A0A077YY79_TRITR Loading...

Small nuclear ribonucleoprotein E

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome.

AlphaFold DB , UniProt , Accession A0A077YY79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 92 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
1M56.1Low68.1Low236 Ų236166.6 Ų166.6100%1.16386%0.855SS**  0990-74.8179.6172.800107.2H3M1-H3 PolarHBondContact O-N 3.15Å
2E59.4Low69Low189 Ų189169.1 Ų169.188%0.88386%0.855SS**  trans-81.6107.8-176.4-128.5179.9153.900109.1R4E2-R4 PolarHBondContact O-N 3.12Å; E2-R4 VanDerWaalsContact O-N 3.12Å
3H60.6Low69.8Low184 Ų184165.7 Ų165.785%0.85285%0.847SS**  trans-72.499171.4-95.8-126.6000108.7M1M1-H3 PolarHBondContact O-N 3.15Å
4R66.6Low71Confident225 Ų225166.8 Ų166.885%0.84985%0.85SS**  trans-65.7130165-69.3-174.4-179.3172.50.9108.1E2 S6E2-R4 PolarHBondContact O-N 3.12Å; E2-R4 VanDerWaalsContact O-N 3.12Å; R4-S6 PolarHBondContact O-N 2.89Å
5P65.1Low72.2Confident121 Ų121160.4 Ų160.479%0.78682%0.822SS**  trans-59.7125.917723.7-30.8000108.4G7P5-G7 PolarHBondContact O-N 3.27Å
6S70.1Confident73.5Confident113 Ų113158.7 Ų158.779%0.7981%0.81SS**  trans-56.4108.5169.240.10000107.2R4 Q8R4-S6 PolarHBondContact O-N 2.89Å; S6-Q8 PolarHBondContact O-N 3.18Å
7G71.9Confident74.6Confident68 Ų68155.2 Ų155.270%0.70180%0.8SS**  trans-50.3118.5178.200000108.7P5 K9P5-G7 PolarHBondContact O-N 3.27Å; G7-K9 PolarHBondContact O-N 2.86Å
8Q72.7Confident75.7Confident187 Ų187151.7 Ų151.787%0.87478%0.782SS**  trans-56.6107.2173.5-82.1176.2-26.500106.6S6 V10S6-Q8 PolarHBondContact O-N 3.18Å; Q8-V10 VanDerWaalsContact C-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.39Å
9K73.9Confident76.7Confident198 Ų198148.2 Ų148.286%0.86177%0.765SS**  trans-6299.8170.7-75.7-177.9178.1178.80105.9G7 Q11G7-K9 PolarHBondContact O-N 2.86Å; K9-Q11 PolarHBondContact O-N 2.91Å
10V77.1Confident77.6Confident136 Ų136143.9 Ų143.982%0.82474%0.743SS**  trans-55.6109.5171.8178.80000106Q8 K12Q8-V10 VanDerWaalsContact C-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.39Å; V10-K12 PolarHBondContact O-N 2.82Å; V10-K12 VanDerWaalsContact O-N 3.14Å
11Q75.2Confident78.4Confident176 Ų176137.7 Ų137.782%0.82271%0.711SS**  trans-63.7118.7174.1-74.2-177.5-1200106.7K9 V13K9-Q11 PolarHBondContact O-N 2.91Å; Q11-V13 PolarHBondContact O-N 3.25Å
12K79Confident80.4Confident196 Ų196130.5 Ų130.585%0.85267%0.673SS**  trans-62.7108.4176.7-171.8175.8-177.6178.80107.2V10 M14V10-K12 PolarHBondContact O-N 2.82Å; V10-K12 VanDerWaalsContact O-N 3.14Å; K12-M14 PolarHBondContact O-N 3.23Å; K12-M14 VanDerWaalsContact O-N 3.14Å
13V79.8Confident82.1Confident125 Ų125127.9 Ų127.976%0.75866%0.655SS**PPolyproline II helixtrans-55.8122.1175.5178.60000107.5Q11 V15Q11-V13 PolarHBondContact O-N 3.25Å; V13-V15 PolarHBondContact O-N 2.86Å
14M86.9Confident83.9Confident181 Ų181119.9 Ų119.989%0.89262%0.618SS**PPolyproline II helixtrans-72.8124.3174.7-70.1-145.4-69.300108.9K12K12-M14 PolarHBondContact O-N 3.23Å; K12-M14 VanDerWaalsContact O-N 3.14Å
15V89Confident85.3Confident71 Ų71111.7 Ų111.743%0.4359%0.591SS.*PPolyproline II helixtrans-82.6134.9176.2-178.80000107.9V13 N19V13-V15 PolarHBondContact O-N 2.86Å; V15-N19 HydrophobicContact CG1-CB 3.74Å
16Q93.3Very high86.8Confident133 Ų133113.8 Ų113.862%0.62159%0.59SS**PPolyproline II helixtrans-61140.7172.7-68.8-168.6-200110.6I18 N19 L20Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 2.84Å; Q16-N19 WeakPolarHBondContact O-CB 3.44Å; Q16-N19 PolarHBondContact O-N 2.93Å; Q16-L20 PolarHBondContact O-N 3.21Å
17P91.8Very high88Confident100 Ų100111.5 Ų111.565%0.64957%0.574SS**Hα-helixtrans-55.8-39.3-175.7-28.635.6000114.4N19 L20 I21P17-N19 VanDerWaalsContact C-N 3.31Å; P17-N19 PolarHBondContact O-N 3.5Å; P17-L20 WeakPolarHBondContact O-CA 3.44Å; P17-L20 VanDerWaalsContact O-CB 3.32Å; P17-L20 WeakPolarHBondContact O-CB 3.48Å; P17-L20 PolarHBondContact O-N 2.84Å; P17-I21 PolarHBondContact O-N 2.92Å
18I94.5Very high89.2Confident91 Ų91115.1 Ų115.147%0.46757%0.567SS.*Hα-helixtrans-60-42.6177.6-66.6172.6000110.9Q16 L20 I21 F22Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 2.84Å; I18-L20 PolarHBondContact O-N 3Å; I18-I21 PolarHBondContact O-N 2.8Å; I18-I21 VanDerWaalsContact O-N 3.16Å; I18-F22 HydrophobicContact CG2-CD2 3.56Å; I18-F22 HydrophobicContact CG2-CE2 3.28Å; I18-F22 HydrophobicContact CG2-CZ 4.34Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.27Å; I18-F22 PolarHBondContact O-N 2.79Å
19N94.8Very high90.4Very high85 Ų85108 Ų10846%0.45554%0.536SS..Hα-helixtrans-65-28.8176.7-68.5-16.9000112.4V15 Q16 P17 R23V15-N19 HydrophobicContact CG1-CB 3.74Å; Q16-N19 WeakPolarHBondContact O-CB 3.44Å; Q16-N19 PolarHBondContact O-N 2.93Å; P17-N19 VanDerWaalsContact C-N 3.31Å; P17-N19 PolarHBondContact O-N 3.5Å; N19-R23 WeakPolarHBondContact O-CB 3.18Å; N19-R23 PolarHBondContact O-N 3.14Å
20L94.2Very high91.5Very high63 Ų63101.4 Ų101.433%0.3351%0.506SS..Hα-helixtrans-71-40.8173.9-17762.6000111.5Q16 P17 I18 R23 F24Q16-L20 PolarHBondContact O-N 3.21Å; P17-L20 WeakPolarHBondContact O-CA 3.44Å; P17-L20 VanDerWaalsContact O-CB 3.32Å; P17-L20 WeakPolarHBondContact O-CB 3.48Å; P17-L20 PolarHBondContact O-N 2.84Å; I18-L20 PolarHBondContact O-N 3Å; L20-R23 WeakPolarHBondContact O-CB 3.14Å; L20-R23 PolarHBondContact O-N 2.96Å; L20-F24 HydrophobicContact CD1-CE1 3.77Å; L20-F24 HydrophobicContact CD1-CE2 4.28Å; L20-F24 HydrophobicContact CD1-CZ 3.64Å; L20-F24 HydrophobicContact CD2-CE2 4.15Å; L20-F24 HydrophobicContact CD2-CZ 3.94Å; L20-F24 HydrophobicContact CG-CD2 4.44Å; L20-F24 HydrophobicContact CG-CE1 4.16Å; L20-F24 HydrophobicContact CG-CE2 3.74Å; L20-F24 HydrophobicContact CG-CZ 3.58Å; L20-F24 WeakPolarHBondContact O-CG 3.5Å; L20-F24 PolarHBondContact O-N 3.18Å
