.46Å; G94-L109 PolarHBondContact N-O 2.88Å; G94-L109 PolarHBondContact O-N 2.88Å; G94-F180 VanDerWaalsContact CA-CE1 3.45Å; G94-L181 CarbonylContact C-O 3.59Å; G94-L181 VanDerWaalsContact CA-O 3.26Å; G94-L181 WeakPolarHBondContact CA-O 3.29Å
95L94.4Very high90.1Very high3 Ų347.1 Ų47.12%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-147.6137.1178.8-175.265.1000111.3F38 A108 L181 F306 P310F38-L95 HydrophobicContact CD1-CB 4.19Å; F38-L95 HydrophobicContact CE1-CB 4.12Å; F38-L95 HydrophobicContact CG-CD2 4.48Å; L95-A108 HydrophobicContact CD1-CB 3.97Å; L95-L181 PolarHBondContact N-O 2.81Å; L95-L181 PolarHBondContact O-N 3.32Å; L95-F306 HydrophobicContact CD2-CB 3.73Å; L95-F306 HydrophobicContact CD2-CD1 3.8Å; L95-F306 HydrophobicContact CD2-CD2 3.94Å; L95-F306 HydrophobicContact CD2-CE1 4.38Å; L95-F306 HydrophobicContact CD2-CE2 4.49Å; L95-F306 HydrophobicContact CD2-CG 3.54Å; L95-P310 VanDerWaalsContact CD1-CD 3.46Å; L95-P310 HydrophobicContact CD1-CG 4.43Å
96S95.3Very high90.1Very high7 Ų745.5 Ų45.55%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-60.2138.317161.40000111.2T99 C106 V107 M178S96-T99 WeakPolarHBondContact CB-OG1 3.43Å; S96-T99 PolarHBondContact OG-OG1 3.1Å; S96-C106 WeakPolarHBondContact OG-CA 3.22Å; S96-V107 PolarHBondContact N-O 3.11Å; S96-V107 PolarHBondContact OG-N 2.84Å; S96-V107 VanDerWaalsContact OG-N 3.11Å; S96-M178 WeakPolarHBondContact CB-SD 3.47Å
97F94.4Very high90.2Very high61 Ų6145.5 Ų45.527%0.26821%0.206SC..SBendtrans-111.8138.3-173-171.2-123.1000111.2L68 T99 D179 L181L68-F97 HydrophobicContact CD1-CB 4.19Å; L68-F97 HydrophobicContact CD1-CD1 3.63Å; L68-F97 HydrophobicContact CD1-CE1 4.33Å; L68-F97 HydrophobicContact CD1-CG 4.13Å; L68-F97 HydrophobicContact CD2-CD1 4.36Å; L68-F97 HydrophobicContact CD2-CE1 4.31Å; F97-T99 PolarHBondContact O-N 2.96Å; F97-D179 HydrophobicContact CB-CB 4.12Å; F97-D179 HydrophobicContact CD1-CB 4.46Å; F97-D179 PolarHBondContact N-O 2.86Å; F97-L181 HydrophobicContact CB-CG 4.05Å; F97-L181 HydrophobicContact CD2-CD1 3.54Å; F97-L181 HydrophobicContact CD2-CD2 4.37Å; F97-L181 HydrophobicContact CD2-CG 3.86Å; F97-L181 HydrophobicContact CE2-CD1 4.04Å; F97-L181 HydrophobicContact CG-CD1 4.22Å; F97-L181 HydrophobicContact CG-CD2 4.42Å; F97-L181 HydrophobicContact CG-CG 4.02Å
98R90.9Very high90.3Very high195 Ų19545.5 Ų45.574%0.73621%0.206SC*.SBendtrans57.927.9-177.7-61.1172.5173.5-177-3.4114.2
99T89.5Confident90.4Very high17 Ų1742.1 Ų42.110%0.10419%0.193CC..  trans-106.7124.7172.652.90000108.4S96 F97 D104 C106 D308S96-T99 WeakPolarHBondContact CB-OG1 3.43Å; S96-T99 PolarHBondContact OG-OG1 3.1Å; F97-T99 PolarHBondContact O-N 2.96Å; T99-D104 WeakPolarHBondContact CA-OD2 3.44Å; T99-D104 HydrophobicContact CG2-CB 4.39Å; T99-C106 VanDerWaalsContact CB-SG 3.59Å; T99-C106 PolarHBondContact OG1-SG 3.22Å; T99-D308 WeakPolarHBondContact O-CB 3.16Å
100R86.8Confident90.3Very high147 Ų14736 Ų3656%0.55517%0.165SC*.  trans-84.4125.3177.6-68.8169.3178.5-176.60.9109.9D102 E103 D104 D308R100-D102 PolarHBondContact O-N 3.29Å; R100-D102 VanDerWaalsContact O-N 3.12Å; R100-E103 HydrophobicContact CB-CB 4.18Å; R100-E103 HydrophobicContact CB-CG 4.49Å; R100-E103 WeakPolarHBondContact CD-OE2 3.37Å; R100-E103 IonicContact CZ-OE2 3.8Å; R100-E103 IonicContact NE-OE2 3.47Å; R100-E103 IonicContact NH1-OE1 2.67Å; R100-E103 IonicContact NH1-OE2 3.67Å; R100-E103 PolarHBondContact NH1-OE2 2.73Å; R100-E103 PolarHBondContact O-N 2.88Å; R100-D104 PolarHBondContact N-OD2 2.9Å; R100-D104 PolarHBondContact O-N 2.78Å; R100-D308 WeakPolarHBondContact CA-OD1 3.44Å
101I82.1Confident90Very high1 Ų135.7 Ų35.71%0.00516%0.16CC..THydrogen-bonded Turntrans-62.3-26.8-172.6-168.461.2000114.3C106 S120 R144 D308 P310 I320I101-C106 HydrophobicContact CD1-CB 3.57Å; I101-S120 WeakPolarHBondContact CD1-OG 2.94Å; I101-R144 PolarHBondContact O-NH2 2.61Å; I101-D308 HydrophobicContact CB-CB 4.48Å; I101-D308 PolarHBondContact N-OD1 3.5Å; I101-P310 HydrophobicContact CD1-CB 3.8Å; I101-I320 HydrophobicContact CD1-CD1 4.1Å; I101-I320 HydrophobicContact CG1-CD1 3.86Å; I101-I320 HydrophobicContact CG1-CG1 3.97Å; I101-I320 HydrophobicContact CG1-CG2 4.19Å; I101-I320 HydrophobicContact CG2-CG2 4.33Å
102D78.8Confident88.7Confident80 Ų8039.1 Ų39.143%0.42818%0.178SC..THydrogen-bonded Turntrans-82.2-21.1180-60.8-39.7000112.6R100 I320R100-D102 PolarHBondContact O-N 3.29Å; R100-D102 VanDerWaalsContact O-N 3.12Å; D102-I320 WeakPolarHBondContact OD1-CG2 3.38Å
103E83.4Confident87.2Confident118 Ų11842.7 Ų42.755%0.55122%0.216SC*.THydrogen-bonded Turntrans-117.6-48.9-170.6-61.2179164.100111.9R100R100-E103 HydrophobicContact CB-CB 4.18Å; R100-E103 HydrophobicContact CB-CG 4.49Å; R100-E103 WeakPolarHBondContact CD-OE2 3.37Å; R100-E103 IonicContact CZ-OE2 3.8Å; R100-E103 IonicContact NE-OE2 3.47Å; R100-E103 IonicContact NH1-OE1 2.67Å; R100-E103 IonicContact NH1-OE2 3.67Å; R100-E103 PolarHBondContact NH1-OE2 2.73Å; R100-E103 PolarHBondContact O-N 2.88Å
104D89.9Confident85.8Confident65 Ų6546.6 Ų46.635%0.34823%0.233SC..SBendtrans-100163.1-169.2-59.2-51000112.7T99 R100 C106 R144T99-D104 WeakPolarHBondContact CA-OD2 3.44Å; T99-D104 HydrophobicContact CG2-CB 4.39Å; R100-D104 PolarHBondContact N-OD2 2.9Å; R100-D104 PolarHBondContact O-N 2.78Å; D104-C106 PolarHBondContact O-N 2.71Å; D104-R144 PolarHBondContact O-NH1 2.84Å; D104-R144 PolarHBondContact O-NH2 2.72Å
105N92.4Very high84.9Confident30 Ų3046.8 Ų46.816%0.1623%0.233CC..  trans-72122168.2-67.2-58.8000109.8S120 L121 D122 L176N105-S120 WeakPolarHBondContact CA-O 3.16Å; N105-L121 HydrophobicContact CB-CD2 4.13Å; N105-L121 WeakPolarHBondContact OD1-CA 3.21Å; N105-D122 PolarHBondContact ND2-OD2 3.29Å; N105-D122 PolarHBondContact OD1-N 3.49Å; N105-D122 PolarHBondContact OD1-OD2 3.26Å; N105-L176 HydrophobicContact CB-CD1 4.39Å
106C92.5Very high84.6Confident0 Ų048 Ų480%024%0.239CC..EExtended strand (participates in β ladder)trans-115.3144.4-179.4-63.80000110.9S96 T99 I101 D104 S120 P310S96-C106 WeakPolarHBondContact OG-CA 3.22Å; T99-C106 VanDerWaalsContact CB-SG 3.59Å; T99-C106 PolarHBondContact OG1-SG 3.22Å; I101-C106 HydrophobicContact CD1-CB 3.57Å; D104-C106 PolarHBondContact O-N 2.71Å; C106-S120 PolarHBondContact N-O 2.72Å; C106-S120 PolarHBondContact O-N 3.49Å; C106-P310 HydrophobicContact CB-CB 4.43Å; C106-P310 HydrophobicContact CB-CG 4.42Å
107V93.6Very high84.5Confident0 Ų047.7 Ų47.70%024%0.237CC..EExtended strand (participates in β ladder)trans-135.3136.1-179.5178.50000110.2L74 S96 L117 V118 F119 M178 F180L74-V107 HydrophobicContact CD1-CB 4.36Å; L74-V107 HydrophobicContact CD1-CG1 4.39Å; L74-V107 HydrophobicContact CD1-CG2 3.68Å; L74-V107 HydrophobicContact CD2-CG1 4.46Å; S96-V107 PolarHBondContact N-O 3.11Å; S96-V107 PolarHBondContact OG-N 2.84Å; S96-V107 VanDerWaalsContact OG-N 3.11Å; V107-L117 HydrophobicContact CG1-CD1 3.65Å; V107-L117 HydrophobicContact CG1-CG 4.38Å; V107-V118 CarbonylContact C-O 3.52Å; V107-V118 VanDerWaalsContact CA-O 3.31Å; V107-V118 WeakPolarHBondContact CA-O 3.28Å; V107-F119 HydrophobicContact CG1-CD1 4.29Å; V107-F119 HydrophobicContact CG1-CE1 4.32Å; V107-F119 HydrophobicContact CG2-CB 4.41Å; V107-F119 HydrophobicContact CG2-CD1 3.46Å; V107-F119 VanDerWaalsContact CG2-CD1 3.46Å; V107-F119 HydrophobicContact CG2-CE1 4.01Å; V107-F119 HydrophobicContact CG2-CG 4.18Å; V107-M178 HydrophobicContact CB-CE 4.39Å; V107-M178 HydrophobicContact CB-SD 3.82Å; V107-M178 HydrophobicContact CG2-CE 3.82Å; V107-M178 HydrophobicContact CG2-SD 3.93Å; V107-F180 HydrophobicContact CB-CE2 4.29Å; V107-F180 HydrophobicContact CG1-CE2 4.22Å
108A92.8Very high84.4Confident0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-127.5139.6173.500000110.9F38 G94 L95 V118 P310 V311F38-A108 HydrophobicContact CE2-CB 3.88Å; F38-A108 HydrophobicContact CZ-CB 3.9Å; G94-A108 CarbonylContact O-C 3.53Å; G94-A108 VanDerWaalsContact O-CA 3.3Å; G94-A108 WeakPolarHBondContact O-CA 3.46Å; L95-A108 HydrophobicContact CD1-CB 3.97Å; A108-V118 PolarHBondContact N-O 3.21Å; A108-V118 PolarHBondContact O-N 2.86Å; A108-P310 HydrophobicContact CB-CG 3.48Å; A108-P310 VanDerWaalsContact CB-CG 3.48Å; A108-V311 HydrophobicContact CB-CG2 4.11Å
109L92.4Very high84.4Confident1 Ų135.7 Ų35.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-106.2109.9168.6179.357.4000107.9F82 V92 G94 L117 L151 F180F82-L109 HydrophobicContact CE1-CD2 4.31Å; F82-L109 HydrophobicContact CZ-CD2 4.09Å; V92-L109 HydrophobicContact CB-CD2 3.87Å; V92-L109 HydrophobicContact CB-CG 4.27Å; V92-L109 HydrophobicContact CG1-CD2 3.43Å; V92-L109 VanDerWaalsContact CG1-CD2 3.43Å; V92-L109 HydrophobicContact CG1-CG 4.15Å; G94-L109 PolarHBondContact N-O 2.88Å; G94-L109 PolarHBondContact O-N 2.88Å; L109-L117 HydrophobicContact CB-CD1 4.3Å; L109-L117 HydrophobicContact CD1-CD1 4.37Å; L109-L151 HydrophobicContact CD1-CD1 3.53Å; L109-F180 HydrophobicContact CB-CZ 4.41Å
110M87.1Confident84.5Confident7 Ų735.1 Ų35.13%0.03419%0.187CC..  trans-82.9139-170.6-66179.460.100112.2R37 V92 H116 V118 V311R37-M110 VanDerWaalsContact NH2-CE 3.34Å; V92-M110 CarbonylContact O-C 3.49Å; M110-H116 HydrophobicContact CB-CB 4.35Å; M110-H116 HydrophobicContact CG-CB 4.43Å; M110-H116 PolarHBondContact N-O 3.07Å; M110-H116 HydrophobicContact SD-CB 3.98Å; M110-V118 HydrophobicContact CG-CG2 4.18Å; M110-V118 HydrophobicContact SD-CG2 3.51Å; M110-V118 VanDerWaalsContact SD-CG2 3.51Å; M110-V311 HydrophobicContact CE-CG1 3.72Å; M110-V311 HydrophobicContact CG-CG2 4Å; M110-V311 HydrophobicContact SD-CB 4.44Å; M110-V311 HydrophobicContact SD-CG1 3.9Å; M110-V311 HydrophobicContact SD-CG2 3.68Å
111P81.6Confident84.7Confident7 Ų728.1 Ų28.15%0.04516%0.16CC..  trans-75.7152.4172.436.1-40.7000111.2R37 Y93R37-P111 HydrophobicContact CB-CG 4.02Å; R37-P111 HydrophobicContact CG-CG 4.22Å; R37-P111 PolarHBondContact NH1-O 2.79Å; R37-P111 VanDerWaalsContact NH1-O 3.12Å; Y93-P111 HydrophobicContact CD1-CB 3.78Å; Y93-P111 HydrophobicContact CD1-CG 3.59Å; Y93-P111 HydrophobicContact CD2-CB 4.19Å; Y93-P111 HydrophobicContact CE1-CB 3.43Å; Y93-P111 VanDerWaalsContact CE1-CB 3.43Å; Y93-P111 HydrophobicContact CE1-CG 3.3Å; Y93-P111 HydrophobicContact CE2-CB 3.87Å; Y93-P111 HydrophobicContact CG-CB 4.15Å; Y93-P111 HydrophobicContact CG-CG 4.38Å; Y93-P111 VanDerWaalsContact CZ-CB 3.46Å
112N64.6Low85.2Confident77 Ų7730.2 Ų30.241%0.41217%0.171SC..SBendtrans48.6144.5165.2-69.9-12.5000119.6S91 K114S91-N112 WeakPolarHBondContact CB-OD1 3.49Å; S91-N112 PolarHBondContact OG-ND2 3.18Å; S91-N112 VanDerWaalsContact OG-ND2 3.11Å; S91-N112 PolarHBondContact OG-OD1 3.11Å; N112-K114 PolarHBondContact O-N 3.15Å
113G61.7Low85.8Confident77 Ų7731.1 Ų31.179%0.79417%0.172SC*.SBendtrans77.3-36.2170.500000115.9
114K62.8Low86.2Confident86 Ų8631.1 Ų31.137%0.37418%0.175SC..SBendtrans-142.2-1.9-179.5-58.1-174.9179.6163.40116.5N112 H116 D315N112-K114 PolarHBondContact O-N 3.15Å; K114-H116 WeakPolarHBondContact CB-CE1 3.42Å; K114-H116 WeakPolarHBondContact CB-ND1 3.3Å; K114-H116 WeakPolarHBondContact CD-CE1 3.35Å; K114-H116 PolarHBondContact O-CD2 3.36Å; K114-H116 PolarHBondContact O-N 3.29Å; K114-D315 WeakPolarHBondContact CE-OD2 3.08Å; K114-D315 IonicContact NZ-OD2 3.51Å; K114-D315 PolarHBondContact NZ-OD2 3.4Å
115H76.4Confident86.4Confident3 Ų328.2 Ų28.21%0.01416%0.161CC..  trans32.551.7177.2-63.3-83.1000114.3V87 G90 L151 R152V87-H115 HydrophobicContact CG1-CB 3.85Å; V87-H115 PolarHBondContact O-CE1 3.45Å; V87-H115 VanDerWaalsContact O-CE1 3.28Å; V87-H115 PolarHBondContact O-ND1 3.21Å; G90-H115 PolarHBondContact O-CE1 3.44Å; H115-L151 WeakPolarHBondContact O-CB 3.47Å; H115-L151 WeakPolarHBondContact O-CG 3.34Å; H115-L151 PolarHBondContact O-N 3.36Å; H115-R152 HydrophobicContact CB-CG 4.14Å; H115-R152 WeakPolarHBondContact CD2-CD 3.49Å; H115-R152 PolarHBondContact CD2-NE 3.07Å; H115-R152 PolarHBondContact NE2-NE 3.07Å; H115-R152 PolarHBondContact NE2-NH2 2.73Å; H115-R152 VanDerWaalsContact NE2-NH2 3.16Å
116H88.7Confident86.5Confident30 Ų3028.4 Ų28.414%0.13916%0.16CC..EExtended strand (participates in β ladder)trans-82.4133.8-172.8-69.8149.9000110.4M110 K114 V118 T148 V149M110-H116 HydrophobicContact CB-CB 4.35Å; M110-H116 HydrophobicContact CG-CB 4.43Å; M110-H116 PolarHBondContact N-O 3.07Å; M110-H116 HydrophobicContact SD-CB 3.98Å; K114-H116 WeakPolarHBondContact CB-CE1 3.42Å; K114-H116 WeakPolarHBondContact CB-ND1 3.3Å; K114-H116 WeakPolarHBondContact CD-CE1 3.35Å; K114-H116 PolarHBondContact O-CD2 3.36Å; K114-H116 PolarHBondContact O-N 3.29Å; H116-V118 HydrophobicContact CB-CG2 4Å; H116-T148 HydrophobicContact CB-CG2 3.91Å; H116-V149 CarbonylContact C-O 3.58Å; H116-V149 VanDerWaalsContact CA-O 3.27Å; H116-V149 WeakPolarHBondContact CA-O 3.43Å
117L92.3Very high86.6Confident0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-91.8110.4160.1-171.263.4000107.8L77 V107 L109 F119 V149 L151 L166L77-L117 HydrophobicContact CD1-CD1 3.95Å; V107-L117 HydrophobicContact CG1-CD1 3.65Å; V107-L117 HydrophobicContact CG1-CG 4.38Å; L109-L117 HydrophobicContact CB-CD1 4.3Å; L109-L117 HydrophobicContact CD1-CD1 4.37Å; L117-F119 HydrophobicContact CB-CE2 4.3Å; L117-F119 HydrophobicContact CD2-CE1 4.44Å; L117-F119 HydrophobicContact CD2-CE2 3.68Å; L117-F119 HydrophobicContact CD2-CZ 3.41Å; L117-F119 VanDerWaalsContact CD2-CZ 3.41Å; L117-F119 HydrophobicContact CG-CD2 4.42Å; L117-F119 HydrophobicContact CG-CE2 3.59Å; L117-F119 HydrophobicContact CG-CZ 3.7Å; L117-V149 PolarHBondContact N-O 2.83Å; L117-V149 PolarHBondContact O-N 2.84Å; L117-L151 HydrophobicContact CB-CD1 4.26Å; L117-L151 HydrophobicContact CB-CD2 4.21Å; L117-L151 HydrophobicContact CB-CG 4.24Å; L117-L166 HydrophobicContact CD2-CD2 4.48Å
118V91.4Very high86.6Confident3 Ų337.1 Ų37.12%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-106.2126.2-177.2-177.80000109.1V107 A108 M110 H116 E146 V147 T148 V311V107-V118 CarbonylContact C-O 3.52Å; V107-V118 VanDerWaalsContact CA-O 3.31Å; V107-V118 WeakPolarHBondContact CA-O 3.28Å; A108-V118 PolarHBondContact N-O 3.21Å; A108-V118 PolarHBondContact O-N 2.86Å; M110-V118 HydrophobicContact CG-CG2 4.18Å; M110-V118 HydrophobicContact SD-CG2 3.51Å; M110-V118 VanDerWaalsContact SD-CG2 3.51Å; H116-V118 HydrophobicContact CB-CG2 4Å; V118-E146 HydrophobicContact CG1-CG 4.21Å; V118-V147 CarbonylContact C-O 3.44Å; V118-V147 WeakPolarHBondContact CA-O 3.46Å; V118-T148 HydrophobicContact CG2-CG2 4.18Å; V118-V311 HydrophobicContact CB-CG2 4.1Å; V118-V311 HydrophobicContact CG1-CG2 4.15Å; V118-V311 HydrophobicContact CG2-CG2 4.07Å
119F91.8Very high86.7Confident0 Ų037.2 Ų37.20%021%0.206CC..EExtended strand (participates in β ladder)trans-110.3129.8173.5-52.5-106.2000108.9L74 V107 L117 L121 E146 V147 V149 L166 L170L74-F119 HydrophobicContact CD1-CD1 4.45Å; L74-F119 HydrophobicContact CD1-CE1 3.92Å; V107-F119 HydrophobicContact CG1-CD1 4.29Å; V107-F119 HydrophobicContact CG1-CE1 4.32Å; V107-F119 HydrophobicContact CG2-CB 4.41Å; V107-F119 HydrophobicContact CG2-CD1 3.46Å; V107-F119 VanDerWaalsContact CG2-CD1 3.46Å; V107-F119 HydrophobicContact CG2-CE1 4.01Å; V107-F119 HydrophobicContact CG2-CG 4.18Å; L117-F119 HydrophobicContact CB-CE2 4.3Å; L117-F119 HydrophobicContact CD2-CE1 4.44Å; L117-F119 HydrophobicContact CD2-CE2 3.68Å; L117-F119 HydrophobicContact CD2-CZ 3.41Å; L117-F119 VanDerWaalsContact CD2-CZ 3.41Å; L117-F119 HydrophobicContact CG-CD2 4.42Å; L117-F119 HydrophobicContact CG-CE2 3.59Å; L117-F119 HydrophobicContact CG-CZ 3.7Å; F119-L121 HydrophobicContact CB-CD1 4.01Å; F119-L121 HydrophobicContact CB-CD2 3.99Å; F119-L121 HydrophobicContact CB-CG 3.76Å; F119-L121 HydrophobicContact CD1-CD2 4.42Å; F119-E146 CarbonylContact O-C 3.52Å; F119-E146 VanDerWaalsContact O-CA 3.3Å; F119-E146 WeakPolarHBondContact O-CA 3.3Å; F119-V147 HydrophobicContact CB-CB 4.16Å; F119-V147 HydrophobicContact CD2-CB 4.15Å; F119-V147 HydrophobicContact CD2-CG1 4.09Å; F119-V147 PolarHBondContact N-O 2.99Å; F119-V147 PolarHBondContact O-N 3.01Å; F119-V149 HydrophobicContact CE2-CG2 4.38Å; F119-L166 HydrophobicContact CE2-CD1 4.46Å; F119-L166 HydrophobicContact CZ-CD1 4.3Å; F119-L170 HydrophobicContact CE1-CD2 4.2Å; F119-L170 HydrophobicContact CZ-CD1 4.48Å
120S91.3Very high86.7Confident5 Ų539 Ų394%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-104.3112.8160.4-178.70000107.1I101 N105 C106 R144 I320I101-S120 WeakPolarHBondContact CD1-OG 2.94Å; N105-S120 WeakPolarHBondContact CA-O 3.16Å; C106-S120 PolarHBondContact N-O 2.72Å; C106-S120 PolarHBondContact O-N 3.49Å; S120-R144 VanDerWaalsContact C-NH2 3.34Å; S120-R144 PolarHBondContact O-NH2 3.16Å; S120-R144 PolarHBondContact OG-NH2 3.11Å; S120-I320 VanDerWaalsContact OG-CD1 3.26Å; S120-I320 WeakPolarHBondContact OG-CD1 3.34Å
121L91.6Very high86.9Confident0 Ų039.5 Ų39.50%023%0.227CC..EExtended strand (participates in β ladder)trans-117.9147.4-170.6-59.6172.9000111.2N105 F119 A125 F126 L129 R144 Y145 V147 L176N105-L121 HydrophobicContact CB-CD2 4.13Å; N105-L121 WeakPolarHBondContact OD1-CA 3.21Å; F119-L121 HydrophobicContact CB-CD1 4.01Å; F119-L121 HydrophobicContact CB-CD2 3.99Å; F119-L121 HydrophobicContact CB-CG 3.76Å; F119-L121 HydrophobicContact CD1-CD2 4.42Å; L121-A125 HydrophobicContact CB-CB 4.38Å; L121-A125 HydrophobicContact CD2-CB 4.33Å; L121-F126 HydrophobicContact CB-CB 4.16Å; L121-F126 HydrophobicContact CD1-CB 4.36Å; L121-F126 HydrophobicContact CD1-CD2 4.41Å; L121-L129 HydrophobicContact CD1-CD1 3.63Å; L121-L129 HydrophobicContact CD2-CD1 4.26Å; L121-R144 CarbonylContact O-C 3.56Å; L121-R144 WeakPolarHBondContact O-CA 3.48Å; L121-R144 PolarHBondContact O-NE 3.42Å; L121-Y145 PolarHBondContact N-O 3.07Å; L121-Y145 PolarHBondContact O-N 3.09Å; L121-V147 HydrophobicContact CD1-CG2 4.15Å; L121-L176 HydrophobicContact CD2-CD2 4.27Å
