A0A077Z6V7_TRITR Loading...

DUF290 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6V7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 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
1M86.6Confident78.2Confident13 Ų1363.4 Ų63.46%0.06435%0.347CS..  0125.40-59.7-63.6-70.300109.4Q8 L11 T33 G37 F39 I57 I92 M95 L97M1-Q8 PolarHBondContact O-N 3.48Å; M1-L11 HydrophobicContact CB-CD2 3.98Å; M1-L11 HydrophobicContact CE-CD2 3.79Å; M1-L11 HydrophobicContact CG-CD2 3.54Å; M1-L11 HydrophobicContact SD-CD2 4.4Å; M1-T33 HydrophobicContact CB-CG2 4.3Å; M1-T33 HydrophobicContact CG-CG2 4.1Å; M1-G37 PolarHBondContact N-O 3.2Å; M1-F39 HydrophobicContact CG-CD1 4.05Å; M1-F39 HydrophobicContact CG-CE1 3.88Å; M1-F39 HydrophobicContact SD-CE1 4.02Å; M1-I57 HydrophobicContact CE-CD1 3.76Å; M1-I57 HydrophobicContact CE-CG2 4.04Å; M1-I92 HydrophobicContact SD-CD1 4.33Å; M1-M95 HydrophobicContact CE-CB 3.74Å; M1-M95 HydrophobicContact CE-CG 4.31Å; M1-M95 HydrophobicContact SD-CB 3.64Å; M1-M95 HydrophobicContact SD-CG 3.97Å; M1-L97 HydrophobicContact CB-CD1 4.21Å; M1-L97 HydrophobicContact CE-CD1 4.33Å; M1-L97 HydrophobicContact CE-CD2 3.3Å; M1-L97 HydrophobicContact CE-CG 3.88Å
2L87.8Confident77.6Confident40 Ų4063.4 Ų63.421%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-122.5147.5-173.2-59.2173.9000110.9I6 V94 M95 N96 L97L2-I6 CarbonylContact C-O 3.54Å; L2-I6 WeakPolarHBondContact CA-O 3.42Å; L2-V94 HydrophobicContact CD1-CG1 3.62Å; L2-V94 HydrophobicContact CG-CG1 3.95Å; L2-M95 PolarHBondContact N-O 2.88Å; L2-N96 CarbonylContact O-C 3.59Å; L2-N96 WeakPolarHBondContact O-CA 3.28Å; L2-N96 PolarHBondContact O-OD1 2.82Å; L2-L97 WeakPolarHBondContact O-CB 3.46Å; L2-L97 PolarHBondContact O-N 3.06Å
3C89.6Confident77.1Confident11 Ų1158.5 Ų58.57%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-129.6118.2164.7-176.50000107L5 I6 Q8 C61 H62C3-L5 PolarHBondContact O-N 3.08Å; C3-I6 PolarHBondContact N-O 2.85Å; C3-I6 WeakPolarHBondContact O-CA 3.26Å; C3-I6 WeakPolarHBondContact O-CB 2.91Å; C3-I6 PolarHBondContact O-N 3.45Å; C3-Q8 VanDerWaalsContact CB-CD 3.47Å; C3-Q8 HydrophobicContact CB-CG 3.57Å; C3-C61 HydrophobicContact CB-CB 3.76Å; C3-C61 WeakPolarHBondContact CB-SG 3.41Å; C3-C61 VanDerWaalsContact SG-CA 3.51Å; C3-C61 WeakPolarHBondContact SG-CB 3.37Å; C3-C61 CovalentContact SG-SG 2.03Å; C3-C61 PolarHBondContact SG-SG 3.47Å; C3-H62 VanDerWaalsContact SG-CD2 3.6Å
4S86.7Confident77Confident52 Ų5257.6 Ų57.636%0.36430%0.303SS..THydrogen-bonded Turntrans49.542.7-172.4-56.50000113.8I6 H62 E98S4-I6 PolarHBondContact O-N 2.56Å; S4-H62 PolarHBondContact OG-NE2 3.13Å; S4-E98 WeakPolarHBondContact CA-OE1 3.16Å; S4-E98 VanDerWaalsContact CB-OE1 3.26Å; S4-E98 WeakPolarHBondContact CB-OE1 2.7Å; S4-E98 PolarHBondContact N-OE1 2.9Å; S4-E98 PolarHBondContact OG-OE1 2.85Å
5L80Confident76.7Confident149 Ų14955.2 Ų55.278%0.7829%0.291SS*.THydrogen-bonded Turntrans65.410.2-176.3-52.1171.1000115C3C3-L5 PolarHBondContact O-N 3.08Å
6I80.2Confident76.5Confident111 Ų11151.8 Ų51.857%0.56927%0.272SS*.EExtended strand (participates in β ladder)trans-101.3124.1175-56.6171.2000108.9L2 C3 S4 Q8L2-I6 CarbonylContact C-O 3.54Å; L2-I6 WeakPolarHBondContact CA-O 3.42Å; C3-I6 PolarHBondContact N-O 2.85Å; C3-I6 WeakPolarHBondContact O-CA 3.26Å; C3-I6 WeakPolarHBondContact O-CB 2.91Å; C3-I6 PolarHBondContact O-N 3.45Å; S4-I6 PolarHBondContact O-N 2.56Å; I6-Q8 PolarHBondContact O-N 2.82Å; I6-Q8 PolarHBondContact O-NE2 3.07Å
7S81.1Confident76Confident44 Ų4448.9 Ų48.931%0.30826%0.257SS..EExtended strand (participates in β ladder)trans-55.1123.9171.7-64.40000110.9N36S7-N36 VanDerWaalsContact CB-O 3.29Å; S7-N36 WeakPolarHBondContact CB-O 3.29Å; S7-N36 VanDerWaalsContact OG-C 3.26Å; S7-N36 PolarHBondContact OG-O 3.22Å
8Q80.1Confident75.4Confident57 Ų5751.3 Ų51.327%0.26627%0.27SS..PPolyproline II helixtrans-88.2130.9176.2-63.9-58-7200109.1M1 C3 I6 T33 G37 L97M1-Q8 PolarHBondContact O-N 3.48Å; C3-Q8 VanDerWaalsContact CB-CD 3.47Å; C3-Q8 HydrophobicContact CB-CG 3.57Å; I6-Q8 PolarHBondContact O-N 2.82Å; I6-Q8 PolarHBondContact O-NE2 3.07Å; Q8-T33 VanDerWaalsContact O-CB 3.31Å; Q8-T33 WeakPolarHBondContact O-CB 3.25Å; Q8-T33 PolarHBondContact O-OG1 2.96Å; Q8-G37 WeakPolarHBondContact O-CA 3.4Å; Q8-L97 HydrophobicContact CB-CD1 4.08Å; Q8-L97 HydrophobicContact CG-CD1 3.75Å
9K63.6Low74.7Confident126 Ų12650.3 Ų50.355%0.54827%0.265SS..SBendtrans-91.1-37.8177.2-81.7179173.5-179.10112.7L11 T33K9-L11 PolarHBondContact O-N 2.71Å; K9-T33 PolarHBondContact O-OG1 3.04Å
10C59.5Low73.8Confident93 Ų9353.7 Ų53.763%0.62829%0.29SS*.  trans-100.755.6-171-57.80000111.8
11L65.3Low72.8Confident1 Ų158.2 Ų58.21%0.00531%0.314CS..  trans-98.7125.9171.4-177.972.2000108.2M1 K9 L13 Y32 T33 I57 Y58 H59 L97M1-L11 HydrophobicContact CB-CD2 3.98Å; M1-L11 HydrophobicContact CE-CD2 3.79Å; M1-L11 HydrophobicContact CG-CD2 3.54Å; M1-L11 HydrophobicContact SD-CD2 4.4Å; K9-L11 PolarHBondContact O-N 2.71Å; L11-L13 HydrophobicContact CB-CD1 4.25Å; L11-L13 HydrophobicContact CD2-CD1 3.58Å; L11-L13 HydrophobicContact CD2-CD2 4.07Å; L11-L13 HydrophobicContact CD2-CG 3.84Å; L11-L13 HydrophobicContact CG-CD1 3.8Å; L11-L13 HydrophobicContact CG-CG 4.07Å; L11-Y32 VanDerWaalsContact O-CA 3.26Å; L11-Y32 WeakPolarHBondContact O-CA 3.41Å; L11-T33 HydrophobicContact CB-CG2 3.91Å; L11-T33 WeakPolarHBondContact CB-OG1 3.23Å; L11-T33 HydrophobicContact CD2-CG2 3.78Å; L11-T33 HydrophobicContact CG-CG2 4.44Å; L11-T33 PolarHBondContact N-OG1 3.28Å; L11-T33 PolarHBondContact O-N 2.73Å; L11-I57 HydrophobicContact CD1-CG2 3.24Å; L11-I57 HydrophobicContact CD2-CG2 3.72Å; L11-I57 HydrophobicContact CG-CG2 3.83Å; L11-Y58 WeakPolarHBondContact CD1-O 3.49Å; L11-H59 HydrophobicContact CD1-CB 3.42Å; L11-H59 VanDerWaalsContact CD1-CB 3.42Å; L11-L97 HydrophobicContact CD1-CD1 4.25Å; L11-L97 HydrophobicContact CD1-CD2 4.45Å