21I95.6Very high92.5Very high13 Ų1395 Ų957%0.06747%0.467CS..Hα-helixtrans-66.7-43175.9-61.9170.3000110.6P17 I18 R23 F24 L25 I47 F50 M54 I87P17-I21 PolarHBondContact O-N 2.92Å; I18-I21 PolarHBondContact O-N 2.8Å; I18-I21 VanDerWaalsContact O-N 3.16Å; I21-R23 PolarHBondContact O-N 2.77Å; I21-F24 PolarHBondContact O-N 3.05Å; I21-F24 VanDerWaalsContact O-N 3.09Å; I21-L25 PolarHBondContact O-N 2.85Å; I21-I47 HydrophobicContact CG2-CD1 4.27Å; I21-F50 HydrophobicContact CG2-CD1 3.72Å; I21-F50 HydrophobicContact CG2-CD2 4.48Å; I21-F50 HydrophobicContact CG2-CE1 3.67Å; I21-F50 HydrophobicContact CG2-CE2 4.43Å; I21-F50 HydrophobicContact CG2-CG 4.13Å; I21-F50 HydrophobicContact CG2-CZ 4.03Å; I21-M54 HydrophobicContact CD1-CE 3.3Å; I21-I87 HydrophobicContact CD1-CD1 4.06Å; I21-I87 HydrophobicContact CG1-CD1 4.39Å
22F96.7Very high93.5Very high86 Ų8688.3 Ų88.338%0.37744%0.436SS..Hα-helixtrans-56.4-40.7171.9-81.9-58.4000111.9I18 L25 Q26 F50I18-F22 HydrophobicContact CG2-CD2 3.56Å; I18-F22 HydrophobicContact CG2-CE2 3.28Å; I18-F22 HydrophobicContact CG2-CZ 4.34Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.27Å; I18-F22 PolarHBondContact O-N 2.79Å; F22-L25 PolarHBondContact O-N 3.01Å; F22-Q26 WeakPolarHBondContact O-CB 3.27Å; F22-Q26 WeakPolarHBondContact O-CG 3.48Å; F22-Q26 PolarHBondContact O-N 2.84Å; F22-F50 AromaticContact CD1-CE1 3.92Å; F22-F50 HydrophobicContact CD1-CE1 3.92Å; F22-F50 AromaticContact CD1-CZ 3.69Å; F22-F50 HydrophobicContact CD1-CZ 3.69Å; F22-F50 HydrophobicContact CD2-CZ 4.33Å; F22-F50 AromaticContact CE1-CE1 3.94Å; F22-F50 HydrophobicContact CE1-CE1 3.94Å; F22-F50 HydrophobicContact CE1-CE2 4.45Å; F22-F50 AromaticContact CE1-CZ 3.43Å; F22-F50 HydrophobicContact CE1-CZ 3.43Å; F22-F50 VanDerWaalsContact CE1-CZ 3.43Å; F22-F50 HydrophobicContact CE2-CZ 4.12Å; F22-F50 HydrophobicContact CG-CZ 4.12Å; F22-F50 HydrophobicContact CZ-CE2 4.34Å; F22-F50 AromaticContact CZ-CZ 3.66Å; F22-F50 HydrophobicContact CZ-CZ 3.66Å
23R96Very high94.4Very high133 Ų13379 Ų7950%0.50240%0.395SS..Hα-helixtrans-60.7-50.3173.8-173.6-176.3-60.6175.6-0.5110.9N19 L20 I21 L25 Q26 S27N19-R23 WeakPolarHBondContact O-CB 3.18Å; N19-R23 PolarHBondContact O-N 3.14Å; L20-R23 WeakPolarHBondContact O-CB 3.14Å; L20-R23 PolarHBondContact O-N 2.96Å; I21-R23 PolarHBondContact O-N 2.77Å; R23-L25 VanDerWaalsContact C-N 3.27Å; R23-L25 PolarHBondContact O-N 2.77Å; R23-Q26 PolarHBondContact O-N 3.03Å; R23-S27 PolarHBondContact O-N 2.82Å; R23-S27 PolarHBondContact O-OG 2.93Å
24F97Very high95.2Very high16 Ų1677.4 Ų77.47%0.0738%0.376CS..Hα-helixtrans-57.5-40.4179-62.5-28.9000112.9L20 I21 R28 T29 V31 I47 I87 A89L20-F24 HydrophobicContact CD1-CE1 3.77Å; L20-F24 HydrophobicContact CD1-CE2 4.28Å; L20-F24 HydrophobicContact CD1-CZ 3.64Å; L20-F24 HydrophobicContact CD2-CE2 4.15Å; L20-F24 HydrophobicContact CD2-CZ 3.94Å; L20-F24 HydrophobicContact CG-CD2 4.44Å; L20-F24 HydrophobicContact CG-CE1 4.16Å; L20-F24 HydrophobicContact CG-CE2 3.74Å; L20-F24 HydrophobicContact CG-CZ 3.58Å; L20-F24 WeakPolarHBondContact O-CG 3.5Å; L20-F24 PolarHBondContact O-N 3.18Å; I21-F24 PolarHBondContact O-N 3.05Å; I21-F24 VanDerWaalsContact O-N 3.09Å; F24-R28 PolarHBondContact O-N 2.82Å; F24-T29 HydrophobicContact CD1-CG2 3.93Å; F24-T29 HydrophobicContact CE1-CG2 4.35Å; F24-T29 PolarHBondContact O-N 2.78Å; F24-V31 HydrophobicContact CB-CG1 3.91Å; F24-V31 HydrophobicContact CD1-CG1 4.36Å; F24-V31 HydrophobicContact CD2-CG1 3.65Å; F24-V31 HydrophobicContact CE2-CG1 4.2Å; F24-V31 HydrophobicContact CG-CG1 3.74Å; F24-I47 HydrophobicContact CB-CD1 4.26Å; F24-I87 HydrophobicContact CD2-CG2 4.09Å; F24-I87 HydrophobicContact CE2-CG2 4.05Å; F24-A89 HydrophobicContact CE1-CB 3.93Å; F24-A89 HydrophobicContact CZ-CB 4.21Å
25L96.7Very high95.7Very high54 Ų5470.4 Ų70.428%0.28334%0.341SS..Hα-helixtrans-62.7-51.7174.2174.964.3000111.6I21 F22 R23 R28 I47 I48 F50I21-L25 PolarHBondContact O-N 2.85Å; F22-L25 PolarHBondContact O-N 3.01Å; R23-L25 VanDerWaalsContact C-N 3.27Å; R23-L25 PolarHBondContact O-N 2.77Å; L25-R28 PolarHBondContact O-N 3.04Å; L25-I47 HydrophobicContact CB-CG2 4.39Å; L25-I47 HydrophobicContact CD1-CG2 4.27Å; L25-I47 VanDerWaalsContact CD1-O 3.24Å; L25-I47 WeakPolarHBondContact CD1-O 3.32Å; L25-I48 VanDerWaalsContact CD1-C 3.44Å; L25-F50 HydrophobicContact CD2-CD1 4.26Å; L25-F50 HydrophobicContact CD2-CE1 3.9Å
26Q96.7Very high96Very high164 Ų16473.7 Ų73.777%0.76635%0.347SS*.Hα-helixtrans-67.9-41-175.8-74.4178.6-1700113.3F22 R23 R28F22-Q26 WeakPolarHBondContact O-CB 3.27Å; F22-Q26 WeakPolarHBondContact O-CG 3.48Å; F22-Q26 PolarHBondContact O-N 2.84Å; R23-Q26 PolarHBondContact O-N 3.03Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 2.72Å
27S96.3Very high96.1Very high66 Ų6675.1 Ų75.146%0.46235%0.354SS..THydrogen-bonded Turntrans-86.85.8-179.456.40000113.7R23 T29R23-S27 PolarHBondContact O-N 2.82Å; R23-S27 PolarHBondContact O-OG 2.93Å; S27-T29 PolarHBondContact O-N 2.86Å; S27-T29 PolarHBondContact OG-OG1 3.26Å
28R96.2Very high96.1Very high144 Ų14472.8 Ų72.854%0.54334%0.336SS..THydrogen-bonded Turntrans45.848.9-173.8-166.8-176.8173.7140.5-1.9110.6F24 L25 Q26 F46 E60F24-R28 PolarHBondContact O-N 2.82Å; L25-R28 PolarHBondContact O-N 3.04Å; Q26-R28 VanDerWaalsContact C-N 3.27Å; Q26-R28 PolarHBondContact O-N 2.72Å; R28-F46 HydrophobicContact CG-CB 4.31Å; R28-F46 HydrophobicContact CG-CD1 3.68Å; R28-F46 HydrophobicContact CG-CE1 4.18Å; R28-F46 HydrophobicContact CG-CG 4.06Å; R28-F46 WeakPolarHBondContact O-CD1 3.33Å; R28-F46 VanDerWaalsContact O-CE1 3.23Å; R28-F46 WeakPolarHBondContact O-CE1 3.33Å; R28-E60 IonicContact NH2-OE1 2.87Å; R28-E60 PolarHBondContact NH2-OE1 2.94Å