122D91.9Very high87.3Confident45 Ų4546.3 Ų46.324%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-67.8170.1159.86853.1000110.8N105 D124 A125 F126N105-D122 PolarHBondContact ND2-OD2 3.29Å; N105-D122 PolarHBondContact OD1-N 3.49Å; N105-D122 PolarHBondContact OD1-OD2 3.26Å; D122-D124 PolarHBondContact O-N 3.32Å; D122-D124 PolarHBondContact OD1-N 3.2Å; D122-A125 VanDerWaalsContact OD1-CB 3.29Å; D122-A125 WeakPolarHBondContact OD1-CB 3.05Å; D122-A125 PolarHBondContact OD1-N 3.31Å; D122-F126 VanDerWaalsContact O-CB 3.27Å; D122-F126 WeakPolarHBondContact O-CB 3.19Å; D122-F126 PolarHBondContact O-N 2.9Å
123K91Very high88.5Confident100 Ų10044.5 Ų44.544%0.43526%0.258SS..Hα-helixtrans-61.5-44.2-177.8-173.8-180173.9-169.80112.6F126 E127 Y145K123-F126 PolarHBondContact O-N 3.08Å; K123-E127 WeakPolarHBondContact CE-OE1 3.26Å; K123-E127 HydrophobicContact CG-CG 4.48Å; K123-E127 IonicContact NZ-OE1 3.85Å; K123-E127 WeakPolarHBondContact O-CB 3.47Å; K123-E127 WeakPolarHBondContact O-CG 3.3Å; K123-E127 PolarHBondContact O-N 2.7Å; K123-Y145 HydrophobicContact CB-CD2 4.45Å; K123-Y145 HydrophobicContact CB-CE2 3.82Å; K123-Y145 HydrophobicContact CG-CE2 3.86Å
124D92.9Very high89.7Confident117 Ų11746.8 Ų46.863%0.62624%0.243SC*.Hα-helixtrans-69.2-43.6-173.5-65.3-15.4000110.4D122 T128D122-D124 PolarHBondContact O-N 3.32Å; D122-D124 PolarHBondContact OD1-N 3.2Å; D124-T128 WeakPolarHBondContact O-CB 3.49Å; D124-T128 PolarHBondContact O-N 2.85Å; D124-T128 PolarHBondContact O-OG1 2.84Å
125A94.1Very high90.6Very high5 Ų546 Ų464%0.04125%0.246CC..Hα-helixtrans-64-41.8175.400000111.6L121 D122 L129 L174L121-A125 HydrophobicContact CB-CB 4.38Å; L121-A125 HydrophobicContact CD2-CB 4.33Å; D122-A125 VanDerWaalsContact OD1-CB 3.29Å; D122-A125 WeakPolarHBondContact OD1-CB 3.05Å; D122-A125 PolarHBondContact OD1-N 3.31Å; A125-L129 VanDerWaalsContact O-CB 3.28Å; A125-L129 WeakPolarHBondContact O-CB 3.27Å; A125-L129 VanDerWaalsContact O-CG 3.27Å; A125-L129 WeakPolarHBondContact O-CG 3.36Å; A125-L129 PolarHBondContact O-N 3.13Å; A125-L174 HydrophobicContact CB-CD2 3.77Å
126F94.2Very high90.5Very high34 Ų3446.1 Ų46.115%0.14925%0.248CC..Hα-helixtrans-62.1-50.6176.8176.6-107.1000112.2L121 D122 K123 T128 L129 G130 L131 Y145 V147L121-F126 HydrophobicContact CB-CB 4.16Å; L121-F126 HydrophobicContact CD1-CB 4.36Å; L121-F126 HydrophobicContact CD1-CD2 4.41Å; D122-F126 VanDerWaalsContact O-CB 3.27Å; D122-F126 WeakPolarHBondContact O-CB 3.19Å; D122-F126 PolarHBondContact O-N 2.9Å; K123-F126 PolarHBondContact O-N 3.08Å; F126-T128 PolarHBondContact O-N 3.36Å; F126-L129 PolarHBondContact O-N 2.87Å; F126-G130 PolarHBondContact O-N 3.33Å; F126-G130 VanDerWaalsContact O-N 3.09Å; F126-L131 WeakPolarHBondContact CE2-O 3.36Å; F126-Y145 HydrophobicContact CB-CD2 3.98Å; F126-Y145 HydrophobicContact CB-CG 3.94Å; F126-Y145 AromaticContact CD1-CD1 3.48Å; F126-Y145 HydrophobicContact CD1-CD1 3.48Å; F126-Y145 VanDerWaalsContact CD1-CD1 3.48Å; F126-Y145 HydrophobicContact CD1-CD2 4.02Å; F126-Y145 AromaticContact CD1-CE1 3.89Å; F126-Y145 HydrophobicContact CD1-CE1 3.89Å; F126-Y145 HydrophobicContact CD1-CE2 4.4Å; F126-Y145 AromaticContact CD1-CG 3.56Å; F126-Y145 HydrophobicContact CD1-CG 3.56Å; F126-Y145 HydrophobicContact CD2-CD1 4.39Å; F126-Y145 HydrophobicContact CD2-CG 4.1Å; F126-Y145 AromaticContact CE1-CD1 3.52Å; F126-Y145 HydrophobicContact CE1-CD1 3.52Å; F126-Y145 AromaticContact CE1-CE1 3.88Å; F126-Y145 HydrophobicContact CE1-CE1 3.88Å; F126-Y145 HydrophobicContact CE1-CG 4.06Å; F126-Y145 HydrophobicContact CE2-CD1 4.42Å; F126-Y145 AromaticContact CG-CD1 3.94Å; F126-Y145 HydrophobicContact CG-CD1 3.94Å; F126-Y145 HydrophobicContact CG-CD2 4.08Å; F126-Y145 AromaticContact CG-CG 3.58Å; F126-Y145 HydrophobicContact CG-CG 3.58Å; F126-Y145 HydrophobicContact CZ-CD1 4.01Å; F126-V147 HydrophobicContact CD2-CG2 3.73Å; F126-V147 HydrophobicContact CE2-CG2 3.66Å
127E93.8Very high89.3Confident114 Ų11454.9 Ų54.953%0.53328%0.279SS..Hα-helixtrans-65.4-38.3179.3-71-179.6178.200111.7K123 G130K123-E127 WeakPolarHBondContact CE-OE1 3.26Å; K123-E127 HydrophobicContact CG-CG 4.48Å; K123-E127 IonicContact NZ-OE1 3.85Å; K123-E127 WeakPolarHBondContact O-CB 3.47Å; K123-E127 WeakPolarHBondContact O-CG 3.3Å; K123-E127 PolarHBondContact O-N 2.7Å; E127-G130 PolarHBondContact O-N 3.18Å
128T95.2Very high87.5Confident69 Ų6955.3 Ų55.342%0.42328%0.282SS..Hα-helixtrans-67.8-42.3177.6-57.80000112.1D124 F126 G130 H173 L174D124-T128 WeakPolarHBondContact O-CB 3.49Å; D124-T128 PolarHBondContact O-N 2.85Å; D124-T128 PolarHBondContact O-OG1 2.84Å; F126-T128 PolarHBondContact O-N 3.36Å; T128-G130 VanDerWaalsContact C-N 3.31Å; T128-G130 PolarHBondContact O-N 3.12Å; T128-H173 HydrophobicContact CG2-CB 4.41Å; T128-H173 WeakPolarHBondContact O-CB 3.32Å; T128-L174 HydrophobicContact CG2-CB 4.07Å
129L94.2Very high85.4Confident2 Ų259.4 Ų59.41%0.0130%0.304CS..Hα-helixtrans-67.4-33.1178.2-77.7169.5000111.8L121 A125 F126 L131 A169 L170 L174L121-L129 HydrophobicContact CD1-CD1 3.63Å; L121-L129 HydrophobicContact CD2-CD1 4.26Å; A125-L129 VanDerWaalsContact O-CB 3.28Å; A125-L129 WeakPolarHBondContact O-CB 3.27Å; A125-L129 VanDerWaalsContact O-CG 3.27Å; A125-L129 WeakPolarHBondContact O-CG 3.36Å; A125-L129 PolarHBondContact O-N 3.13Å; F126-L129 PolarHBondContact O-N 2.87Å; L129-L131 VanDerWaalsContact C-N 3.29Å; L129-L131 HydrophobicContact CB-CD1 4.1Å; L129-L131 HydrophobicContact CB-CG 4.06Å; L129-L131 HydrophobicContact CD1-CD1 4.4Å; L129-L131 PolarHBondContact O-N 3.2Å; L129-A169 HydrophobicContact CD2-CB 3.97Å; L129-A169 WeakPolarHBondContact O-CB 3.4Å; L129-L170 HydrophobicContact CD2-CD2 3.98Å; L129-L174 HydrophobicContact CD1-CD2 4.14Å; L129-L174 HydrophobicContact CD2-CB 3.8Å; L129-L174 HydrophobicContact CD2-CD2 4.38Å; L129-L174 HydrophobicContact CG-CB 4.08Å; L129-L174 HydrophobicContact CG-CD2 3.96Å
130G92Very high83.5Confident38 Ų3871.9 Ų71.939%0.39235%0.352SS..THydrogen-bonded Turntrans65.333.1177.300000113.2F126 E127 T128 R165F126-G130 PolarHBondContact O-N 3.33Å; F126-G130 VanDerWaalsContact O-N 3.09Å; E127-G130 PolarHBondContact O-N 3.18Å; T128-G130 VanDerWaalsContact C-N 3.31Å; T128-G130 PolarHBondContact O-N 3.12Å; G130-R165 PolarHBondContact O-NH2 2.91Å
131L91.2Very high81.8Confident18 Ų1876.9 Ų76.99%0.09438%0.382CS..  trans-93.2155.5178.6-61.2173.1000110.8F126 L129 V147 L166 A169F126-L131 WeakPolarHBondContact CE2-O 3.36Å; L129-L131 VanDerWaalsContact C-N 3.29Å; L129-L131 HydrophobicContact CB-CD1 4.1Å; L129-L131 HydrophobicContact CB-CG 4.06Å; L129-L131 HydrophobicContact CD1-CD1 4.4Å; L129-L131 PolarHBondContact O-N 3.2Å; L131-V147 HydrophobicContact CB-CG1 3.96Å; L131-V147 HydrophobicContact CB-CG2 4.2Å; L131-V147 HydrophobicContact CD1-CG1 4.12Å; L131-L166 HydrophobicContact CD1-CD1 3.49Å; L131-L166 VanDerWaalsContact CD1-CD1 3.49Å; L131-L166 HydrophobicContact CD2-CD1 3.85Å; L131-L166 HydrophobicContact CG-CD1 4.34Å; L131-A169 HydrophobicContact CD2-CB 4.19Å
132E91Very high80.2Confident150 Ų15079 Ų7970%0.70140%0.396SS*.  trans-78.4126.5174.9-74.8163.3-141.300109.9R165E132-R165 IonicContact OE1-CZ 3.76Å; E132-R165 IonicContact OE1-NH1 2.83Å; E132-R165 PolarHBondContact OE1-NH1 3.13Å; E132-R165 IonicContact OE1-NH2 3.8Å
133G88.3Confident79.6Confident39 Ų3979.9 Ų79.940%0.40241%0.406SS..  trans-159.1-177.2-178.200000111.6E146G133-E146 CarbonylContact C-O 3.59Å; G133-E146 WeakPolarHBondContact CA-O 3.28Å
134R86.8Confident79.3Confident124 Ų12475.5 Ų75.547%0.46839%0.387SS..EExtended strand (participates in β ladder)trans-124.7145.9-179.462-176.3-178.6-162-4.9110.7Y145 E146R134-Y145 CarbonylContact O-C 3.51Å; R134-Y145 WeakPolarHBondContact O-CA 3.48Å; R134-E146 HydrophobicContact CG-CB 4.13Å; R134-E146 IonicContact CZ-OE1 2.79Å; R134-E146 IonicContact CZ-OE2 2.71Å; R134-E146 PolarHBondContact N-O 2.82Å; R134-E146 IonicContact NE-OE2 2.85Å; R134-E146 PolarHBondContact NE-OE2 3.16Å; R134-E146 IonicContact NH2-OE1 3.72Å; R134-E146 PolarHBondContact NH2-OE1 2.82Å; R134-E146 IonicContact NH2-OE2 3.45Å; R134-E146 PolarHBondContact NH2-OE2 3.28Å; R134-E146 PolarHBondContact O-N 3.04Å
135P83.3Confident79Confident69 Ų6971.4 Ų71.445%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-63.4140.1168.427.6-33.1000109.8Y145P135-Y145 HydrophobicContact CB-CD1 4.34Å; P135-Y145 HydrophobicContact CB-CE1 4.23Å
136S73.2Confident78.8Confident7 Ų772.4 Ų72.45%0.04937%0.367CS..  trans-64.1139.8168.8-175.60000108.7S138 R144S136-S138 PolarHBondContact O-N 2.88Å; S136-R144 PolarHBondContact N-O 3.39Å
137R63Low78.6Confident213 Ų21370.8 Ų70.880%0.80436%0.36SS*.THydrogen-bonded Turntrans-75.49.6-167.5-52.7175.3160.8-175.1-4.5113.6D319R137-D319 WeakPolarHBondContact CB-OD1 3.31Å; R137-D319 WeakPolarHBondContact CG-OD1 3.16Å; R137-D319 PolarHBondContact N-OD1 2.89Å; R137-D319 VanDerWaalsContact N-OD1 3.09Å
138S55.9Low78.5Confident9 Ų968.2 Ų68.26%0.06335%0.352CS..THydrogen-bonded Turntrans-96.3-3.1-155.997.40000114.4S136 I320 L321S136-S138 PolarHBondContact O-N 2.88Å; S138-I320 WeakPolarHBondContact CB-O 3.2Å; S138-I320 PolarHBondContact OG-O 3.44Å; S138-L321 VanDerWaalsContact CB-CG 3.47Å; S138-L321 WeakPolarHBondContact O-CD1 3.46Å; S138-L321 VanDerWaalsContact O-CD2 3.31Å; S138-L321 WeakPolarHBondContact O-CD2 3.48Å; S138-L321 WeakPolarHBondContact O-CG 2.91Å
139N47.2Very low78.3Confident89 Ų8966 Ų6648%0.47634%0.338SS..  trans-150.5147.5171-97.5-36000113.5T141N139-T141 VanDerWaalsContact CB-O 3.27Å; N139-T141 WeakPolarHBondContact CB-O 3.38Å; N139-T141 CarbonylContact O-C 3.55Å; N139-T141 PolarHBondContact O-N 3.39Å
140R51.6Low78.1Confident263 Ų26368.5 Ų68.599%0.99235%0.351SS*.SBendtrans-56.4-18.5169.7-80.9-177.8164.2-179.7-4.5112.6
141T55.2Low78.1Confident110 Ų11066.7 Ų66.768%0.67533%0.333SS*.SBendtrans-118.499.2166.950.30000107.7N139 S143N139-T141 VanDerWaalsContact CB-O 3.27Å; N139-T141 WeakPolarHBondContact CB-O 3.38Å; N139-T141 CarbonylContact O-C 3.55Å; N139-T141 PolarHBondContact O-N 3.39Å; T141-S143 PolarHBondContact O-N 3.33Å
142S59.2Low77.9Confident43 Ų4371.6 Ų71.630%0.30135%0.35SS..  trans-65.3100.1-179.558.70000110.4Y145S142-Y145 PolarHBondContact OG-OH 3.46Å
143S77.8Confident77.8Confident64 Ų6467.9 Ų67.945%0.44834%0.335SS..  trans-87.9-11.7174.253.40000113T141T141-S143 PolarHBondContact O-N 3.33Å
144R85Confident77.9Confident9 Ų969.1 Ų69.13%0.03435%0.348CS..EExtended strand (participates in β ladder)trans-129.3140.3-174.3-60.3-61.5-63.3-166-7.5111.8I101 D104 S120 L121 S136I101-R144 PolarHBondContact O-NH2 2.61Å; D104-R144 PolarHBondContact O-NH1 2.84Å; D104-R144 PolarHBondContact O-NH2 2.72Å; S120-R144 VanDerWaalsContact C-NH2 3.34Å; S120-R144 PolarHBondContact O-NH2 3.16Å; S120-R144 PolarHBondContact OG-NH2 3.11Å; L121-R144 CarbonylContact O-C 3.56Å; L121-R144 WeakPolarHBondContact O-CA 3.48Å; L121-R144 PolarHBondContact O-NE 3.42Å; S136-R144 PolarHBondContact N-O 3.39Å
145Y87.6Confident78.1Confident31 Ų3165.3 Ų65.312%0.12234%0.34CS..EExtended strand (participates in β ladder)trans-127.4136.3-177.6-64.2-95.3000110.5L121 K123 F126 R134 P135 S142L121-Y145 PolarHBondContact N-O 3.07Å; L121-Y145 PolarHBondContact O-N 3.09Å; K123-Y145 HydrophobicContact CB-CD2 4.45Å; K123-Y145 HydrophobicContact CB-CE2 3.82Å; K123-Y145 HydrophobicContact CG-CE2 3.86Å; F126-Y145 HydrophobicContact CB-CD2 3.98Å; F126-Y145 HydrophobicContact CB-CG 3.94Å; F126-Y145 AromaticContact CD1-CD1 3.48Å; F126-Y145 HydrophobicContact CD1-CD1 3.48Å; F126-Y145 VanDerWaalsContact CD1-CD1 3.48Å; F126-Y145 HydrophobicContact CD1-CD2 4.02Å; F126-Y145 AromaticContact CD1-CE1 3.89Å; F126-Y145 HydrophobicContact CD1-CE1 3.89Å; F126-Y145 HydrophobicContact CD1-CE2 4.4Å; F126-Y145 AromaticContact CD1-CG 3.56Å; F126-Y145 HydrophobicContact CD1-CG 3.56Å; F126-Y145 HydrophobicContact CD2-CD1 4.39Å; F126-Y145 HydrophobicContact CD2-CG 4.1Å; F126-Y145 AromaticContact CE1-CD1 3.52Å; F126-Y145 HydrophobicContact CE1-CD1 3.52Å; F126-Y145 AromaticContact CE1-CE1 3.88Å; F126-Y145 HydrophobicContact CE1-CE1 3.88Å; F126-Y145 HydrophobicContact CE1-CG 4.06Å; F126-Y145 HydrophobicContact CE2-CD1 4.42Å; F126-Y145 AromaticContact CG-CD1 3.94Å; F126-Y145 HydrophobicContact CG-CD1 3.94Å; F126-Y145 HydrophobicContact CG-CD2 4.08Å; F126-Y145 AromaticContact CG-CG 3.58Å; F126-Y145 HydrophobicContact CG-CG 3.58Å; F126-Y145 HydrophobicContact CZ-CD1 4.01Å; R134-Y145 CarbonylContact O-C 3.51Å; R134-Y145 WeakPolarHBondContact O-CA 3.48Å; P135-Y145 HydrophobicContact CB-CD1 4.34Å; P135-Y145 HydrophobicContact CB-CE1 4.23Å; S142-Y145 PolarHBondContact OG-OH 3.46Å
146E88.3Confident78.5Confident25 Ų2562.4 Ų62.412%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-105.8122.2177.7-171.7-171.3172.800109.6V118 F119 G133 R134V118-E146 HydrophobicContact CG1-CG 4.21Å; F119-E146 CarbonylContact O-C 3.52Å; F119-E146 VanDerWaalsContact O-CA 3.3Å; F119-E146 WeakPolarHBondContact O-CA 3.3Å; G133-E146 CarbonylContact C-O 3.59Å; G133-E146 WeakPolarHBondContact CA-O 3.28Å; R134-E146 HydrophobicContact CG-CB 4.13Å; R134-E146 IonicContact CZ-OE1 2.79Å; R134-E146 IonicContact CZ-OE2 2.71Å; R134-E146 PolarHBondContact N-O 2.82Å; R134-E146 IonicContact NE-OE2 2.85Å; R134-E146 PolarHBondContact NE-OE2 3.16Å; R134-E146 IonicContact NH2-OE1 3.72Å; R134-E146 PolarHBondContact NH2-OE1 2.82Å; R134-E146 IonicContact NH2-OE2 3.45Å; R134-E146 PolarHBondContact NH2-OE2 3.28Å; R134-E146 PolarHBondContact O-N 3.04Å
147V90.9Very high79.4Confident1 Ų164 Ų641%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-113.9126.4172.4174.70000107.6V118 F119 L121 F126 L131 V149V118-V147 CarbonylContact C-O 3.44Å; V118-V147 WeakPolarHBondContact CA-O 3.46Å; F119-V147 HydrophobicContact CB-CB 4.16Å; F119-V147 HydrophobicContact CD2-CB 4.15Å; F119-V147 HydrophobicContact CD2-CG1 4.09Å; F119-V147 PolarHBondContact N-O 2.99Å; F119-V147 PolarHBondContact O-N 3.01Å; L121-V147 HydrophobicContact CD1-CG2 4.15Å; F126-V147 HydrophobicContact CD2-CG2 3.73Å; F126-V147 HydrophobicContact CE2-CG2 3.66Å; L131-V147 HydrophobicContact CB-CG1 3.96Å; L131-V147 HydrophobicContact CB-CG2 4.2Å; L131-V147 HydrophobicContact CD1-CG1 4.12Å; V147-V149 HydrophobicContact CG1-CG2 4.15Å
148T90.8Very high80.9Confident60 Ų6056.1 Ų56.137%0.36831%0.31SS..EExtended strand (participates in β ladder)trans-121.1126.3177.8-61.90000109.1H116 V118H116-T148 HydrophobicContact CB-CG2 3.91Å; V118-T148 HydrophobicContact CG2-CG2 4.18Å
149V91.3Very high82.6Confident22 Ų2257.9 Ų57.913%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-122.1123.4179-176.10000109.9H116 L117 F119 V147 L151 M156 L166H116-V149 CarbonylContact C-O 3.58Å; H116-V149 VanDerWaalsContact CA-O 3.27Å; H116-V149 WeakPolarHBondContact CA-O 3.43Å; L117-V149 PolarHBondContact N-O 2.83Å; L117-V149 PolarHBondContact O-N 2.84Å; F119-V149 HydrophobicContact CE2-CG2 4.38Å; V147-V149 HydrophobicContact CG1-CG2 4.15Å; V149-L151 HydrophobicContact CG1-CD2 4.45Å; V149-L151 PolarHBondContact O-N 2.99Å; V149-M156 HydrophobicContact CG1-CE 3.67Å; V149-M156 HydrophobicContact CG1-CG 3.84Å; V149-M156 HydrophobicContact CG1-SD 3.67Å; V149-L166 HydrophobicContact CB-CD2 4.46Å; V149-L166 HydrophobicContact CG1-CD2 4.1Å; V149-L166 HydrophobicContact CG2-CD2 4.23Å
150D90.9Very high84.9Confident54 Ų5454.5 Ų54.529%0.28932%0.316SS..EExtended strand (participates in β ladder)trans-80.2109.4171.4-173.9-16.8000110.5R152 D153 M156D150-R152 PolarHBondContact O-N 3.09Å; D150-R152 WeakPolarHBondContact OD1-CA 3.24Å; D150-R152 WeakPolarHBondContact OD1-CB 3.45Å; D150-R152 PolarHBondContact OD1-N 2.88Å; D150-D153 HydrophobicContact CB-CB 4.13Å; D150-D153 WeakPolarHBondContact O-CB 3.46Å; D150-D153 PolarHBondContact O-N 2.84Å; D150-D153 PolarHBondContact OD1-N 3.46Å; D150-M156 VanDerWaalsContact O-CB 3.32Å; D150-M156 WeakPolarHBondContact O-CB 3.33Å; D150-M156 WeakPolarHBondContact O-CG 3.3Å
151L91.1Very high86.9Confident0 Ų052.7 Ų52.70%031%0.31CS..THydrogen-bonded Turntrans-72.8-10.6-179-61179.7000113.6L78 L83 V87 Y88 L109 H115 L117 V149 M156L78-L151 HydrophobicContact CD2-CD2 3.78Å; L83-L151 HydrophobicContact CD2-CB 4.44Å; L83-L151 HydrophobicContact CD2-CD1 4.21Å; V87-L151 HydrophobicContact CG1-CB 4.17Å; V87-L151 HydrophobicContact CG1-CD1 4.24Å; Y88-L151 WeakPolarHBondContact CE1-O 3.47Å; Y88-L151 PolarHBondContact OH-O 2.89Å; L109-L151 HydrophobicContact CD1-CD1 3.53Å; H115-L151 WeakPolarHBondContact O-CB 3.47Å; H115-L151 WeakPolarHBondContact O-CG 3.34Å; H115-L151 PolarHBondContact O-N 3.36Å; L117-L151 HydrophobicContact CB-CD1 4.26Å; L117-L151 HydrophobicContact CB-CD2 4.21Å; L117-L151 HydrophobicContact CB-CG 4.24Å; V149-L151 HydrophobicContact CG1-CD2 4.45Å; V149-L151 PolarHBondContact O-N 2.99Å; L151-M156 HydrophobicContact CD2-CE 4.03Å
152R87.6Confident88.7Confident121 Ų12149.7 Ų49.746%0.45729%0.293SS..THydrogen-bonded Turntrans-99.3-7.1174.8-72.2-166.7174.9-169.6-1.2113.4V87 Y88 H115 D150V87-R152 PolarHBondContact O-NH2 3.41Å; Y88-R152 HydrophobicContact CD1-CG 4.02Å; Y88-R152 HydrophobicContact CE1-CG 3.97Å; Y88-R152 PolarHBondContact O-NH2 2.9Å; Y88-R152 VanDerWaalsContact O-NH2 3.16Å; H115-R152 HydrophobicContact CB-CG 4.14Å; H115-R152 WeakPolarHBondContact CD2-CD 3.49Å; H115-R152 PolarHBondContact CD2-NE 3.07Å; H115-R152 PolarHBondContact NE2-NE 3.07Å; H115-R152 PolarHBondContact NE2-NH2 2.73Å; H115-R152 VanDerWaalsContact NE2-NH2 3.16Å; D150-R152 PolarHBondContact O-N 3.09Å; D150-R152 WeakPolarHBondContact OD1-CA 3.24Å; D150-R152 WeakPolarHBondContact OD1-CB 3.45Å; D150-R152 PolarHBondContact OD1-N 2.88Å
153D89.7Confident90.4Very high73 Ų7347.8 Ų47.839%0.3928%0.279SS..SBendtrans-58.2140.2173-178.8-95.3000110.7D150 S155 M156 A157D150-D153 HydrophobicContact CB-CB 4.13Å; D150-D153 WeakPolarHBondContact O-CB 3.46Å; D150-D153 PolarHBondContact O-N 2.84Å; D150-D153 PolarHBondContact OD1-N 3.46Å; D153-S155 PolarHBondContact O-N 2.99Å; D153-S155 VanDerWaalsContact O-N 3.13Å; D153-S155 WeakPolarHBondContact OD1-CA 3.37Å; D153-S155 WeakPolarHBondContact OD1-CB 3.44Å; D153-S155 PolarHBondContact OD1-N 3.42Å; D153-S155 PolarHBondContact OD1-OG 3.17Å; D153-M156 HydrophobicContact CB-CB 4.36Å; D153-M156 HydrophobicContact CB-CG 4.44Å; D153-M156 CarbonylContact O-C 3.47Å; D153-M156 WeakPolarHBondContact O-CA 3.19Å; D153-M156 WeakPolarHBondContact O-CB 3.3Å; D153-M156 PolarHBondContact O-N 2.83Å; D153-A157 PolarHBondContact O-N 3.49Å