12Y70.5Confident71.2Confident64 Ų6464.8 Ų64.825%0.25134%0.342SS..EExtended strand (participates in β ladder)trans-88.3126.4169.4-57.1-107.2000108.6Y14 E30 Y32 I57 Y58Y12-Y14 VanDerWaalsContact CB-CE2 3.42Å; Y12-Y14 HydrophobicContact CD1-CE2 4.41Å; Y12-Y14 HydrophobicContact CG-CE2 4.27Å; Y12-E30 WeakPolarHBondContact CD1-OE1 3.21Å; Y12-Y32 HydrophobicContact CD1-CD1 4.4Å; Y12-Y32 AromaticContact CD1-CE1 3.7Å; Y12-Y32 HydrophobicContact CD1-CE1 3.7Å; Y12-Y32 HydrophobicContact CD1-CE2 4.41Å; Y12-Y32 AromaticContact CD1-CZ 3.73Å; Y12-Y32 HydrophobicContact CD2-CE1 4.05Å; Y12-Y32 HydrophobicContact CE1-CD1 4.43Å; Y12-Y32 AromaticContact CE1-CE1 3.35Å; Y12-Y32 HydrophobicContact CE1-CE1 3.35Å; Y12-Y32 HydrophobicContact CE1-CE2 4.1Å; Y12-Y32 AromaticContact CE1-CZ 3.15Å; Y12-Y32 WeakPolarHBondContact CE1-OH 3.5Å; Y12-Y32 AromaticContact CE2-CE1 3.68Å; Y12-Y32 HydrophobicContact CE2-CE1 3.68Å; Y12-Y32 HydrophobicContact CG-CE1 4.04Å; Y12-Y32 AromaticContact CZ-CE1 3.31Å; Y12-Y32 AromaticContact CZ-CZ 3.48Å; Y12-Y32 VanDerWaalsContact CZ-CZ 3.48Å; Y12-Y32 PolarHBondContact OH-OH 3.31Å; Y12-I57 WeakPolarHBondContact O-CA 3.32Å; Y12-Y58 PolarHBondContact N-O 2.84Å; Y12-Y58 VanDerWaalsContact N-O 3.14Å; Y12-Y58 PolarHBondContact O-N 2.92Å
13L70.9Confident69.5Low0 Ų066.7 Ų66.70%037%0.372CS..EExtended strand (participates in β ladder)trans-115.9128.6170.3-5899.9000109.4L11 E30 K31 T33 F39 L41 L55 K56 I57L11-L13 HydrophobicContact CB-CD1 4.25Å; L11-L13 HydrophobicContact CD2-CD1 3.58Å; L11-L13 HydrophobicContact CD2-CD2 4.07Å; L11-L13 HydrophobicContact CD2-CG 3.84Å; L11-L13 HydrophobicContact CG-CD1 3.8Å; L11-L13 HydrophobicContact CG-CG 4.07Å; L13-E30 VanDerWaalsContact O-CA 3.3Å; L13-E30 WeakPolarHBondContact O-CA 3.07Å; L13-K31 PolarHBondContact N-O 2.93Å; L13-K31 PolarHBondContact O-N 3.19Å; L13-K31 VanDerWaalsContact O-N 3.09Å; L13-T33 HydrophobicContact CD1-CG2 3.95Å; L13-F39 HydrophobicContact CD1-CB 4Å; L13-F39 HydrophobicContact CD1-CD1 4.06Å; L13-F39 HydrophobicContact CD1-CD2 4.36Å; L13-F39 HydrophobicContact CD1-CG 3.87Å; L13-F39 HydrophobicContact CD2-CD1 3.6Å; L13-F39 HydrophobicContact CD2-CD2 3.58Å; L13-F39 HydrophobicContact CD2-CE1 3.45Å; L13-F39 VanDerWaalsContact CD2-CE1 3.45Å; L13-F39 HydrophobicContact CD2-CE2 3.44Å; L13-F39 VanDerWaalsContact CD2-CE2 3.44Å; L13-F39 HydrophobicContact CD2-CG 3.66Å; L13-F39 HydrophobicContact CD2-CZ 3.36Å; L13-F39 HydrophobicContact CG-CD2 4.48Å; L13-F39 HydrophobicContact CG-CG 4.39Å; L13-L41 HydrophobicContact CB-CD1 3.6Å; L13-L41 HydrophobicContact CB-CG 4.44Å; L13-L55 HydrophobicContact CB-CD1 4.14Å; L13-L55 HydrophobicContact CD2-CD1 4.09Å; L13-K56 CarbonylContact C-O 3.57Å; L13-K56 VanDerWaalsContact CA-O 3.26Å; L13-K56 WeakPolarHBondContact CA-O 3.48Å; L13-I57 HydrophobicContact CD2-CD1 3.9Å; L13-I57 HydrophobicContact CD2-CG1 3.81Å; L13-I57 HydrophobicContact CG-CG1 4.23Å
14Y76.3Confident68Low46 Ų4673.2 Ų73.218%0.1840%0.399CS..EExtended strand (participates in β ladder)trans-118.7133.9178.4-62.1-101.5000109.3Y12 T27 D29 E30 L55 K56 Y58Y12-Y14 VanDerWaalsContact CB-CE2 3.42Å; Y12-Y14 HydrophobicContact CD1-CE2 4.41Å; Y12-Y14 HydrophobicContact CG-CE2 4.27Å; Y14-T27 HydrophobicContact CD1-CG2 3.83Å; Y14-D29 WeakPolarHBondContact CA-O 3.34Å; Y14-E30 HydrophobicContact CD1-CB 3.95Å; Y14-E30 HydrophobicContact CD1-CG 3.82Å; Y14-E30 HydrophobicContact CE1-CB 3.99Å; Y14-E30 HydrophobicContact CE1-CG 3.44Å; Y14-E30 VanDerWaalsContact CE1-CG 3.44Å; Y14-E30 VanDerWaalsContact CE1-OE1 3.23Å; Y14-E30 WeakPolarHBondContact CE1-OE1 3.44Å; Y14-E30 HydrophobicContact CE2-CG 4.47Å; Y14-E30 HydrophobicContact CG-CG 4.42Å; Y14-E30 VanDerWaalsContact CZ-CD 3.47Å; Y14-E30 PolarHBondContact OH-OE1 2.77Å; Y14-L55 CarbonylContact O-C 3.57Å; Y14-L55 WeakPolarHBondContact O-CA 3.31Å; Y14-K56 PolarHBondContact N-O 3.43Å; Y14-K56 PolarHBondContact O-N 2.97Å; Y14-Y58 AromaticContact CD2-CD2 3.41Å; Y14-Y58 HydrophobicContact CD2-CD2 3.41Å; Y14-Y58 VanDerWaalsContact CD2-CD2 3.41Å; Y14-Y58 AromaticContact CD2-CE2 3.1Å; Y14-Y58 HydrophobicContact CD2-CE2 3.1Å; Y14-Y58 AromaticContact CE2-CD2 3.43Å; Y14-Y58 HydrophobicContact CE2-CD2 3.43Å; Y14-Y58 VanDerWaalsContact CE2-CD2 3.43Å; Y14-Y58 AromaticContact CE2-CE2 3.34Å; Y14-Y58 HydrophobicContact CE2-CE2 3.34Å; Y14-Y58 HydrophobicContact CE2-CG 4.27Å; Y14-Y58 HydrophobicContact CG-CE2 4.09Å
15L72.6Confident67Low21 Ų2173.7 Ų73.711%0.1140%0.397CS..EExtended strand (participates in β ladder)trans-95.1111.2160.8-16684.7000107M28 D29 P53 V54 I75L15-M28 HydrophobicContact CB-CB 4.45Å; L15-M28 HydrophobicContact CB-CE 4.41Å; L15-M28 HydrophobicContact CD2-CB 4Å; L15-M28 HydrophobicContact CD2-CE 3.41Å; L15-M28 VanDerWaalsContact CD2-CE 3.41Å; L15-M28 HydrophobicContact CD2-SD 4.1Å; L15-M28 HydrophobicContact CG-CE 3.53Å; L15-M28 PolarHBondContact O-N 3.03Å; L15-D29 PolarHBondContact N-O 2.74Å; L15-P53 HydrophobicContact CD1-CB 4.31Å; L15-V54 WeakPolarHBondContact CA-O 3.3Å; L15-I75 HydrophobicContact CD1-CD1 3.67Å
16A72.7Confident66.9Low0 Ų070.5 Ų70.50%038%0.381CS..EExtended strand (participates in β ladder)trans-116.7149-178.100000111.6D25 D26 P53 V54 K56A16-D25 WeakPolarHBondContact CB-OD1 3.45Å; A16-D25 WeakPolarHBondContact CB-OD2 3.27Å; A16-D26 CarbonylContact C-O 3.59Å; A16-D26 WeakPolarHBondContact CA-O 2.99Å; A16-P53 WeakPolarHBondContact O-CA 3.22Å; A16-V54 PolarHBondContact N-O 2.72Å; A16-V54 PolarHBondContact O-N 3.21Å; A16-K56 HydrophobicContact CB-CD 4.36Å
17F69.5Low67.1Low3 Ų368.9 Ų68.91%0.01338%0.377CS..EExtended strand (participates in β ladder)trans-101120.1171.2175.4-130.1000109.4I19 D26 M28 E47 I51F17-I19 HydrophobicContact CD1-CD1 3.73Å; F17-I19 HydrophobicContact CD1-CG1 3.5Å; F17-I19 VanDerWaalsContact CD1-CG1 3.5Å; F17-I19 HydrophobicContact CE1-CB 4.1Å; F17-I19 HydrophobicContact CE1-CD1 3.59Å; F17-I19 HydrophobicContact CE1-CG1 3.37Å; F17-I19 HydrophobicContact CE1-CG2 4.03Å; F17-I19 HydrophobicContact CG-CG1 4.36Å; F17-I19 HydrophobicContact CZ-CB 4.47Å; F17-I19 HydrophobicContact CZ-CG1 4.14Å; F17-I19 HydrophobicContact CZ-CG2 4.25Å; F17-I19 PolarHBondContact O-N 3.18Å; F17-D26 PolarHBondContact N-O 3.39Å; F17-D26 PolarHBondContact O-N 3.38Å; F17-M28 HydrophobicContact CB-CE 4.24Å; F17-E47 HydrophobicContact CD1-CG 3.85Å; F17-E47 HydrophobicContact CE1-CB 4.47Å; F17-E47 HydrophobicContact CE1-CG 3.46Å; F17-E47 VanDerWaalsContact CE1-CG 3.46Å; F17-E47 WeakPolarHBondContact CE1-OE2 3.35Å; F17-E47 HydrophobicContact CZ-CG 4.05Å; F17-I51 HydrophobicContact CD1-CG2 4.38Å; F17-I51 HydrophobicContact CD2-CB 3.65Å; F17-I51 HydrophobicContact CD2-CG2 3.69Å; F17-I51 HydrophobicContact CE1-CG2 4.3Å; F17-I51 VanDerWaalsContact CE2-CA 3.44Å; F17-I51 HydrophobicContact CE2-CB 3.72Å; F17-I51 HydrophobicContact CE2-CG2 3.65Å; F17-I51 HydrophobicContact CG-CB 4.43Å; F17-I51 HydrophobicContact CG-CG2 4.1Å; F17-I51 HydrophobicContact CZ-CB 4.49Å; F17-I51 HydrophobicContact CZ-CG2 3.95Å