29T97.3Very high96Very high38 Ų3873.2 Ų73.223%0.23334%0.343CS..  trans-77.3132.1-178.8-63.30000109.5F24 S27 V31 A89F24-T29 HydrophobicContact CD1-CG2 3.93Å; F24-T29 HydrophobicContact CE1-CG2 4.35Å; F24-T29 PolarHBondContact O-N 2.78Å; S27-T29 PolarHBondContact O-N 2.86Å; S27-T29 PolarHBondContact OG-OG1 3.26Å; T29-V31 PolarHBondContact O-N 2.72Å; T29-A89 HydrophobicContact CG2-CB 3.92Å
30R97.4Very high95.9Very high59 Ų5974.6 Ų74.622%0.22335%0.346CS..EExtended strand (participates in β ladder)trans-68.6119.1172-165.7168.5175.5133-6.1108.7E44 G45 F46 E62 V90R30-E44 IonicContact NE-OE2 3.76Å; R30-E44 PolarHBondContact NE-OE2 2.95Å; R30-E44 IonicContact NH2-OE2 3.51Å; R30-G45 WeakPolarHBondContact CA-O 3.21Å; R30-F46 HydrophobicContact CB-CD1 4.23Å; R30-F46 HydrophobicContact CB-CE1 3.69Å; R30-F46 HydrophobicContact CB-CZ 4.13Å; R30-F46 HydrophobicContact CG-CE1 4.33Å; R30-F46 HydrophobicContact CG-CZ 4.39Å; R30-E62 IonicContact CZ-OE1 3.86Å; R30-E62 IonicContact NH1-OE1 3.38Å; R30-E62 IonicContact NH2-OE1 2.82Å; R30-E62 PolarHBondContact NH2-OE1 3.33Å; R30-E62 IonicContact NH2-OE2 2.88Å; R30-E62 PolarHBondContact NH2-OE2 3.47Å; R30-V90 HydrophobicContact CG-CG2 4.11Å; R30-V90 PolarHBondContact O-N 3.4Å
31V98Very high95.9Very high0 Ų072 Ų720%033%0.334CS..EExtended strand (participates in β ladder)trans-106.2152.7-179.8-62.90000110.6F24 T29 I33 E44 G45 I47 L58 I87 Q88F24-V31 HydrophobicContact CB-CG1 3.91Å; F24-V31 HydrophobicContact CD1-CG1 4.36Å; F24-V31 HydrophobicContact CD2-CG1 3.65Å; F24-V31 HydrophobicContact CE2-CG1 4.2Å; F24-V31 HydrophobicContact CG-CG1 3.74Å; T29-V31 PolarHBondContact O-N 2.72Å; V31-I33 HydrophobicContact CG2-CD1 4.49Å; V31-I33 HydrophobicContact CG2-CG1 4.25Å; V31-E44 CarbonylContact O-C 3.45Å; V31-E44 WeakPolarHBondContact O-CA 3.23Å; V31-G45 WeakPolarHBondContact CG2-O 3.15Å; V31-G45 PolarHBondContact N-O 2.69Å; V31-G45 PolarHBondContact O-N 3.32Å; V31-I47 HydrophobicContact CG1-CD1 4.12Å; V31-I47 HydrophobicContact CG1-CG1 4.44Å; V31-I47 HydrophobicContact CG2-CD1 4.01Å; V31-I47 HydrophobicContact CG2-CG1 3.73Å; V31-L58 HydrophobicContact CG2-CD2 4.22Å; V31-I87 HydrophobicContact CB-CG2 4.15Å; V31-I87 HydrophobicContact CG1-CG2 4.2Å; V31-I87 HydrophobicContact CG2-CG2 4.5Å; V31-Q88 CarbonylContact C-O 3.55Å; V31-Q88 WeakPolarHBondContact CA-O 3.46Å; V31-Q88 WeakPolarHBondContact CB-O 3.2Å
32Q97.1Very high95.9Very high36 Ų3672 Ų7217%0.16833%0.333CS..EExtended strand (participates in β ladder)trans-109.3128.4165-172.6-176.2-53.700108.8R42 L43 E44 Q88 V90Q32-R42 HydrophobicContact CG-CB 3.8Å; Q32-R42 HydrophobicContact CG-CG 4.31Å; Q32-L43 CarbonylContact C-O 3.45Å; Q32-L43 WeakPolarHBondContact CA-O 3.39Å; Q32-E44 HydrophobicContact CB-CG 4.17Å; Q32-E44 HydrophobicContact CG-CG 4.09Å; Q32-Q88 HydrophobicContact CB-CG 4.03Å; Q32-Q88 PolarHBondContact N-O 3.21Å; Q32-Q88 PolarHBondContact O-N 2.97Å; Q32-V90 HydrophobicContact CB-CG2 4Å
33I97.6Very high95.9Very high0 Ų068.6 Ų68.60%032%0.318CS..EExtended strand (participates in β ladder)trans-110.1129.5178.3-57.2-172.6000109.7V31 L43 I56 L58 L79 I84 L86 I87V31-I33 HydrophobicContact CG2-CD1 4.49Å; V31-I33 HydrophobicContact CG2-CG1 4.25Å; I33-L43 HydrophobicContact CB-CB 4.39Å; I33-L43 PolarHBondContact N-O 2.83Å; I33-L43 PolarHBondContact O-N 2.87Å; I33-I56 HydrophobicContact CD1-CD1 4.16Å; I33-L58 HydrophobicContact CD1-CD1 4.02Å; I33-L58 HydrophobicContact CD1-CD2 4.06Å; I33-L58 HydrophobicContact CD1-CG 4.43Å; I33-L79 HydrophobicContact CB-CD2 4.38Å; I33-L79 HydrophobicContact CD1-CD2 3.84Å; I33-L79 HydrophobicContact CG2-CD2 3.71Å; I33-I84 HydrophobicContact CG2-CG1 4.18Å; I33-I84 HydrophobicContact CG2-CG2 4.03Å; I33-L86 WeakPolarHBondContact CA-O 3.36Å; I33-I87 HydrophobicContact CD1-CG1 4.5Å; I33-I87 HydrophobicContact CG1-CG1 4.33Å
34W96.9Very high96Very high93 Ų9362.3 Ų62.335%0.35230%0.295SS..EExtended strand (participates in β ladder)trans-92.2129.6173.5-68.836.8000108.8R42 T85 L86W34-R42 VanDerWaalsContact CD1-CD 3.47Å; W34-R42 VanDerWaalsContact CD2-NH2 3.31Å; W34-R42 VanDerWaalsContact CZ3-NH2 3.28Å; W34-T85 PolarHBondContact O-N 3.46Å; W34-L86 HydrophobicContact CB-CB 3.92Å; W34-L86 HydrophobicContact CD2-CB 4.43Å; W34-L86 HydrophobicContact CD2-CD2 4.12Å; W34-L86 HydrophobicContact CG-CB 3.95Å; W34-L86 HydrophobicContact CG-CD2 4.24Å; W34-L86 PolarHBondContact N-O 3.26Å
35L96.5Very high96Very high33 Ų3361.6 Ų61.617%0.17329%0.291CS..EExtended strand (participates in β ladder)trans-86.7142.8-178.7-64.3178.9000110.9E37 N38 T41 L43 L79 C83L35-E37 PolarHBondContact O-N 2.87Å; L35-N38 HydrophobicContact CB-CB 3.96Å; L35-N38 PolarHBondContact O-N 2.92Å; L35-T41 HydrophobicContact CD1-CG2 4.11Å; L35-L43 HydrophobicContact CD1-CG 4.35Å; L35-L43 HydrophobicContact CD2-CD1 3.86Å; L35-L43 HydrophobicContact CD2-CG 4.28Å; L35-L43 HydrophobicContact CG-CG 4.49Å; L35-L79 HydrophobicContact CD2-CD1 3.98Å; L35-L79 HydrophobicContact CD2-CD2 4.44Å; L35-C83 CarbonylContact C-O 3.49Å; L35-C83 VanDerWaalsContact CA-O 3.28Å; L35-C83 WeakPolarHBondContact CA-O 3.16Å