154G88.6Confident91.2Very high64 Ų6448.8 Ų48.866%0.6628%0.279SS*.G310 helixtrans-59.7-28-177.100000113.5M156 A157G154-M156 VanDerWaalsContact C-N 3.29Å; G154-A157 WeakPolarHBondContact O-CB 3.26Å
155S91.4Very high91.7Very high45 Ų4554.2 Ų54.232%0.31530%0.3SS..G310 helixtrans-77-16.1174.977.80000113.7D153 G160 S162 Y163D153-S155 PolarHBondContact O-N 2.99Å; D153-S155 VanDerWaalsContact O-N 3.13Å; D153-S155 WeakPolarHBondContact OD1-CA 3.37Å; D153-S155 WeakPolarHBondContact OD1-CB 3.44Å; D153-S155 PolarHBondContact OD1-N 3.42Å; D153-S155 PolarHBondContact OD1-OG 3.17Å; S155-G160 CarbonylContact O-C 3.6Å; S155-G160 WeakPolarHBondContact O-CA 3.18Å; S155-S162 WeakPolarHBondContact CB-OG 3.31Å; S155-S162 WeakPolarHBondContact O-CB 3.3Å; S155-S162 PolarHBondContact O-N 2.97Å; S155-S162 VanDerWaalsContact OG-CB 3.28Å; S155-S162 WeakPolarHBondContact OG-CB 3.43Å; S155-S162 PolarHBondContact OG-OG 3.21Å; S155-Y163 PolarHBondContact O-N 3.11Å
156M92.8Very high92.1Very high8 Ų852.9 Ų52.94%0.03930%0.295CS..G310 helixtrans-95.1-4.3175.5-76-58.8-56.100113.6L78 V149 D150 L151 D153 G154 S162 Y163 L166L78-M156 HydrophobicContact CD2-CE 4.3Å; V149-M156 HydrophobicContact CG1-CE 3.67Å; V149-M156 HydrophobicContact CG1-CG 3.84Å; V149-M156 HydrophobicContact CG1-SD 3.67Å; D150-M156 VanDerWaalsContact O-CB 3.32Å; D150-M156 WeakPolarHBondContact O-CB 3.33Å; D150-M156 WeakPolarHBondContact O-CG 3.3Å; L151-M156 HydrophobicContact CD2-CE 4.03Å; D153-M156 HydrophobicContact CB-CB 4.36Å; D153-M156 HydrophobicContact CB-CG 4.44Å; D153-M156 CarbonylContact O-C 3.47Å; D153-M156 WeakPolarHBondContact O-CA 3.19Å; D153-M156 WeakPolarHBondContact O-CB 3.3Å; D153-M156 PolarHBondContact O-N 2.83Å; G154-M156 VanDerWaalsContact C-N 3.29Å; M156-S162 VanDerWaalsContact SD-CB 3.55Å; M156-Y163 PolarHBondContact SD-N 2.9Å; M156-L166 HydrophobicContact CE-CB 4.47Å; M156-L166 HydrophobicContact CE-CD2 3.78Å
157A92.1Very high92.4Very high40 Ų4056 Ų5633%0.33131%0.305SS..SBendtrans-56.7145.8168.400000110.8D153 G154 G159 G160 Y163D153-A157 PolarHBondContact O-N 3.49Å; G154-A157 WeakPolarHBondContact O-CB 3.26Å; A157-G159 PolarHBondContact O-N 2.67Å; A157-G159 VanDerWaalsContact O-N 3.08Å; A157-G160 WeakPolarHBondContact O-CA 3.35Å; A157-G160 PolarHBondContact O-N 2.91Å; A157-Y163 WeakPolarHBondContact O-CB 3.43Å
158P93.3Very high92.6Very high47 Ų4763.6 Ų63.631%0.30533%0.334SS..THydrogen-bonded Turntrans-54.4117.2-176.9-30.336.3000114.6K80 L83 Y163K80-P158 HydrophobicContact CB-CB 4.44Å; K80-P158 HydrophobicContact CB-CG 4.28Å; K80-P158 HydrophobicContact CD-CB 3.59Å; K80-P158 HydrophobicContact CD-CG 4.29Å; K80-P158 HydrophobicContact CG-CB 3.68Å; K80-P158 HydrophobicContact CG-CG 4Å; L83-P158 HydrophobicContact CD1-CG 4.16Å; P158-Y163 HydrophobicContact CB-CE2 4.5Å
159G92.6Very high92.9Very high46 Ų4660.8 Ų60.847%0.47432%0.317SS..THydrogen-bonded Turntrans98.1-8.1-175.200000114.4A157A157-G159 PolarHBondContact O-N 2.67Å; A157-G159 VanDerWaalsContact O-N 3.08Å
160G94.3Very high93.1Very high18 Ų1859.8 Ų59.819%0.18631%0.311CS..  trans-64.2160.6171.800000113.1S155 A157 Y163 L164S155-G160 CarbonylContact O-C 3.6Å; S155-G160 WeakPolarHBondContact O-CA 3.18Å; A157-G160 WeakPolarHBondContact O-CA 3.35Å; A157-G160 PolarHBondContact O-N 2.91Å; G160-Y163 WeakPolarHBondContact O-CB 3.46Å; G160-Y163 PolarHBondContact O-N 3.15Å; G160-L164 WeakPolarHBondContact O-CB 3.45Å; G160-L164 VanDerWaalsContact O-CG 3.31Å; G160-L164 WeakPolarHBondContact O-CG 3.38Å; G160-L164 PolarHBondContact O-N 3.49Å
161R93.7Very high93.2Very high226 Ų22660.8 Ų60.885%0.85331%0.314SS*.Hα-helixtrans-61.8-47.3-176-71.9-174-73.1-172.7-2.7112.3L164 R165R161-L164 PolarHBondContact O-N 3.12Å; R161-R165 WeakPolarHBondContact O-CB 3.32Å; R161-R165 PolarHBondContact O-N 3.42Å
162S92.9Very high93.2Very high47 Ų4764.8 Ų64.833%0.32934%0.342SS..Hα-helixtrans-68.1-40.8179.8-52.30000110.9S155 M156 L164 R165 L166S155-S162 WeakPolarHBondContact CB-OG 3.31Å; S155-S162 WeakPolarHBondContact O-CB 3.3Å; S155-S162 PolarHBondContact O-N 2.97Å; S155-S162 VanDerWaalsContact OG-CB 3.28Å; S155-S162 WeakPolarHBondContact OG-CB 3.43Å; S155-S162 PolarHBondContact OG-OG 3.21Å; M156-S162 VanDerWaalsContact SD-CB 3.55Å; S162-L164 PolarHBondContact O-N 2.81Å; S162-R165 PolarHBondContact O-N 2.95Å; S162-L166 PolarHBondContact O-N 3.17Å
163Y95.7Very high93.5Very high3 Ų363.9 Ų63.91%0.01234%0.343CS..Hα-helixtrans-55.5-50.7173.3170.4-93.3000112.1L78 L83 S155 M156 A157 P158 G160 R165 L166 R167L78-Y163 HydrophobicContact CB-CE2 3.9Å; L78-Y163 VanDerWaalsContact O-CE2 3.26Å; L78-Y163 WeakPolarHBondContact O-CE2 3.26Å; L78-Y163 PolarHBondContact O-OH 2.8Å; L78-Y163 VanDerWaalsContact O-OH 3.11Å; L83-Y163 HydrophobicContact CD1-CE2 4.25Å; S155-Y163 PolarHBondContact O-N 3.11Å; M156-Y163 PolarHBondContact SD-N 2.9Å; A157-Y163 WeakPolarHBondContact O-CB 3.43Å; P158-Y163 HydrophobicContact CB-CE2 4.5Å; G160-Y163 WeakPolarHBondContact O-CB 3.46Å; G160-Y163 PolarHBondContact O-N 3.15Å; Y163-R165 VanDerWaalsContact C-N 3.33Å; Y163-R165 PolarHBondContact O-N 3.26Å; Y163-L166 PolarHBondContact O-N 3.29Å; Y163-R167 VanDerWaalsContact O-CB 3.28Å; Y163-R167 WeakPolarHBondContact O-CB 3.23Å; Y163-R167 PolarHBondContact O-N 3.36Å; Y163-R167 PolarHBondContact OH-NH1 2.94Å; Y163-R167 VanDerWaalsContact OH-NH1 3.07Å
164L95.5Very high93.7Very high85 Ų8562.7 Ų62.745%0.44534%0.337SS..Hα-helixtrans-65.5-36.3179.7-70.1174.8000112G160 R161 S162 R168G160-L164 WeakPolarHBondContact O-CB 3.45Å; G160-L164 VanDerWaalsContact O-CG 3.31Å; G160-L164 WeakPolarHBondContact O-CG 3.38Å; G160-L164 PolarHBondContact O-N 3.49Å; R161-L164 PolarHBondContact O-N 3.12Å; S162-L164 PolarHBondContact O-N 2.81Å; L164-R168 WeakPolarHBondContact O-CB 3.49Å; L164-R168 PolarHBondContact O-N 3.39Å
165R95.3Very high93.8Very high122 Ų12267.2 Ų67.246%0.4634%0.338SS..Hα-helixtrans-63.2-51.6175.5-177.4179.2176.9-171.9-2.3111.1G130 E132 R161 S162 Y163 R168 A169G130-R165 PolarHBondContact O-NH2 2.91Å; E132-R165 IonicContact OE1-CZ 3.76Å; E132-R165 IonicContact OE1-NH1 2.83Å; E132-R165 PolarHBondContact OE1-NH1 3.13Å; E132-R165 IonicContact OE1-NH2 3.8Å; R161-R165 WeakPolarHBondContact O-CB 3.32Å; R161-R165 PolarHBondContact O-N 3.42Å; S162-R165 PolarHBondContact O-N 2.95Å; Y163-R165 VanDerWaalsContact C-N 3.33Å; Y163-R165 PolarHBondContact O-N 3.26Å; R165-R168 PolarHBondContact O-N 3.35Å; R165-A169 PolarHBondContact O-N 3.32Å
166L95.4Very high93.9Very high4 Ų466 Ų662%0.02133%0.328CS..Hα-helixtrans-62.8-47.2179.9-178.964000111.5L78 L117 F119 L131 V149 M156 S162 Y163 R168 A169 L170L78-L166 HydrophobicContact CD1-CB 4.29Å; L78-L166 HydrophobicContact CD1-CD2 3.77Å; L78-L166 HydrophobicContact CD1-CG 3.79Å; L78-L166 HydrophobicContact CD2-CD2 3.83Å; L78-L166 HydrophobicContact CG-CD2 4.41Å; L117-L166 HydrophobicContact CD2-CD2 4.48Å; F119-L166 HydrophobicContact CE2-CD1 4.46Å; F119-L166 HydrophobicContact CZ-CD1 4.3Å; L131-L166 HydrophobicContact CD1-CD1 3.49Å; L131-L166 VanDerWaalsContact CD1-CD1 3.49Å; L131-L166 HydrophobicContact CD2-CD1 3.85Å; L131-L166 HydrophobicContact CG-CD1 4.34Å; V149-L166 HydrophobicContact CB-CD2 4.46Å; V149-L166 HydrophobicContact CG1-CD2 4.1Å; V149-L166 HydrophobicContact CG2-CD2 4.23Å; M156-L166 HydrophobicContact CE-CB 4.47Å; M156-L166 HydrophobicContact CE-CD2 3.78Å; S162-L166 PolarHBondContact O-N 3.17Å; Y163-L166 PolarHBondContact O-N 3.29Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.46Å; L166-A169 WeakPolarHBondContact O-CB 3.31Å; L166-A169 PolarHBondContact O-N 2.92Å; L166-L170 HydrophobicContact CD1-CD1 4.13Å; L166-L170 HydrophobicContact CD1-CG 4.35Å; L166-L170 HydrophobicContact CG-CD1 4.08Å; L166-L170 WeakPolarHBondContact O-CG 3.19Å; L166-L170 PolarHBondContact O-N 3.43Å
167R95.3Very high94Very high89 Ų8970.6 Ų70.634%0.33635%0.349SS..Hα-helixtrans-60.4-41.9177.8-176.1174.1169.5174.1-2.8111.7L78 Y163 L170 M171L78-R167 HydrophobicContact CD1-CB 3.97Å; Y163-R167 VanDerWaalsContact O-CB 3.28Å; Y163-R167 WeakPolarHBondContact O-CB 3.23Å; Y163-R167 PolarHBondContact O-N 3.36Å; Y163-R167 PolarHBondContact OH-NH1 2.94Å; Y163-R167 VanDerWaalsContact OH-NH1 3.07Å; R167-L170 PolarHBondContact O-N 2.67Å; R167-M171 HydrophobicContact CG-CG 4.29Å; R167-M171 HydrophobicContact CG-SD 3.73Å; R167-M171 WeakPolarHBondContact O-CB 3.42Å; R167-M171 VanDerWaalsContact O-CG 3.25Å; R167-M171 WeakPolarHBondContact O-CG 3.36Å; R167-M171 PolarHBondContact O-N 3.46Å
168R95.2Very high94.2Very high161 Ų16169.4 Ų69.461%0.60834%0.337SS*.Hα-helixtrans-63.5-43.8175.6-175.7-178.7-63.2168.90.5111.7L164 R165 L166 L170 M171 S172L164-R168 WeakPolarHBondContact O-CB 3.49Å; L164-R168 PolarHBondContact O-N 3.39Å; R165-R168 PolarHBondContact O-N 3.35Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.46Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-L170 PolarHBondContact O-N 2.79Å; R168-M171 PolarHBondContact O-N 3.47Å; R168-S172 WeakPolarHBondContact O-CA 3.43Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.45Å; R168-S172 PolarHBondContact O-N 3.23Å; R168-S172 PolarHBondContact O-OG 2.86Å
169A95.5Very high94.4Very high1 Ų169.1 Ų69.11%0.00833%0.333CS..Iπ-helixtrans-57.1-48.7177.500000111.2L129 L131 R165 L166 M171 H173 L174L129-A169 HydrophobicContact CD2-CB 3.97Å; L129-A169 WeakPolarHBondContact O-CB 3.4Å; L131-A169 HydrophobicContact CD2-CB 4.19Å; R165-A169 PolarHBondContact O-N 3.32Å; L166-A169 WeakPolarHBondContact O-CB 3.31Å; L166-A169 PolarHBondContact O-N 2.92Å; A169-M171 PolarHBondContact O-N 2.86Å; A169-H173 WeakPolarHBondContact O-CB 3.32Å; A169-H173 PolarHBondContact O-N 2.87Å; A169-H173 VanDerWaalsContact O-N 3.08Å; A169-L174 PolarHBondContact O-N 3.05Å
170L95.4Very high94.6Very high2 Ų267 Ų671%0.0131%0.311CS..Iπ-helixtrans-72.9-24-179.2-65.4172.9000114.4L74 L78 F119 L129 L166 R167 R168 L174 K175 L176L74-L170 HydrophobicContact CB-CD1 4.24Å; L74-L170 HydrophobicContact CB-CD2 4.22Å; L78-L170 HydrophobicContact CD1-CD1 4.07Å; F119-L170 HydrophobicContact CE1-CD2 4.2Å; F119-L170 HydrophobicContact CZ-CD1 4.48Å; L129-L170 HydrophobicContact CD2-CD2 3.98Å; L166-L170 HydrophobicContact CD1-CD1 4.13Å; L166-L170 HydrophobicContact CD1-CG 4.35Å; L166-L170 HydrophobicContact CG-CD1 4.08Å; L166-L170 WeakPolarHBondContact O-CG 3.19Å; L166-L170 PolarHBondContact O-N 3.43Å; R167-L170 PolarHBondContact O-N 2.67Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-L170 PolarHBondContact O-N 2.79Å; L170-L174 CarbonylContact C-O 3.51Å; L170-L174 WeakPolarHBondContact CA-O 3.37Å; L170-K175 WeakPolarHBondContact O-CA 3.28Å; L170-L176 HydrophobicContact CD2-CB 4.46Å
171M93.4Very high94.8Very high74 Ų7466.5 Ų66.537%0.36530%0.304SS..Iπ-helixtrans-92.5-35.7179.1-71.7-175.374.400113.4Y75 R167 R168 A169 K175Y75-M171 HydrophobicContact CD1-CG 3.7Å; Y75-M171 HydrophobicContact CD2-CG 3.95Å; Y75-M171 HydrophobicContact CD2-SD 4.17Å; Y75-M171 HydrophobicContact CE1-CG 4.32Å; Y75-M171 HydrophobicContact CG-CG 3.51Å; Y75-M171 HydrophobicContact CG-SD 4.33Å; R167-M171 HydrophobicContact CG-CG 4.29Å; R167-M171 HydrophobicContact CG-SD 3.73Å; R167-M171 WeakPolarHBondContact O-CB 3.42Å; R167-M171 VanDerWaalsContact O-CG 3.25Å; R167-M171 WeakPolarHBondContact O-CG 3.36Å; R167-M171 PolarHBondContact O-N 3.46Å; R168-M171 PolarHBondContact O-N 3.47Å; A169-M171 PolarHBondContact O-N 2.86Å; M171-K175 WeakPolarHBondContact O-CE 3.27Å
172S92.3Very high94.9Very high84 Ų8455.7 Ų55.759%0.58726%0.263SS*.Iπ-helixtrans-114.8-39-166.4-51.90000113.6R168R168-S172 WeakPolarHBondContact O-CA 3.43Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.45Å; R168-S172 PolarHBondContact O-N 3.23Å; R168-S172 PolarHBondContact O-OG 2.86Å
173H93.2Very high95Very high103 Ų10353.5 Ų53.548%0.47725%0.248SC..Iπ-helixtrans-85.9-54-176.3-55.2175.5000110.7T128 A169T128-H173 HydrophobicContact CG2-CB 4.41Å; T128-H173 WeakPolarHBondContact O-CB 3.32Å; A169-H173 WeakPolarHBondContact O-CB 3.32Å; A169-H173 PolarHBondContact O-N 2.87Å; A169-H173 VanDerWaalsContact O-N 3.08Å
174L93.1Very high95Very high48 Ų4853.5 Ų53.525%0.25125%0.248SC..  trans-137110.5177.9-177.167000109.4A125 T128 L129 A169 L170 L176A125-L174 HydrophobicContact CB-CD2 3.77Å; T128-L174 HydrophobicContact CG2-CB 4.07Å; L129-L174 HydrophobicContact CD1-CD2 4.14Å; L129-L174 HydrophobicContact CD2-CB 3.8Å; L129-L174 HydrophobicContact CD2-CD2 4.38Å; L129-L174 HydrophobicContact CG-CB 4.08Å; L129-L174 HydrophobicContact CG-CD2 3.96Å; A169-L174 PolarHBondContact O-N 3.05Å; L170-L174 CarbonylContact C-O 3.51Å; L170-L174 WeakPolarHBondContact CA-O 3.37Å; L174-L176 HydrophobicContact CD2-CD1 4.46Å; L174-L176 HydrophobicContact CG-CB 4.38Å; L174-L176 PolarHBondContact O-N 2.91Å
175K92.6Very high94.8Very high158 Ų15852.6 Ų52.669%0.68724%0.241SC*.  trans-76.566.4177.2-65.2-178.3-177.8179.30110.6L170 M171 Q177L170-K175 WeakPolarHBondContact O-CA 3.28Å; M171-K175 WeakPolarHBondContact O-CE 3.27Å; K175-Q177 PolarHBondContact O-N 3.41Å
176L93Very high94.5Very high20 Ų2051.5 Ų51.511%0.10525%0.25CC..  trans-67.9120.8-175-166.957.6000109.8L74 N105 L121 L170 L174 M178L74-L176 HydrophobicContact CD1-CB 4.06Å; L74-L176 HydrophobicContact CD1-CD2 3.54Å; L74-L176 HydrophobicContact CD1-CG 3.72Å; L74-L176 HydrophobicContact CG-CG 4.47Å; L74-L176 PolarHBondContact N-O 3.43Å; L74-L176 VanDerWaalsContact N-O 3.08Å; N105-L176 HydrophobicContact CB-CD1 4.39Å; L121-L176 HydrophobicContact CD2-CD2 4.27Å; L170-L176 HydrophobicContact CD2-CB 4.46Å; L174-L176 HydrophobicContact CD2-CD1 4.46Å; L174-L176 HydrophobicContact CG-CB 4.38Å; L174-L176 PolarHBondContact O-N 2.91Å; L176-M178 HydrophobicContact CD1-CE 4.2Å; L176-M178 HydrophobicContact CD2-CE 3.97Å; L176-M178 HydrophobicContact CG-CE 3.82Å
177Q95Very high93.7Very high104 Ų10452.7 Ų52.749%0.48626%0.264SS..EExtended strand (participates in β ladder)trans-128.2140.3179.5-71.4178.3-2.500109.4L72 P73 K175L72-Q177 WeakPolarHBondContact O-CA 3.4Å; P73-Q177 HydrophobicContact CB-CG 4.17Å; P73-Q177 HydrophobicContact CG-CG 4.29Å; K175-Q177 PolarHBondContact O-N 3.41Å
178M96Very high93.4Very high15 Ų1549.6 Ų49.67%0.07426%0.259CS..EExtended strand (participates in β ladder)trans-156.9156.9178.757.1-169.458.300111.4Q71 L72 L74 S96 V107 L176 F180Q71-M178 CarbonylContact C-O 3.6Å; L72-M178 WeakPolarHBondContact CB-O 3.31Å; L72-M178 PolarHBondContact N-O 3.3Å; L72-M178 PolarHBondContact O-N 3.35Å; L74-M178 HydrophobicContact CD1-CE 3.81Å; L74-M178 HydrophobicContact CD1-SD 4.23Å; L74-M178 HydrophobicContact CD2-CE 4.48Å; L74-M178 HydrophobicContact CD2-CG 3.99Å; L74-M178 HydrophobicContact CD2-SD 3.92Å; L74-M178 HydrophobicContact CG-CE 4.38Å; L74-M178 HydrophobicContact CG-SD 4.45Å; S96-M178 WeakPolarHBondContact CB-SD 3.47Å; V107-M178 HydrophobicContact CB-CE 4.39Å; V107-M178 HydrophobicContact CB-SD 3.82Å; V107-M178 HydrophobicContact CG2-CE 3.82Å; V107-M178 HydrophobicContact CG2-SD 3.93Å; L176-M178 HydrophobicContact CD1-CE 4.2Å; L176-M178 HydrophobicContact CD2-CE 3.97Å; L176-M178 HydrophobicContact CG-CE 3.82Å; M178-F180 HydrophobicContact CG-CD2 4.26Å; M178-F180 HydrophobicContact SD-CD2 4.23Å
179D97.4Very high93Very high42 Ų4242.7 Ų42.723%0.22524%0.238CC..EExtended strand (participates in β ladder)trans-67.8137.3165.3-72.8-2.9000108.8L68 I69 K70 Q71 F97L68-D179 HydrophobicContact CD1-CB 4.23Å; I69-D179 CarbonylContact O-C 3.55Å; I69-D179 WeakPolarHBondContact O-CA 3.42Å; K70-D179 WeakPolarHBondContact CA-OD1 3.38Å; Q71-D179 PolarHBondContact N-OD1 3.41Å; F97-D179 HydrophobicContact CB-CB 4.12Å; F97-D179 HydrophobicContact CD1-CB 4.46Å; F97-D179 PolarHBondContact N-O 2.86Å
180F96.9Very high92.9Very high0 Ų045.6 Ų45.60%026%0.262CS..EExtended strand (participates in β ladder)trans-138.3123-169.5-153.7-100.9000110.9I69 L72 L77 G94 V107 L109 M178 I182I69-F180 PolarHBondContact N-O 3.25Å; I69-F180 PolarHBondContact O-N 2.92Å; L72-F180 HydrophobicContact CB-CB 4.16Å; L72-F180 HydrophobicContact CD2-CB 3.68Å; L72-F180 HydrophobicContact CD2-CD1 3.86Å; L72-F180 HydrophobicContact CD2-CD2 4.41Å; L72-F180 HydrophobicContact CD2-CG 3.74Å; L77-F180 HydrophobicContact CD1-CE1 4.36Å; L77-F180 HydrophobicContact CD1-CZ 4.11Å; L77-F180 HydrophobicContact CD2-CE1 4.45Å; G94-F180 VanDerWaalsContact CA-CE1 3.45Å; V107-F180 HydrophobicContact CB-CE2 4.29Å; V107-F180 HydrophobicContact CG1-CE2 4.22Å; L109-F180 HydrophobicContact CB-CZ 4.41Å; M178-F180 HydrophobicContact CG-CD2 4.26Å; M178-F180 HydrophobicContact SD-CD2 4.23Å; F180-I182 HydrophobicContact CD1-CB 4.31Å
181L97.2Very high92.8Very high8 Ų846.4 Ų46.44%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-83.6132.5169.1-66.8175.6000108.9F66 Y67 L68 G94 L95 F97 L273 F306F66-L181 HydrophobicContact CD2-CD2 3.97Å; F66-L181 HydrophobicContact CE2-CD2 4Å; Y67-L181 CarbonylContact O-C 3.55Å; Y67-L181 WeakPolarHBondContact O-CA 3.36Å; L68-L181 HydrophobicContact CB-CD2 4.08Å; L68-L181 HydrophobicContact CD1-CD2 3.95Å; G94-L181 CarbonylContact C-O 3.59Å; G94-L181 VanDerWaalsContact CA-O 3.26Å; G94-L181 WeakPolarHBondContact CA-O 3.29Å; L95-L181 PolarHBondContact N-O 2.81Å; L95-L181 PolarHBondContact O-N 3.32Å; F97-L181 HydrophobicContact CB-CG 4.05Å; F97-L181 HydrophobicContact CD2-CD1 3.54Å; F97-L181 HydrophobicContact CD2-CD2 4.37Å; F97-L181 HydrophobicContact CD2-CG 3.86Å; F97-L181 HydrophobicContact CE2-CD1 4.04Å; F97-L181 HydrophobicContact CG-CD1 4.22Å; F97-L181 HydrophobicContact CG-CD2 4.42Å; F97-L181 HydrophobicContact CG-CG 4.02Å; L181-L273 HydrophobicContact CB-CD2 4.21Å; L181-F306 HydrophobicContact CD1-CE1 3.9Å; L181-F306 HydrophobicContact CD1-CZ 3.99Å