18D64.6Low67.4Low93 Ų9368.2 Ų68.250%0.49737%0.369SS..  trans-89.6104.9177.9-149.1-10.8000109P20D18-P20 WeakPolarHBondContact O-CD 3.49Å
19I61.1Low68Low32 Ų3266.9 Ų66.916%0.16436%0.364CS..  trans-93.6116.5177.3-25.4-168.1000108.6F17 D21F17-I19 HydrophobicContact CD1-CD1 3.73Å; F17-I19 HydrophobicContact CD1-CG1 3.5Å; F17-I19 VanDerWaalsContact CD1-CG1 3.5Å; F17-I19 HydrophobicContact CE1-CB 4.1Å; F17-I19 HydrophobicContact CE1-CD1 3.59Å; F17-I19 HydrophobicContact CE1-CG1 3.37Å; F17-I19 HydrophobicContact CE1-CG2 4.03Å; F17-I19 HydrophobicContact CG-CG1 4.36Å; F17-I19 HydrophobicContact CZ-CB 4.47Å; F17-I19 HydrophobicContact CZ-CG1 4.14Å; F17-I19 HydrophobicContact CZ-CG2 4.25Å; F17-I19 PolarHBondContact O-N 3.18Å; I19-D21 PolarHBondContact O-N 3.12Å
20P57.1Low69.2Low118 Ų11865.1 Ų65.177%0.76636%0.357SS*.SBendtrans-63.9-28.7178.2-21.532.3000113.5D18D18-P20 WeakPolarHBondContact O-CD 3.49Å
21D53.7Low70.7Confident148 Ų14865 Ų6579%0.79135%0.346SS*.SBendtrans-91.6-20-166.5-72.2-26.1000114.5I19I19-D21 PolarHBondContact O-N 3.12Å
22F51.4Low72Confident152 Ų15270.8 Ų70.867%0.66737%0.369SS*.SBendtrans-138.9106.9174.3-104.7-97.5000106.1F24F22-F24 HydrophobicContact CD1-CD2 4.19Å; F22-F24 HydrophobicContact CD1-CE2 4.19Å; F22-F24 PolarHBondContact O-N 3.24Å
23G53.6Low73Confident80 Ų8068.1 Ų68.183%0.82536%0.359SS*.  trans-67.445-170.600000116
24F57.3Low73.9Confident147 Ų14771.2 Ų71.265%0.64538%0.376SS*.  trans-113.6123.4170.9-61.3-71.6000108.2F22 D26F22-F24 HydrophobicContact CD1-CD2 4.19Å; F22-F24 HydrophobicContact CD1-CE2 4.19Å; F22-F24 PolarHBondContact O-N 3.24Å; F24-D26 PolarHBondContact O-N 3.1Å
25D66.7Low74.5Confident62 Ų6272.4 Ų72.433%0.33239%0.391SS..  trans-84.7104.5178-176.863.3000107.8A16 K56A16-D25 WeakPolarHBondContact CB-OD1 3.45Å; A16-D25 WeakPolarHBondContact CB-OD2 3.27Å; D25-K56 IonicContact OD1-NZ 3.03Å; D25-K56 PolarHBondContact OD1-NZ 3.08Å; D25-K56 IonicContact OD2-NZ 2.77Å; D25-K56 PolarHBondContact OD2-NZ 2.8Å
26D76.3Confident75.4Confident83 Ų8375.9 Ų75.944%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-83122.4-177.9-89.3-19000110.3A16 F17 F24A16-D26 CarbonylContact C-O 3.59Å; A16-D26 WeakPolarHBondContact CA-O 2.99Å; F17-D26 PolarHBondContact N-O 3.39Å; F17-D26 PolarHBondContact O-N 3.38Å; F24-D26 PolarHBondContact O-N 3.1Å
27T85.8Confident76.2Confident76 Ų7676 Ų7647%0.46641%0.41SS..EExtended strand (participates in β ladder)trans-80.6123.4177.5-61.70000110Y14 E30Y14-T27 HydrophobicContact CD1-CG2 3.83Å; T27-E30 HydrophobicContact CG2-CB 4.25Å
28M87.7Confident77.3Confident30 Ų3081.6 Ų81.615%0.14844%0.437CS..EExtended strand (participates in β ladder)trans-95.4-31.9178.1-64.5-178-79.400113.3L15 F17 T45 I51 P53L15-M28 HydrophobicContact CB-CB 4.45Å; L15-M28 HydrophobicContact CB-CE 4.41Å; L15-M28 HydrophobicContact CD2-CB 4Å; L15-M28 HydrophobicContact CD2-CE 3.41Å; L15-M28 VanDerWaalsContact CD2-CE 3.41Å; L15-M28 HydrophobicContact CD2-SD 4.1Å; L15-M28 HydrophobicContact CG-CE 3.53Å; L15-M28 PolarHBondContact O-N 3.03Å; F17-M28 HydrophobicContact CB-CE 4.24Å; M28-T45 HydrophobicContact CG-CG2 4.44Å; M28-T45 HydrophobicContact SD-CG2 3.77Å; M28-I51 HydrophobicContact SD-CD1 4.36Å; M28-P53 HydrophobicContact CE-CB 4.02Å
29D90.9Very high78.7Confident30 Ų3080 Ų8016%0.1643%0.425CS..EExtended strand (participates in β ladder)trans-156.4149171.9-167.114.1000109.7Y14 L15 K31 L41 D42Y14-D29 WeakPolarHBondContact CA-O 3.34Å; L15-D29 PolarHBondContact N-O 2.74Å; D29-K31 WeakPolarHBondContact OD1-CE 3.34Å; D29-K31 WeakPolarHBondContact OD2-CE 3.29Å; D29-L41 HydrophobicContact CB-CD2 4.16Å; D29-L41 VanDerWaalsContact OD2-CA 3.3Å; D29-L41 WeakPolarHBondContact OD2-CA 2.98Å; D29-L41 WeakPolarHBondContact OD2-CD2 2.91Å; D29-D42 WeakPolarHBondContact CB-O 3.32Å; D29-D42 PolarHBondContact OD2-N 3.25Å
30E90.7Very high80.2Confident88 Ų8884 Ų8441%0.41144%0.439SS..EExtended strand (participates in β ladder)trans-142.6127.9179.6177.7-172.2-170.400110.2Y12 L13 Y14 T27Y12-E30 WeakPolarHBondContact CD1-OE1 3.21Å; L13-E30 VanDerWaalsContact O-CA 3.3Å; L13-E30 WeakPolarHBondContact O-CA 3.07Å; Y14-E30 HydrophobicContact CD1-CB 3.95Å; Y14-E30 HydrophobicContact CD1-CG 3.82Å; Y14-E30 HydrophobicContact CE1-CB 3.99Å; Y14-E30 HydrophobicContact CE1-CG 3.44Å; Y14-E30 VanDerWaalsContact CE1-CG 3.44Å; Y14-E30 VanDerWaalsContact CE1-OE1 3.23Å; Y14-E30 WeakPolarHBondContact CE1-OE1 3.44Å; Y14-E30 HydrophobicContact CE2-CG 4.47Å; Y14-E30 HydrophobicContact CG-CG 4.42Å; Y14-E30 VanDerWaalsContact CZ-CD 3.47Å; Y14-E30 PolarHBondContact OH-OE1 2.77Å; T27-E30 HydrophobicContact CG2-CB 4.25Å
31K90.8Very high81.9Confident92 Ų9279.9 Ų79.940%0.441%0.41SS..EExtended strand (participates in β ladder)trans-146.4158175.3-61.7-172.6-158.5-1380113.9L13 D29 Y40 L41L13-K31 PolarHBondContact N-O 2.93Å; L13-K31 PolarHBondContact O-N 3.19Å; L13-K31 VanDerWaalsContact O-N 3.09Å; D29-K31 WeakPolarHBondContact OD1-CE 3.34Å; D29-K31 WeakPolarHBondContact OD2-CE 3.29Å; K31-Y40 VanDerWaalsContact CD-O 3.28Å; K31-Y40 WeakPolarHBondContact CD-O 3.06Å; K31-Y40 WeakPolarHBondContact CE-O 3.36Å; K31-L41 HydrophobicContact CB-CD2 3.8Å; K31-L41 HydrophobicContact CD-CD2 4.11Å; K31-L41 HydrophobicContact CG-CD2 3.71Å