36Y95.9Very high96.1Very high141 Ų14160.4 Ų60.455%0.55328%0.284SS*.THydrogen-bonded Turntrans-58.8132.6173.8-175.4-103.1000110.5N38 C83 T85Y36-N38 PolarHBondContact O-N 3.14Å; Y36-C83 PolarHBondContact N-O 2.81Å; Y36-T85 VanDerWaalsContact CA-OG1 3.27Å; Y36-T85 WeakPolarHBondContact CA-OG1 3.38Å; Y36-T85 PolarHBondContact N-OG1 3.34Å
37E94.2Very high96.2Very high162 Ų16252.7 Ų52.776%0.75725%0.248SC*.THydrogen-bonded Turntrans54.613.6-178.7-71.4175.7-171.700116.2L35L35-E37 PolarHBondContact O-N 2.87Å
38N92.4Very high96.2Very high51 Ų5153 Ų5327%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-125.7107.4177.5-177.7-15.6000110.5L35 Y36 H40 T41 R42L35-N38 HydrophobicContact CB-CB 3.96Å; L35-N38 PolarHBondContact O-N 2.92Å; Y36-N38 PolarHBondContact O-N 3.14Å; N38-H40 PolarHBondContact OD1-N 3.02Å; N38-T41 PolarHBondContact OD1-N 2.88Å; N38-R42 PolarHBondContact O-NH1 3.02Å
39T91.6Very high96.3Very high101 Ų10147.1 Ų47.162%0.6223%0.228SC*.EExtended strand (participates in β ladder)trans-93.3-12.9179.155.90000113.6
40H93.1Very high96.3Very high113 Ų11347.9 Ų47.952%0.52323%0.228SC..EExtended strand (participates in β ladder)trans-85.3-34.2-174.1-60.7-62.5000112.9N38 V66N38-H40 PolarHBondContact OD1-N 3.02Å; H40-V66 PolarHBondContact O-N 3.16Å
41T94.6Very high96.3Very high10 Ų1047.5 Ų47.56%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-112.4145.3-176.1-73.30000111.3L35 N38 E63 N64L35-T41 HydrophobicContact CD1-CG2 4.11Å; N38-T41 PolarHBondContact OD1-N 2.88Å; T41-E63 HydrophobicContact CG2-CG 3.26Å; T41-E63 WeakPolarHBondContact CG2-OE1 3.41Å; T41-E63 PolarHBondContact OG1-OE1 2.84Å; T41-N64 WeakPolarHBondContact CA-O 3.42Å
42R95.9Very high96.1Very high13 Ų1354.8 Ų54.85%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-127.8142.9169-57.4-66.2173.1-126.810.9109Q32 W34 N38 N64 V66Q32-R42 HydrophobicContact CG-CB 3.8Å; Q32-R42 HydrophobicContact CG-CG 4.31Å; W34-R42 VanDerWaalsContact CD1-CD 3.47Å; W34-R42 VanDerWaalsContact CD2-NH2 3.31Å; W34-R42 VanDerWaalsContact CZ3-NH2 3.28Å; N38-R42 PolarHBondContact O-NH1 3.02Å; R42-N64 PolarHBondContact N-O 2.9Å; R42-N64 PolarHBondContact O-N 3.13Å; R42-V66 HydrophobicContact CG-CG2 3.68Å
43L97.3Very high96Very high13 Ų1361.1 Ų61.17%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-95.8129.5170.4-66.1178.7000108.5Q32 I33 L35 L58 E62 E63 I74 I77 L79Q32-L43 CarbonylContact C-O 3.45Å; Q32-L43 WeakPolarHBondContact CA-O 3.39Å; I33-L43 HydrophobicContact CB-CB 4.39Å; I33-L43 PolarHBondContact N-O 2.83Å; I33-L43 PolarHBondContact O-N 2.87Å; L35-L43 HydrophobicContact CD1-CG 4.35Å; L35-L43 HydrophobicContact CD2-CD1 3.86Å; L35-L43 HydrophobicContact CD2-CG 4.28Å; L35-L43 HydrophobicContact CG-CG 4.49Å; L43-L58 HydrophobicContact CB-CD1 4.38Å; L43-E62 CarbonylContact C-O 3.5Å; L43-E62 WeakPolarHBondContact CA-O 3.47Å; L43-E63 HydrophobicContact CD2-CG 4.46Å; L43-I74 HydrophobicContact CD2-CD1 3.58Å; L43-I77 HydrophobicContact CD1-CD1 4.03Å; L43-L79 HydrophobicContact CD1-CD1 3.99Å; L43-L79 HydrophobicContact CD1-CD2 4.04Å
44E97.3Very high95.9Very high2 Ų264.2 Ų64.21%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-112.4145170.6-69.8179.9-153.300109.8R30 V31 Q32 A61 E62 N64 R71 V90R30-E44 IonicContact NE-OE2 3.76Å; R30-E44 PolarHBondContact NE-OE2 2.95Å; R30-E44 IonicContact NH2-OE2 3.51Å; V31-E44 CarbonylContact O-C 3.45Å; V31-E44 WeakPolarHBondContact O-CA 3.23Å; Q32-E44 HydrophobicContact CB-CG 4.17Å; Q32-E44 HydrophobicContact CG-CG 4.09Å; E44-A61 CarbonylContact O-C 3.5Å; E44-A61 WeakPolarHBondContact O-CA 3.49Å; E44-E62 PolarHBondContact N-O 2.92Å; E44-E62 PolarHBondContact O-N 2.95Å; E44-N64 PolarHBondContact OE1-ND2 3.32Å; E44-R71 IonicContact OE1-NH2 3.02Å; E44-R71 IonicContact OE2-CZ 2.82Å; E44-R71 IonicContact OE2-NH1 3.63Å; E44-R71 IonicContact OE2-NH2 3.66Å; E44-V90 HydrophobicContact CG-CG2 4.15Å
45G97.7Very high96Very high0 Ų061.7 Ų61.70%030%0.297CS..EExtended strand (participates in β ladder)trans172.7-171.2177.200000112.9R30 V31R30-G45 WeakPolarHBondContact CA-O 3.21Å; V31-G45 WeakPolarHBondContact CG2-O 3.15Å; V31-G45 PolarHBondContact N-O 2.69Å; V31-G45 PolarHBondContact O-N 3.32Å
46F98.2Very high96Very high29 Ų2960.1 Ų60.113%0.12729%0.289CS..EExtended strand (participates in β ladder)trans-107.4125.9176.1-59.1-76.3000110.6R28 R30 I48 L58 D59 E60R28-F46 HydrophobicContact CG-CB 4.31Å; R28-F46 HydrophobicContact CG-CD1 3.68Å; R28-F46 HydrophobicContact CG-CE1 4.18Å; R28-F46 HydrophobicContact CG-CG 4.06Å; R28-F46 WeakPolarHBondContact O-CD1 3.33Å; R28-F46 VanDerWaalsContact O-CE1 3.23Å; R28-F46 WeakPolarHBondContact O-CE1 3.33Å; R30-F46 HydrophobicContact CB-CD1 4.23Å; R30-F46 HydrophobicContact CB-CE1 3.69Å; R30-F46 HydrophobicContact CB-CZ 4.13Å; R30-F46 HydrophobicContact CG-CE1 4.33Å; R30-F46 HydrophobicContact CG-CZ 4.39Å; F46-I48 PolarHBondContact O-N 2.84Å; F46-L58 CarbonylContact O-C 3.52Å; F46-L58 WeakPolarHBondContact O-CA 3.35Å; F46-D59 PolarHBondContact N-O 3.14Å; F46-D59 PolarHBondContact O-N 3.4Å; F46-E60 HydrophobicContact CD2-CB 4.03Å; F46-E60 HydrophobicContact CD2-CG 4.41Å; F46-E60 HydrophobicContact CE2-CB 4.2Å; F46-E60 WeakPolarHBondContact CE2-OE2 3.32Å
47I98.3Very high96.1Very high3 Ų355.5 Ų55.52%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-69.5121.9173.1-59.4176.7000108.1I21 F24 L25 V31 F50 I56 L58 I87I21-I47 HydrophobicContact CG2-CD1 4.27Å; F24-I47 HydrophobicContact CB-CD1 4.26Å; L25-I47 HydrophobicContact CB-CG2 4.39Å; L25-I47 HydrophobicContact CD1-CG2 4.27Å; L25-I47 VanDerWaalsContact CD1-O 3.24Å; L25-I47 WeakPolarHBondContact CD1-O 3.32Å; V31-I47 HydrophobicContact CG1-CD1 4.12Å; V31-I47 HydrophobicContact CG1-CG1 4.44Å; V31-I47 HydrophobicContact CG2-CD1 4.01Å; V31-I47 HydrophobicContact CG2-CG1 3.73Å; I47-F50 HydrophobicContact CG2-CD1 4.39Å; I47-I56 HydrophobicContact CB-CG2 4.43Å; I47-I56 HydrophobicContact CD1-CD1 4.34Å; I47-I56 HydrophobicContact CG1-CG2 3.96Å; I47-I56 HydrophobicContact CG2-CG2 4.1Å; I47-L58 HydrophobicContact CG1-CD2 4.01Å; I47-I87 HydrophobicContact CD1-CG2 4.23Å