182I96.3Very high92.9Very high0 Ų042.9 Ų42.90%025%0.25CS..EExtended strand (participates in β ladder)trans-141.3139.6177.8-166167.5000111.9Y67 I69 F82 V92 Y93 F180 L192 L195Y67-I182 PolarHBondContact N-O 2.78Å; Y67-I182 PolarHBondContact O-N 3.17Å; I69-I182 HydrophobicContact CD1-CG2 3.85Å; I69-I182 HydrophobicContact CG1-CG2 4.17Å; F82-I182 HydrophobicContact CE2-CD1 4.13Å; F82-I182 HydrophobicContact CZ-CD1 4.04Å; V92-I182 HydrophobicContact CG1-CD1 3.72Å; V92-I182 HydrophobicContact CG1-CG1 3.77Å; Y93-I182 CarbonylContact O-C 3.5Å; Y93-I182 VanDerWaalsContact O-CA 3.27Å; Y93-I182 WeakPolarHBondContact O-CA 3.41Å; F180-I182 HydrophobicContact CD1-CB 4.31Å; I182-L192 HydrophobicContact CD1-CD2 3.76Å; I182-L192 HydrophobicContact CG1-CD1 4.15Å; I182-L192 HydrophobicContact CG1-CD2 4.03Å; I182-L192 HydrophobicContact CG2-CD1 4.15Å; I182-L195 HydrophobicContact CD1-CD2 3.77Å
183S95.9Very high93Very high1 Ų147.3 Ų47.31%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-145.2164.4168.3-171.90000110S65 Y93S65-S183 PolarHBondContact O-OG 2.8Å; Y93-S183 PolarHBondContact N-O 2.82Å; Y93-S183 PolarHBondContact O-N 2.9Å
184H94.7Very high93.1Very high3 Ų343.8 Ų43.81%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-141.5136.7-175.1176.1-91.5000111.5A86 G90 S91 G187 G188 S191 L192A86-H184 PolarHBondContact O-NE2 2.97Å; G90-H184 WeakPolarHBondContact CA-NE2 3.27Å; S91-H184 VanDerWaalsContact O-CA 3.3Å; S91-H184 WeakPolarHBondContact O-CA 3.27Å; S91-H184 PolarHBondContact O-CD2 2.81Å; H184-G187 PolarHBondContact CE1-N 3.31Å; H184-G187 VanDerWaalsContact CE1-N 3.27Å; H184-G187 VanDerWaalsContact ND1-CA 3.34Å; H184-G187 WeakPolarHBondContact ND1-CA 3.3Å; H184-G187 PolarHBondContact ND1-N 2.87Å; H184-G188 PolarHBondContact ND1-N 3.33Å; H184-G188 VanDerWaalsContact O-CA 3.25Å; H184-G188 WeakPolarHBondContact O-CA 3.39Å; H184-G188 PolarHBondContact O-N 2.85Å; H184-S191 WeakPolarHBondContact CE1-CB 3.49Å; H184-S191 PolarHBondContact CE1-OG 3.48Å; H184-S191 VanDerWaalsContact ND1-CB 3.31Å; H184-S191 WeakPolarHBondContact ND1-CB 3.44Å; H184-S191 PolarHBondContact ND1-OG 3.32Å; H184-L192 HydrophobicContact CB-CD1 4.08Å; H184-L192 HydrophobicContact CB-CD2 3.99Å; H184-L192 HydrophobicContact CB-CG 3.88Å
185H92.1Very high93.2Very high65 Ų6541.5 Ų41.530%0.30123%0.229SC..EExtended strand (participates in β ladder)trans-121.5137.4172.4-178.585.4000110.3S91 Y93 L275S91-H185 PolarHBondContact N-O 2.98Å; S91-H185 PolarHBondContact O-N 3.1Å; Y93-H185 HydrophobicContact CE2-CB 4.34Å; H185-L275 HydrophobicContact CB-CD1 4.05Å
186P88.9Confident93.4Very high99 Ų9934.4 Ų34.464%0.64320%0.198SC*.THydrogen-bonded Turncis-86.6-11.5-3.133.8-35.2000113.8G188P186-G188 VanDerWaalsContact C-N 3.29Å; P186-G188 PolarHBondContact O-N 3.06Å
187G79.2Confident93.5Very high30 Ų3038 Ų3831%0.30923%0.225SC..THydrogen-bonded Turntrans-75.8-3.7-167.500000116.9H184 A190 S191H184-G187 PolarHBondContact CE1-N 3.31Å; H184-G187 VanDerWaalsContact CE1-N 3.27Å; H184-G187 VanDerWaalsContact ND1-CA 3.34Å; H184-G187 WeakPolarHBondContact ND1-CA 3.3Å; H184-G187 PolarHBondContact ND1-N 2.87Å; G187-A190 WeakPolarHBondContact O-CB 3.46Å; G187-A190 PolarHBondContact O-N 2.97Å; G187-S191 PolarHBondContact O-N 3.46Å
188G87.5Confident93.4Very high24 Ų2438.8 Ų38.825%0.24722%0.224CC..Hα-helixtrans49.7-140.917800000113.8H184 P186 A190 S191H184-G188 PolarHBondContact ND1-N 3.33Å; H184-G188 VanDerWaalsContact O-CA 3.25Å; H184-G188 WeakPolarHBondContact O-CA 3.39Å; H184-G188 PolarHBondContact O-N 2.85Å; P186-G188 VanDerWaalsContact C-N 3.29Å; P186-G188 PolarHBondContact O-N 3.06Å; G188-A190 PolarHBondContact O-N 3.34Å; G188-S191 PolarHBondContact O-N 3.1Å
189G88.6Confident93.3Very high16 Ų1639 Ų3917%0.16523%0.226CC..Hα-helixtrans-62.3-24.7178.100000115Y67 L192 R193Y67-G189 VanDerWaalsContact OH-CA 3.24Å; Y67-G189 WeakPolarHBondContact OH-CA 3.44Å; G189-L192 PolarHBondContact O-N 3.21Å; G189-R193 WeakPolarHBondContact O-CG 3.12Å; G189-R193 PolarHBondContact O-N 3.01Å
190A92.3Very high93.2Very high61 Ų6143.3 Ų43.350%0.50425%0.249SC..Hα-helixtrans-64.9-42.5-178.600000111.8G187 G188 L192 R193G187-A190 WeakPolarHBondContact O-CB 3.46Å; G187-A190 PolarHBondContact O-N 2.97Å; G188-A190 PolarHBondContact O-N 3.34Å; A190-L192 VanDerWaalsContact C-N 3.29Å; A190-L192 PolarHBondContact O-N 2.98Å; A190-R193 WeakPolarHBondContact O-CB 3.38Å; A190-R193 WeakPolarHBondContact O-CG 3.47Å; A190-R193 PolarHBondContact O-N 2.87Å
191S93.3Very high93.2Very high19 Ų1948.6 Ų48.613%0.13327%0.269CS..Hα-helixtrans-68.1-28174.4-68.50000112.9S85 H184 G187 G188 R193S85-S191 WeakPolarHBondContact O-CB 3.35Å; S85-S191 PolarHBondContact O-OG 2.99Å; S85-S191 PolarHBondContact OG-O 2.83Å; S85-S191 VanDerWaalsContact OG-O 3.09Å; H184-S191 WeakPolarHBondContact CE1-CB 3.49Å; H184-S191 PolarHBondContact CE1-OG 3.48Å; H184-S191 VanDerWaalsContact ND1-CB 3.31Å; H184-S191 WeakPolarHBondContact ND1-CB 3.44Å; H184-S191 PolarHBondContact ND1-OG 3.32Å; G187-S191 PolarHBondContact O-N 3.46Å; G188-S191 PolarHBondContact O-N 3.1Å; S191-R193 VanDerWaalsContact C-N 3.35Å
192L95.2Very high93.2Very high0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-85.3-6.7-179-61.1177.2000113.5Y67 F82 A86 V92 I182 H184 G189 A190 P194 L195 L196Y67-L192 HydrophobicContact CD2-CD1 3.74Å; Y67-L192 HydrophobicContact CE2-CD1 4.05Å; F82-L192 HydrophobicContact CE2-CD2 3.8Å; A86-L192 HydrophobicContact CB-CD2 4.1Å; V92-L192 HydrophobicContact CG1-CD2 4.44Å; I182-L192 HydrophobicContact CD1-CD2 3.76Å; I182-L192 HydrophobicContact CG1-CD1 4.15Å; I182-L192 HydrophobicContact CG1-CD2 4.03Å; I182-L192 HydrophobicContact CG2-CD1 4.15Å; H184-L192 HydrophobicContact CB-CD1 4.08Å; H184-L192 HydrophobicContact CB-CD2 3.99Å; H184-L192 HydrophobicContact CB-CG 3.88Å; G189-L192 PolarHBondContact O-N 3.21Å; A190-L192 VanDerWaalsContact C-N 3.29Å; A190-L192 PolarHBondContact O-N 2.98Å; L192-P194 VanDerWaalsContact C-CD 3.45Å; L192-P194 VanDerWaalsContact C-N 3.34Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-L196 HydrophobicContact CB-CD1 3.78Å; L192-L196 HydrophobicContact CB-CG 4Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.82Å
193R95.1Very high93.2Very high177 Ų17756.4 Ų56.467%0.66831%0.308SS*.Hα-helixtrans-49.1-43.6-175.9-77.4179.8179.3-1751114.6G189 A190 S191 L195 L196 S197G189-R193 WeakPolarHBondContact O-CG 3.12Å; G189-R193 PolarHBondContact O-N 3.01Å; A190-R193 WeakPolarHBondContact O-CB 3.38Å; A190-R193 WeakPolarHBondContact O-CG 3.47Å; A190-R193 PolarHBondContact O-N 2.87Å; S191-R193 VanDerWaalsContact C-N 3.35Å; R193-L195 VanDerWaalsContact C-N 3.29Å; R193-L195 PolarHBondContact O-N 2.83Å; R193-L196 PolarHBondContact O-N 3.25Å; R193-S197 VanDerWaalsContact O-CB 3.31Å; R193-S197 WeakPolarHBondContact O-CB 3.39Å; R193-S197 PolarHBondContact O-N 3.33Å; R193-S197 PolarHBondContact O-OG 2.88Å
194P95.3Very high93.2Very high29 Ų2963 Ų6319%0.18833%0.333CS..Hα-helixtrans-59.8-39.5-179.3-28.639.9000113.1D81 F82 S85 L192 S197D81-P194 HydrophobicContact CB-CB 3.8Å; D81-P194 HydrophobicContact CB-CG 4.12Å; F82-P194 HydrophobicContact CB-CB 4.38Å; S85-P194 WeakPolarHBondContact OG-CG 3.23Å; L192-P194 VanDerWaalsContact C-CD 3.45Å; L192-P194 VanDerWaalsContact C-N 3.34Å; P194-S197 PolarHBondContact O-OG 3.29Å
195L95.6Very high93.3Very high1 Ų170.8 Ų70.81%0.00536%0.362CS..Hα-helixtrans-72.5-48.6175.4-175.466.7000111.8I69 L72 E76 L77 F82 I182 L192 R193 S197 R198 C199I69-L195 HydrophobicContact CD1-CD2 3.66Å; I69-L195 HydrophobicContact CD1-CG 4.01Å; L72-L195 HydrophobicContact CD1-CD1 4.03Å; E76-L195 HydrophobicContact CB-CD1 3.76Å; L77-L195 HydrophobicContact CD2-CD2 3.89Å; F82-L195 HydrophobicContact CB-CB 4.44Å; F82-L195 HydrophobicContact CD2-CB 3.6Å; F82-L195 HydrophobicContact CD2-CD2 4.14Å; F82-L195 HydrophobicContact CD2-CG 4.4Å; F82-L195 HydrophobicContact CE2-CB 4.08Å; F82-L195 HydrophobicContact CE2-CD2 3.81Å; F82-L195 HydrophobicContact CG-CB 4.12Å; F82-L195 HydrophobicContact CZ-CD2 4.11Å; I182-L195 HydrophobicContact CD1-CD2 3.77Å; L192-L195 PolarHBondContact O-N 3.4Å; R193-L195 VanDerWaalsContact C-N 3.29Å; R193-L195 PolarHBondContact O-N 2.83Å; L195-S197 VanDerWaalsContact C-N 3.28Å; L195-S197 PolarHBondContact O-N 2.86Å; L195-R198 PolarHBondContact O-N 2.86Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-C199 PolarHBondContact O-SG 3.18Å; L195-C199 VanDerWaalsContact O-SG 3.39Å
196L95.4Very high93.5Very high9 Ų968.1 Ų68.15%0.04735%0.35CS..Hα-helixtrans-65-29.9-175.6-66.1-179.9000112.8Y67 I69 L192 R193 R198 W201Y67-L196 HydrophobicContact CD1-CD1 3.83Å; Y67-L196 HydrophobicContact CD1-CD2 4.36Å; Y67-L196 HydrophobicContact CD2-CD1 4.26Å; Y67-L196 HydrophobicContact CE1-CD1 3.95Å; Y67-L196 HydrophobicContact CE2-CD1 4.38Å; Y67-L196 HydrophobicContact CG-CD1 4.01Å; Y67-L196 HydrophobicContact CG-CD2 4.21Å; I69-L196 HydrophobicContact CD1-CD2 3.91Å; I69-L196 HydrophobicContact CG1-CD2 3.99Å; L192-L196 HydrophobicContact CB-CD1 3.78Å; L192-L196 HydrophobicContact CB-CG 4Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.82Å; R193-L196 PolarHBondContact O-N 3.25Å; L196-R198 PolarHBondContact O-N 3.04Å; L196-W201 HydrophobicContact CB-CG 4.37Å; L196-W201 HydrophobicContact CD2-CB 3.92Å; L196-W201 HydrophobicContact CD2-CD2 4.27Å; L196-W201 HydrophobicContact CD2-CG 3.74Å; L196-W201 PolarHBondContact O-NE1 3.39Å
197S95.4Very high93.8Very high96 Ų9670 Ų7067%0.67135%0.351SS*.THydrogen-bonded Turntrans-67.4-13.4177.466.60000114.5R193 P194 L195R193-S197 VanDerWaalsContact O-CB 3.31Å; R193-S197 WeakPolarHBondContact O-CB 3.39Å; R193-S197 PolarHBondContact O-N 3.33Å; R193-S197 PolarHBondContact O-OG 2.88Å; P194-S197 PolarHBondContact O-OG 3.29Å; L195-S197 VanDerWaalsContact C-N 3.28Å; L195-S197 PolarHBondContact O-N 2.86Å
198R93.1Very high94.6Very high120 Ų12070.2 Ų70.245%0.45335%0.346SS..THydrogen-bonded Turntrans-116.4-0.9-172.2-60.1179.857.5-94-2.7113.4E76 L195 L196E76-R198 VanDerWaalsContact CD-CZ 3.5Å; E76-R198 IonicContact OE1-CZ 3.04Å; E76-R198 IonicContact OE1-NH1 3.76Å; E76-R198 PolarHBondContact OE1-NH1 3.18Å; E76-R198 IonicContact OE1-NH2 2.8Å; E76-R198 PolarHBondContact OE1-NH2 2.96Å; E76-R198 IonicContact OE2-CZ 3.62Å; E76-R198 IonicContact OE2-NH1 3.39Å; E76-R198 PolarHBondContact OE2-NH1 2.81Å; E76-R198 IonicContact OE2-NH2 3.21Å; E76-R198 PolarHBondContact OE2-NH2 3.33Å; L195-R198 PolarHBondContact O-N 2.86Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L196-R198 PolarHBondContact O-N 3.04Å
199C94.2Very high94.8Very high19 Ų1971.7 Ų71.713%0.12835%0.352CS..SBendtrans-133.7158.4-175.8-49.80000110.6I69 L195 W201I69-C199 HydrophobicContact CG2-CB 3.42Å; I69-C199 VanDerWaalsContact CG2-CB 3.42Å; L195-C199 PolarHBondContact O-SG 3.18Å; L195-C199 VanDerWaalsContact O-SG 3.39Å; C199-W201 VanDerWaalsContact O-CD1 3.29Å
200D95.1Very high94.9Very high133 Ų13378.6 Ų78.671%0.71137%0.374SS*.  trans-80.7124.1170.1-70.2-28.7000110I69 K70I69-D200 WeakPolarHBondContact CA-O 3.37Å; K70-D200 PolarHBondContact N-O 3.3Å
201W97.1Very high94.7Very high110 Ų11079.5 Ų79.542%0.41736%0.364SS..EExtended strand (participates in β ladder)trans-137.4159.2-176.360.4-93.5000113.7Y67 L68 I69 L196 C199 E203Y67-W201 HydrophobicContact CD1-CD2 4.31Å; Y67-W201 AromaticContact CD1-CE3 3.66Å; Y67-W201 HydrophobicContact CD1-CE3 3.66Å; Y67-W201 AromaticContact CD1-CZ3 3.95Å; Y67-W201 HydrophobicContact CD1-CZ3 3.95Å; Y67-W201 HydrophobicContact CE1-CE3 4.13Å; Y67-W201 HydrophobicContact CE1-CH2 4.48Å; Y67-W201 AromaticContact CE1-CZ3 3.93Å; Y67-W201 HydrophobicContact CE1-CZ3 3.93Å; L68-W201 CarbonylContact O-C 3.54Å; L68-W201 VanDerWaalsContact O-CA 3.24Å; L68-W201 WeakPolarHBondContact O-CA 3.39Å; I69-W201 HydrophobicContact CG1-CB 4.18Å; L196-W201 HydrophobicContact CB-CG 4.37Å; L196-W201 HydrophobicContact CD2-CB 3.92Å; L196-W201 HydrophobicContact CD2-CD2 4.27Å; L196-W201 HydrophobicContact CD2-CG 3.74Å; L196-W201 PolarHBondContact O-NE1 3.39Å; C199-W201 VanDerWaalsContact O-CD1 3.29Å; W201-E203 HydrophobicContact CE3-CB 4.28Å; W201-E203 HydrophobicContact CZ3-CB 3.76Å
202L96.9Very high94.4Very high80 Ų8081.9 Ų81.942%0.41939%0.392SS..EExtended strand (participates in β ladder)trans-126.9121.6172.4-62.4173000109.1Y67 L68Y67-L202 WeakPolarHBondContact CA-O 3.1Å; L68-L202 PolarHBondContact N-O 2.93Å; L68-L202 PolarHBondContact O-N 3.27Å
203E97Very high93.9Very high93 Ų9383.5 Ų83.544%0.43540%0.4SS..EExtended strand (participates in β ladder)trans-75.2137168.9-176.8172.1173.600109.5S65 Y67 W201S65-E203 WeakPolarHBondContact CB-OE1 3.48Å; S65-E203 PolarHBondContact OG-OE1 3.45Å; Y67-E203 HydrophobicContact CD1-CB 3.87Å; Y67-E203 HydrophobicContact CD1-CG 4.21Å; Y67-E203 HydrophobicContact CE1-CB 3.67Å; Y67-E203 HydrophobicContact CE1-CG 3.71Å; W201-E203 HydrophobicContact CE3-CB 4.28Å; W201-E203 HydrophobicContact CZ3-CB 3.76Å
204R96.1Very high93.3Very high139 Ų13979.6 Ų79.653%0.52540%0.4SS..EExtended strand (participates in β ladder)trans-134.4148.7-179.9-61.2-66.7-69.5-158.9-2.5108.6S65 F66S65-R204 WeakPolarHBondContact CA-O 3.28Å; F66-R204 HydrophobicContact CD2-CB 3.97Å; F66-R204 HydrophobicContact CE1-CB 4.09Å; F66-R204 HydrophobicContact CE2-CB 3.49Å; F66-R204 VanDerWaalsContact CE2-CB 3.49Å; F66-R204 HydrophobicContact CE2-CG 4.12Å; F66-R204 HydrophobicContact CG-CB 4.46Å; F66-R204 HydrophobicContact CZ-CB 3.56Å; F66-R204 HydrophobicContact CZ-CG 4.49Å; F66-R204 PolarHBondContact N-O 3.4Å; F66-R204 PolarHBondContact O-N 2.64Å; F66-R204 VanDerWaalsContact O-O 3.07Å
205R95.5Very high92.5Very high166 Ų16687.2 Ų87.263%0.62643%0.425SS*.  trans-108.8155.4165.1-70.4-171174.9-167.80.2109.5E207R205-E207 PolarHBondContact O-N 3.39Å
206P96.3Very high91.9Very high10 Ų1087.9 Ų87.97%0.06543%0.429CS..  trans-53.6134.4171.2-27.637.8000111F63 F66 V208 A270 C271 L274F63-P206 HydrophobicContact CB-CG 3.86Å; F63-P206 HydrophobicContact CD2-CG 4.46Å; F66-P206 HydrophobicContact CE1-CG 4.27Å; P206-V208 PolarHBondContact O-N 2.92Å; P206-A270 HydrophobicContact CB-CB 4.21Å; P206-C271 CarbonylContact C-O 3.58Å; P206-C271 VanDerWaalsContact CA-O 3.3Å; P206-C271 WeakPolarHBondContact CA-O 3.36Å; P206-L274 HydrophobicContact CB-CD2 3.76Å; P206-L274 HydrophobicContact CG-CD2 3.69Å
207E96.6Very high91.3Very high138 Ų13889.6 Ų89.665%0.64544%0.439SS*.EExtended strand (participates in β ladder)trans-78.3111.5175.6-176.8177.3171.500108.6R205 A270 C271R205-E207 PolarHBondContact O-N 3.39Å; E207-A270 CarbonylContact O-C 3.58Å; E207-A270 VanDerWaalsContact O-CA 3.3Å; E207-A270 WeakPolarHBondContact O-CA 3.48Å; E207-C271 PolarHBondContact N-O 3.27Å; E207-C271 PolarHBondContact O-N 2.78Å
208V94.9Very high90.7Very high35 Ų3586.8 Ų86.821%0.21241%0.414CS..EExtended strand (participates in β ladder)trans-91.6129.2179.3-176.30000109.4L60 P206 S269 A270L60-V208 HydrophobicContact CB-CG1 4.01Å; L60-V208 HydrophobicContact CB-CG2 3.84Å; L60-V208 HydrophobicContact CD1-CG1 4.05Å; P206-V208 PolarHBondContact O-N 2.92Å; V208-S269 CarbonylContact C-O 3.58Å; V208-S269 VanDerWaalsContact CA-O 3.31Å; V208-S269 WeakPolarHBondContact CA-O 3.36Å; V208-A270 HydrophobicContact CG2-CB 4.26Å
209S92.3Very high90.4Very high55 Ų5581.1 Ų81.139%0.38539%0.393SS..EExtended strand (participates in β ladder)trans-126.7152.4173.371.30000110.9M268 S269S209-M268 CarbonylContact O-C 3.58Å; S209-M268 WeakPolarHBondContact O-CA 3.49Å; S209-S269 PolarHBondContact N-O 3.48Å; S209-S269 PolarHBondContact O-N 2.69Å; S209-S269 PolarHBondContact OG-OG 3.46Å
210R89.6Confident90.1Very high161 Ų16181 Ų8161%0.60839%0.394SS*.EExtended strand (participates in β ladder)trans-135.1143.6-179.970.4-175.9-170.1-174.32.7110.6E57 S267 M268E57-R210 IonicContact OE1-NH1 2.71Å; E57-R210 IonicContact OE2-NH1 2.78Å; E57-R210 PolarHBondContact OE2-NH1 2.85Å; R210-S267 CarbonylContact C-O 3.57Å; R210-M268 HydrophobicContact CB-CG 4.32Å
211R88.3Confident89.6Confident79 Ų7975 Ų7530%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-142.8122179.3-174.5175.161.8-152.4-5.8110L213 V236 D237 A239 S267R211-L213 HydrophobicContact CG-CD2 4.25Å; R211-V236 PolarHBondContact NH2-O 3.25Å; R211-D237 PolarHBondContact NH1-O 3.11Å; R211-D237 PolarHBondContact NH2-O 3.15Å; R211-A239 VanDerWaalsContact NH1-CB 3.3Å; R211-S267 PolarHBondContact N-O 2.84Å; R211-S267 PolarHBondContact O-N 3.48Å
212G87.1Confident89Confident70 Ų7075.6 Ų75.672%0.72236%0.363SS*.EExtended strand (participates in β ladder)trans-77.5137.9166.800000110.1
213L85.4Confident88.4Confident33 Ų3376.3 Ų76.317%0.17338%0.375CS..EExtended strand (participates in β ladder)trans-118.2134.9177.1-61.1172.9000108.2L45 R211 V236 R264 A265L45-L213 HydrophobicContact CD1-CD1 3.81Å; R211-L213 HydrophobicContact CG-CD2 4.25Å; L213-V236 HydrophobicContact CD1-CG1 3.6Å; L213-R264 CarbonylContact O-C 3.53Å; L213-R264 WeakPolarHBondContact O-CA 3.27Å; L213-A265 HydrophobicContact CB-CB 4.12Å; L213-A265 HydrophobicContact CD1-CB 4.48Å; L213-A265 PolarHBondContact N-O 3.46Å; L213-A265 PolarHBondContact O-N 3.36Å
214S82.4Confident87.8Confident96 Ų9672.7 Ų72.767%0.67136%0.36SS*.EExtended strand (participates in β ladder)trans-113.7142.7175.757.30000110L216S214-L216 PolarHBondContact O-N 3.07Å
215R79.2Confident87.4Confident188 Ų18869.6 Ų69.671%0.70935%0.354SS*.EExtended strand (participates in β ladder)trans54.750.8176.2-57.5-179.9176.9-177.8-1.7112.7V217 T261 V262 S263R215-V217 PolarHBondContact O-N 3.16Å; R215-T261 HydrophobicContact CB-CG2 4.49Å; R215-V262 CarbonylContact C-O 3.54Å; R215-V262 VanDerWaalsContact CA-O 3.31Å; R215-V262 WeakPolarHBondContact CA-O 3.2Å; R215-V262 PolarHBondContact N-O 3.46Å; R215-S263 PolarHBondContact N-O 3.45Å
216L82.6Confident87Confident16 Ų1662.8 Ų62.88%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-72.4114.9176.3177.366.5000109.3L45 S214 R218 W232 V236 V262 A265L45-L216 HydrophobicContact CD1-CD2 4.42Å; S214-L216 PolarHBondContact O-N 3.07Å; L216-R218 PolarHBondContact O-N 3.24Å; L216-W232 HydrophobicContact CD1-CZ2 3.88Å; L216-W232 HydrophobicContact CD2-CH2 4.37Å; L216-W232 HydrophobicContact CD2-CZ2 4.07Å; L216-W232 HydrophobicContact CG-CZ2 4.02Å; L216-V236 HydrophobicContact CD1-CG1 4.18Å; L216-V236 HydrophobicContact CD1-CG2 3.62Å; L216-V262 HydrophobicContact CB-CB 4.28Å; L216-V262 PolarHBondContact N-O 2.84Å; L216-V262 PolarHBondContact O-N 2.89Å; L216-A265 HydrophobicContact CB-CB 4.27Å; L216-A265 HydrophobicContact CD2-CB 3.69Å