32Y91Very high83.6Confident122 Ų12276.5 Ų76.548%0.47839%0.392SS..EExtended strand (participates in β ladder)trans-87.6146.6162.1-61.5-90.4000111.5L11 Y12L11-Y32 VanDerWaalsContact O-CA 3.26Å; L11-Y32 WeakPolarHBondContact O-CA 3.41Å; Y12-Y32 HydrophobicContact CD1-CD1 4.4Å; Y12-Y32 AromaticContact CD1-CE1 3.7Å; Y12-Y32 HydrophobicContact CD1-CE1 3.7Å; Y12-Y32 HydrophobicContact CD1-CE2 4.41Å; Y12-Y32 AromaticContact CD1-CZ 3.73Å; Y12-Y32 HydrophobicContact CD2-CE1 4.05Å; Y12-Y32 HydrophobicContact CE1-CD1 4.43Å; Y12-Y32 AromaticContact CE1-CE1 3.35Å; Y12-Y32 HydrophobicContact CE1-CE1 3.35Å; Y12-Y32 HydrophobicContact CE1-CE2 4.1Å; Y12-Y32 AromaticContact CE1-CZ 3.15Å; Y12-Y32 WeakPolarHBondContact CE1-OH 3.5Å; Y12-Y32 AromaticContact CE2-CE1 3.68Å; Y12-Y32 HydrophobicContact CE2-CE1 3.68Å; Y12-Y32 HydrophobicContact CG-CE1 4.04Å; Y12-Y32 AromaticContact CZ-CE1 3.31Å; Y12-Y32 AromaticContact CZ-CZ 3.48Å; Y12-Y32 VanDerWaalsContact CZ-CZ 3.48Å; Y12-Y32 PolarHBondContact OH-OH 3.31Å
33T91.2Very high85.4Confident7 Ų770.2 Ų70.24%0.04337%0.371CS..  trans-59.6146.8163.939.10000112M1 Q8 K9 L11 L13 E38 F39M1-T33 HydrophobicContact CB-CG2 4.3Å; M1-T33 HydrophobicContact CG-CG2 4.1Å; Q8-T33 VanDerWaalsContact O-CB 3.31Å; Q8-T33 WeakPolarHBondContact O-CB 3.25Å; Q8-T33 PolarHBondContact O-OG1 2.96Å; K9-T33 PolarHBondContact O-OG1 3.04Å; L11-T33 HydrophobicContact CB-CG2 3.91Å; L11-T33 WeakPolarHBondContact CB-OG1 3.23Å; L11-T33 HydrophobicContact CD2-CG2 3.78Å; L11-T33 HydrophobicContact CG-CG2 4.44Å; L11-T33 PolarHBondContact N-OG1 3.28Å; L11-T33 PolarHBondContact O-N 2.73Å; L13-T33 HydrophobicContact CD1-CG2 3.95Å; T33-E38 CarbonylContact C-O 3.58Å; T33-E38 VanDerWaalsContact CA-O 3.26Å; T33-E38 WeakPolarHBondContact CA-O 3.33Å; T33-F39 HydrophobicContact CG2-CB 4.16Å; T33-F39 HydrophobicContact CG2-CD1 4.06Å
34D90.5Very high87Confident66 Ų6673.5 Ų73.535%0.35336%0.364SS..  trans-77.2-170.3175757.2000112.9N36 G37 E38D34-N36 PolarHBondContact O-N 3.19Å; D34-N36 WeakPolarHBondContact OD1-CA 3.46Å; D34-N36 WeakPolarHBondContact OD1-CB 3.31Å; D34-N36 PolarHBondContact OD1-N 2.75Å; D34-G37 PolarHBondContact O-N 3.2Å; D34-G37 PolarHBondContact OD1-N 2.87Å; D34-E38 PolarHBondContact N-O 2.92Å; D34-E38 PolarHBondContact OD1-N 2.86Å
35S89.2Confident88.2Confident70 Ų7069.3 Ų69.349%0.4935%0.351SS..THydrogen-bonded Turntrans-64.7-22.2178.554.80000115.5G37S35-G37 VanDerWaalsContact C-N 3.33Å
36N90.9Very high89Confident95 Ų9572 Ų7251%0.50837%0.374SS..THydrogen-bonded Turntrans-91.2-4.2177-57.2-28.4000111.2S7 D34 E38S7-N36 VanDerWaalsContact CB-O 3.29Å; S7-N36 WeakPolarHBondContact CB-O 3.29Å; S7-N36 VanDerWaalsContact OG-C 3.26Å; S7-N36 PolarHBondContact OG-O 3.22Å; D34-N36 PolarHBondContact O-N 3.19Å; D34-N36 WeakPolarHBondContact OD1-CA 3.46Å; D34-N36 WeakPolarHBondContact OD1-CB 3.31Å; D34-N36 PolarHBondContact OD1-N 2.75Å; N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 HydrophobicContact CB-CG 3.92Å; N36-E38 PolarHBondContact ND2-OE2 2.03Å
37G90.7Very high88.8Confident1 Ų171.1 Ų71.11%0.0137%0.368CS..SBendtrans79.116.9-174.800000112.3M1 Q8 D34 S35M1-G37 PolarHBondContact N-O 3.2Å; Q8-G37 WeakPolarHBondContact O-CA 3.4Å; D34-G37 PolarHBondContact O-N 3.2Å; D34-G37 PolarHBondContact OD1-N 2.87Å; S35-G37 VanDerWaalsContact C-N 3.33Å
38E92.9Very high88.2Confident122 Ų12275.9 Ų75.957%0.5739%0.388SS*.  trans-89.3152.8178.9-59.5178.7133.900109.9T33 D34 N36T33-E38 CarbonylContact C-O 3.58Å; T33-E38 VanDerWaalsContact CA-O 3.26Å; T33-E38 WeakPolarHBondContact CA-O 3.33Å; D34-E38 PolarHBondContact N-O 2.92Å; D34-E38 PolarHBondContact OD1-N 2.86Å; N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 HydrophobicContact CB-CG 3.92Å; N36-E38 PolarHBondContact ND2-OE2 2.03Å
39F92.5Very high87.6Confident59 Ų5979 Ų7926%0.25941%0.409SS..  trans-149.6156.8175.368.5-90.2000109.9M1 L13 T33 L41 I92M1-F39 HydrophobicContact CG-CD1 4.05Å; M1-F39 HydrophobicContact CG-CE1 3.88Å; M1-F39 HydrophobicContact SD-CE1 4.02Å; L13-F39 HydrophobicContact CD1-CB 4Å; L13-F39 HydrophobicContact CD1-CD1 4.06Å; L13-F39 HydrophobicContact CD1-CD2 4.36Å; L13-F39 HydrophobicContact CD1-CG 3.87Å; L13-F39 HydrophobicContact CD2-CD1 3.6Å; L13-F39 HydrophobicContact CD2-CD2 3.58Å; L13-F39 HydrophobicContact CD2-CE1 3.45Å; L13-F39 VanDerWaalsContact CD2-CE1 3.45Å; L13-F39 HydrophobicContact CD2-CE2 3.44Å; L13-F39 VanDerWaalsContact CD2-CE2 3.44Å; L13-F39 HydrophobicContact CD2-CG 3.66Å; L13-F39 HydrophobicContact CD2-CZ 3.36Å; L13-F39 HydrophobicContact CG-CD2 4.48Å; L13-F39 HydrophobicContact CG-CG 4.39Å; T33-F39 HydrophobicContact CG2-CB 4.16Å; T33-F39 HydrophobicContact CG2-CD1 4.06Å; F39-L41 HydrophobicContact CD2-CG 4.29Å; F39-I92 HydrophobicContact CE1-CD1 3.99Å; F39-I92 HydrophobicContact CE1-CG1 4.45Å; F39-I92 HydrophobicContact CZ-CD1 3.54Å; F39-I92 HydrophobicContact CZ-CG1 3.9Å
40Y93.1Very high86.8Confident117 Ų11781.4 Ų81.446%0.45943%0.428SS..  trans-142.6122.1171.1-176.8-87.1000108.2K31 D42 V89K31-Y40 VanDerWaalsContact CD-O 3.28Å; K31-Y40 WeakPolarHBondContact CD-O 3.06Å; K31-Y40 WeakPolarHBondContact CE-O 3.36Å; Y40-D42 HydrophobicContact CE1-CB 3.85Å; Y40-V89 HydrophobicContact CE2-CG1 4.46Å; Y40-V89 HydrophobicContact CE2-CG2 4.11Å
41L92.7Very high86.4Confident30 Ų3078.5 Ų78.516%0.15742%0.415CS..  trans-113.8139.6178.2-68.6174.6000109.7L13 D29 K31 F39 L55L13-L41 HydrophobicContact CB-CD1 3.6Å; L13-L41 HydrophobicContact CB-CG 4.44Å; D29-L41 HydrophobicContact CB-CD2 4.16Å; D29-L41 VanDerWaalsContact OD2-CA 3.3Å; D29-L41 WeakPolarHBondContact OD2-CA 2.98Å; D29-L41 WeakPolarHBondContact OD2-CD2 2.91Å; K31-L41 HydrophobicContact CB-CD2 3.8Å; K31-L41 HydrophobicContact CD-CD2 4.11Å; K31-L41 HydrophobicContact CG-CD2 3.71Å; F39-L41 HydrophobicContact CD2-CG 4.29Å; L41-L55 HydrophobicContact CD1-CD1 3.73Å
42D90.6Very high86.2Confident78 Ų7877.6 Ų77.642%0.41742%0.415SS..  trans-148.4119.3174.2-175.911.5000109.1D29 Y40D29-D42 WeakPolarHBondContact CB-O 3.32Å; D29-D42 PolarHBondContact OD2-N 3.25Å; Y40-D42 HydrophobicContact CE1-CB 3.85Å
43G88.3Confident86Confident20 Ų2072 Ų7221%0.20639%0.394CS..  trans-132.8150.6-171.100000111.5