48I97.9Very high96.3Very high72 Ų7247.8 Ų47.837%0.36924%0.239SC..EExtended strand (participates in β ladder)trans-112.9-9.5174.561.3167.2000113.3L25 F46 V57 D59L25-I48 VanDerWaalsContact CD1-C 3.44Å; F46-I48 PolarHBondContact O-N 2.84Å; I48-V57 HydrophobicContact CD1-CB 4.36Å; I48-V57 HydrophobicContact CD1-CG1 3.59Å; I48-V57 HydrophobicContact CG1-CB 3.79Å; I48-V57 HydrophobicContact CG1-CG1 3.55Å; I48-V57 WeakPolarHBondContact CG1-O 3.41Å; I48-V57 PolarHBondContact N-O 3.04Å; I48-D59 HydrophobicContact CD1-CB 4.17Å; I48-D59 HydrophobicContact CG1-CB 4.44Å; I48-D59 HydrophobicContact CG2-CB 3.7Å
49G97.7Very high96.6Very high21 Ų2146.8 Ų46.822%0.21623%0.234CC..EExtended strand (participates in β ladder)trans-173.2153.217400000111.3V57G49-V57 PolarHBondContact O-N 3.23Å
50F97.1Very high96.9Very high53 Ų5346.4 Ų46.423%0.23223%0.225CC..EExtended strand (participates in β ladder)trans-149.8160.4171.566.9-86.2000110.8I21 F22 L25 I47 N55 I56I21-F50 HydrophobicContact CG2-CD1 3.72Å; I21-F50 HydrophobicContact CG2-CD2 4.48Å; I21-F50 HydrophobicContact CG2-CE1 3.67Å; I21-F50 HydrophobicContact CG2-CE2 4.43Å; I21-F50 HydrophobicContact CG2-CG 4.13Å; I21-F50 HydrophobicContact CG2-CZ 4.03Å; F22-F50 AromaticContact CD1-CE1 3.92Å; F22-F50 HydrophobicContact CD1-CE1 3.92Å; F22-F50 AromaticContact CD1-CZ 3.69Å; F22-F50 HydrophobicContact CD1-CZ 3.69Å; F22-F50 HydrophobicContact CD2-CZ 4.33Å; F22-F50 AromaticContact CE1-CE1 3.94Å; F22-F50 HydrophobicContact CE1-CE1 3.94Å; F22-F50 HydrophobicContact CE1-CE2 4.45Å; F22-F50 AromaticContact CE1-CZ 3.43Å; F22-F50 HydrophobicContact CE1-CZ 3.43Å; F22-F50 VanDerWaalsContact CE1-CZ 3.43Å; F22-F50 HydrophobicContact CE2-CZ 4.12Å; F22-F50 HydrophobicContact CG-CZ 4.12Å; F22-F50 HydrophobicContact CZ-CE2 4.34Å; F22-F50 AromaticContact CZ-CZ 3.66Å; F22-F50 HydrophobicContact CZ-CZ 3.66Å; L25-F50 HydrophobicContact CD2-CD1 4.26Å; L25-F50 HydrophobicContact CD2-CE1 3.9Å; I47-F50 HydrophobicContact CG2-CD1 4.39Å; F50-N55 WeakPolarHBondContact CA-O 3.37Å; F50-N55 WeakPolarHBondContact CB-O 3.32Å; F50-I56 HydrophobicContact CB-CG1 4.16Å
51D96.6Very high97.1Very high52 Ų5241 Ų4128%0.27820%0.2SC..  trans-121.7-176.7179.570.312.4000112.6Y53 M54 N55D51-Y53 PolarHBondContact O-N 2.89Å; D51-Y53 WeakPolarHBondContact OD1-CA 3.36Å; D51-Y53 PolarHBondContact OD1-N 3.03Å; D51-M54 PolarHBondContact O-N 3.41Å; D51-M54 VanDerWaalsContact O-N 3.08Å; D51-M54 PolarHBondContact OD1-N 3.19Å; D51-N55 PolarHBondContact N-O 3.41Å; D51-N55 PolarHBondContact OD1-N 2.91Å; D51-N55 PolarHBondContact OD1-ND2 2.92Å; D51-N55 WeakPolarHBondContact OD2-CB 3.24Å; D51-N55 PolarHBondContact OD2-ND2 3.09Å
52E95.3Very high97.2Very high153 Ų15342.6 Ų42.672%0.71521%0.207SC*.THydrogen-bonded Turntrans-67.1-19.7179.167.6-84.6-164.900114.4M54E52-M54 VanDerWaalsContact C-N 3.28Å
53Y95.1Very high97.2Very high168 Ų16845.1 Ų45.166%0.65922%0.219SC*.THydrogen-bonded Turntrans-91.25.8174-58-74.1000112.1D51 N55 G81D51-Y53 PolarHBondContact O-N 2.89Å; D51-Y53 WeakPolarHBondContact OD1-CA 3.36Å; D51-Y53 PolarHBondContact OD1-N 3.03Å; Y53-N55 PolarHBondContact O-N 3.32Å; Y53-G81 WeakPolarHBondContact O-CA 3.46Å
54M95.4Very high97.1Very high66 Ų6645.3 Ų45.333%0.32522%0.22SC..  trans61.624.4-177.5-54.8-67-6300113.3I21 D51 E52 I56 G81 I84I21-M54 HydrophobicContact CD1-CE 3.3Å; D51-M54 PolarHBondContact O-N 3.41Å; D51-M54 VanDerWaalsContact O-N 3.08Å; D51-M54 PolarHBondContact OD1-N 3.19Å; E52-M54 VanDerWaalsContact C-N 3.28Å; M54-I56 PolarHBondContact O-N 2.89Å; M54-G81 VanDerWaalsContact O-CA 3.26Å; M54-G81 WeakPolarHBondContact O-CA 3.26Å; M54-I84 WeakPolarHBondContact O-CD1 3.14Å
55N97.2Very high96.8Very high39 Ų3946.5 Ų46.521%0.20923%0.228CC..  trans-66.4135.4165.4-56.3-50.8000107.8F50 D51 Y53 L78 L79 K80 G81F50-N55 WeakPolarHBondContact CA-O 3.37Å; F50-N55 WeakPolarHBondContact CB-O 3.32Å; D51-N55 PolarHBondContact N-O 3.41Å; D51-N55 PolarHBondContact OD1-N 2.91Å; D51-N55 PolarHBondContact OD1-ND2 2.92Å; D51-N55 WeakPolarHBondContact OD2-CB 3.24Å; D51-N55 PolarHBondContact OD2-ND2 3.09Å; Y53-N55 PolarHBondContact O-N 3.32Å; N55-L78 HydrophobicContact CB-CD1 4.14Å; N55-L79 CarbonylContact C-O 3.6Å; N55-L79 VanDerWaalsContact CA-O 3.26Å; N55-L79 WeakPolarHBondContact CA-O 3.26Å; N55-K80 VanDerWaalsContact OD1-CA 3.26Å; N55-K80 WeakPolarHBondContact OD1-CA 3.26Å; N55-G81 PolarHBondContact OD1-N 2.97Å
56I98Very high96.2Very high0 Ų050.5 Ų50.50%025%0.253CS..EExtended strand (participates in β ladder)trans-122.3129.2-174.8-64.6-174.4000109.5I33 I47 F50 M54 L58 L79 I84 I87I33-I56 HydrophobicContact CD1-CD1 4.16Å; I47-I56 HydrophobicContact CB-CG2 4.43Å; I47-I56 HydrophobicContact CD1-CD1 4.34Å; I47-I56 HydrophobicContact CG1-CG2 3.96Å; I47-I56 HydrophobicContact CG2-CG2 4.1Å; F50-I56 HydrophobicContact CB-CG1 4.16Å; M54-I56 PolarHBondContact O-N 2.89Å; I56-L58 HydrophobicContact CG2-CD2 3.71Å; I56-L58 HydrophobicContact CG2-CG 3.97Å; I56-L79 PolarHBondContact N-O 3.29Å; I56-L79 PolarHBondContact O-N 3.27Å; I56-I84 HydrophobicContact CB-CD1 4.41Å; I56-I84 HydrophobicContact CD1-CD1 3.65Å; I56-I84 HydrophobicContact CG1-CD1 3.87Å; I56-I87 HydrophobicContact CD1-CD1 3.45Å; I56-I87 VanDerWaalsContact CD1-CD1 3.45Å; I56-I87 HydrophobicContact CD1-CG1 4.4Å