217V82.2Confident86.6Confident45 Ų4567.9 Ų67.927%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-76.6121.4172.3-1710000108.4R215 W232 C255 P258R215-V217 PolarHBondContact O-N 3.16Å; V217-W232 WeakPolarHBondContact O-CZ2 3.35Å; V217-W232 PolarHBondContact O-NE1 2.91Å; V217-C255 HydrophobicContact CG1-CB 4.46Å; V217-C255 WeakPolarHBondContact CG1-SG 3.38Å; V217-P258 HydrophobicContact CG1-CB 3.42Å; V217-P258 VanDerWaalsContact CG1-CB 3.42Å
218R83.8Confident86.1Confident36 Ų3664.2 Ų64.214%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-105.5126-173.6-168.7-163.572179.6-2.6110.3L216 L221 W232 E259 A260 V262 W298L216-R218 PolarHBondContact O-N 3.24Å; R218-L221 HydrophobicContact CG-CD1 4.31Å; R218-L221 HydrophobicContact CG-CD2 4.43Å; R218-L221 HydrophobicContact CG-CG 4.17Å; R218-W232 HydrophobicContact CG-CH2 4.49Å; R218-E259 IonicContact CZ-OE2 3.76Å; R218-E259 IonicContact NE-OE2 2.69Å; R218-E259 IonicContact NH2-OE2 3.49Å; R218-E259 PolarHBondContact NH2-OE2 3.07Å; R218-E259 PolarHBondContact O-N 3.27Å; R218-A260 WeakPolarHBondContact CB-O 3.3Å; R218-A260 PolarHBondContact N-O 2.91Å; R218-A260 PolarHBondContact O-N 2.58Å; R218-V262 HydrophobicContact CB-CG2 4.24Å; R218-W298 HydrophobicContact CG-CZ2 4.38Å
219P86.6Confident85.8Confident1 Ų162.6 Ų62.61%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-73.517017032.3-35.2000111.1L221 L229 W232 L256P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 HydrophobicContact CG-CD2 4.3Å; P219-L221 PolarHBondContact O-N 3.16Å; P219-L229 HydrophobicContact CG-CD1 4.4Å; P219-W232 HydrophobicContact CG-CD2 3.77Å; P219-W232 HydrophobicContact CG-CE3 3.88Å; P219-W232 HydrophobicContact CG-CG 4.07Å; P219-W232 HydrophobicContact CG-CZ3 4.37Å; P219-L256 HydrophobicContact CB-CB 4.06Å; P219-L256 HydrophobicContact CB-CD1 4Å; P219-L256 HydrophobicContact CG-CD1 4.36Å
220A86.6Confident85.7Confident18 Ų1861.5 Ų61.515%0.14932%0.318CS..  trans-69.785.4174.900000112R222 S223 C224 E259A220-R222 PolarHBondContact O-N 3.28Å; A220-S223 WeakPolarHBondContact CB-OG 3.43Å; A220-S223 PolarHBondContact O-N 2.75Å; A220-C224 WeakPolarHBondContact O-CB 3.07Å; A220-C224 PolarHBondContact O-N 3.16Å; A220-E259 VanDerWaalsContact CA-OE2 3.31Å; A220-E259 WeakPolarHBondContact CA-OE2 3.25Å; A220-E259 HydrophobicContact CB-CB 4.06Å; A220-E259 HydrophobicContact CB-CG 4.25Å
221L85.3Confident85.7Confident5 Ų559.4 Ų59.43%0.02632%0.315CS..THydrogen-bonded Turntrans-52.9-28.7-170.4-65.4179.7000114.6R218 P219 L229 W232 W298 L331 F333 R339R218-L221 HydrophobicContact CG-CD1 4.31Å; R218-L221 HydrophobicContact CG-CD2 4.43Å; R218-L221 HydrophobicContact CG-CG 4.17Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 HydrophobicContact CG-CD2 4.3Å; P219-L221 PolarHBondContact O-N 3.16Å; L221-L229 HydrophobicContact CD2-CD1 3.63Å; L221-W232 HydrophobicContact CD2-CZ3 4.04Å; L221-W298 HydrophobicContact CD1-CB 4.24Å; L221-W298 HydrophobicContact CD1-CD2 3.39Å; L221-W298 VanDerWaalsContact CD1-CE2 3.47Å; L221-W298 HydrophobicContact CD1-CE3 4.03Å; L221-W298 HydrophobicContact CD1-CG 3.45Å; L221-W298 VanDerWaalsContact CD1-CG 3.45Å; L221-W298 HydrophobicContact CD1-CZ2 4.16Å; L221-L331 HydrophobicContact CB-CD2 4.18Å; L221-L331 HydrophobicContact CD2-CD2 4.42Å; L221-F333 HydrophobicContact CB-CE1 4.24Å; L221-F333 HydrophobicContact CB-CZ 4.27Å; L221-R339 PolarHBondContact O-NH1 3.32Å
222R84.3Confident85.7Confident124 Ų12456 Ų5647%0.46830%0.303SS..THydrogen-bonded Turntrans-92.5-10.6179.4-67.4-172.8-179.2-95.511114.5A220 F333 D335 T337 R339A220-R222 PolarHBondContact O-N 3.28Å; R222-F333 HydrophobicContact CG-CE1 4.05Å; R222-F333 HydrophobicContact CG-CZ 3.94Å; R222-D335 IonicContact CZ-OD2 2.7Å; R222-D335 IonicContact NH1-OD2 3.29Å; R222-D335 PolarHBondContact NH1-OD2 3.32Å; R222-D335 IonicContact NH2-OD1 3.59Å; R222-D335 PolarHBondContact NH2-OD1 3.16Å; R222-D335 IonicContact NH2-OD2 3.09Å; R222-D335 PolarHBondContact NH2-OD2 3Å; R222-T337 PolarHBondContact NH1-OG1 2.56Å; R222-R339 PolarHBondContact O-NH2 3.02Å
223S84.5Confident85.8Confident95 Ų9553.1 Ų53.166%0.66427%0.27SS*.THydrogen-bonded Turntrans-126-14.4179.851.50000113.7A220A220-S223 WeakPolarHBondContact CB-OG 3.43Å; A220-S223 PolarHBondContact O-N 2.75Å
224C84.3Confident86.1Confident16 Ų1653.3 Ų53.311%0.10828%0.28CS..SBendtrans-56.6144.6178-171.20000112.4A220 L229A220-C224 WeakPolarHBondContact O-CB 3.07Å; A220-C224 PolarHBondContact O-N 3.16Å; C224-L229 HydrophobicContact CB-CB 4.48Å
225D87.8Confident86.4Confident75 Ų7549.3 Ų49.340%0.40125%0.253SS..  trans-59.7139.9168.5-175.677.1000109.9H227 D228 L229D225-H227 VanDerWaalsContact C-N 3.32Å; D225-H227 PolarHBondContact O-N 2.94Å; D225-H227 VanDerWaalsContact OD2-CB 3.31Å; D225-H227 WeakPolarHBondContact OD2-CB 3.3Å; D225-H227 IonicContact OD2-CG 2.73Å; D225-H227 PolarHBondContact OD2-N 2.74Å; D225-H227 IonicContact OD2-ND1 2.9Å; D225-H227 PolarHBondContact OD2-ND1 2.93Å; D225-H227 VanDerWaalsContact OD2-ND1 3.09Å; D225-D228 HydrophobicContact CB-CB 4.08Å; D225-D228 PolarHBondContact O-N 2.93Å; D225-L229 WeakPolarHBondContact O-CB 3.31Å; D225-L229 PolarHBondContact O-N 3.39Å
226P87Confident86.8Confident22 Ų2241 Ų4114%0.14322%0.223CC..Hα-helixtrans-59.6-34179.7-2837.4000115.1L15 C17 L230L15-P226 HydrophobicContact CD2-CB 3.89Å; C17-P226 HydrophobicContact CB-CB 4.15Å; C17-P226 HydrophobicContact CB-CG 3.91Å; P226-L230 WeakPolarHBondContact O-CG 3.42Å; P226-L230 PolarHBondContact O-N 3.33Å; P226-L230 VanDerWaalsContact O-N 3.1Å
227H87.6Confident87Confident118 Ų11841.8 Ų41.855%0.54623%0.228SC..Hα-helixtrans-70.9-48.9-179.9-61.382.7000110.3D225 L229 L230 E231D225-H227 VanDerWaalsContact C-N 3.32Å; D225-H227 PolarHBondContact O-N 2.94Å; D225-H227 VanDerWaalsContact OD2-CB 3.31Å; D225-H227 WeakPolarHBondContact OD2-CB 3.3Å; D225-H227 IonicContact OD2-CG 2.73Å; D225-H227 PolarHBondContact OD2-N 2.74Å; D225-H227 IonicContact OD2-ND1 2.9Å; D225-H227 PolarHBondContact OD2-ND1 2.93Å; D225-H227 VanDerWaalsContact OD2-ND1 3.09Å; H227-L229 VanDerWaalsContact C-N 3.3Å; H227-L229 PolarHBondContact O-N 2.89Å; H227-L230 PolarHBondContact O-N 2.84Å; H227-L230 VanDerWaalsContact O-N 3.16Å; H227-E231 WeakPolarHBondContact O-CB 3.2Å; H227-E231 PolarHBondContact O-N 2.63Å
228D87.1Confident87.2Confident61 Ų6142.9 Ų42.933%0.32624%0.241SC..Hα-helixtrans-55.3-46.3175.6-74-9.2000111.2D225 L230 E231 W232 L256D225-D228 HydrophobicContact CB-CB 4.08Å; D225-D228 PolarHBondContact O-N 2.93Å; D228-L230 PolarHBondContact O-N 2.82Å; D228-E231 PolarHBondContact O-N 2.84Å; D228-W232 WeakPolarHBondContact O-CB 3.41Å; D228-W232 PolarHBondContact O-N 2.9Å; D228-L256 HydrophobicContact CB-CD1 3.61Å; D228-L256 HydrophobicContact CB-CD2 3.45Å; D228-L256 VanDerWaalsContact CB-CD2 3.45Å; D228-L256 HydrophobicContact CB-CG 4.12Å; D228-L256 VanDerWaalsContact CG-CD2 3.41Å; D228-L256 WeakPolarHBondContact O-CD1 3.46Å; D228-L256 WeakPolarHBondContact OD2-CD2 3.38Å
229L89Confident87.1Confident0 Ų044 Ų440%026%0.258CS..Hα-helixtrans-60.8-45.2177.3177.664.1000111.9P219 L221 C224 D225 H227 W232 I233 L331P219-L229 HydrophobicContact CG-CD1 4.4Å; L221-L229 HydrophobicContact CD2-CD1 3.63Å; C224-L229 HydrophobicContact CB-CB 4.48Å; D225-L229 WeakPolarHBondContact O-CB 3.31Å; D225-L229 PolarHBondContact O-N 3.39Å; H227-L229 VanDerWaalsContact C-N 3.3Å; H227-L229 PolarHBondContact O-N 2.89Å; L229-W232 HydrophobicContact CD1-CE3 4.03Å; L229-W232 HydrophobicContact CD1-CZ3 4.35Å; L229-W232 PolarHBondContact O-N 2.8Å; L229-I233 HydrophobicContact CD1-CD1 4.13Å; L229-I233 HydrophobicContact CD1-CG1 4.44Å; L229-I233 HydrophobicContact CG-CD1 4Å; L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.3Å; L229-I233 PolarHBondContact O-N 2.81Å; L229-L331 HydrophobicContact CD2-CD2 4.02Å
230L89.5Confident86.8Confident33 Ų3347.3 Ų47.317%0.17328%0.278CS..Hα-helixtrans-67.5-38.4178.1-76.3-179.7000112.5L15 P226 H227 D228 W232 I233 G234 N329 H341L15-L230 HydrophobicContact CD1-CD1 3.46Å; L15-L230 VanDerWaalsContact CD1-CD1 3.46Å; L15-L230 HydrophobicContact CD2-CD1 3.86Å; L15-L230 HydrophobicContact CG-CD1 4.33Å; P226-L230 WeakPolarHBondContact O-CG 3.42Å; P226-L230 PolarHBondContact O-N 3.33Å; P226-L230 VanDerWaalsContact O-N 3.1Å; H227-L230 PolarHBondContact O-N 2.84Å; H227-L230 VanDerWaalsContact O-N 3.16Å; D228-L230 PolarHBondContact O-N 2.82Å; L230-W232 VanDerWaalsContact C-N 3.35Å; L230-I233 PolarHBondContact O-N 2.78Å; L230-G234 PolarHBondContact O-N 2.99Å; L230-N329 HydrophobicContact CD2-CB 3.63Å; L230-H341 HydrophobicContact CD1-CB 4.1Å; L230-H341 HydrophobicContact CD2-CB 4.09Å; L230-H341 HydrophobicContact CG-CB 4.38Å
231E88.8Confident85.9Confident116 Ų11650.1 Ų50.154%0.54230%0.296SS..Hα-helixtrans-61.4-45.6174.3-177.3169.9-158.300110.5H227 D228 G234 A235 L253H227-E231 WeakPolarHBondContact O-CB 3.2Å; H227-E231 PolarHBondContact O-N 2.63Å; D228-E231 PolarHBondContact O-N 2.84Å; E231-G234 PolarHBondContact O-N 2.94Å; E231-A235 WeakPolarHBondContact O-CB 3.44Å; E231-A235 PolarHBondContact O-N 3.3Å; E231-L253 HydrophobicContact CG-CD1 4.43Å
232W88.7Confident85Confident9 Ų952 Ų523%0.03431%0.306CS..Hα-helixtrans-61.5-48.1174.6173.381.3000112.3L45 L216 V217 R218 P219 L221 D228 L229 L230 G234 A235 V236 L256 W298L45-W232 HydrophobicContact CD2-CH2 4.14Å; L45-W232 HydrophobicContact CD2-CZ3 4.37Å; L216-W232 HydrophobicContact CD1-CZ2 3.88Å; L216-W232 HydrophobicContact CD2-CH2 4.37Å; L216-W232 HydrophobicContact CD2-CZ2 4.07Å; L216-W232 HydrophobicContact CG-CZ2 4.02Å; V217-W232 WeakPolarHBondContact O-CZ2 3.35Å; V217-W232 PolarHBondContact O-NE1 2.91Å; R218-W232 HydrophobicContact CG-CH2 4.49Å; P219-W232 HydrophobicContact CG-CD2 3.77Å; P219-W232 HydrophobicContact CG-CE3 3.88Å; P219-W232 HydrophobicContact CG-CG 4.07Å; P219-W232 HydrophobicContact CG-CZ3 4.37Å; L221-W232 HydrophobicContact CD2-CZ3 4.04Å; D228-W232 WeakPolarHBondContact O-CB 3.41Å; D228-W232 PolarHBondContact O-N 2.9Å; L229-W232 HydrophobicContact CD1-CE3 4.03Å; L229-W232 HydrophobicContact CD1-CZ3 4.35Å; L229-W232 PolarHBondContact O-N 2.8Å; L230-W232 VanDerWaalsContact C-N 3.35Å; W232-G234 VanDerWaalsContact C-N 3.27Å; W232-G234 PolarHBondContact O-N 3.19Å; W232-A235 PolarHBondContact O-N 3.18Å; W232-V236 HydrophobicContact CD2-CG2 4.26Å; W232-V236 HydrophobicContact CZ2-CG2 4.1Å; W232-V236 VanDerWaalsContact O-CG2 3.28Å; W232-V236 WeakPolarHBondContact O-CG2 3.37Å; W232-V236 PolarHBondContact O-N 2.83Å; W232-L256 HydrophobicContact CB-CD1 4.15Å; W232-W298 AromaticContact CH2-CH2 3.7Å; W232-W298 HydrophobicContact CH2-CH2 3.7Å; W232-W298 HydrophobicContact CH2-CZ2 4.07Å; W232-W298 HydrophobicContact CZ3-CH2 4.18Å
233I90.3Very high84Confident9 Ų952.3 Ų52.35%0.04631%0.313CS..Hα-helixtrans-58.5-42.4176.4-69.9167.9000110.6L229 L230 V236 D237 T302L229-I233 HydrophobicContact CD1-CD1 4.13Å; L229-I233 HydrophobicContact CD1-CG1 4.44Å; L229-I233 HydrophobicContact CG-CD1 4Å; L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.3Å; L229-I233 PolarHBondContact O-N 2.81Å; L230-I233 PolarHBondContact O-N 2.78Å; I233-V236 PolarHBondContact O-N 2.86Å; I233-D237 PolarHBondContact O-N 3.07Å; I233-T302 WeakPolarHBondContact CG2-OG1 3.47Å
234G89.9Confident82.9Confident37 Ų3752 Ų5238%0.38130%0.304SS..Hα-helixtrans-63.2-44.4177.300000112.7L230 E231 W232 V236 D237 A238L230-G234 PolarHBondContact O-N 2.99Å; E231-G234 PolarHBondContact O-N 2.94Å; W232-G234 VanDerWaalsContact C-N 3.27Å; W232-G234 PolarHBondContact O-N 3.19Å; G234-V236 VanDerWaalsContact C-N 3.33Å; G234-V236 PolarHBondContact O-N 2.81Å; G234-D237 PolarHBondContact O-N 3.18Å; G234-A238 VanDerWaalsContact O-CB 3.31Å; G234-A238 WeakPolarHBondContact O-CB 3.5Å; G234-A238 PolarHBondContact O-N 3.43Å
235A88.4Confident81.8Confident12 Ų1255.8 Ų55.810%0.09933%0.331CS..Hα-helixtrans-61-42.1175.300000111.7E231 W232 A238 A239 V240 L253E231-A235 WeakPolarHBondContact O-CB 3.44Å; E231-A235 PolarHBondContact O-N 3.3Å; W232-A235 PolarHBondContact O-N 3.18Å; A235-A238 PolarHBondContact O-N 2.84Å; A235-A239 PolarHBondContact O-N 3.42Å; A235-V240 HydrophobicContact CB-CB 4.29Å; A235-V240 PolarHBondContact O-N 3.38Å; A235-L253 HydrophobicContact CB-CD2 4.13Å
236V88.2Confident80.3Confident13 Ų1356 Ų568%0.07934%0.338CS..Hα-helixtrans-64.3-45.8175.9174.50000111.2L45 R211 L213 L216 W232 I233 G234 A238 A239L45-V236 HydrophobicContact CD1-CG1 3.93Å; L45-V236 HydrophobicContact CD2-CB 4.5Å; L45-V236 HydrophobicContact CD2-CG1 3.85Å; R211-V236 PolarHBondContact NH2-O 3.25Å; L213-V236 HydrophobicContact CD1-CG1 3.6Å; L216-V236 HydrophobicContact CD1-CG1 4.18Å; L216-V236 HydrophobicContact CD1-CG2 3.62Å; W232-V236 HydrophobicContact CD2-CG2 4.26Å; W232-V236 HydrophobicContact CZ2-CG2 4.1Å; W232-V236 VanDerWaalsContact O-CG2 3.28Å; W232-V236 WeakPolarHBondContact O-CG2 3.37Å; W232-V236 PolarHBondContact O-N 2.83Å; I233-V236 PolarHBondContact O-N 2.86Å; G234-V236 VanDerWaalsContact C-N 3.33Å; G234-V236 PolarHBondContact O-N 2.81Å; V236-A238 VanDerWaalsContact C-N 3.31Å; V236-A238 PolarHBondContact O-N 3.45Å; V236-A239 PolarHBondContact O-N 3.25Å; V236-A239 VanDerWaalsContact O-N 3.13Å
237D87.2Confident78.9Confident33 Ų3359.9 Ų59.918%0.17637%0.366CS..Hα-helixtrans-61.8-39.1177.2-170.563.3000111.6K41 S43 R211 I233 G234 A239K41-D237 IonicContact NZ-OD1 3.41Å; K41-D237 PolarHBondContact NZ-OD1 3.27Å; K41-D237 IonicContact NZ-OD2 2.78Å; K41-D237 PolarHBondContact NZ-OD2 3.47Å; S43-D237 VanDerWaalsContact CB-OD1 3.27Å; S43-D237 WeakPolarHBondContact CB-OD1 3.32Å; S43-D237 PolarHBondContact OG-OD1 3.05Å; R211-D237 PolarHBondContact NH1-O 3.11Å; R211-D237 PolarHBondContact NH2-O 3.15Å; I233-D237 PolarHBondContact O-N 3.07Å; G234-D237 PolarHBondContact O-N 3.18Å; D237-A239 PolarHBondContact O-N 3.18Å
238A86.3Confident77.9Confident67 Ų6761.2 Ų61.255%0.55438%0.377SS*.THydrogen-bonded Turntrans-75.9-1.8176.600000114.8G234 A235 V236 V240G234-A238 VanDerWaalsContact O-CB 3.31Å; G234-A238 WeakPolarHBondContact O-CB 3.5Å; G234-A238 PolarHBondContact O-N 3.43Å; A235-A238 PolarHBondContact O-N 2.84Å; V236-A238 VanDerWaalsContact C-N 3.31Å; V236-A238 PolarHBondContact O-N 3.45Å; A238-V240 HydrophobicContact CB-CG2 3.91Å; A238-V240 PolarHBondContact O-N 3.22Å
239A82.5Confident77.1Confident60 Ų6066.3 Ų66.350%0.49640%0.397SS..THydrogen-bonded Turntrans54.136.8-173.200000113.8R211 A235 V236 D237 S241R211-A239 VanDerWaalsContact NH1-CB 3.3Å; A235-A239 PolarHBondContact O-N 3.42Å; V236-A239 PolarHBondContact O-N 3.25Å; V236-A239 VanDerWaalsContact O-N 3.13Å; D237-A239 PolarHBondContact O-N 3.18Å; A239-S241 PolarHBondContact O-N 3.09Å
240V80Confident76.2Confident71 Ų7173.5 Ų73.543%0.4343%0.434SS..  trans-75.5121.8172.5179.80000108.5A235 A238 L242 L253A235-V240 HydrophobicContact CB-CB 4.29Å; A235-V240 PolarHBondContact O-N 3.38Å; A238-V240 HydrophobicContact CB-CG2 3.91Å; A238-V240 PolarHBondContact O-N 3.22Å; V240-L242 PolarHBondContact O-N 2.8Å; V240-L253 HydrophobicContact CG1-CD2 3.73Å
241S68Low75.3Confident76 Ų7673.9 Ų73.953%0.53144%0.44SS..  trans-72.8126.9170.9-172.80000109.5A239 E243A239-S241 PolarHBondContact O-N 3.09Å; S241-E243 WeakPolarHBondContact OG-CB 3.46Å; S241-E243 PolarHBondContact OG-N 2.91Å
242L65.8Low74.7Confident44 Ų4474.7 Ų74.723%0.2345%0.453CS..  trans-85.11.7172-68.7162.9000111.9V240 N244 L253 C255V240-L242 PolarHBondContact O-N 2.8Å; L242-N244 PolarHBondContact O-N 2.95Å; L242-N244 VanDerWaalsContact O-N 3.15Å; L242-L253 HydrophobicContact CD2-CB 4.39Å; L242-L253 HydrophobicContact CD2-CD2 3.49Å; L242-L253 VanDerWaalsContact CD2-CD2 3.49Å; L242-L253 HydrophobicContact CD2-CG 3.57Å; L242-C255 HydrophobicContact CD1-CB 4.24Å
243E63.4Low73.9Confident131 Ų13176.3 Ų76.361%0.61246%0.462SS*.  trans-71.8107.5174.8-66.1-172.217000109.6S241 S245S241-E243 WeakPolarHBondContact OG-CB 3.46Å; S241-E243 PolarHBondContact OG-N 2.91Å; E243-S245 PolarHBondContact O-N 2.96Å
244N60.9Low72.7Confident88 Ų8880.8 Ų80.847%0.47149%0.49SS..  trans-76.150171.5-79.8-14000111.8L242 S246 S251L242-N244 PolarHBondContact O-N 2.95Å; L242-N244 VanDerWaalsContact O-N 3.15Å; N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 2.87Å; N244-S246 VanDerWaalsContact O-N 3.11Å; N244-S251 PolarHBondContact ND2-O 2.9Å; N244-S251 WeakPolarHBondContact OD1-CB 3.24Å; N244-S251 PolarHBondContact OD1-O 2.82Å
245S61.1Low71.3Confident97 Ų9780.9 Ų80.968%0.67848%0.484SS*.  trans-81.178.5171.150.40000109.2E243E243-S245 PolarHBondContact O-N 2.96Å
246S56.5Low70.3Confident78 Ų7882.3 Ų82.355%0.54549%0.49SS..  trans-77.1129.7-178.764.40000112.6N244N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 2.87Å; N244-S246 VanDerWaalsContact O-N 3.11Å
247S58.3Low69.2Low105 Ų10590.3 Ų90.373%0.73453%0.527SS*.SBendtrans-113-34.3146.759.50000113.1
248D66Low68.2Low146 Ų14692.9 Ų92.978%0.78155%0.545SS*.SBendtrans-129.1-14.2-168.3-59.1-62.2000116.7
249F70.8Confident67.5Low167 Ų16795 Ų9573%0.73254%0.543SS*.  trans-149.8153.6173.459.8-87.4000111.6
250L69.1Low67.2Low151 Ų15193.9 Ų93.979%0.79153%0.534SS*.  trans-98.5113.7178.2-68.1171.1000109.6
251S71.9Confident67.1Low42 Ų4295.1 Ų95.129%0.29454%0.542SS..  trans-82.9125164.9172.30000109.3N244 L253N244-S251 PolarHBondContact ND2-O 2.9Å; N244-S251 WeakPolarHBondContact OD1-CB 3.24Å; N244-S251 PolarHBondContact OD1-O 2.82Å; S251-L253 VanDerWaalsContact C-N 3.35Å; S251-L253 PolarHBondContact OG-N 3.09Å
252T75.7Confident67.6Low132 Ų13291.7 Ų91.781%0.8152%0.517SS*.  trans-90.9-1.9172.857.20000112.5T254T252-T254 PolarHBondContact O-N 3.35Å; T252-T254 VanDerWaalsContact O-N 3.12Å
253L70.8Confident68.1Low44 Ų4493.5 Ų93.523%0.2353%0.534CS..  trans-72105.4176.8-172.172.8000108.4E231 A235 V240 L242 S251E231-L253 HydrophobicContact CG-CD1 4.43Å; A235-L253 HydrophobicContact CB-CD2 4.13Å; V240-L253 HydrophobicContact CG1-CD2 3.73Å; L242-L253 HydrophobicContact CD2-CB 4.39Å; L242-L253 HydrophobicContact CD2-CD2 3.49Å; L242-L253 VanDerWaalsContact CD2-CD2 3.49Å; L242-L253 HydrophobicContact CD2-CG 3.57Å; S251-L253 VanDerWaalsContact C-N 3.35Å; S251-L253 PolarHBondContact OG-N 3.09Å