44Q86.2Confident86Confident148 Ų14872 Ų7269%0.69239%0.394SS*.  trans-134.1146179.7-62.3178.335.200109.4
45T84.3Confident86Confident60 Ų6069.1 Ų69.137%0.36838%0.378SS..  trans-144162.9171.5-1740000110.2M28 E47 I51M28-T45 HydrophobicContact CG-CG2 4.44Å; M28-T45 HydrophobicContact SD-CG2 3.77Å; T45-E47 HydrophobicContact CG2-CG 3.72Å; T45-I51 HydrophobicContact CG2-CG2 3.71Å
46S81.7Confident86.1Confident117 Ų11766.3 Ų66.382%0.81836%0.357SS*.  trans-11389.7177.2175.10000109.6
47E74Confident86.1Confident65 Ų6561.8 Ų61.830%0.30433%0.333SS..  trans-110.5149.6-178-69.8-62.2151.300112.5F17 T45 I51F17-E47 HydrophobicContact CD1-CG 3.85Å; F17-E47 HydrophobicContact CE1-CB 4.47Å; F17-E47 HydrophobicContact CE1-CG 3.46Å; F17-E47 VanDerWaalsContact CE1-CG 3.46Å; F17-E47 WeakPolarHBondContact CE1-OE2 3.35Å; F17-E47 HydrophobicContact CZ-CG 4.05Å; T45-E47 HydrophobicContact CG2-CG 3.72Å; E47-I51 HydrophobicContact CB-CG2 3.76Å; E47-I51 HydrophobicContact CG-CG2 3.57Å
48I72.2Confident86.1Confident176 Ų17662.6 Ų62.690%0.90334%0.336SS*.SBendtrans-74.9-34176.5-58.8172.4000110.3
49T74.8Confident86Confident96 Ų9657 Ų5759%0.58931%0.31SS*.SBendtrans-103.7173.9-178.756.60000112.1I51T49-I51 PolarHBondContact O-N 2.73Å
50S75.3Confident85.9Confident80 Ų8057.9 Ų57.956%0.55932%0.317SS*.PPolyproline II helixtrans-64.4135.8168.868.20000110K77S50-K77 PolarHBondContact OG-NZ 2.87Å
51I81.6Confident85.8Confident27 Ų2752.4 Ų52.414%0.13830%0.296CS..PPolyproline II helixtrans-80154.6175.952.5147.5000112.9F17 M28 T45 E47 T49 P53 I80F17-I51 HydrophobicContact CD1-CG2 4.38Å; F17-I51 HydrophobicContact CD2-CB 3.65Å; F17-I51 HydrophobicContact CD2-CG2 3.69Å; F17-I51 HydrophobicContact CE1-CG2 4.3Å; F17-I51 VanDerWaalsContact CE2-CA 3.44Å; F17-I51 HydrophobicContact CE2-CB 3.72Å; F17-I51 HydrophobicContact CE2-CG2 3.65Å; F17-I51 HydrophobicContact CG-CB 4.43Å; F17-I51 HydrophobicContact CG-CG2 4.1Å; F17-I51 HydrophobicContact CZ-CB 4.49Å; F17-I51 HydrophobicContact CZ-CG2 3.95Å; M28-I51 HydrophobicContact SD-CD1 4.36Å; T45-I51 HydrophobicContact CG2-CG2 3.71Å; E47-I51 HydrophobicContact CB-CG2 3.76Å; E47-I51 HydrophobicContact CG-CG2 3.57Å; T49-I51 PolarHBondContact O-N 2.73Å; I51-P53 HydrophobicContact CD1-CG 4.49Å; I51-I80 HydrophobicContact CD1-CD1 4.1Å; I51-I80 HydrophobicContact CD1-CG1 4.07Å; I51-I80 HydrophobicContact CD1-CG2 3.76Å; I51-I80 HydrophobicContact CG1-CD1 3.88Å; I51-I80 HydrophobicContact CG1-CG1 4.29Å; I51-I80 HydrophobicContact CG1-CG2 3.66Å; I51-I80 WeakPolarHBondContact O-CD1 3.35Å
52D86Confident85.5Confident73 Ų7357.4 Ų57.439%0.3932%0.318SS..  trans-122.479.8175.1-73.9-56.8000108.8K77D52-K77 WeakPolarHBondContact OD1-CE 3.3Å; D52-K77 IonicContact OD1-NZ 3.23Å; D52-K77 PolarHBondContact OD1-NZ 2.84Å; D52-K77 IonicContact OD2-NZ 2.85Å
53P87.9Confident85.1Confident6 Ų654.7 Ų54.74%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-70.4135.8-17426.1-33.4000111.8L15 A16 M28 I51 I75 I80L15-P53 HydrophobicContact CD1-CB 4.31Å; A16-P53 WeakPolarHBondContact O-CA 3.22Å; M28-P53 HydrophobicContact CE-CB 4.02Å; I51-P53 HydrophobicContact CD1-CG 4.49Å; P53-I75 HydrophobicContact CB-CB 4.25Å; P53-I75 HydrophobicContact CG-CB 3.91Å; P53-I75 HydrophobicContact CG-CG2 4.24Å; P53-I75 PolarHBondContact O-N 2.01Å; P53-I80 HydrophobicContact CG-CD1 3.58Å; P53-I80 HydrophobicContact CG-CG1 3.83Å
54V89.9Confident84.8Confident7 Ų757.9 Ų57.94%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-120128.2177.5-1780000109.4L15 A16 K56 K72L15-V54 WeakPolarHBondContact CA-O 3.3Å; A16-V54 PolarHBondContact N-O 2.72Å; A16-V54 PolarHBondContact O-N 3.21Å; V54-K56 HydrophobicContact CG1-CG 3.94Å; V54-K72 HydrophobicContact CG1-CB 4.18Å
55L91.3Very high84.7Confident5 Ų557.3 Ų57.33%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-84.7120.6166.317857.9000109.4L13 Y14 L41 I57 K72 M73 I75 I92L13-L55 HydrophobicContact CB-CD1 4.14Å; L13-L55 HydrophobicContact CD2-CD1 4.09Å; Y14-L55 CarbonylContact O-C 3.57Å; Y14-L55 WeakPolarHBondContact O-CA 3.31Å; L41-L55 HydrophobicContact CD1-CD1 3.73Å; L55-I57 HydrophobicContact CD1-CG1 4.42Å; L55-I57 HydrophobicContact CD2-CD1 4.22Å; L55-I57 HydrophobicContact CD2-CG1 4.4Å; L55-I57 HydrophobicContact CG-CD1 4.44Å; L55-I57 HydrophobicContact CG-CG1 4.09Å; L55-K72 CarbonylContact O-C 3.57Å; L55-K72 WeakPolarHBondContact O-CA 2.88Å; L55-M73 HydrophobicContact CB-CB 4.44Å; L55-M73 HydrophobicContact CD2-CE 3.78Å; L55-M73 HydrophobicContact CG-CE 4.15Å; L55-M73 PolarHBondContact N-O 2.94Å; L55-M73 PolarHBondContact O-N 2.81Å; L55-I75 HydrophobicContact CB-CD1 4.22Å; L55-I75 HydrophobicContact CB-CG1 4.28Å; L55-I92 HydrophobicContact CD2-CD1 4.16Å; L55-I92 HydrophobicContact CD2-CG2 4.21Å
56K90.3Very high84.6Confident11 Ų1159.7 Ų59.75%0.04835%0.348CS..EExtended strand (participates in β ladder)trans-111.9123.3175.2-53.4-176.3-177.71730109.7L13 Y14 A16 D25 V54 Y58 W71 K72L13-K56 CarbonylContact C-O 3.57Å; L13-K56 VanDerWaalsContact CA-O 3.26Å; L13-K56 WeakPolarHBondContact CA-O 3.48Å; Y14-K56 PolarHBondContact N-O 3.43Å; Y14-K56 PolarHBondContact O-N 2.97Å; A16-K56 HydrophobicContact CB-CD 4.36Å; D25-K56 IonicContact OD1-NZ 3.03Å; D25-K56 PolarHBondContact OD1-NZ 3.08Å; D25-K56 IonicContact OD2-NZ 2.77Å; D25-K56 PolarHBondContact OD2-NZ 2.8Å; V54-K56 HydrophobicContact CG1-CG 3.94Å; K56-Y58 HydrophobicContact CB-CD2 4.37Å; K56-Y58 HydrophobicContact CB-CE2 3.56Å; K56-W71 CarbonylContact C-O 3.58Å; K56-W71 VanDerWaalsContact CA-O 3.26Å; K56-W71 WeakPolarHBondContact CA-O 3.38Å; K56-K72 HydrophobicContact CG-CG 4.24Å