57V98.3Very high95.8Very high45 Ų4554 Ų5427%0.27328%0.276SS..EExtended strand (participates in β ladder)trans-88.8117.1165.1-170.60000108.1I48 G49 R76 I77 L78I48-V57 HydrophobicContact CD1-CB 4.36Å; I48-V57 HydrophobicContact CD1-CG1 3.59Å; I48-V57 HydrophobicContact CG1-CB 3.79Å; I48-V57 HydrophobicContact CG1-CG1 3.55Å; I48-V57 WeakPolarHBondContact CG1-O 3.41Å; I48-V57 PolarHBondContact N-O 3.04Å; G49-V57 PolarHBondContact O-N 3.23Å; V57-R76 HydrophobicContact CG1-CG 4.24Å; V57-I77 WeakPolarHBondContact CA-O 3.05Å; V57-L78 HydrophobicContact CG2-CD1 3.98Å
58L98.2Very high95.3Very high0 Ų060.7 Ų60.70%031%0.306CS..EExtended strand (participates in β ladder)trans-100.6134.6173.4-65.8176000110.2V31 I33 L43 F46 I47 I56 A61 R76 I77V31-L58 HydrophobicContact CG2-CD2 4.22Å; I33-L58 HydrophobicContact CD1-CD1 4.02Å; I33-L58 HydrophobicContact CD1-CD2 4.06Å; I33-L58 HydrophobicContact CD1-CG 4.43Å; L43-L58 HydrophobicContact CB-CD1 4.38Å; F46-L58 CarbonylContact O-C 3.52Å; F46-L58 WeakPolarHBondContact O-CA 3.35Å; I47-L58 HydrophobicContact CG1-CD2 4.01Å; I56-L58 HydrophobicContact CG2-CD2 3.71Å; I56-L58 HydrophobicContact CG2-CG 3.97Å; L58-A61 HydrophobicContact CB-CB 4.01Å; L58-A61 HydrophobicContact CD1-CB 4.42Å; L58-R76 WeakPolarHBondContact O-CA 3.42Å; L58-I77 HydrophobicContact CB-CG1 4Å; L58-I77 HydrophobicContact CD1-CD1 4.27Å; L58-I77 HydrophobicContact CD1-CG1 4.4Å; L58-I77 PolarHBondContact N-O 3.49Å; L58-I77 PolarHBondContact O-N 2.94Å
59D98.1Very high94.7Very high30 Ų3063.5 Ų63.516%0.1632%0.321CS..EExtended strand (participates in β ladder)trans-103.7152167.6-147.622.3000110.7F46 I48 A61 R76F46-D59 PolarHBondContact N-O 3.14Å; F46-D59 PolarHBondContact O-N 3.4Å; I48-D59 HydrophobicContact CD1-CB 4.17Å; I48-D59 HydrophobicContact CG1-CB 4.44Å; I48-D59 HydrophobicContact CG2-CB 3.7Å; D59-A61 PolarHBondContact O-N 2.91Å; D59-R76 IonicContact OD1-CZ 3.6Å; D59-R76 IonicContact OD1-NE 3.71Å; D59-R76 PolarHBondContact OD1-NE 3.12Å; D59-R76 IonicContact OD1-NH2 3.66Å; D59-R76 PolarHBondContact OD1-NH2 3.32Å; D59-R76 IonicContact OD2-CZ 2.93Å; D59-R76 IonicContact OD2-NH2 3.5Å; D59-R76 PolarHBondContact OD2-NH2 2.83Å
60E97.4Very high94.4Very high92 Ų9267.7 Ų67.743%0.4334%0.336SS..EExtended strand (participates in β ladder)trans48.140-174.9-58.2174-141.800112.9R28 F46R28-E60 IonicContact NH2-OE1 2.87Å; R28-E60 PolarHBondContact NH2-OE1 2.94Å; F46-E60 HydrophobicContact CD2-CB 4.03Å; F46-E60 HydrophobicContact CD2-CG 4.41Å; F46-E60 HydrophobicContact CE2-CB 4.2Å; F46-E60 WeakPolarHBondContact CE2-OE2 3.32Å
61A97.9Very high94.3Very high1 Ų171.6 Ų71.61%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-68.7138.6-175.300000111.4E44 L58 D59 I74 G75 I77E44-A61 CarbonylContact O-C 3.5Å; E44-A61 WeakPolarHBondContact O-CA 3.49Å; L58-A61 HydrophobicContact CB-CB 4.01Å; L58-A61 HydrophobicContact CD1-CB 4.42Å; D59-A61 PolarHBondContact O-N 2.91Å; A61-I74 HydrophobicContact CB-CB 4.39Å; A61-I74 WeakPolarHBondContact O-CA 3.23Å; A61-I74 PolarHBondContact O-N 3.21Å; A61-G75 WeakPolarHBondContact CA-O 3.49Å; A61-G75 WeakPolarHBondContact CB-O 3.41Å; A61-G75 PolarHBondContact N-O 2.93Å; A61-G75 PolarHBondContact O-N 2.8Å; A61-G75 VanDerWaalsContact O-N 3.14Å; A61-I77 HydrophobicContact CB-CD1 3.9Å; A61-I77 HydrophobicContact CB-CG1 3.86Å
62E97.3Very high94.2Very high43 Ų4377.3 Ų77.320%0.20137%0.367CS..EExtended strand (participates in β ladder)trans-127.2138175-74.1171.9-141.600110.1R30 L43 E44 R72R30-E62 IonicContact CZ-OE1 3.86Å; R30-E62 IonicContact NH1-OE1 3.38Å; R30-E62 IonicContact NH2-OE1 2.82Å; R30-E62 PolarHBondContact NH2-OE1 3.33Å; R30-E62 IonicContact NH2-OE2 2.88Å; R30-E62 PolarHBondContact NH2-OE2 3.47Å; L43-E62 CarbonylContact C-O 3.5Å; L43-E62 WeakPolarHBondContact CA-O 3.47Å; E44-E62 PolarHBondContact N-O 2.92Å; E44-E62 PolarHBondContact O-N 2.95Å; E62-R72 CarbonylContact C-O 3.52Å; E62-R72 VanDerWaalsContact CA-O 3.27Å; E62-R72 WeakPolarHBondContact CA-O 3.35Å
63E96Very high94.3Very high65 Ų6575 Ų7530%0.30437%0.366SS..EExtended strand (participates in β ladder)trans-84.1119166.3-162.2-177176.900109.1T41 L43 R71 R72 I74T41-E63 HydrophobicContact CG2-CG 3.26Å; T41-E63 WeakPolarHBondContact CG2-OE1 3.41Å; T41-E63 PolarHBondContact OG1-OE1 2.84Å; L43-E63 HydrophobicContact CD2-CG 4.46Å; E63-R71 CarbonylContact O-C 3.57Å; E63-R71 VanDerWaalsContact O-CA 3.27Å; E63-R71 WeakPolarHBondContact O-CA 3.28Å; E63-R72 HydrophobicContact CB-CB 4.3Å; E63-R72 PolarHBondContact N-O 3.34Å; E63-R72 PolarHBondContact O-N 3.01Å; E63-I74 HydrophobicContact CB-CD1 3.99Å; E63-I74 HydrophobicContact CB-CG1 4.34Å
64N93.9Very high94.4Very high18 Ų1870.5 Ų70.510%0.09635%0.352CS..EExtended strand (participates in β ladder)trans-106.3113.1174.5-176.74.7000109.9T41 R42 E44 R71T41-N64 WeakPolarHBondContact CA-O 3.42Å; R42-N64 PolarHBondContact N-O 2.9Å; R42-N64 PolarHBondContact O-N 3.13Å; E44-N64 PolarHBondContact OE1-ND2 3.32Å; N64-R71 HydrophobicContact CB-CG 4.44Å
65C91Very high94.5Very high26 Ų2668.9 Ų68.918%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-89.2106.1177.5-158.80000109.5T67 K68 N69 M70C65-T67 VanDerWaalsContact C-N 3.29Å; C65-T67 PolarHBondContact O-N 3.05Å; C65-K68 PolarHBondContact O-N 3.31Å; C65-N69 WeakPolarHBondContact O-CA 3.27Å; C65-N69 PolarHBondContact O-N 3.24Å; C65-M70 PolarHBondContact N-O 3.38Å