254T65.1Low69.1Low103 Ų10393.6 Ų93.663%0.63253%0.529SS*.PPolyproline II helixtrans-99.2140.1178.850.70000110.4T252 L256T252-T254 PolarHBondContact O-N 3.35Å; T252-T254 VanDerWaalsContact O-N 3.12Å; T254-L256 PolarHBondContact O-N 3.42Å
255C61.6Low70.3Confident39 Ų3989.6 Ų89.626%0.26451%0.508SS..PPolyproline II helixtrans-62.7133.9166.5-171.30000109.2V217 L242V217-C255 HydrophobicContact CG1-CB 4.46Å; V217-C255 WeakPolarHBondContact CG1-SG 3.38Å; L242-C255 HydrophobicContact CD1-CB 4.24Å
256L66.6Low71.6Confident41 Ų4185.7 Ų85.722%0.21548%0.479CS..PPolyproline II helixtrans-55.1154.6168.7-60.5158.5000109.9P219 D228 W232 T254 P258P219-L256 HydrophobicContact CB-CB 4.06Å; P219-L256 HydrophobicContact CB-CD1 4Å; P219-L256 HydrophobicContact CG-CD1 4.36Å; D228-L256 HydrophobicContact CB-CD1 3.61Å; D228-L256 HydrophobicContact CB-CD2 3.45Å; D228-L256 VanDerWaalsContact CB-CD2 3.45Å; D228-L256 HydrophobicContact CB-CG 4.12Å; D228-L256 VanDerWaalsContact CG-CD2 3.41Å; D228-L256 WeakPolarHBondContact O-CD1 3.46Å; D228-L256 WeakPolarHBondContact OD2-CD2 3.38Å; W232-L256 HydrophobicContact CB-CD1 4.15Å; T254-L256 PolarHBondContact O-N 3.42Å; L256-P258 WeakPolarHBondContact O-CA 3.34Å; L256-P258 WeakPolarHBondContact O-CD 3.19Å
257E66Low73.2Confident182 Ų18282.4 Ų82.485%0.8546%0.456SS*.SBendtrans-40.4103.4-179.2-68.7-171.2163.700110.7E259E257-E259 PolarHBondContact O-N 3.27Å
258P67.1Low74.8Confident86 Ų8677.5 Ų77.556%0.55842%0.421SS*.EExtended strand (participates in β ladder)trans-74.9123.3-163.127.1-34.1000109.2V217 L256V217-P258 HydrophobicContact CG1-CB 3.42Å; V217-P258 VanDerWaalsContact CG1-CB 3.42Å; L256-P258 WeakPolarHBondContact O-CA 3.34Å; L256-P258 WeakPolarHBondContact O-CD 3.19Å
259E70.4Confident76.2Confident113 Ų11371 Ų7153%0.52839%0.388SS..EExtended strand (participates in β ladder)trans-83.7-41179.1-169.4-173.5-147.400110.6R218 A220 E257R218-E259 IonicContact CZ-OE2 3.76Å; R218-E259 IonicContact NE-OE2 2.69Å; R218-E259 IonicContact NH2-OE2 3.49Å; R218-E259 PolarHBondContact NH2-OE2 3.07Å; R218-E259 PolarHBondContact O-N 3.27Å; A220-E259 VanDerWaalsContact CA-OE2 3.31Å; A220-E259 WeakPolarHBondContact CA-OE2 3.25Å; A220-E259 HydrophobicContact CB-CB 4.06Å; A220-E259 HydrophobicContact CB-CG 4.25Å; E257-E259 PolarHBondContact O-N 3.27Å
260A75.8Confident77.5Confident36 Ų3663.1 Ų63.130%0.29835%0.353SS..EExtended strand (participates in β ladder)trans-153.7157.9-177.600000111.8R218R218-A260 WeakPolarHBondContact CB-O 3.3Å; R218-A260 PolarHBondContact N-O 2.91Å; R218-A260 PolarHBondContact O-N 2.58Å
261T78.5Confident78.7Confident96 Ų9657.4 Ų57.459%0.58933%0.325SS*.EExtended strand (participates in β ladder)trans-108121.2168.5-56.50000109.1R215R215-T261 HydrophobicContact CB-CG2 4.49Å
262V78Confident79.9Confident4 Ų455.9 Ų55.92%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-89.2122.3175.3177.70000108.4P47 E48 R215 L216 R218 R264 A265P47-V262 HydrophobicContact CB-CG1 4.02Å; P47-V262 HydrophobicContact CB-CG2 4.4Å; E48-V262 HydrophobicContact CG-CG1 3.84Å; R215-V262 CarbonylContact C-O 3.54Å; R215-V262 VanDerWaalsContact CA-O 3.31Å; R215-V262 WeakPolarHBondContact CA-O 3.2Å; R215-V262 PolarHBondContact N-O 3.46Å; L216-V262 HydrophobicContact CB-CB 4.28Å; L216-V262 PolarHBondContact N-O 2.84Å; L216-V262 PolarHBondContact O-N 2.89Å; R218-V262 HydrophobicContact CB-CG2 4.24Å; V262-R264 WeakPolarHBondContact CG1-O 3.31Å; V262-R264 PolarHBondContact O-N 2.94Å; V262-A265 HydrophobicContact CG1-CB 4.41Å
263S77.1Confident80.8Confident82 Ų8249.6 Ų49.657%0.57328%0.278SS*.EExtended strand (participates in β ladder)trans-64.2-42.3-174.560.60000112.5R215R215-S263 PolarHBondContact N-O 3.45Å
264R83.1Confident82Confident133 Ų13347.6 Ų47.650%0.50227%0.267SS..EExtended strand (participates in β ladder)trans-138.2133.8179.7-66.6179.5175.8151.4-0.6110E48 Y49 D50 L213 V262E48-R264 WeakPolarHBondContact CA-O 3.38Å; E48-R264 PolarHBondContact N-O 3.42Å; Y49-R264 PolarHBondContact N-O 3.13Å; D50-R264 IonicContact OD1-CZ 3.79Å; D50-R264 IonicContact OD1-NH1 2.67Å; D50-R264 PolarHBondContact OD1-NH1 2.77Å; L213-R264 CarbonylContact O-C 3.53Å; L213-R264 WeakPolarHBondContact O-CA 3.27Å; V262-R264 WeakPolarHBondContact CG1-O 3.31Å; V262-R264 PolarHBondContact O-N 2.94Å
265A86.9Confident83.4Confident4 Ų442.7 Ų42.73%0.03324%0.237CC..EExtended strand (participates in β ladder)trans-135.4161.7170.800000109.4L46 L213 L216 V262L46-A265 CarbonylContact O-C 3.53Å; L46-A265 VanDerWaalsContact O-CA 3.31Å; L46-A265 WeakPolarHBondContact O-CA 3.46Å; L46-A265 WeakPolarHBondContact O-CB 3.13Å; L213-A265 HydrophobicContact CB-CB 4.12Å; L213-A265 HydrophobicContact CD1-CB 4.48Å; L213-A265 PolarHBondContact N-O 3.46Å; L213-A265 PolarHBondContact O-N 3.36Å; L216-A265 HydrophobicContact CB-CB 4.27Å; L216-A265 HydrophobicContact CD2-CB 3.69Å; V262-A265 HydrophobicContact CG1-CB 4.41Å
266M87.9Confident84.8Confident16 Ų1641 Ų418%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-121.3135.2176171.2-166.1-78.700109.5L45 L46 Y49 A52 P53 M268L45-M266 WeakPolarHBondContact CA-O 3.17Å; L46-M266 PolarHBondContact N-O 2.65Å; L46-M266 PolarHBondContact O-N 3.11Å; Y49-M266 HydrophobicContact CD1-CE 3.81Å; Y49-M266 HydrophobicContact CE1-CE 4.15Å; A52-M266 HydrophobicContact CB-CE 3.42Å; A52-M266 VanDerWaalsContact CB-CE 3.42Å; P53-M266 HydrophobicContact CG-SD 4.48Å; M266-M268 HydrophobicContact CE-SD 4.4Å; M266-M268 HydrophobicContact CG-CG 3.81Å; M266-M268 HydrophobicContact CG-SD 4.5Å; M266-M268 HydrophobicContact SD-CG 3.44Å; M266-M268 WeakPolarHBondContact SD-CG 3.47Å; M266-M268 HydrophobicContact SD-SD 3.37Å
267S90.6Very high86.1Confident8 Ų840.6 Ų40.66%0.05622%0.223CC..EExtended strand (participates in β ladder)trans-112.1127.8162.8176.40000109.3V44 R210 R211V44-S267 CarbonylContact O-C 3.46Å; V44-S267 VanDerWaalsContact O-CA 3.31Å; V44-S267 WeakPolarHBondContact O-CA 3.46Å; R210-S267 CarbonylContact C-O 3.57Å; R211-S267 PolarHBondContact N-O 2.84Å; R211-S267 PolarHBondContact O-N 3.48Å
268M92.7Very high87.4Confident2 Ų233 Ų331%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-120.7145.1170.7-65.7-177.572.300108.9S43 V44 L56 E57 L60 S209 R210 M266S43-M268 CarbonylContact C-O 3.54Å; S43-M268 WeakPolarHBondContact CA-O 3.44Å; V44-M268 PolarHBondContact N-O 3.34Å; V44-M268 PolarHBondContact O-N 3.14Å; L56-M268 HydrophobicContact CB-SD 4.2Å; L56-M268 HydrophobicContact CD2-SD 3.6Å; L56-M268 VanDerWaalsContact CD2-SD 3.6Å; L56-M268 HydrophobicContact CG-SD 3.84Å; E57-M268 VanDerWaalsContact CA-CE 3.46Å; E57-M268 HydrophobicContact CB-CE 3.62Å; E57-M268 HydrophobicContact CG-CE 3.97Å; L60-M268 HydrophobicContact CD1-CB 3.87Å; L60-M268 HydrophobicContact CD1-CE 3.79Å; S209-M268 CarbonylContact O-C 3.58Å; S209-M268 WeakPolarHBondContact O-CA 3.49Å; R210-M268 HydrophobicContact CB-CG 4.32Å; M266-M268 HydrophobicContact CE-SD 4.4Å; M266-M268 HydrophobicContact CG-CG 3.81Å; M266-M268 HydrophobicContact CG-SD 4.5Å; M266-M268 HydrophobicContact SD-CG 3.44Å; M266-M268 WeakPolarHBondContact SD-CG 3.47Å; M266-M268 HydrophobicContact SD-SD 3.37Å
269S94.9Very high88.8Confident11 Ų1128.9 Ų28.98%0.07716%0.162CC..EExtended strand (participates in β ladder)trans-140.4153.1172.5670000111.9V42 V208 S209V42-S269 CarbonylContact O-C 3.59Å; V42-S269 WeakPolarHBondContact O-CA 3.24Å; V42-S269 WeakPolarHBondContact O-CB 3.45Å; V208-S269 CarbonylContact C-O 3.58Å; V208-S269 VanDerWaalsContact CA-O 3.31Å; V208-S269 WeakPolarHBondContact CA-O 3.36Å; S209-S269 PolarHBondContact N-O 3.48Å; S209-S269 PolarHBondContact O-N 2.69Å; S209-S269 PolarHBondContact OG-OG 3.46Å
270A96.9Very high89.9Confident0 Ų025.1 Ų25.10%014%0.144CC..EExtended strand (participates in β ladder)trans-126.7132.3170.200000109.2K41 V42 L60 F63 P206 E207 V208K41-A270 WeakPolarHBondContact CA-O 3.42Å; V42-A270 HydrophobicContact CG1-CB 3.91Å; V42-A270 PolarHBondContact N-O 2.85Å; V42-A270 PolarHBondContact O-N 2.77Å; L60-A270 HydrophobicContact CD2-CB 4.22Å; F63-A270 HydrophobicContact CD2-CB 4.38Å; F63-A270 HydrophobicContact CE2-CB 4.4Å; P206-A270 HydrophobicContact CB-CB 4.21Å; E207-A270 CarbonylContact O-C 3.58Å; E207-A270 VanDerWaalsContact O-CA 3.3Å; E207-A270 WeakPolarHBondContact O-CA 3.48Å; V208-A270 HydrophobicContact CG2-CB 4.26Å
271C96.2Very high90.8Very high31 Ų3127.4 Ų27.421%0.20915%0.148CC..EExtended strand (participates in β ladder)trans-122.2129.9-177.1-65.40000111.1Y40 P206 E207Y40-C271 CarbonylContact O-C 3.59Å; Y40-C271 WeakPolarHBondContact O-CA 3.3Å; P206-C271 CarbonylContact C-O 3.58Å; P206-C271 VanDerWaalsContact CA-O 3.3Å; P206-C271 WeakPolarHBondContact CA-O 3.36Å; E207-C271 PolarHBondContact N-O 3.27Å; E207-C271 PolarHBondContact O-N 2.78Å
272G95.4Very high91.6Very high10 Ų1022.9 Ų22.910%0.10312%0.12CC..EExtended strand (participates in β ladder)trans165-152.5-178.400000112.5Y40 F306Y40-G272 CarbonylContact C-O 3.53Å; Y40-G272 VanDerWaalsContact CA-O 3.28Å; Y40-G272 WeakPolarHBondContact CA-O 3.37Å; Y40-G272 PolarHBondContact O-N 2.8Å; G272-F306 WeakPolarHBondContact O-CZ 3.32Å
273L95.3Very high92.4Very high1 Ų123.1 Ų23.11%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-94.3101.7162.7177.763.7000107.8F38 F66 L181 F306F38-L273 HydrophobicContact CD1-CD1 4.34Å; F66-L273 HydrophobicContact CB-CB 3.93Å; F66-L273 HydrophobicContact CB-CD2 4.16Å; F66-L273 HydrophobicContact CB-CG 4.48Å; F66-L273 HydrophobicContact CD1-CB 4.1Å; F66-L273 HydrophobicContact CD2-CB 4.07Å; F66-L273 HydrophobicContact CG-CB 3.78Å; L181-L273 HydrophobicContact CB-CD2 4.21Å; L273-F306 HydrophobicContact CB-CZ 4.47Å; L273-F306 HydrophobicContact CD1-CE2 3.76Å; L273-F306 HydrophobicContact CD1-CZ 4.15Å
274L95.7Very high93.2Very high1 Ų123.7 Ų23.71%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-96.7129.8-175.2-42.5178.1000110.1N39 V42 F63 P206 L279N39-L274 HydrophobicContact CB-CB 3.97Å; N39-L274 WeakPolarHBondContact CB-O 3.4Å; N39-L274 PolarHBondContact ND2-O 2.86Å; N39-L274 PolarHBondContact O-N 3.45Å; V42-L274 HydrophobicContact CB-CD1 4Å; V42-L274 HydrophobicContact CG1-CD1 3.75Å; F63-L274 HydrophobicContact CD2-CD2 4.1Å; P206-L274 HydrophobicContact CB-CD2 3.76Å; P206-L274 HydrophobicContact CG-CD2 3.69Å; L274-L279 HydrophobicContact CD1-CD2 4.43Å
275L93.9Very high93.6Very high0 Ų020 Ų200%010%0.104CC..  trans-82.5141.9179.4-58.4-170000110.6Y93 H185 Q277 D278 L279Y93-L275 HydrophobicContact CD1-CD2 4.1Å; Y93-L275 HydrophobicContact CD2-CD2 3.47Å; Y93-L275 VanDerWaalsContact CD2-CD2 3.47Å; Y93-L275 HydrophobicContact CE1-CD2 4.43Å; Y93-L275 HydrophobicContact CE2-CD2 3.86Å; Y93-L275 HydrophobicContact CG-CD2 3.62Å; H185-L275 HydrophobicContact CB-CD1 4.05Å; L275-Q277 PolarHBondContact O-N 2.89Å; L275-Q277 VanDerWaalsContact O-N 3.15Å; L275-D278 PolarHBondContact O-N 2.87Å; L275-D278 VanDerWaalsContact O-N 3.07Å; L275-L279 PolarHBondContact O-N 2.89Å
276P92.3Very high93.8Very high5 Ų520 Ų203%0.03210%0.103CC..Hα-helixtrans-53.6-33.6174.2-26.634.3000113.3E34 Y93 L279 Q280E34-P276 HydrophobicContact CG-CB 4.32Å; Y93-P276 HydrophobicContact CE1-CG 3.83Å; P276-L279 PolarHBondContact O-N 3.02Å; P276-Q280 WeakPolarHBondContact O-CG 3.48Å; P276-Q280 PolarHBondContact O-N 2.74Å
277Q92.6Very high94Very high31 Ų3123 Ų2315%0.14511%0.114CC..Hα-helixtrans-65.3-40178.7-66.674.639.700112.2Y93 L275 L279 Q280 H281Y93-Q277 PolarHBondContact OH-NE2 3.23Å; Y93-Q277 PolarHBondContact OH-OE1 2.72Å; L275-Q277 PolarHBondContact O-N 2.89Å; L275-Q277 VanDerWaalsContact O-N 3.15Å; Q277-L279 VanDerWaalsContact C-N 3.3Å; Q277-L279 PolarHBondContact O-N 3Å; Q277-Q280 PolarHBondContact O-N 2.85Å; Q277-H281 PolarHBondContact O-N 3.37Å
278D94.9Very high93.9Very high22 Ų2224.7 Ų24.712%0.11813%0.125CC..Hα-helixtrans-65.8-37.4176.1-63-29.6000110.8F63 S64 L275 L282F63-D278 HydrophobicContact CB-CB 4.45Å; F63-D278 HydrophobicContact CD1-CB 3.75Å; F63-D278 HydrophobicContact CD2-CB 4.29Å; F63-D278 HydrophobicContact CE1-CB 3.9Å; F63-D278 WeakPolarHBondContact CE1-O 3.45Å; F63-D278 HydrophobicContact CE2-CB 4.42Å; F63-D278 HydrophobicContact CG-CB 3.93Å; F63-D278 HydrophobicContact CZ-CB 4.22Å; S64-D278 WeakPolarHBondContact CB-OD2 3.1Å; S64-D278 PolarHBondContact N-OD2 3.23Å; S64-D278 PolarHBondContact OG-OD1 2.84Å; S64-D278 PolarHBondContact OG-OD2 3.35Å; S64-D278 VanDerWaalsContact OG-OD2 3.08Å; L275-D278 PolarHBondContact O-N 2.87Å; L275-D278 VanDerWaalsContact O-N 3.07Å; D278-L282 WeakPolarHBondContact O-CB 3.31Å; D278-L282 PolarHBondContact O-N 3.48Å
279L95.4Very high93.6Very high1 Ų128.2 Ų28.21%0.00514%0.139CC..Hα-helixtrans-70.2-38.2177.7-63173.6000112.4M33 N39 V42 F63 L274 L275 P276 Q277 L282 V283 V303M33-L279 HydrophobicContact CE-CB 4.25Å; N39-L279 HydrophobicContact CB-CD1 3.82Å; V42-L279 HydrophobicContact CB-CD2 3.81Å; V42-L279 HydrophobicContact CG1-CD2 4.05Å; V42-L279 HydrophobicContact CG2-CD2 4Å; F63-L279 HydrophobicContact CE2-CD2 4.25Å; F63-L279 HydrophobicContact CZ-CD2 4.36Å; L274-L279 HydrophobicContact CD1-CD2 4.43Å; L275-L279 PolarHBondContact O-N 2.89Å; P276-L279 PolarHBondContact O-N 3.02Å; Q277-L279 VanDerWaalsContact C-N 3.3Å; Q277-L279 PolarHBondContact O-N 3Å; L279-L282 WeakPolarHBondContact O-CB 3.45Å; L279-L282 PolarHBondContact O-N 3.45Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 2.85Å; L279-V303 HydrophobicContact CD1-CG1 3.93Å; L279-V303 HydrophobicContact CD1-CG2 4.25Å; L279-V303 HydrophobicContact CD2-CG2 4.19Å
280Q94.1Very high93.3Very high34 Ų3427.9 Ų27.916%0.15914%0.136CC..Hα-helixtrans-62.4-47.2173.4-75.8173.7-14.100111S30 E34 P276 Q277 L282 V283 E284S30-Q280 PolarHBondContact O-NE2 2.92Å; E34-Q280 VanDerWaalsContact CG-NE2 3.3Å; E34-Q280 PolarHBondContact OE1-NE2 3.42Å; P276-Q280 WeakPolarHBondContact O-CG 3.48Å; P276-Q280 PolarHBondContact O-N 2.74Å; Q277-Q280 PolarHBondContact O-N 2.85Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 2.89Å; Q280-V283 PolarHBondContact O-N 2.8Å; Q280-V283 VanDerWaalsContact O-N 3.14Å; Q280-E284 WeakPolarHBondContact O-CG 3.31Å; Q280-E284 PolarHBondContact O-N 2.76Å
281H94.3Very high92.7Very high84 Ų8433 Ų3339%0.38916%0.16SC..Hα-helixtrans-59.3-43175.6-177.3-92.6000111.8Q277 V283 E284 E285Q277-H281 PolarHBondContact O-N 3.37Å; H281-V283 PolarHBondContact O-N 3.41Å; H281-E284 PolarHBondContact O-N 3.39Å; H281-E285 WeakPolarHBondContact O-CG 3.38Å; H281-E285 PolarHBondContact O-N 3.27Å
282L95.5Very high92Very high0 Ų039.3 Ų39.30%019%0.186CC..Hα-helixtrans-57.4-45.6173.6172.966.6000112.3V42 V44 L56 I59 L60 F63 D278 L279 Q280 E285 L286V42-L282 HydrophobicContact CG1-CD2 4.48Å; V42-L282 HydrophobicContact CG2-CD2 3.87Å; V44-L282 HydrophobicContact CG2-CD1 4.47Å; V44-L282 HydrophobicContact CG2-CD2 3.92Å; L56-L282 HydrophobicContact CD1-CD1 3.48Å; L56-L282 VanDerWaalsContact CD1-CD1 3.48Å; I59-L282 HydrophobicContact CG2-CB 4.37Å; I59-L282 HydrophobicContact CG2-CD1 3.98Å; L60-L282 HydrophobicContact CD2-CD1 4.16Å; L60-L282 HydrophobicContact CD2-CD2 4.04Å; F63-L282 HydrophobicContact CE1-CB 4.24Å; F63-L282 HydrophobicContact CZ-CB 4.06Å; F63-L282 HydrophobicContact CZ-CD2 3.99Å; D278-L282 WeakPolarHBondContact O-CB 3.31Å; D278-L282 PolarHBondContact O-N 3.48Å; L279-L282 WeakPolarHBondContact O-CB 3.45Å; L279-L282 PolarHBondContact O-N 3.45Å; Q280-L282 VanDerWaalsContact C-N 3.32Å; Q280-L282 PolarHBondContact O-N 2.89Å; L282-E285 PolarHBondContact O-N 2.71Å; L282-L286 HydrophobicContact CD1-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CG 4.24Å; L282-L286 HydrophobicContact CG-CD1 4.02Å; L282-L286 WeakPolarHBondContact O-CB 3.21Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 2.99Å
283V94.8Very high91.1Very high9 Ų940.1 Ų40.16%0.05519%0.193CC..Hα-helixtrans-64.9-40.8179.2165.50000111.5F22 M33 L279 Q280 H281 L286 R287 L330 M332F22-V283 HydrophobicContact CE1-CG1 4.24Å; F22-V283 HydrophobicContact CZ-CG1 4.35Å; M33-V283 HydrophobicContact CE-CB 4.39Å; M33-V283 HydrophobicContact CE-CG2 3.65Å; M33-V283 HydrophobicContact SD-CG2 4.26Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 2.85Å; Q280-V283 PolarHBondContact O-N 2.8Å; Q280-V283 VanDerWaalsContact O-N 3.14Å; H281-V283 PolarHBondContact O-N 3.41Å; V283-L286 PolarHBondContact O-N 3.43Å; V283-R287 WeakPolarHBondContact O-CB 3.31Å; V283-R287 PolarHBondContact O-N 3.06Å; V283-L330 HydrophobicContact CB-CD2 4.48Å; V283-L330 HydrophobicContact CG1-CD2 3.72Å; V283-L330 HydrophobicContact CG2-CD2 3.85Å; V283-M332 HydrophobicContact CG1-SD 3.92Å
284E93.2Very high89.8Confident95 Ų9547.4 Ų47.444%0.44423%0.227SC..Hα-helixtrans-62.1-45.4176.3-74.2172.5-170.500112Q280 H281 R287 C288Q280-E284 WeakPolarHBondContact O-CG 3.31Å; Q280-E284 PolarHBondContact O-N 2.76Å; H281-E284 PolarHBondContact O-N 3.39Å; E284-R287 WeakPolarHBondContact O-CB 3.23Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-C288 PolarHBondContact O-N 2.97Å; E284-C288 PolarHBondContact O-SG 3.48Å; E284-C288 VanDerWaalsContact O-SG 3.37Å
285E92.3Very high88.1Confident54 Ų5453.5 Ų53.525%0.25226%0.264SS..Hα-helixtrans-64.6-42177.3-72.6-62.614100112.4H55 I59 H281 L282 R287 C288 Y289H55-E285 IonicContact CD2-OE2 3.71Å; H55-E285 IonicContact CE1-OE2 3.64Å; H55-E285 IonicContact NE2-OE2 2.72Å; H55-E285 PolarHBondContact NE2-OE2 3.14Å; I59-E285 HydrophobicContact CD1-CB 3.5Å; I59-E285 HydrophobicContact CD1-CG 3.62Å; I59-E285 HydrophobicContact CG1-CG 4.35Å; H281-E285 WeakPolarHBondContact O-CG 3.38Å; H281-E285 PolarHBondContact O-N 3.27Å; L282-E285 PolarHBondContact O-N 2.71Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.08Å; E285-C288 PolarHBondContact O-N 3.03Å; E285-Y289 WeakPolarHBondContact O-CB 3.4Å; E285-Y289 PolarHBondContact O-N 2.82Å