57I91.6Very high84.9Confident0 Ų056 Ų560%032%0.322CS..EExtended strand (participates in β ladder)trans-112.8117.7-178.1-64.4-169.6000108.6M1 L11 Y12 L13 L55 R70 W71 M73 I92 L97M1-I57 HydrophobicContact CE-CD1 3.76Å; M1-I57 HydrophobicContact CE-CG2 4.04Å; L11-I57 HydrophobicContact CD1-CG2 3.24Å; L11-I57 HydrophobicContact CD2-CG2 3.72Å; L11-I57 HydrophobicContact CG-CG2 3.83Å; Y12-I57 WeakPolarHBondContact O-CA 3.32Å; L13-I57 HydrophobicContact CD2-CD1 3.9Å; L13-I57 HydrophobicContact CD2-CG1 3.81Å; L13-I57 HydrophobicContact CG-CG1 4.23Å; L55-I57 HydrophobicContact CD1-CG1 4.42Å; L55-I57 HydrophobicContact CD2-CD1 4.22Å; L55-I57 HydrophobicContact CD2-CG1 4.4Å; L55-I57 HydrophobicContact CG-CD1 4.44Å; L55-I57 HydrophobicContact CG-CG1 4.09Å; I57-R70 CarbonylContact O-C 3.55Å; I57-R70 VanDerWaalsContact O-CA 3.31Å; I57-R70 WeakPolarHBondContact O-CA 3.36Å; I57-W71 HydrophobicContact CB-CB 4.22Å; I57-W71 PolarHBondContact N-O 2.63Å; I57-W71 PolarHBondContact O-N 2.78Å; I57-M73 HydrophobicContact CD1-CE 3.37Å; I57-M73 HydrophobicContact CG1-CE 3.94Å; I57-I92 HydrophobicContact CD1-CD1 4.18Å; I57-L97 HydrophobicContact CG2-CD2 4.21Å
58Y91.5Very high85.7Confident18 Ų1854.8 Ų54.87%0.07132%0.317CS..EExtended strand (participates in β ladder)trans-109.1119.4179.6-58.3-109.2000110.6L11 Y12 Y14 K56 R69 R70 N107L11-Y58 WeakPolarHBondContact CD1-O 3.49Å; Y12-Y58 PolarHBondContact N-O 2.84Å; Y12-Y58 VanDerWaalsContact N-O 3.14Å; Y12-Y58 PolarHBondContact O-N 2.92Å; Y14-Y58 AromaticContact CD2-CD2 3.41Å; Y14-Y58 HydrophobicContact CD2-CD2 3.41Å; Y14-Y58 VanDerWaalsContact CD2-CD2 3.41Å; Y14-Y58 AromaticContact CD2-CE2 3.1Å; Y14-Y58 HydrophobicContact CD2-CE2 3.1Å; Y14-Y58 AromaticContact CE2-CD2 3.43Å; Y14-Y58 HydrophobicContact CE2-CD2 3.43Å; Y14-Y58 VanDerWaalsContact CE2-CD2 3.43Å; Y14-Y58 AromaticContact CE2-CE2 3.34Å; Y14-Y58 HydrophobicContact CE2-CE2 3.34Å; Y14-Y58 HydrophobicContact CE2-CG 4.27Å; Y14-Y58 HydrophobicContact CG-CE2 4.09Å; K56-Y58 HydrophobicContact CB-CD2 4.37Å; K56-Y58 HydrophobicContact CB-CE2 3.56Å; Y58-R69 CarbonylContact C-O 3.56Å; Y58-R69 VanDerWaalsContact CA-O 3.27Å; Y58-R69 WeakPolarHBondContact CA-O 3.26Å; Y58-R70 HydrophobicContact CD1-CB 4.24Å; Y58-R70 HydrophobicContact CD1-CG 4.3Å; Y58-R70 HydrophobicContact CE1-CB 4.26Å; Y58-R70 VanDerWaalsContact CE1-CD 3.41Å; Y58-R70 HydrophobicContact CE1-CG 4Å; Y58-R70 HydrophobicContact CE2-CG 4.41Å; Y58-R70 VanDerWaalsContact OH-CD 3.3Å; Y58-R70 WeakPolarHBondContact OH-CD 3.48Å; Y58-R70 PolarHBondContact OH-NH1 3.48Å; Y58-N107 HydrophobicContact CD1-CB 3.84Å; Y58-N107 HydrophobicContact CE1-CB 3.45Å; Y58-N107 VanDerWaalsContact CE1-CB 3.45Å
59H90.9Very high86.6Confident4 Ų446.6 Ų46.62%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-144.5156.9-174.566.2108.5000113.1L11 R69 W71 L97L11-H59 HydrophobicContact CD1-CB 3.42Å; L11-H59 VanDerWaalsContact CD1-CB 3.42Å; H59-R69 PolarHBondContact N-O 3.06Å; H59-R69 WeakPolarHBondContact O-CB 3.44Å; H59-R69 PolarHBondContact O-N 3Å; H59-W71 AromaticContact CE1-NE1 3.91Å; H59-W71 AromaticContact NE2-CD1 3.64Å; H59-W71 AromaticContact NE2-CD2 3.93Å; H59-W71 AromaticContact NE2-CE2 3.33Å; H59-W71 VanDerWaalsContact NE2-CE2 3.33Å; H59-W71 AromaticContact NE2-CZ2 3.77Å; H59-W71 AromaticContact NE2-NE1 3.13Å; H59-W71 PolarHBondContact NE2-NE1 3.14Å; H59-W71 VanDerWaalsContact NE2-NE1 3.13Å; H59-L97 HydrophobicContact CB-CD1 4.13Å; H59-L97 HydrophobicContact CB-CD2 4.21Å; H59-L97 PolarHBondContact CE1-O 2.57Å; H59-L97 VanDerWaalsContact CE1-O 3.24Å
60D88.9Confident87.4Confident78 Ų7843.8 Ų43.842%0.41725%0.253SS..  trans-115.824.4177.5-58.4-43000111.8H62 D63 Q68D60-H62 PolarHBondContact O-N 2.94Å; D60-D63 HydrophobicContact CB-CB 4.23Å; D60-D63 PolarHBondContact O-N 2.85Å; D60-Q68 WeakPolarHBondContact OD1-CA 3.49Å; D60-Q68 WeakPolarHBondContact OD1-CB 2.99Å; D60-Q68 VanDerWaalsContact OD1-CG 3.32Å; D60-Q68 WeakPolarHBondContact OD1-CG 3.26Å; D60-Q68 PolarHBondContact OD2-NE2 2.65Å
61C91Very high88.2Confident2 Ų240.1 Ų40.11%0.01423%0.227CC..THydrogen-bonded Turntrans-61114.9-179.9176.40000110.3C3 D63 R69 L97C3-C61 HydrophobicContact CB-CB 3.76Å; C3-C61 WeakPolarHBondContact CB-SG 3.41Å; C3-C61 VanDerWaalsContact SG-CA 3.51Å; C3-C61 WeakPolarHBondContact SG-CB 3.37Å; C3-C61 CovalentContact SG-SG 2.03Å; C3-C61 PolarHBondContact SG-SG 3.47Å; C61-D63 PolarHBondContact O-N 2.77Å; C61-R69 PolarHBondContact O-NH1 2.79Å; C61-R69 VanDerWaalsContact O-NH1 3.1Å; C61-L97 HydrophobicContact CB-CB 3.55Å; C61-L97 VanDerWaalsContact SG-C 3.55Å
62H87.8Confident88.5Confident134 Ų13443 Ų4362%0.6224%0.238SC*.THydrogen-bonded Turntrans51.129.6-171.1-63.7-76.1000113.8C3 S4 D60 E98C3-H62 VanDerWaalsContact SG-CD2 3.6Å; S4-H62 PolarHBondContact OG-NE2 3.13Å; D60-H62 PolarHBondContact O-N 2.94Å; H62-E98 IonicContact NE2-OE1 3.94Å
63D81.6Confident88.8Confident22 Ų2241.7 Ų41.712%0.11823%0.23CC..  trans-10393.8-177.2-159.223.2000110.7D60 C61 K65 R69 R106D60-D63 HydrophobicContact CB-CB 4.23Å; D60-D63 PolarHBondContact O-N 2.85Å; C61-D63 PolarHBondContact O-N 2.77Å; D63-K65 PolarHBondContact O-N 3.24Å; D63-R69 HydrophobicContact CB-CG 4.14Å; D63-R69 VanDerWaalsContact OD2-CG 3.29Å; D63-R69 WeakPolarHBondContact OD2-CG 3.2Å; D63-R106 IonicContact OD1-CZ 2.71Å; D63-R106 IonicContact OD1-NH1 3.49Å; D63-R106 PolarHBondContact OD1-NH1 3.23Å; D63-R106 IonicContact OD1-NH2 3.28Å; D63-R106 PolarHBondContact OD1-NH2 2.67Å; D63-R106 IonicContact OD2-CZ 3.39Å; D63-R106 VanDerWaalsContact OD2-CZ 3.23Å; D63-R106 IonicContact OD2-NH1 3.28Å; D63-R106 PolarHBondContact OD2-NH1 2.95Å; D63-R106 IonicContact OD2-NH2 3.31Å; D63-R106 PolarHBondContact OD2-NH2 2.88Å
64G81.4Confident88.9Confident87 Ų8747.6 Ų47.690%0.89726%0.262SS*.  trans-85.616.4177.700000114.1
65K84.7Confident89Confident136 Ų13648.6 Ų48.659%0.59127%0.266SS*.SBendtrans-111.4153.3-174-74.2176-172.5175.40109.7D63 R106D63-K65 PolarHBondContact O-N 3.24Å; K65-R106 PolarHBondContact O-NH2 3.27Å
66P83.1Confident89Confident110 Ų11050.5 Ų50.571%0.71428%0.279SS*.SBendtrans-60154.7169.825.5-31.9000110.1R106P66-R106 PolarHBondContact O-NH2 2.8Å
67C88.1Confident89Confident40 Ų4055.1 Ų55.127%0.2730%0.299SS..SBendtrans71.8153.6-174.7-37.70000113.2R106 N107 C108C67-R106 PolarHBondContact O-NH2 2.67Å; C67-N107 WeakPolarHBondContact CA-O 3.5Å; C67-N107 VanDerWaalsContact CB-O 3.22Å; C67-N107 WeakPolarHBondContact CB-O 3.26Å; C67-C108 HydrophobicContact CB-CB 3.81Å; C67-C108 WeakPolarHBondContact CB-SG 3.47Å; C67-C108 WeakPolarHBondContact SG-CA 3.12Å; C67-C108 WeakPolarHBondContact SG-CB 3.44Å; C67-C108 CovalentContact SG-SG 2.01Å; C67-C108 PolarHBondContact SG-SG 2.98Å