66V86Confident94.6Very high84 Ų8474.8 Ų74.851%0.50937%0.371SS..THydrogen-bonded Turntrans-59.7-37.8-168.5-178.80000112.2H40 R42H40-V66 PolarHBondContact O-N 3.16Å; R42-V66 HydrophobicContact CG-CG2 3.68Å
67T88.4Confident94.6Very high102 Ų10276.7 Ų76.763%0.62638%0.381SS*.THydrogen-bonded Turntrans-78.7-33.7-176.554.40000113.3C65C65-T67 VanDerWaalsContact C-N 3.29Å; C65-T67 PolarHBondContact O-N 3.05Å
68K88.2Confident94.6Very high145 Ų14580.3 Ų80.363%0.6340%0.399SS*.THydrogen-bonded Turntrans-98.6-6.9-176.2-64.2-177.3178.41790113.1C65 M70C65-K68 PolarHBondContact O-N 3.31Å; K68-M70 HydrophobicContact CB-CB 4.41Å; K68-M70 HydrophobicContact CB-CE 3.99Å; K68-M70 HydrophobicContact CB-CG 3.91Å; K68-M70 HydrophobicContact CB-SD 4.38Å; K68-M70 HydrophobicContact CD-CE 3.58Å; K68-M70 HydrophobicContact CG-CE 4.44Å; K68-M70 PolarHBondContact O-N 3.04Å; K68-M70 VanDerWaalsContact O-N 3.15Å
69N85.8Confident94.5Very high131 Ų13181 Ų8170%0.70140%0.402SS*.THydrogen-bonded Turntrans48.138.5-172.1-164.133.3000112.4C65C65-N69 WeakPolarHBondContact O-CA 3.27Å; C65-N69 PolarHBondContact O-N 3.24Å
70M91.7Very high94.5Very high108 Ų10885.9 Ų85.953%0.53242%0.422SS..EExtended strand (participates in β ladder)trans-102.7132178.2-68.4-169.2-45.900109.1C65 K68C65-M70 PolarHBondContact N-O 3.38Å; K68-M70 HydrophobicContact CB-CB 4.41Å; K68-M70 HydrophobicContact CB-CE 3.99Å; K68-M70 HydrophobicContact CB-CG 3.91Å; K68-M70 HydrophobicContact CB-SD 4.38Å; K68-M70 HydrophobicContact CD-CE 3.58Å; K68-M70 HydrophobicContact CG-CE 4.44Å; K68-M70 PolarHBondContact O-N 3.04Å; K68-M70 VanDerWaalsContact O-N 3.15Å
71R94Very high94.5Very high135 Ų13582.1 Ų82.151%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-110.2129.6173.5-64.3-175.3177.9-158.8-6109.9E44 E63 N64E44-R71 IonicContact OE1-NH2 3.02Å; E44-R71 IonicContact OE2-CZ 2.82Å; E44-R71 IonicContact OE2-NH1 3.63Å; E44-R71 IonicContact OE2-NH2 3.66Å; E63-R71 CarbonylContact O-C 3.57Å; E63-R71 VanDerWaalsContact O-CA 3.27Å; E63-R71 WeakPolarHBondContact O-CA 3.28Å; N64-R71 HydrophobicContact CB-CG 4.44Å
72R96Very high94.5Very high172 Ų17287.6 Ų87.665%0.64944%0.437SS*.EExtended strand (participates in β ladder)trans-121.5122177.8-178-177178.3-177.31.9109.9E62 E63E62-R72 CarbonylContact C-O 3.52Å; E62-R72 VanDerWaalsContact CA-O 3.27Å; E62-R72 WeakPolarHBondContact CA-O 3.35Å; E63-R72 HydrophobicContact CB-CB 4.3Å; E63-R72 PolarHBondContact N-O 3.34Å; E63-R72 PolarHBondContact O-N 3.01Å
73P97.3Very high94.4Very high105 Ų10588 Ų8868%0.68244%0.444SS*.EExtended strand (participates in β ladder)trans-67.6136.4174.129-34000110.6
74I97Very high94.4Very high74 Ų7486.4 Ų86.438%0.37944%0.438SS..EExtended strand (participates in β ladder)trans-112.9-34.8175.7-46.1175000110.1L43 A61 E63 I77L43-I74 HydrophobicContact CD2-CD1 3.58Å; A61-I74 HydrophobicContact CB-CB 4.39Å; A61-I74 WeakPolarHBondContact O-CA 3.23Å; A61-I74 PolarHBondContact O-N 3.21Å; E63-I74 HydrophobicContact CB-CD1 3.99Å; E63-I74 HydrophobicContact CB-CG1 4.34Å; I74-I77 HydrophobicContact CB-CG2 4.36Å; I74-I77 HydrophobicContact CD1-CD1 4.4Å; I74-I77 HydrophobicContact CG2-CG2 3.44Å; I74-I77 VanDerWaalsContact CG2-CG2 3.44Å
75G97.6Very high94.5Very high31 Ų3189.6 Ų89.632%0.3246%0.458SS..EExtended strand (participates in β ladder)trans92.3-137-17700000111.7A61A61-G75 WeakPolarHBondContact CA-O 3.49Å; A61-G75 WeakPolarHBondContact CB-O 3.41Å; A61-G75 PolarHBondContact N-O 2.93Å; A61-G75 PolarHBondContact O-N 2.8Å; A61-G75 VanDerWaalsContact O-N 3.14Å
76R98.2Very high94.8Very high163 Ų16391.9 Ų91.962%0.61547%0.468SS*.EExtended strand (participates in β ladder)trans-91.2124.3-178.2-174.2171-66.8-176.3-2.9111.1V57 L58 D59V57-R76 HydrophobicContact CG1-CG 4.24Å; L58-R76 WeakPolarHBondContact O-CA 3.42Å; D59-R76 IonicContact OD1-CZ 3.6Å; D59-R76 IonicContact OD1-NE 3.71Å; D59-R76 PolarHBondContact OD1-NE 3.12Å; D59-R76 IonicContact OD1-NH2 3.66Å; D59-R76 PolarHBondContact OD1-NH2 3.32Å; D59-R76 IonicContact OD2-CZ 2.93Å; D59-R76 IonicContact OD2-NH2 3.5Å; D59-R76 PolarHBondContact OD2-NH2 2.83Å
77I98.1Very high95.3Very high41 Ų4189.2 Ų89.221%0.2145%0.45CS..EExtended strand (participates in β ladder)trans-134.6153-178.162.4173.1000112.4L43 V57 L58 A61 I74L43-I77 HydrophobicContact CD1-CD1 4.03Å; V57-I77 WeakPolarHBondContact CA-O 3.05Å; L58-I77 HydrophobicContact CB-CG1 4Å; L58-I77 HydrophobicContact CD1-CD1 4.27Å; L58-I77 HydrophobicContact CD1-CG1 4.4Å; L58-I77 PolarHBondContact N-O 3.49Å; L58-I77 PolarHBondContact O-N 2.94Å; A61-I77 HydrophobicContact CB-CD1 3.9Å; A61-I77 HydrophobicContact CB-CG1 3.86Å; I74-I77 HydrophobicContact CB-CG2 4.36Å; I74-I77 HydrophobicContact CD1-CD1 4.4Å; I74-I77 HydrophobicContact CG2-CG2 3.44Å; I74-I77 VanDerWaalsContact CG2-CG2 3.44Å
78L98.1Very high95.6Very high121 Ų12187.4 Ų87.463%0.63444%0.435SS*.EExtended strand (participates in β ladder)trans-98.2118.2163.817866.7000108.5N55 V57N55-L78 HydrophobicContact CB-CD1 4.14Å; V57-L78 HydrophobicContact CG2-CD1 3.98Å
79L97.5Very high96Very high15 Ų1581.9 Ų81.98%0.07942%0.416CS..EExtended strand (participates in β ladder)trans-99125.8172.8-177.862.1000109I33 L35 L43 N55 I56 C83 I84I33-L79 HydrophobicContact CB-CD2 4.38Å; I33-L79 HydrophobicContact CD1-CD2 3.84Å; I33-L79 HydrophobicContact CG2-CD2 3.71Å; L35-L79 HydrophobicContact CD2-CD1 3.98Å; L35-L79 HydrophobicContact CD2-CD2 4.44Å; L43-L79 HydrophobicContact CD1-CD1 3.99Å; L43-L79 HydrophobicContact CD1-CD2 4.04Å; N55-L79 CarbonylContact C-O 3.6Å; N55-L79 VanDerWaalsContact CA-O 3.26Å; N55-L79 WeakPolarHBondContact CA-O 3.26Å; I56-L79 PolarHBondContact N-O 3.29Å; I56-L79 PolarHBondContact O-N 3.27Å; L79-C83 HydrophobicContact CD1-CB 4.01Å; L79-I84 HydrophobicContact CD2-CD1 3.88Å; L79-I84 HydrophobicContact CD2-CG1 3.62Å; L79-I84 HydrophobicContact CG-CD1 4.16Å; L79-I84 HydrophobicContact CG-CG1 3.93Å