286L91.9Very high86.9Confident4 Ų459.1 Ų59.12%0.02129%0.294CS..Hα-helixtrans-63.5-36.5174.3-74.3171.4000112V44 L46 L56 L282 V283 Y289 L290 V301 M332V44-L286 HydrophobicContact CG1-CD1 3.91Å; V44-L286 HydrophobicContact CG1-CD2 4.13Å; V44-L286 HydrophobicContact CG2-CD1 4.35Å; L46-L286 HydrophobicContact CD1-CD2 4.4Å; L46-L286 HydrophobicContact CD2-CD2 4.23Å; L56-L286 HydrophobicContact CD1-CD2 3.88Å; L56-L286 HydrophobicContact CD1-CG 4.32Å; L56-L286 HydrophobicContact CD2-CD2 4.3Å; L282-L286 HydrophobicContact CD1-CD1 4.03Å; L282-L286 HydrophobicContact CD1-CG 4.24Å; L282-L286 HydrophobicContact CG-CD1 4.02Å; L282-L286 WeakPolarHBondContact O-CB 3.21Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.46Å; L282-L286 PolarHBondContact O-N 2.99Å; V283-L286 PolarHBondContact O-N 3.43Å; L286-Y289 PolarHBondContact O-N 2.93Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.42Å; L286-V301 HydrophobicContact CD1-CG2 3.37Å; L286-M332 HydrophobicContact CB-CE 3.54Å; L286-M332 HydrophobicContact CD1-CE 3.83Å; L286-M332 HydrophobicContact CG-CE 4.33Å
287R91Very high86.5Confident79 Ų7959.6 Ų59.630%0.29830%0.298SS..Hα-helixtrans-63.9-46.8174.8-174-176.269160.3-1.4111.2F22 V283 E284 E285 Y289 L290 Q291F22-R287 HydrophobicContact CD2-CG 4.3Å; V283-R287 WeakPolarHBondContact O-CB 3.31Å; V283-R287 PolarHBondContact O-N 3.06Å; E284-R287 WeakPolarHBondContact O-CB 3.23Å; E284-R287 PolarHBondContact O-N 3.39Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.08Å; R287-Y289 VanDerWaalsContact C-N 3.28Å; R287-Y289 PolarHBondContact O-N 3.17Å; R287-L290 PolarHBondContact O-N 2.9Å; R287-Q291 WeakPolarHBondContact O-CG 3.44Å; R287-Q291 PolarHBondContact O-N 3.11Å
288C89.1Confident86.4Confident45 Ų4558.4 Ų58.430%0.30429%0.292SS..Hα-helixtrans-60.1-39.9175.7-69.20000111.7E284 E285 Q291E284-C288 PolarHBondContact O-N 2.97Å; E284-C288 PolarHBondContact O-SG 3.48Å; E284-C288 VanDerWaalsContact O-SG 3.37Å; E285-C288 PolarHBondContact O-N 3.03Å; C288-Q291 PolarHBondContact O-N 2.92Å
289Y86.9Confident86.4Confident76 Ų7657.3 Ų57.330%0.29829%0.286SS..Hα-helixtrans-62.5-48175.4171.2-99.7000112.3L46 Y49 E285 L286 R287 Q291 Q292 A293L46-Y289 HydrophobicContact CD2-CE1 4.42Å; Y49-Y289 HydrophobicContact CE2-CE2 4.46Å; Y49-Y289 WeakPolarHBondContact CE2-OH 3.31Å; E285-Y289 WeakPolarHBondContact O-CB 3.4Å; E285-Y289 PolarHBondContact O-N 2.82Å; L286-Y289 PolarHBondContact O-N 2.93Å; R287-Y289 VanDerWaalsContact C-N 3.28Å; R287-Y289 PolarHBondContact O-N 3.17Å; Y289-Q291 PolarHBondContact O-N 3.22Å; Y289-Q292 PolarHBondContact O-N 3.23Å; Y289-A293 PolarHBondContact O-N 2.59Å
290L88.2Confident86.3Confident3 Ų357.3 Ų57.32%0.01629%0.286CS..Hα-helixtrans-62.3-29-179.3-74.2174.6000113.4L286 R287 Q292 A293 A299 M332L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.42Å; R287-L290 PolarHBondContact O-N 2.9Å; L290-Q292 PolarHBondContact O-N 3.16Å; L290-A293 PolarHBondContact O-N 3.01Å; L290-A299 HydrophobicContact CD1-CB 3.9Å; L290-A299 HydrophobicContact CD2-CB 4.3Å; L290-A299 HydrophobicContact CG-CB 4.35Å; L290-M332 HydrophobicContact CD1-CB 3.61Å
291Q84Confident86.5Confident107 Ų10755.8 Ų55.850%0.528%0.279SS..Hα-helixtrans-66.2-26.6174.7-71178.4-50.200113.4R287 C288 Y289 H336R287-Q291 WeakPolarHBondContact O-CG 3.44Å; R287-Q291 PolarHBondContact O-N 3.11Å; C288-Q291 PolarHBondContact O-N 2.92Å; Y289-Q291 PolarHBondContact O-N 3.22Å; Q291-H336 PolarHBondContact NE2-CE1 3.24Å; Q291-H336 PolarHBondContact NE2-NE2 3.19Å; Q291-H336 VanDerWaalsContact NE2-NE2 3.14Å
292Q82.2Confident86.5Confident164 Ų16452.4 Ų52.477%0.76626%0.264SS*.Hα-helixtrans-93.5-11.5-177.9-60.6174.320.800112.3Y289 L290Y289-Q292 PolarHBondContact O-N 3.23Å; L290-Q292 PolarHBondContact O-N 3.16Å
293A76.3Confident86.5Confident28 Ų2852.4 Ų52.423%0.23126%0.264CS..SBendtrans-82.6164.6-174.200000112.6Y289 L290 S297Y289-A293 PolarHBondContact O-N 2.59Å; L290-A293 PolarHBondContact O-N 3.01Å; A293-S297 VanDerWaalsContact CB-OG 3.26Å; A293-S297 WeakPolarHBondContact CB-OG 3.49Å
294Q67.3Low86.4Confident154 Ų15454.2 Ų54.272%0.7227%0.272SS*.PPolyproline II helixtrans-68.5162.9179.3-68.9-177.56.100112.3D296 S297Q294-D296 PolarHBondContact O-N 3.2Å; Q294-S297 WeakPolarHBondContact O-CB 3.49Å; Q294-S297 PolarHBondContact O-N 2.98Å; Q294-S297 PolarHBondContact O-OG 3.46Å
295T60.4Low86.3Confident128 Ų12849.8 Ų49.879%0.78525%0.252SS*.THydrogen-bonded Turntrans-53130.5172.4-27.50000109.3
296D68.4Low86.1Confident118 Ų11848.8 Ų48.863%0.63125%0.247SC*.THydrogen-bonded Turntrans866.1-175.4-54.1-30.7000118.6Q294Q294-D296 PolarHBondContact O-N 3.2Å
297S84.4Confident85.7Confident16 Ų1650.9 Ų50.911%0.11226%0.26CS..  trans-67.5149.4170-580000112.3A293 Q294 P334A293-S297 VanDerWaalsContact CB-OG 3.26Å; A293-S297 WeakPolarHBondContact CB-OG 3.49Å; Q294-S297 WeakPolarHBondContact O-CB 3.49Å; Q294-S297 PolarHBondContact O-N 2.98Å; Q294-S297 PolarHBondContact O-OG 3.46Å; S297-P334 WeakPolarHBondContact O-CD 3.4Å; S297-P334 WeakPolarHBondContact O-CG 3.47Å
298W90.9Very high85.1Confident5 Ų549.8 Ų49.82%0.01926%0.26CS..  trans-153.3162.9174.256.8-87.5000109.8L45 P47 R218 L221 W232 L331 M332 F333L45-W298 HydrophobicContact CB-CZ3 4.48Å; L45-W298 HydrophobicContact CD2-CH2 3.61Å; L45-W298 HydrophobicContact CD2-CZ3 4Å; L45-W298 HydrophobicContact CG-CH2 3.77Å; L45-W298 HydrophobicContact CG-CZ3 4.03Å; P47-W298 HydrophobicContact CB-CZ2 4.06Å; P47-W298 WeakPolarHBondContact CD-O 3.49Å; P47-W298 HydrophobicContact CG-CD2 4.07Å; P47-W298 HydrophobicContact CG-CG 4.06Å; P47-W298 HydrophobicContact CG-CZ2 4.29Å; R218-W298 HydrophobicContact CG-CZ2 4.38Å; L221-W298 HydrophobicContact CD1-CB 4.24Å; L221-W298 HydrophobicContact CD1-CD2 3.39Å; L221-W298 VanDerWaalsContact CD1-CE2 3.47Å; L221-W298 HydrophobicContact CD1-CE3 4.03Å; L221-W298 HydrophobicContact CD1-CG 3.45Å; L221-W298 VanDerWaalsContact CD1-CG 3.45Å; L221-W298 HydrophobicContact CD1-CZ2 4.16Å; W232-W298 AromaticContact CH2-CH2 3.7Å; W232-W298 HydrophobicContact CH2-CH2 3.7Å; W232-W298 HydrophobicContact CH2-CZ2 4.07Å; W232-W298 HydrophobicContact CZ3-CH2 4.18Å; W298-L331 HydrophobicContact CD2-CD1 4.45Å; W298-L331 HydrophobicContact CE3-CD1 3.65Å; W298-L331 HydrophobicContact CZ3-CD1 4.23Å; W298-M332 WeakPolarHBondContact CA-O 3.46Å; W298-F333 HydrophobicContact CB-CD1 4.16Å; W298-F333 HydrophobicContact CB-CE1 4.32Å
299A92.9Very high84.6Confident0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-137.4137.6173.100000110.1L46 L290 L331 M332L46-A299 HydrophobicContact CD2-CB 3.46Å; L46-A299 VanDerWaalsContact CD2-CB 3.46Å; L290-A299 HydrophobicContact CD1-CB 3.9Å; L290-A299 HydrophobicContact CD2-CB 4.3Å; L290-A299 HydrophobicContact CG-CB 4.35Å; A299-L331 WeakPolarHBondContact O-CA 3.34Å; A299-M332 HydrophobicContact CB-CE 3.9Å; A299-M332 PolarHBondContact N-O 2.84Å; A299-M332 PolarHBondContact O-N 3.04Å
300S94.9Very high84Confident1 Ų144.5 Ų44.51%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-113.4126.6172.7167.90000109.5V44 L45 N329V44-S300 CarbonylContact C-O 3.53Å; V44-S300 VanDerWaalsContact CA-O 3.31Å; V44-S300 WeakPolarHBondContact CA-O 3.5Å; L45-S300 PolarHBondContact N-O 3.04Å; L45-S300 PolarHBondContact O-N 2.81Å; S300-N329 PolarHBondContact OG-ND2 2.99Å
301V96.6Very high83.3Confident2 Ų245 Ų451%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-115.8110.3174.8-177.10000108.3V42 S43 V44 L286 V303 N329 L330 M332V42-V301 HydrophobicContact CG2-CG1 3.71Å; S43-V301 CarbonylContact O-C 3.58Å; S43-V301 WeakPolarHBondContact O-CA 3.43Å; V44-V301 HydrophobicContact CG2-CG2 4.44Å; L286-V301 HydrophobicContact CD1-CG2 3.37Å; V301-V303 HydrophobicContact CG1-CG2 4.19Å; V301-N329 CarbonylContact O-C 3.52Å; V301-N329 WeakPolarHBondContact O-CA 3.47Å; V301-L330 HydrophobicContact CB-CB 4.46Å; V301-L330 PolarHBondContact N-O 3.48Å; V301-L330 PolarHBondContact O-N 3.37Å; V301-M332 HydrophobicContact CG2-CE 3.78Å
302T96Very high82.5Confident13 Ų1340.5 Ų40.58%0.0822%0.218CC..EExtended strand (participates in β ladder)trans-104.9127.4175.5-53.70000109.2V42 S43 I233 Y328 N329V42-T302 CarbonylContact C-O 3.46Å; V42-T302 VanDerWaalsContact CA-O 3.32Å; V42-T302 WeakPolarHBondContact CA-O 3.18Å; S43-T302 PolarHBondContact N-O 2.57Å; S43-T302 PolarHBondContact O-N 2.94Å; I233-T302 WeakPolarHBondContact CG2-OG1 3.47Å; T302-Y328 CarbonylContact C-O 3.41Å; T302-Y328 WeakPolarHBondContact CA-O 3.29Å; T302-N329 PolarHBondContact OG1-ND2 3.37Å
303V95.4Very high81.7Confident0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-120.5128.4177.21800000109.6L36 N39 K41 V42 L279 V301 L327 Y328L36-V303 HydrophobicContact CD2-CG1 4.24Å; N39-V303 HydrophobicContact CB-CG1 3.9Å; N39-V303 VanDerWaalsContact OD1-CG1 3.27Å; N39-V303 WeakPolarHBondContact OD1-CG1 3.37Å; K41-V303 CarbonylContact O-C 3.57Å; K41-V303 VanDerWaalsContact O-CA 3.32Å; K41-V303 WeakPolarHBondContact O-CA 3Å; V42-V303 HydrophobicContact CB-CG2 4.06Å; V42-V303 HydrophobicContact CG2-CG2 3.77Å; L279-V303 HydrophobicContact CD1-CG1 3.93Å; L279-V303 HydrophobicContact CD1-CG2 4.25Å; L279-V303 HydrophobicContact CD2-CG2 4.19Å; V301-V303 HydrophobicContact CG1-CG2 4.19Å; V303-L327 CarbonylContact O-C 3.58Å; V303-L327 WeakPolarHBondContact O-CA 3.5Å; V303-L327 WeakPolarHBondContact O-CB 3.37Å; V303-Y328 HydrophobicContact CB-CD1 3.94Å; V303-Y328 HydrophobicContact CB-CD2 4.29Å; V303-Y328 HydrophobicContact CB-CE1 3.48Å; V303-Y328 VanDerWaalsContact CB-CE1 3.48Å; V303-Y328 HydrophobicContact CB-CE2 3.82Å; V303-Y328 HydrophobicContact CB-CG 4.35Å; V303-Y328 VanDerWaalsContact CB-CZ 3.42Å; V303-Y328 HydrophobicContact CG1-CD1 4.4Å; V303-Y328 HydrophobicContact CG1-CE1 3.69Å; V303-Y328 HydrophobicContact CG2-CD2 4.45Å; V303-Y328 HydrophobicContact CG2-CE1 4.05Å; V303-Y328 HydrophobicContact CG2-CE2 3.64Å; V303-Y328 VanDerWaalsContact CG2-CZ 3.42Å; V303-Y328 WeakPolarHBondContact CG2-OH 3.13Å; V303-Y328 PolarHBondContact N-O 2.94Å; V303-Y328 PolarHBondContact O-N 3.38Å
304H92.7Very high81Confident46 Ų4632.5 Ų32.521%0.21318%0.181CC..EExtended strand (participates in β ladder)trans-106.3131.4175.8-59.3-91.9000109.7Y40 K41Y40-H304 PolarHBondContact N-O 2.7Å; K41-H304 HydrophobicContact CB-CB 4.31Å; K41-H304 PolarHBondContact N-O 2.85Å; K41-H304 PolarHBondContact O-N 3.26Å
305G90.9Very high80.4Confident3 Ų329.8 Ų29.83%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-78.8171.6169.900000113F38 D326F38-G305 WeakPolarHBondContact O-CA 3.42Å; G305-D326 PolarHBondContact N-O 3.3Å
306F88.4Confident80Confident33 Ų3325.1 Ų25.115%0.14515%0.148CC..  trans-68.9132.3173-76.7-97.2000111.8F38 N39 Y40 L95 L181 G272 L273 D308 S309F38-F306 HydrophobicContact CB-CD2 3.89Å; F38-F306 PolarHBondContact O-N 2.74Å; N39-F306 WeakPolarHBondContact O-CE2 3.45Å; Y40-F306 HydrophobicContact CD2-CD1 4.31Å; Y40-F306 AromaticContact CD2-CE1 3.78Å; Y40-F306 HydrophobicContact CD2-CE1 3.78Å; Y40-F306 AromaticContact CD2-CZ 3.9Å; Y40-F306 HydrophobicContact CD2-CZ 3.9Å; Y40-F306 HydrophobicContact CG-CE1 4.41Å; Y40-F306 HydrophobicContact CG-CZ 4.49Å; L95-F306 HydrophobicContact CD2-CB 3.73Å; L95-F306 HydrophobicContact CD2-CD1 3.8Å; L95-F306 HydrophobicContact CD2-CD2 3.94Å; L95-F306 HydrophobicContact CD2-CE1 4.38Å; L95-F306 HydrophobicContact CD2-CE2 4.49Å; L95-F306 HydrophobicContact CD2-CG 3.54Å; L181-F306 HydrophobicContact CD1-CE1 3.9Å; L181-F306 HydrophobicContact CD1-CZ 3.99Å; G272-F306 WeakPolarHBondContact O-CZ 3.32Å; L273-F306 HydrophobicContact CB-CZ 4.47Å; L273-F306 HydrophobicContact CD1-CE2 3.76Å; L273-F306 HydrophobicContact CD1-CZ 4.15Å; F306-D308 PolarHBondContact O-N 3.48Å; F306-S309 PolarHBondContact O-N 2.8Å
307T81.9Confident79Confident48 Ų4820.7 Ų20.729%0.29413%0.13SC..THydrogen-bonded Turntrans-61.7-34.2177.6-22.50000112.6R318 H325T307-R318 VanDerWaalsContact O-CZ 3.27Å; T307-R318 PolarHBondContact O-NH1 2.93Å; T307-R318 PolarHBondContact O-NH2 3.26Å; T307-H325 WeakPolarHBondContact CG2-CE1 3.32Å; T307-H325 PolarHBondContact OG1-CE1 3.37Å; T307-H325 VanDerWaalsContact OG1-CE1 3.23Å
308D78.5Confident77.4Confident55 Ų5520.4 Ų20.429%0.29413%0.127SC..THydrogen-bonded Turntrans-105.818-171.9-60.9-56.6000113.8T99 R100 I101 F306T99-D308 WeakPolarHBondContact O-CB 3.16Å; R100-D308 WeakPolarHBondContact CA-OD1 3.44Å; I101-D308 HydrophobicContact CB-CB 4.48Å; I101-D308 PolarHBondContact N-OD1 3.5Å; F306-D308 PolarHBondContact O-N 3.48Å
309S79.6Confident75.4Confident5 Ų522 Ų224%0.03514%0.135CC..  trans-67.6126.9174.4176.80000111.3F38 F306 V311 R318F38-S309 WeakPolarHBondContact CD2-OG 3.37Å; F306-S309 PolarHBondContact O-N 2.8Å; S309-V311 WeakPolarHBondContact CB-O 3.47Å; S309-V311 PolarHBondContact O-N 2.81Å; S309-V311 PolarHBondContact OG-N 3.01Å; S309-V311 PolarHBondContact OG-O 3.21Å; S309-R318 WeakPolarHBondContact O-CD 3.41Å; S309-R318 PolarHBondContact O-NH1 2.93Å
310P73.9Confident73.4Confident5 Ų522.6 Ų22.63%0.03214%0.139CC..SBendtrans-69.5-10.617429.7-33.4000112.6L95 I101 C106 A108 R318L95-P310 VanDerWaalsContact CD1-CD 3.46Å; L95-P310 HydrophobicContact CD1-CG 4.43Å; I101-P310 HydrophobicContact CD1-CB 3.8Å; C106-P310 HydrophobicContact CB-CB 4.43Å; C106-P310 HydrophobicContact CB-CG 4.42Å; A108-P310 HydrophobicContact CB-CG 3.48Å; A108-P310 VanDerWaalsContact CB-CG 3.48Å; P310-R318 WeakPolarHBondContact O-CB 3.41Å
311V73.1Confident71Confident13 Ų1325.2 Ų25.28%0.07915%0.152CC..BIsolated β-bridgetrans-115.2130.8-179-176.60000109.5F38 A108 M110 V118 S309F38-V311 HydrophobicContact CE2-CB 4.42Å; A108-V311 HydrophobicContact CB-CG2 4.11Å; M110-V311 HydrophobicContact CE-CG1 3.72Å; M110-V311 HydrophobicContact CG-CG2 4Å; M110-V311 HydrophobicContact SD-CB 4.44Å; M110-V311 HydrophobicContact SD-CG1 3.9Å; M110-V311 HydrophobicContact SD-CG2 3.68Å; V118-V311 HydrophobicContact CB-CG2 4.1Å; V118-V311 HydrophobicContact CG1-CG2 4.15Å; V118-V311 HydrophobicContact CG2-CG2 4.07Å; S309-V311 WeakPolarHBondContact CB-O 3.47Å; S309-V311 PolarHBondContact O-N 2.81Å; S309-V311 PolarHBondContact OG-N 3.01Å; S309-V311 PolarHBondContact OG-O 3.21Å
312S67.6Low68.3Low13 Ų1327.9 Ų27.99%0.09117%0.169CC..  trans-100.6-169.817449.90000111.8G314 G316S312-G314 PolarHBondContact O-N 3.3Å; S312-G316 PolarHBondContact OG-O 3.37Å; S312-G316 VanDerWaalsContact OG-O 3.07Å
313W65.5Low65.9Low7 Ų729.7 Ų29.73%0.02719%0.19CC..SBendtrans-42.8129174.1-69.1102.8000113.6Q32 Q35 L36 D326 Y328 L342 P351Q32-W313 WeakPolarHBondContact O-CZ3 3.39Å; Q35-W313 HydrophobicContact CB-CE3 3.58Å; Q35-W313 HydrophobicContact CB-CZ3 3.99Å; L36-W313 HydrophobicContact CB-CE3 4.06Å; L36-W313 HydrophobicContact CB-CH2 3.66Å; L36-W313 HydrophobicContact CB-CZ2 4.19Å; L36-W313 HydrophobicContact CB-CZ3 3.6Å; L36-W313 HydrophobicContact CD1-CZ2 4.49Å; L36-W313 HydrophobicContact CD2-CH2 4.34Å; L36-W313 HydrophobicContact CD2-CZ2 4.32Å; L36-W313 HydrophobicContact CG-CH2 4.47Å; W313-D326 VanDerWaalsContact CD1-OD1 3.3Å; W313-D326 VanDerWaalsContact NE1-CG 3.32Å; W313-D326 PolarHBondContact NE1-OD1 2.93Å; W313-Y328 AromaticContact CH2-CD1 3.62Å; W313-Y328 HydrophobicContact CH2-CD1 3.62Å; W313-Y328 HydrophobicContact CH2-CG 4.18Å; W313-Y328 HydrophobicContact CZ2-CD1 4.29Å; W313-L342 HydrophobicContact CH2-CD2 3.69Å; W313-L342 HydrophobicContact CZ2-CD2 4.18Å; W313-L342 HydrophobicContact CZ3-CD2 4.22Å; W313-P351 HydrophobicContact CB-CG 4.4Å; W313-P351 HydrophobicContact CE3-CG 4.44Å
314G62Low63.9Low18 Ų1830.1 Ų30.119%0.18619%0.194CC..THydrogen-bonded Turntrans70.9-145.4173.800000114.4Q35 R37 S312Q35-G314 PolarHBondContact O-N 3.02Å; Q35-G314 VanDerWaalsContact O-N 3.17Å; R37-G314 PolarHBondContact NE-O 3.23Å; R37-G314 PolarHBondContact NH2-O 2.64Å; S312-G314 PolarHBondContact O-N 3.3Å
315D55.1Low62.7Low97 Ų9732.4 Ų32.452%0.51920%0.204SC..THydrogen-bonded Turntrans-94.24.1177.4-79.4-17.3000112.5R37 K114 G317R37-D315 IonicContact CZ-OD1 3.15Å; R37-D315 IonicContact NH2-OD1 2.61Å; R37-D315 PolarHBondContact NH2-OD1 2.87Å; K114-D315 WeakPolarHBondContact CE-OD2 3.08Å; K114-D315 IonicContact NZ-OD2 3.51Å; K114-D315 PolarHBondContact NZ-OD2 3.4Å; D315-G317 PolarHBondContact O-N 2.99Å
316G50.2Low62.3Low29 Ų2932.8 Ų32.830%0.29921%0.206SC..PPolyproline II helixtrans-74.2120178.200000110.7S312S312-G316 PolarHBondContact OG-O 3.37Å; S312-G316 VanDerWaalsContact OG-O 3.07Å
317G48Very low62.4Low25 Ų2533 Ų3326%0.25821%0.208SC..BIsolated β-bridgetrans-58.9143.2168.200000110.4D315D315-G317 PolarHBondContact O-N 2.99Å
318R50.6Low62.9Low11 Ų1130.7 Ų30.74%0.04219%0.194CC..PPolyproline II helixtrans-74.6127.6-176.6-171.4175177.9-177.3-1.8110.5T307 S309 P310 I320T307-R318 VanDerWaalsContact O-CZ 3.27Å; T307-R318 PolarHBondContact O-NH1 2.93Å; T307-R318 PolarHBondContact O-NH2 3.26Å; S309-R318 WeakPolarHBondContact O-CD 3.41Å; S309-R318 PolarHBondContact O-NH1 2.93Å; P310-R318 WeakPolarHBondContact O-CB 3.41Å; R318-I320 HydrophobicContact CG-CG1 4.34Å; R318-I320 PolarHBondContact O-N 3.02Å
319D49.4Very low63.7Low38 Ų3828.1 Ų28.120%0.20318%0.18CC..  trans-81.9110.4163.5-85-24.8000108.7R137 L321R137-D319 WeakPolarHBondContact CB-OD1 3.31Å; R137-D319 WeakPolarHBondContact CG-OD1 3.16Å; R137-D319 PolarHBondContact N-OD1 2.89Å; R137-D319 VanDerWaalsContact N-OD1 3.09Å; D319-L321 PolarHBondContact O-N 2.97Å
320I51.4Low64.5Low13 Ų1327.9 Ų27.97%0.06718%0.179CC..  trans-90.285.3-168.7-60.2162.6000107.8I101 D102 S120 S138 R318I101-I320 HydrophobicContact CD1-CD1 4.1Å; I101-I320 HydrophobicContact CG1-CD1 3.86Å; I101-I320 HydrophobicContact CG1-CG1 3.97Å; I101-I320 HydrophobicContact CG1-CG2 4.19Å; I101-I320 HydrophobicContact CG2-CG2 4.33Å; D102-I320 WeakPolarHBondContact OD1-CG2 3.38Å; S120-I320 VanDerWaalsContact OG-CD1 3.26Å; S120-I320 WeakPolarHBondContact OG-CD1 3.34Å; S138-I320 WeakPolarHBondContact CB-O 3.2Å; S138-I320 PolarHBondContact OG-O 3.44Å; R318-I320 HydrophobicContact CG-CG1 4.34Å; R318-I320 PolarHBondContact O-N 3.02Å
321L44.8Very low65.5Low56 Ų5627.7 Ų27.729%0.29318%0.177SC..SBendtrans-122.4-21.9178.5-113.6168.4000115.3S138 D319S138-L321 VanDerWaalsContact CB-CG 3.47Å; S138-L321 WeakPolarHBondContact O-CD1 3.46Å; S138-L321 VanDerWaalsContact O-CD2 3.31Å; S138-L321 WeakPolarHBondContact O-CD2 3.48Å; S138-L321 WeakPolarHBondContact O-CG 2.91Å; D319-L321 PolarHBondContact O-N 2.97Å