68Q89.1Confident89.1Confident39 Ų3963.1 Ų63.118%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-92148.8-179.3-52.7-162.2-6700112D60 R106 N107D60-Q68 WeakPolarHBondContact OD1-CA 3.49Å; D60-Q68 WeakPolarHBondContact OD1-CB 2.99Å; D60-Q68 VanDerWaalsContact OD1-CG 3.32Å; D60-Q68 WeakPolarHBondContact OD1-CG 3.26Å; D60-Q68 PolarHBondContact OD2-NE2 2.65Å; Q68-R106 WeakPolarHBondContact O-CA 3.38Å; Q68-N107 PolarHBondContact N-O 3.5Å; Q68-N107 VanDerWaalsContact N-O 3.15Å; Q68-N107 PolarHBondContact O-N 3.42Å
69R91.7Very high89.2Confident4 Ų464.5 Ų64.52%0.01534%0.335CS..EExtended strand (participates in β ladder)trans-67133.9166.6-58.4171.668.6-160.7-9.6108.3Y58 H59 C61 D63 L97 A99 E104Y58-R69 CarbonylContact C-O 3.56Å; Y58-R69 VanDerWaalsContact CA-O 3.27Å; Y58-R69 WeakPolarHBondContact CA-O 3.26Å; H59-R69 PolarHBondContact N-O 3.06Å; H59-R69 WeakPolarHBondContact O-CB 3.44Å; H59-R69 PolarHBondContact O-N 3Å; C61-R69 PolarHBondContact O-NH1 2.79Å; C61-R69 VanDerWaalsContact O-NH1 3.1Å; D63-R69 HydrophobicContact CB-CG 4.14Å; D63-R69 VanDerWaalsContact OD2-CG 3.29Å; D63-R69 WeakPolarHBondContact OD2-CG 3.2Å; R69-L97 PolarHBondContact NH1-O 2.72Å; R69-L97 VanDerWaalsContact NH1-O 3.12Å; R69-A99 PolarHBondContact NH2-O 3.27Å; R69-E104 HydrophobicContact CB-CG 4.48Å; R69-E104 IonicContact CZ-OE1 2.65Å; R69-E104 IonicContact CZ-OE2 3.32Å; R69-E104 VanDerWaalsContact NE-CD 3.35Å; R69-E104 IonicContact NE-OE1 2.63Å; R69-E104 PolarHBondContact NE-OE1 2.89Å; R69-E104 IonicContact NE-OE2 2.72Å; R69-E104 PolarHBondContact NE-OE2 2.96Å; R69-E104 IonicContact NH2-OE1 2.78Å; R69-E104 PolarHBondContact NH2-OE1 3.49Å; R69-E104 IonicContact NH2-OE2 3.21Å; R69-E104 PolarHBondContact NH2-OE2 2.97Å
70R90.9Very high89.2Confident36 Ų3667 Ų6714%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-120.8118.6-179.8-179.2169.569.7-163.7-3.3110.9I57 Y58 K72 E105 N107I57-R70 CarbonylContact O-C 3.55Å; I57-R70 VanDerWaalsContact O-CA 3.31Å; I57-R70 WeakPolarHBondContact O-CA 3.36Å; Y58-R70 HydrophobicContact CD1-CB 4.24Å; Y58-R70 HydrophobicContact CD1-CG 4.3Å; Y58-R70 HydrophobicContact CE1-CB 4.26Å; Y58-R70 VanDerWaalsContact CE1-CD 3.41Å; Y58-R70 HydrophobicContact CE1-CG 4Å; Y58-R70 HydrophobicContact CE2-CG 4.41Å; Y58-R70 VanDerWaalsContact OH-CD 3.3Å; Y58-R70 WeakPolarHBondContact OH-CD 3.48Å; Y58-R70 PolarHBondContact OH-NH1 3.48Å; R70-K72 HydrophobicContact CG-CG 4.34Å; R70-E105 HydrophobicContact CB-CB 4.48Å; R70-E105 IonicContact CZ-OE2 2.57Å; R70-E105 VanDerWaalsContact CZ-OE2 3.28Å; R70-E105 PolarHBondContact N-O 3.29Å; R70-E105 IonicContact NE-OE2 2.72Å; R70-E105 PolarHBondContact NE-OE2 2.91Å; R70-E105 VanDerWaalsContact NE-OE2 3.14Å; R70-E105 IonicContact NH2-OE2 2.81Å; R70-E105 PolarHBondContact NH2-OE2 2.79Å; R70-E105 PolarHBondContact O-N 3.49Å; R70-E105 VanDerWaalsContact O-N 3.08Å; R70-N107 PolarHBondContact NH1-OD1 2.89Å
71W92.1Very high89.3Confident3 Ų365.5 Ų65.51%0.01134%0.341CS..EExtended strand (participates in β ladder)trans-94.8143.7164.3-58.7-7.5000109.8K56 I57 H59 M95 N96 L97 A99 M101 E104K56-W71 CarbonylContact C-O 3.58Å; K56-W71 VanDerWaalsContact CA-O 3.26Å; K56-W71 WeakPolarHBondContact CA-O 3.38Å; I57-W71 HydrophobicContact CB-CB 4.22Å; I57-W71 PolarHBondContact N-O 2.63Å; I57-W71 PolarHBondContact O-N 2.78Å; H59-W71 AromaticContact CE1-NE1 3.91Å; H59-W71 AromaticContact NE2-CD1 3.64Å; H59-W71 AromaticContact NE2-CD2 3.93Å; H59-W71 AromaticContact NE2-CE2 3.33Å; H59-W71 VanDerWaalsContact NE2-CE2 3.33Å; H59-W71 AromaticContact NE2-CZ2 3.77Å; H59-W71 AromaticContact NE2-NE1 3.13Å; H59-W71 PolarHBondContact NE2-NE1 3.14Å; H59-W71 VanDerWaalsContact NE2-NE1 3.13Å; W71-M95 HydrophobicContact CE3-CE 4.44Å; W71-M95 HydrophobicContact CZ3-CB 4.16Å; W71-M95 HydrophobicContact CZ3-CE 3.81Å; W71-N96 WeakPolarHBondContact CH2-O 3.46Å; W71-L97 HydrophobicContact CE3-CD2 4.42Å; W71-L97 HydrophobicContact CH2-CD2 3.9Å; W71-L97 HydrophobicContact CZ2-CD2 4.26Å; W71-L97 HydrophobicContact CZ3-CD2 3.98Å; W71-A99 HydrophobicContact CH2-CB 4.08Å; W71-A99 HydrophobicContact CZ2-CB 4.11Å; W71-A99 WeakPolarHBondContact CZ2-O 3.26Å; W71-M101 HydrophobicContact CD2-CE 4.04Å; W71-M101 HydrophobicContact CD2-CG 3.75Å; W71-M101 HydrophobicContact CE3-CE 3.7Å; W71-M101 HydrophobicContact CE3-CG 4.35Å; W71-M101 HydrophobicContact CG-CG 3.85Å; W71-M101 HydrophobicContact CH2-CE 3.83Å; W71-M101 HydrophobicContact CZ2-CE 4.19Å; W71-M101 HydrophobicContact CZ2-CG 4.28Å; W71-M101 HydrophobicContact CZ3-CE 3.57Å; W71-E104 PolarHBondContact NE1-OE2 3.09Å
72K89.8Confident89.2Confident87 Ų8769.2 Ų69.238%0.37837%0.365SS..EExtended strand (participates in β ladder)trans-123.8134.2173.5-65-179.5176.21680108.8V54 L55 K56 R70 E105V54-K72 HydrophobicContact CG1-CB 4.18Å; L55-K72 CarbonylContact O-C 3.57Å; L55-K72 WeakPolarHBondContact O-CA 2.88Å; K56-K72 HydrophobicContact CG-CG 4.24Å; R70-K72 HydrophobicContact CG-CG 4.34Å; K72-E105 WeakPolarHBondContact CE-OE2 3.23Å; K72-E105 IonicContact NZ-OE1 3.51Å; K72-E105 PolarHBondContact NZ-OE1 2.85Å; K72-E105 IonicContact NZ-OE2 3.14Å; K72-E105 PolarHBondContact NZ-OE2 3.11Å
73M90.5Very high89.1Confident47 Ų4768.2 Ų68.223%0.23237%0.371CS..EExtended strand (participates in β ladder)trans-138.9126.5178.4-67.1174.9-79.400109.4L55 I57 I92L55-M73 HydrophobicContact CB-CB 4.44Å; L55-M73 HydrophobicContact CD2-CE 3.78Å; L55-M73 HydrophobicContact CG-CE 4.15Å; L55-M73 PolarHBondContact N-O 2.94Å; L55-M73 PolarHBondContact O-N 2.81Å; I57-M73 HydrophobicContact CD1-CE 3.37Å; I57-M73 HydrophobicContact CG1-CE 3.94Å; M73-I92 HydrophobicContact CE-CD1 4.4Å
74D90.5Very high89.4Confident130 Ų13075 Ų7570%0.69541%0.407SS*.EExtended strand (participates in β ladder)trans-73.2131.9175.4-57.1-33.2000110