80K97.6Very high96.4Very high131 Ų13177.5 Ų77.557%0.5739%0.394SS*.PPolyproline II helixtrans-73.6143176.8-66.8-176.1176.8-177.70111.2N55 D82 C83N55-K80 VanDerWaalsContact OD1-CA 3.26Å; N55-K80 WeakPolarHBondContact OD1-CA 3.26Å; K80-D82 VanDerWaalsContact C-N 3.28Å; K80-D82 WeakPolarHBondContact CB-OD1 3.5Å; K80-D82 PolarHBondContact O-N 2.88Å; K80-C83 WeakPolarHBondContact O-CB 3.49Å; K80-C83 PolarHBondContact O-N 3.02Å; K80-C83 VanDerWaalsContact O-N 3.12Å
81G97.1Very high95.8Very high14 Ų1479 Ų7914%0.14441%0.405CS..G310 helixtrans-63.5-30.1-176.200000114.4Y53 M54 N55 C83 I84Y53-G81 WeakPolarHBondContact O-CA 3.46Å; M54-G81 VanDerWaalsContact O-CA 3.26Å; M54-G81 WeakPolarHBondContact O-CA 3.26Å; N55-G81 PolarHBondContact OD1-N 2.97Å; G81-C83 PolarHBondContact O-N 3.08Å; G81-I84 PolarHBondContact O-N 3.28Å; G81-I84 VanDerWaalsContact O-N 3.13Å
82D96.8Very high93.8Very high116 Ų11685.2 Ų85.262%0.6244%0.439SS*.G310 helixtrans-63.4-24.2175.460.1-2.4000113.4K80K80-D82 VanDerWaalsContact C-N 3.28Å; K80-D82 WeakPolarHBondContact CB-OD1 3.5Å; K80-D82 PolarHBondContact O-N 2.88Å
83C95.5Very high93.7Very high51 Ų5180.9 Ų80.935%0.34543%0.429SS..G310 helixtrans-86.1-5.4178.6-62.80000112.7L35 Y36 L79 K80 G81L35-C83 CarbonylContact C-O 3.49Å; L35-C83 VanDerWaalsContact CA-O 3.28Å; L35-C83 WeakPolarHBondContact CA-O 3.16Å; Y36-C83 PolarHBondContact N-O 2.81Å; L79-C83 HydrophobicContact CD1-CB 4.01Å; K80-C83 WeakPolarHBondContact O-CB 3.49Å; K80-C83 PolarHBondContact O-N 3.02Å; K80-C83 VanDerWaalsContact O-N 3.12Å; G81-C83 PolarHBondContact O-N 3.08Å
84I96.9Very high93.5Very high32 Ų3279.6 Ų79.616%0.16442%0.415CS..EExtended strand (participates in β ladder)trans-97.4125.5-172.7-59.7178.7000110.9I33 M54 I56 L79 G81 I87I33-I84 HydrophobicContact CG2-CG1 4.18Å; I33-I84 HydrophobicContact CG2-CG2 4.03Å; M54-I84 WeakPolarHBondContact O-CD1 3.14Å; I56-I84 HydrophobicContact CB-CD1 4.41Å; I56-I84 HydrophobicContact CD1-CD1 3.65Å; I56-I84 HydrophobicContact CG1-CD1 3.87Å; L79-I84 HydrophobicContact CD2-CD1 3.88Å; L79-I84 HydrophobicContact CD2-CG1 3.62Å; L79-I84 HydrophobicContact CG-CD1 4.16Å; L79-I84 HydrophobicContact CG-CG1 3.93Å; G81-I84 PolarHBondContact O-N 3.28Å; G81-I84 VanDerWaalsContact O-N 3.13Å; I84-I87 HydrophobicContact CG2-CD1 4.2Å; I84-I87 HydrophobicContact CG2-CG1 3.82Å
85T96.4Very high93.3Very high84 Ų8479.9 Ų79.952%0.51542%0.417SS..EExtended strand (participates in β ladder)trans-105.2-42.3174-59.70000113W34 Y36W34-T85 PolarHBondContact O-N 3.46Å; Y36-T85 VanDerWaalsContact CA-OG1 3.27Å; Y36-T85 WeakPolarHBondContact CA-OG1 3.38Å; Y36-T85 PolarHBondContact N-OG1 3.34Å
86L95.8Very high93.1Very high75 Ų7582.8 Ų82.839%0.39342%0.423SS..EExtended strand (participates in β ladder)trans-147.9139.1-178.4176.969000109.6I33 W34I33-L86 WeakPolarHBondContact CA-O 3.36Å; W34-L86 HydrophobicContact CB-CB 3.92Å; W34-L86 HydrophobicContact CD2-CB 4.43Å; W34-L86 HydrophobicContact CD2-CD2 4.12Å; W34-L86 HydrophobicContact CG-CB 3.95Å; W34-L86 HydrophobicContact CG-CD2 4.24Å; W34-L86 PolarHBondContact N-O 3.26Å
87I96.6Very high92.8Very high28 Ų2877.8 Ų77.814%0.14441%0.411CS..EExtended strand (participates in β ladder)trans-116.8125.2168.5-53.8169.5000107.1I21 F24 V31 I33 I47 I56 I84I21-I87 HydrophobicContact CD1-CD1 4.06Å; I21-I87 HydrophobicContact CG1-CD1 4.39Å; F24-I87 HydrophobicContact CD2-CG2 4.09Å; F24-I87 HydrophobicContact CE2-CG2 4.05Å; V31-I87 HydrophobicContact CB-CG2 4.15Å; V31-I87 HydrophobicContact CG1-CG2 4.2Å; V31-I87 HydrophobicContact CG2-CG2 4.5Å; I33-I87 HydrophobicContact CD1-CG1 4.5Å; I33-I87 HydrophobicContact CG1-CG1 4.33Å; I47-I87 HydrophobicContact CD1-CG2 4.23Å; I56-I87 HydrophobicContact CD1-CD1 3.45Å; I56-I87 VanDerWaalsContact CD1-CD1 3.45Å; I56-I87 HydrophobicContact CD1-CG1 4.4Å; I84-I87 HydrophobicContact CG2-CD1 4.2Å; I84-I87 HydrophobicContact CG2-CG1 3.82Å
88Q95.7Very high92.4Very high63 Ų6380.2 Ų80.229%0.29442%0.424SS..EExtended strand (participates in β ladder)trans-137.1155.9175.167.8-176.3-51.800110.7V31 Q32V31-Q88 CarbonylContact C-O 3.55Å; V31-Q88 WeakPolarHBondContact CA-O 3.46Å; V31-Q88 WeakPolarHBondContact CB-O 3.2Å; Q32-Q88 HydrophobicContact CB-CG 4.03Å; Q32-Q88 PolarHBondContact N-O 3.21Å; Q32-Q88 PolarHBondContact O-N 2.97Å
89A96.3Very high92Very high29 Ų2977.3 Ų77.324%0.2441%0.409CS..EExtended strand (participates in β ladder)trans-66141.116600000109.3F24 T29 N91F24-A89 HydrophobicContact CE1-CB 3.93Å; F24-A89 HydrophobicContact CZ-CB 4.21Å; T29-A89 HydrophobicContact CG2-CB 3.92Å; A89-N91 PolarHBondContact O-N 2.77Å
90V94Very high91.6Very high40 Ų4082.1 Ų82.124%0.24244%0.435CS..  trans-69113.7164.7-1780000106.4R30 Q32 E44 Q92R30-V90 HydrophobicContact CG-CG2 4.11Å; R30-V90 PolarHBondContact O-N 3.4Å; Q32-V90 HydrophobicContact CB-CG2 4Å; E44-V90 HydrophobicContact CG-CG2 4.15Å; V90-Q92 PolarHBondContact O-N 2.94Å
91N79.8Confident91.1Very high140 Ų14078 Ų7875%0.74942%0.424SS*.  trans-67.8119.2169.2-63.9-34.7000107.3A89A89-N91 PolarHBondContact O-N 2.77Å
92Q52.2Low90.6Very high264 Ų26483.8 Ų83.8100%1.23445%0.449SS*.  trans-75.90159.8-70.9-178.315.400109.3V90V90-Q92 PolarHBondContact O-N 2.94Å

Retrieved 92 of 92 residues in 44.1 ms (Link to these results)

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