322T39.3Very low66.5Low58 Ų5827.1 Ų27.136%0.35617%0.174SC..SBendtrans-168.6137.1172.637.60000108.2G324T322-G324 PolarHBondContact O-N 3.45Å
323G46.2Very low67.7Low51 Ų5127.2 Ų27.253%0.52617%0.173SC..  trans-36.1120.8170.900000112.1
324G52.6Low68.9Low8 Ų828.8 Ų28.88%0.08218%0.184CC..  trans-153.7113-174.500000108.3T322 K348T322-G324 PolarHBondContact O-N 3.45Å; G324-K348 PolarHBondContact O-NZ 3.03Å
325H67.3Low70.3Confident94 Ų9431.6 Ų31.644%0.43519%0.194SC..  trans-73.3126.3179.9-61.2-79.4000109.1T307T307-H325 WeakPolarHBondContact CG2-CE1 3.32Å; T307-H325 PolarHBondContact OG1-CE1 3.37Å; T307-H325 VanDerWaalsContact OG1-CE1 3.23Å
326D83Confident71.9Confident11 Ų1128.4 Ų28.46%0.05918%0.176CC..  trans-77.7125.6160.4-71.4-31000107.1L36 G305 W313 T344 K348L36-D326 HydrophobicContact CD1-CB 3.71Å; G305-D326 PolarHBondContact N-O 3.3Å; W313-D326 VanDerWaalsContact CD1-OD1 3.3Å; W313-D326 VanDerWaalsContact NE1-CG 3.32Å; W313-D326 PolarHBondContact NE1-OD1 2.93Å; D326-T344 PolarHBondContact OD1-OG1 3.4Å; D326-K348 WeakPolarHBondContact OD1-CD 3.44Å; D326-K348 IonicContact OD1-NZ 3Å; D326-K348 PolarHBondContact OD1-NZ 2.96Å; D326-K348 IonicContact OD2-NZ 3.93Å; D326-K348 PolarHBondContact OD2-NZ 3.41Å
327L89.8Confident74Confident37 Ų3729 Ų2919%0.19417%0.174CC..EExtended strand (participates in β ladder)trans-140.2150.6177.574.591.3000109.5V303 A343V303-L327 CarbonylContact O-C 3.58Å; V303-L327 WeakPolarHBondContact O-CA 3.5Å; V303-L327 WeakPolarHBondContact O-CB 3.37Å; L327-A343 HydrophobicContact CD1-CB 3.76Å; L327-A343 HydrophobicContact CD2-CB 4.1Å; L327-A343 HydrophobicContact CG-CB 3.63Å; L327-A343 PolarHBondContact N-O 3.22Å; L327-A343 PolarHBondContact O-N 2.72Å; L327-A343 VanDerWaalsContact O-O 3.04Å
328Y92.8Very high76.2Confident1 Ų128 Ų280%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-128.9152.2163.566-93.2000111M33 L36 T302 V303 W313 L340 H341M33-Y328 HydrophobicContact CE-CE2 4.25Å; M33-Y328 WeakPolarHBondContact CE-OH 3.45Å; M33-Y328 HydrophobicContact CG-CE2 3.87Å; L36-Y328 HydrophobicContact CB-CD1 4.31Å; L36-Y328 HydrophobicContact CB-CE1 4.19Å; L36-Y328 HydrophobicContact CD2-CD1 3.72Å; L36-Y328 HydrophobicContact CD2-CE1 3.82Å; T302-Y328 CarbonylContact C-O 3.41Å; T302-Y328 WeakPolarHBondContact CA-O 3.29Å; V303-Y328 HydrophobicContact CB-CD1 3.94Å; V303-Y328 HydrophobicContact CB-CD2 4.29Å; V303-Y328 HydrophobicContact CB-CE1 3.48Å; V303-Y328 VanDerWaalsContact CB-CE1 3.48Å; V303-Y328 HydrophobicContact CB-CE2 3.82Å; V303-Y328 HydrophobicContact CB-CG 4.35Å; V303-Y328 VanDerWaalsContact CB-CZ 3.42Å; V303-Y328 HydrophobicContact CG1-CD1 4.4Å; V303-Y328 HydrophobicContact CG1-CE1 3.69Å; V303-Y328 HydrophobicContact CG2-CD2 4.45Å; V303-Y328 HydrophobicContact CG2-CE1 4.05Å; V303-Y328 HydrophobicContact CG2-CE2 3.64Å; V303-Y328 VanDerWaalsContact CG2-CZ 3.42Å; V303-Y328 WeakPolarHBondContact CG2-OH 3.13Å; V303-Y328 PolarHBondContact N-O 2.94Å; V303-Y328 PolarHBondContact O-N 3.38Å; W313-Y328 AromaticContact CH2-CD1 3.62Å; W313-Y328 HydrophobicContact CH2-CD1 3.62Å; W313-Y328 HydrophobicContact CH2-CG 4.18Å; W313-Y328 HydrophobicContact CZ2-CD1 4.29Å; Y328-L340 HydrophobicContact CD2-CD1 4.35Å; Y328-H341 CarbonylContact C-O 3.59Å; Y328-H341 WeakPolarHBondContact CA-O 3.23Å; Y328-H341 WeakPolarHBondContact CB-O 3.06Å
329N95.1Very high78.3Confident0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-125.7127.9170.5173.2-95000109.3L230 S300 V301 T302 L340 H341L230-N329 HydrophobicContact CD2-CB 3.63Å; S300-N329 PolarHBondContact OG-ND2 2.99Å; V301-N329 CarbonylContact O-C 3.52Å; V301-N329 WeakPolarHBondContact O-CA 3.47Å; T302-N329 PolarHBondContact OG1-ND2 3.37Å; N329-L340 WeakPolarHBondContact O-CA 3.35Å; N329-H341 HydrophobicContact CB-CB 4.2Å; N329-H341 PolarHBondContact N-O 2.92Å; N329-H341 PolarHBondContact O-N 3.25Å; N329-H341 PolarHBondContact OD1-ND1 2.99Å
330L96.3Very high80.4Confident0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-111.1110.2174.3-177.866.2000108.7F22 V29 M33 V283 V301 M332 Y338 R339 L340F22-L330 HydrophobicContact CZ-CD2 4.33Å; V29-L330 HydrophobicContact CG2-CD1 3.85Å; V29-L330 HydrophobicContact CG2-CD2 4.16Å; M33-L330 HydrophobicContact SD-CD2 4.38Å; V283-L330 HydrophobicContact CB-CD2 4.48Å; V283-L330 HydrophobicContact CG1-CD2 3.72Å; V283-L330 HydrophobicContact CG2-CD2 3.85Å; V301-L330 HydrophobicContact CB-CB 4.46Å; V301-L330 PolarHBondContact N-O 3.48Å; V301-L330 PolarHBondContact O-N 3.37Å; L330-M332 HydrophobicContact CD2-CG 4.04Å; L330-M332 HydrophobicContact CD2-SD 3.83Å; L330-M332 HydrophobicContact CG-CG 3.8Å; L330-M332 HydrophobicContact CG-SD 4.26Å; L330-Y338 HydrophobicContact CD1-CD2 3.56Å; L330-Y338 HydrophobicContact CD1-CE2 4.31Å; L330-Y338 HydrophobicContact CD1-CG 3.9Å; L330-R339 WeakPolarHBondContact CA-O 3.25Å; L330-L340 HydrophobicContact CD1-CB 4.46Å; L330-L340 HydrophobicContact CD1-CD1 4.36Å
331L95.3Very high82.3Confident1 Ų125.9 Ų25.91%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-97.8119.9173.4-177.767.9000109.2L221 L229 W298 A299 F333 Y338 R339L221-L331 HydrophobicContact CB-CD2 4.18Å; L221-L331 HydrophobicContact CD2-CD2 4.42Å; L229-L331 HydrophobicContact CD2-CD2 4.02Å; W298-L331 HydrophobicContact CD2-CD1 4.45Å; W298-L331 HydrophobicContact CE3-CD1 3.65Å; W298-L331 HydrophobicContact CZ3-CD1 4.23Å; A299-L331 WeakPolarHBondContact O-CA 3.34Å; L331-F333 HydrophobicContact CD2-CE1 4.43Å; L331-F333 HydrophobicContact CD2-CE2 4.08Å; L331-F333 HydrophobicContact CD2-CZ 3.58Å; L331-F333 HydrophobicContact CG-CE2 4.07Å; L331-F333 HydrophobicContact CG-CZ 3.85Å; L331-Y338 CarbonylContact O-C 3.58Å; L331-Y338 WeakPolarHBondContact O-CA 3.07Å; L331-Y338 WeakPolarHBondContact O-CB 3.22Å; L331-R339 HydrophobicContact CB-CB 4.26Å; L331-R339 PolarHBondContact N-O 3.4Å; L331-R339 PolarHBondContact O-N 3.32Å
332M94.5Very high84.4Confident1 Ų123.3 Ų23.31%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-115.4144.2-172.8-58.6-179.2-68.100111.5F22 V283 L286 L290 W298 A299 V301 L330F22-M332 HydrophobicContact CE2-CB 4.4Å; F22-M332 HydrophobicContact CE2-CG 4Å; F22-M332 HydrophobicContact CE2-SD 4.15Å; F22-M332 HydrophobicContact CZ-CG 3.9Å; F22-M332 HydrophobicContact CZ-SD 3.74Å; V283-M332 HydrophobicContact CG1-SD 3.92Å; L286-M332 HydrophobicContact CB-CE 3.54Å; L286-M332 HydrophobicContact CD1-CE 3.83Å; L286-M332 HydrophobicContact CG-CE 4.33Å; L290-M332 HydrophobicContact CD1-CB 3.61Å; W298-M332 WeakPolarHBondContact CA-O 3.46Å; A299-M332 HydrophobicContact CB-CE 3.9Å; A299-M332 PolarHBondContact N-O 2.84Å; A299-M332 PolarHBondContact O-N 3.04Å; V301-M332 HydrophobicContact CG2-CE 3.78Å; L330-M332 HydrophobicContact CD2-CG 4.04Å; L330-M332 HydrophobicContact CD2-SD 3.83Å; L330-M332 HydrophobicContact CG-CG 3.8Å; L330-M332 HydrophobicContact CG-SD 4.26Å
333F92.4Very high86.6Confident16 Ų1621.4 Ų21.47%0.0713%0.128CC..  trans-123.5161.7180-59.7-79.6000111.9L221 R222 W298 L331 D335 H336 T337 R339L221-F333 HydrophobicContact CB-CE1 4.24Å; L221-F333 HydrophobicContact CB-CZ 4.27Å; R222-F333 HydrophobicContact CG-CE1 4.05Å; R222-F333 HydrophobicContact CG-CZ 3.94Å; W298-F333 HydrophobicContact CB-CD1 4.16Å; W298-F333 HydrophobicContact CB-CE1 4.32Å; L331-F333 HydrophobicContact CD2-CE1 4.43Å; L331-F333 HydrophobicContact CD2-CE2 4.08Å; L331-F333 HydrophobicContact CD2-CZ 3.58Å; L331-F333 HydrophobicContact CG-CE2 4.07Å; L331-F333 HydrophobicContact CG-CZ 3.85Å; F333-D335 WeakPolarHBondContact CB-OD1 3.14Å; F333-D335 PolarHBondContact O-N 3.49Å; F333-H336 PolarHBondContact O-N 3Å; F333-T337 WeakPolarHBondContact CD2-O 3.35Å; F333-T337 PolarHBondContact N-O 2.78Å; F333-R339 HydrophobicContact CE2-CG 4.37Å
334P90.3Very high87.9Confident40 Ų4019.3 Ų19.326%0.2611%0.105SC..THydrogen-bonded Turntrans-68.1-22.7-176.6-21.436.3000113.5S297 H336S297-P334 WeakPolarHBondContact O-CD 3.4Å; S297-P334 WeakPolarHBondContact O-CG 3.47Å; P334-H336 PolarHBondContact O-N 3.12Å
335D90.9Very high88.4Confident76 Ų7619.2 Ų19.241%0.40610%0.104SC..THydrogen-bonded Turntrans-82.517.5179.565.5-5.4000113.5R222 F333 T337R222-D335 IonicContact CZ-OD2 2.7Å; R222-D335 IonicContact NH1-OD2 3.29Å; R222-D335 PolarHBondContact NH1-OD2 3.32Å; R222-D335 IonicContact NH2-OD1 3.59Å; R222-D335 PolarHBondContact NH2-OD1 3.16Å; R222-D335 IonicContact NH2-OD2 3.09Å; R222-D335 PolarHBondContact NH2-OD2 3Å; F333-D335 WeakPolarHBondContact CB-OD1 3.14Å; F333-D335 PolarHBondContact O-N 3.49Å; D335-T337 VanDerWaalsContact CG-OG1 3.26Å; D335-T337 PolarHBondContact O-N 2.69Å; D335-T337 VanDerWaalsContact O-N 3.12Å; D335-T337 WeakPolarHBondContact OD1-CB 2.87Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.39Å; D335-T337 PolarHBondContact OD1-N 3.38Å; D335-T337 PolarHBondContact OD1-OG1 2.85Å; D335-T337 PolarHBondContact OD2-OG1 2.89Å
336H90.6Very high87.7Confident30 Ų3015.3 Ų15.314%0.1399%0.088CC..SBendtrans64.91.7-174-62.1-67.3000116S21 F22 L23 Q291 F333 P334S21-H336 CarbonylContact C-O 3.55Å; S21-H336 VanDerWaalsContact CA-O 3.26Å; S21-H336 WeakPolarHBondContact CA-O 3.49Å; S21-H336 PolarHBondContact OG-O 3.26Å; F22-H336 HydrophobicContact CB-CB 4.4Å; F22-H336 VanDerWaalsContact CD2-O 3.22Å; F22-H336 WeakPolarHBondContact CD2-O 3.22Å; F22-H336 PolarHBondContact N-O 2.86Å; L23-H336 HydrophobicContact CD1-CB 3.99Å; L23-H336 HydrophobicContact CG-CB 3.79Å; Q291-H336 PolarHBondContact NE2-CE1 3.24Å; Q291-H336 PolarHBondContact NE2-NE2 3.19Å; Q291-H336 VanDerWaalsContact NE2-NE2 3.14Å; F333-H336 PolarHBondContact O-N 3Å; P334-H336 PolarHBondContact O-N 3.12Å
337T93.6Very high86.2Confident41 Ų4118.6 Ų18.625%0.25210%0.103SC..EExtended strand (participates in β ladder)trans-77.8149.7174.368.30000110.7S20 R222 F333 D335S20-T337 WeakPolarHBondContact O-CA 3.26Å; R222-T337 PolarHBondContact NH1-OG1 2.56Å; F333-T337 WeakPolarHBondContact CD2-O 3.35Å; F333-T337 PolarHBondContact N-O 2.78Å; D335-T337 VanDerWaalsContact CG-OG1 3.26Å; D335-T337 PolarHBondContact O-N 2.69Å; D335-T337 VanDerWaalsContact O-N 3.12Å; D335-T337 WeakPolarHBondContact OD1-CB 2.87Å; D335-T337 WeakPolarHBondContact OD1-CG2 3.39Å; D335-T337 PolarHBondContact OD1-N 3.38Å; D335-T337 PolarHBondContact OD1-OG1 2.85Å; D335-T337 PolarHBondContact OD2-OG1 2.89Å
338Y94.5Very high84.5Confident5 Ų518 Ų182%0.0210%0.099CC..EExtended strand (participates in β ladder)trans-141.5160.6174.169.1-99.2000112.1S20 F22 N27 V29 L330 L331 L340S20-Y338 WeakPolarHBondContact CB-OH 3.49Å; S20-Y338 PolarHBondContact N-O 2.85Å; S20-Y338 PolarHBondContact O-N 3.05Å; F22-Y338 HydrophobicContact CD1-CD1 4.16Å; F22-Y338 HydrophobicContact CD1-CE1 4.31Å; F22-Y338 AromaticContact CD2-CD1 3.93Å; F22-Y338 HydrophobicContact CD2-CD1 3.93Å; F22-Y338 HydrophobicContact CE1-CD1 4.07Å; F22-Y338 HydrophobicContact CE1-CE1 4.42Å; F22-Y338 AromaticContact CE2-CD1 3.83Å; F22-Y338 HydrophobicContact CE2-CD1 3.83Å; F22-Y338 HydrophobicContact CE2-CG 4.26Å; F22-Y338 HydrophobicContact CG-CD1 4.09Å; F22-Y338 HydrophobicContact CG-CE1 4.47Å; F22-Y338 AromaticContact CZ-CD1 3.89Å; F22-Y338 HydrophobicContact CZ-CD1 3.89Å; F22-Y338 HydrophobicContact CZ-CG 4.23Å; N27-Y338 WeakPolarHBondContact OD1-CE1 3.43Å; N27-Y338 PolarHBondContact OD1-OH 3.23Å; V29-Y338 HydrophobicContact CB-CE1 4.32Å; V29-Y338 HydrophobicContact CB-CE2 4.25Å; V29-Y338 HydrophobicContact CG2-CE2 4.22Å; L330-Y338 HydrophobicContact CD1-CD2 3.56Å; L330-Y338 HydrophobicContact CD1-CE2 4.31Å; L330-Y338 HydrophobicContact CD1-CG 3.9Å; L331-Y338 CarbonylContact O-C 3.58Å; L331-Y338 WeakPolarHBondContact O-CA 3.07Å; L331-Y338 WeakPolarHBondContact O-CB 3.22Å; Y338-L340 HydrophobicContact CD2-CB 4.28Å; Y338-L340 HydrophobicContact CE2-CB 4.11Å
339R94.2Very high82.6Confident17 Ų1723.2 Ų23.26%0.06413%0.131CC..EExtended strand (participates in β ladder)trans-117.9127.7165.1-56.7-173.1168.9-166.8-13.6109.4E18 R19 L221 R222 L330 L331 F333E18-R339 CarbonylContact O-C 3.54Å; E18-R339 VanDerWaalsContact O-CA 3.3Å; E18-R339 WeakPolarHBondContact O-CA 3.07Å; R19-R339 HydrophobicContact CG-CG 4.23Å; L221-R339 PolarHBondContact O-NH1 3.32Å; R222-R339 PolarHBondContact O-NH2 3.02Å; L330-R339 WeakPolarHBondContact CA-O 3.25Å; L331-R339 HydrophobicContact CB-CB 4.26Å; L331-R339 PolarHBondContact N-O 3.4Å; L331-R339 PolarHBondContact O-N 3.32Å; F333-R339 HydrophobicContact CE2-CG 4.37Å
340L93.3Very high80.3Confident1 Ų124.2 Ų24.21%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-107.8124.3173.8179.864.9000108.4C17 E18 Q32 Y328 N329 L330 Y338 L342C17-L340 WeakPolarHBondContact CA-O 2.88Å; E18-L340 HydrophobicContact CB-CB 4.42Å; E18-L340 PolarHBondContact N-O 2.67Å; E18-L340 PolarHBondContact O-N 3.05Å; Q32-L340 HydrophobicContact CB-CD2 3.95Å; Q32-L340 HydrophobicContact CG-CD2 4.4Å; Y328-L340 HydrophobicContact CD2-CD1 4.35Å; N329-L340 WeakPolarHBondContact O-CA 3.35Å; L330-L340 HydrophobicContact CD1-CB 4.46Å; L330-L340 HydrophobicContact CD1-CD1 4.36Å; Y338-L340 HydrophobicContact CD2-CB 4.28Å; Y338-L340 HydrophobicContact CE2-CB 4.11Å; L340-L342 HydrophobicContact CD1-CD2 3.96Å; L340-L342 HydrophobicContact CD2-CD1 4.47Å; L340-L342 HydrophobicContact CD2-CD2 4.04Å; L340-L342 HydrophobicContact CD2-CG 4.28Å; L340-L342 HydrophobicContact CG-CD2 3.92Å; L340-L342 HydrophobicContact CG-CG 4.15Å
341H92Very high78.4Confident0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-112.4118.7174.1-52.4103.9000107.9L15 V16 C17 L230 Y328 N329L15-H341 HydrophobicContact CD1-CB 4.13Å; V16-H341 CarbonylContact O-C 3.55Å; V16-H341 WeakPolarHBondContact O-CA 3.33Å; C17-H341 VanDerWaalsContact SG-CD2 3.58Å; L230-H341 HydrophobicContact CD1-CB 4.1Å; L230-H341 HydrophobicContact CD2-CB 4.09Å; L230-H341 HydrophobicContact CG-CB 4.38Å; Y328-H341 CarbonylContact C-O 3.59Å; Y328-H341 WeakPolarHBondContact CA-O 3.23Å; Y328-H341 WeakPolarHBondContact CB-O 3.06Å; N329-H341 HydrophobicContact CB-CB 4.2Å; N329-H341 PolarHBondContact N-O 2.92Å; N329-H341 PolarHBondContact O-N 3.25Å; N329-H341 PolarHBondContact OD1-ND1 2.99Å
342L89.1Confident76Confident1 Ų131.6 Ų31.61%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-108.2112.1174.6-54.1176000107.9L15 V16 W313 L340L15-L342 WeakPolarHBondContact CA-O 3.27Å; V16-L342 HydrophobicContact CB-CB 4.24Å; V16-L342 PolarHBondContact N-O 3.43Å; V16-L342 PolarHBondContact O-N 3.31Å; W313-L342 HydrophobicContact CH2-CD2 3.69Å; W313-L342 HydrophobicContact CZ2-CD2 4.18Å; W313-L342 HydrophobicContact CZ3-CD2 4.22Å; L340-L342 HydrophobicContact CD1-CD2 3.96Å; L340-L342 HydrophobicContact CD2-CD1 4.47Å; L340-L342 HydrophobicContact CD2-CD2 4.04Å; L340-L342 HydrophobicContact CD2-CG 4.28Å; L340-L342 HydrophobicContact CG-CD2 3.92Å; L340-L342 HydrophobicContact CG-CG 4.15Å
343A84.1Confident75.1Confident19 Ų1933.1 Ų33.116%0.15720%0.195CC..EExtended strand (participates in β ladder)trans-107.4133.3175.500000109.6L15 L327L15-A343 HydrophobicContact CD1-CB 4.11Å; L327-A343 HydrophobicContact CD1-CB 3.76Å; L327-A343 HydrophobicContact CD2-CB 4.1Å; L327-A343 HydrophobicContact CG-CB 3.63Å; L327-A343 PolarHBondContact N-O 3.22Å; L327-A343 PolarHBondContact O-N 2.72Å; L327-A343 VanDerWaalsContact O-O 3.04Å
344T74.8Confident74.1Confident6 Ų634 Ų344%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-132.4140.9179.6-156.40000110.2L14 D326 K348 C350L14-T344 HydrophobicContact CB-CG2 3.83Å; L14-T344 HydrophobicContact CD2-CG2 4.31Å; L14-T344 HydrophobicContact CG-CG2 4.49Å; L14-T344 PolarHBondContact N-O 3.25Å; L14-T344 PolarHBondContact O-N 3.48Å; L14-T344 VanDerWaalsContact O-N 3.07Å; D326-T344 PolarHBondContact OD1-OG1 3.4Å; T344-K348 HydrophobicContact CG2-CB 3.7Å; T344-K348 WeakPolarHBondContact OG1-CB 3.26Å; T344-K348 WeakPolarHBondContact OG1-CD 3.48Å; T344-C350 WeakPolarHBondContact CG2-SG 3.27Å
345G63.2Low73.2Confident7 Ų733.7 Ų33.77%0.07220%0.198CC..  trans-67.4175.517800000114Q347 K348G345-Q347 PolarHBondContact O-N 3.32Å; G345-K348 WeakPolarHBondContact O-CG 3.44Å; G345-K348 PolarHBondContact O-N 3.43Å
346A51.9Low72.2Confident11 Ų1131.2 Ų31.29%0.09119%0.186CC..THydrogen-bonded Turntrans-45.5127.1-174.800000114.4R12 K348R12-A346 VanDerWaalsContact O-CA 3.26Å; R12-A346 WeakPolarHBondContact O-CA 3.39Å; A346-K348 PolarHBondContact O-N 3.14Å
347Q51.9Low71.1Confident80 Ų8031.3 Ų31.337%0.37419%0.189SC..THydrogen-bonded Turntrans68.618.9174.1-53.8-173.37.500117.1G345G345-Q347 PolarHBondContact O-N 3.32Å
348K53.9Low69.6Low24 Ų2430.6 Ų30.610%0.10418%0.184CC..PPolyproline II helixtrans-90.3148.6175-63.1176.2-176.2-1740111.8G324 D326 T344 G345 A346G324-K348 PolarHBondContact O-NZ 3.03Å; D326-K348 WeakPolarHBondContact OD1-CD 3.44Å; D326-K348 IonicContact OD1-NZ 3Å; D326-K348 PolarHBondContact OD1-NZ 2.96Å; D326-K348 IonicContact OD2-NZ 3.93Å; D326-K348 PolarHBondContact OD2-NZ 3.41Å; T344-K348 HydrophobicContact CG2-CB 3.7Å; T344-K348 WeakPolarHBondContact OG1-CB 3.26Å; T344-K348 WeakPolarHBondContact OG1-CD 3.48Å; G345-K348 WeakPolarHBondContact O-CG 3.44Å; G345-K348 PolarHBondContact O-N 3.43Å; A346-K348 PolarHBondContact O-N 3.14Å
349T53.2Low67.8Low111 Ų11132.4 Ų32.468%0.68120%0.196SC*.PPolyproline II helixtrans-91.2118.2168.350.30000108.6
350C46.4Very low65.7Low22 Ų2233.6 Ų33.615%0.14921%0.206CC..PPolyproline II helixtrans-73.4138.6165.9-76.60000109.5L14 V16 T344L14-C350 HydrophobicContact CD2-CB 3.68Å; V16-C350 HydrophobicContact CG2-CB 3.58Å; T344-C350 WeakPolarHBondContact CG2-SG 3.27Å
351P56.4Low63.5Low22 Ų2236.3 Ų36.314%0.14322%0.223CC..PPolyproline II helixtrans-63.1153.7166.125.1-29.1000110.8Q35 W313Q35-P351 HydrophobicContact CB-CG 4.48Å; Q35-P351 VanDerWaalsContact CD-CG 3.48Å; Q35-P351 HydrophobicContact CG-CG 4.44Å; W313-P351 HydrophobicContact CB-CG 4.4Å; W313-P351 HydrophobicContact CE3-CG 4.44Å
352P44.6Very low60.9Low133 Ų13339.6 Ų39.686%0.86424%0.243SC*.  trans-81.30-179.936.1-38.1000114.2

Retrieved 352 of 352 residues in 278.2 ms (Link to these results)

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