75I91.3Very high90Very high27 Ų2777.9 Ų77.914%0.13840%0.395CS..PPolyproline II helixtrans-89.5124.2173.4-64.2-162000108.9L15 P53 L55 K77 Y79 F90L15-I75 HydrophobicContact CD1-CD1 3.67Å; P53-I75 HydrophobicContact CB-CB 4.25Å; P53-I75 HydrophobicContact CG-CB 3.91Å; P53-I75 HydrophobicContact CG-CG2 4.24Å; P53-I75 PolarHBondContact O-N 2.01Å; L55-I75 HydrophobicContact CB-CD1 4.22Å; L55-I75 HydrophobicContact CB-CG1 4.28Å; I75-K77 PolarHBondContact O-N 2.81Å; I75-Y79 HydrophobicContact CG2-CD2 4.09Å; I75-Y79 HydrophobicContact CG2-CG 4.24Å; I75-F90 HydrophobicContact CB-CD1 4.37Å; I75-F90 HydrophobicContact CD1-CD1 3.71Å; I75-F90 HydrophobicContact CD1-CE1 4.3Å; I75-F90 HydrophobicContact CG1-CD1 3.76Å; I75-F90 HydrophobicContact CG1-CE1 3.91Å; I75-F90 HydrophobicContact CG2-CB 4.46Å; I75-F90 HydrophobicContact CG2-CD1 4.06Å; I75-F90 HydrophobicContact CG2-CG 4.35Å
76P93Very high90.3Very high45 Ų4579.5 Ų79.529%0.29241%0.405SS..PPolyproline II helixtrans-58.6140.8-178.1-26.334.3000113.1R78 Y79P76-R78 HydrophobicContact CB-CG 4.19Å; P76-R78 PolarHBondContact O-N 3.14Å; P76-Y79 HydrophobicContact CB-CD2 3.91Å; P76-Y79 HydrophobicContact CB-CE2 4.06Å; P76-Y79 HydrophobicContact CG-CD2 4.15Å; P76-Y79 HydrophobicContact CG-CE2 4.01Å; P76-Y79 WeakPolarHBondContact O-CD2 3.43Å; P76-Y79 PolarHBondContact O-N 3.15Å
77K89.6Confident90.7Very high109 Ų10975.9 Ų75.947%0.47438%0.381SS..G310 helixtrans-54.4-21.8-177.7-64.4-167175.8-164.70115.7S50 D52 I75 Y79 I80S50-K77 PolarHBondContact OG-NZ 2.87Å; D52-K77 WeakPolarHBondContact OD1-CE 3.3Å; D52-K77 IonicContact OD1-NZ 3.23Å; D52-K77 PolarHBondContact OD1-NZ 2.84Å; D52-K77 IonicContact OD2-NZ 2.85Å; I75-K77 PolarHBondContact O-N 2.81Å; K77-Y79 PolarHBondContact O-N 2.9Å; K77-I80 HydrophobicContact CB-CD1 4.19Å; K77-I80 HydrophobicContact CG-CD1 4.15Å; K77-I80 WeakPolarHBondContact O-CB 3.34Å; K77-I80 PolarHBondContact O-N 2.87Å; K77-I80 VanDerWaalsContact O-N 3.11Å
78R92.9Very high91Very high168 Ų16877.5 Ų77.563%0.63439%0.391SS*.G310 helixtrans-65.9-15.617670177.7-178.2-111.6-1.8114.4P76 I80P76-R78 HydrophobicContact CB-CG 4.19Å; P76-R78 PolarHBondContact O-N 3.14Å; R78-I80 VanDerWaalsContact C-N 3.31Å
79Y94.1Very high91.3Very high46 Ų4680 Ų8018%0.1841%0.409CS..G310 helixtrans-90.81.5175.9-63.6-77.8000112.6I75 P76 K77 P87 P88 V89 F90I75-Y79 HydrophobicContact CG2-CD2 4.09Å; I75-Y79 HydrophobicContact CG2-CG 4.24Å; P76-Y79 HydrophobicContact CB-CD2 3.91Å; P76-Y79 HydrophobicContact CB-CE2 4.06Å; P76-Y79 HydrophobicContact CG-CD2 4.15Å; P76-Y79 HydrophobicContact CG-CE2 4.01Å; P76-Y79 WeakPolarHBondContact O-CD2 3.43Å; P76-Y79 PolarHBondContact O-N 3.15Å; K77-Y79 PolarHBondContact O-N 2.9Å; Y79-P87 WeakPolarHBondContact O-CB 3.39Å; Y79-P88 HydrophobicContact CD1-CB 4.23Å; Y79-P88 HydrophobicContact CD1-CG 3.76Å; Y79-P88 VanDerWaalsContact CD1-O 3.32Å; Y79-P88 WeakPolarHBondContact CD1-O 3.35Å; Y79-P88 HydrophobicContact CE1-CB 4.23Å; Y79-P88 HydrophobicContact CE1-CG 4.1Å; Y79-V89 WeakPolarHBondContact CE1-O 3.32Å; Y79-F90 HydrophobicContact CD1-CB 3.62Å; Y79-F90 HydrophobicContact CD2-CB 3.99Å; Y79-F90 AromaticContact CD2-CD2 3.99Å; Y79-F90 HydrophobicContact CD2-CD2 3.99Å; Y79-F90 HydrophobicContact CD2-CG 4.1Å; Y79-F90 VanDerWaalsContact CE1-CA 3.49Å; Y79-F90 HydrophobicContact CE1-CB 3.71Å; Y79-F90 HydrophobicContact CE1-CD2 4.15Å; Y79-F90 HydrophobicContact CE1-CG 4.39Å; Y79-F90 HydrophobicContact CE2-CB 4.06Å; Y79-F90 AromaticContact CE2-CD2 3.38Å; Y79-F90 HydrophobicContact CE2-CD2 3.38Å; Y79-F90 HydrophobicContact CE2-CE2 4.09Å; Y79-F90 AromaticContact CE2-CG 3.95Å; Y79-F90 HydrophobicContact CE2-CG 3.95Å; Y79-F90 HydrophobicContact CG-CB 3.78Å; Y79-F90 HydrophobicContact CG-CG 4.4Å; Y79-F90 AromaticContact CZ-CD2 3.48Å; Y79-F90 VanDerWaalsContact CZ-CD2 3.48Å
80I90.6Very high91.5Very high56 Ų5682.9 Ų82.929%0.28742%0.422SS..  trans-100.5127.8178.2-55.3162.9000107.3I51 P53 K77 R78I51-I80 HydrophobicContact CD1-CD1 4.1Å; I51-I80 HydrophobicContact CD1-CG1 4.07Å; I51-I80 HydrophobicContact CD1-CG2 3.76Å; I51-I80 HydrophobicContact CG1-CD1 3.88Å; I51-I80 HydrophobicContact CG1-CG1 4.29Å; I51-I80 HydrophobicContact CG1-CG2 3.66Å; I51-I80 WeakPolarHBondContact O-CD1 3.35Å; P53-I80 HydrophobicContact CG-CD1 3.58Å; P53-I80 HydrophobicContact CG-CG1 3.83Å; K77-I80 HydrophobicContact CB-CD1 4.19Å; K77-I80 HydrophobicContact CG-CD1 4.15Å; K77-I80 WeakPolarHBondContact O-CB 3.34Å; K77-I80 PolarHBondContact O-N 2.87Å; K77-I80 VanDerWaalsContact O-N 3.11Å; R78-I80 VanDerWaalsContact C-N 3.31Å
81V91.7Very high91.7Very high47 Ų4787.3 Ų87.329%0.28545%0.448SS..  trans-133.2157-179.6-60.10000111.3K85 P87V81-K85 HydrophobicContact CB-CB 3.96Å; V81-K85 HydrophobicContact CG2-CB 4Å; V81-K85 WeakPolarHBondContact CG2-O 3.3Å; V81-P87 HydrophobicContact CB-CB 4.46Å; V81-P87 HydrophobicContact CG1-CB 3.97Å; V81-P87 HydrophobicContact CG2-CB 3.73Å; V81-P87 HydrophobicContact CG2-CG 4.01Å
82P89.1Confident91.8Very high80 Ų8088.9 Ų88.952%0.51946%0.456SS..  trans-59.6157.4171.4-22.433.3000112.2N84 K85P82-N84 PolarHBondContact O-N 3.48Å; P82-K85 PolarHBondContact O-N 3.49Å
83P85.4Confident92Very high114 Ų11486.7 Ų86.774%0.7446%0.458SS*.THydrogen-bonded Turntrans-54.4-23.8-173.3-2733.2000115.9
84N88.6Confident92.1Very high163 Ų16389.9 Ų89.987%0.87248%0.48SS*.THydrogen-bonded Turntrans-97.916.1-176.6-59.9-32.9000113.3P82P82-N84 PolarHBondContact O-N 3.48Å
85K92.5Very high92.1Very high148 Ų14885.7 Ų85.764%0.64346%0.457SS*.SBendtrans-129.1149177.1-71.4-168.9177.7-176.90109.6V81 P82V81-K85 HydrophobicContact CB-CB 3.96Å; V81-K85 HydrophobicContact CG2-CB 4Å; V81-K85 WeakPolarHBondContact CG2-O 3.3Å; P82-K85 PolarHBondContact O-N 3.49Å
86Q91.5Very high92.2Very high171 Ų17187.8 Ų87.880%0.79947%0.468SS*.PPolyproline II helixtrans-87.7124.7170.6-167164.431.300109
87P91.7Very high92.2Very high34 Ų3485.6 Ų85.622%0.22145%0.454CS..PPolyproline II helixtrans-68.8150.7175.925.7-29.5000110.2Y79 V81Y79-P87 WeakPolarHBondContact O-CB 3.39Å; V81-P87 HydrophobicContact CB-CB 4.46Å; V81-P87 HydrophobicContact CG1-CB 3.97Å; V81-P87 HydrophobicContact CG2-CB 3.73Å; V81-P87 HydrophobicContact CG2-CG 4.01Å
88P94.9Very high92.3Very high73 Ų7384.3 Ų84.347%0.47445%0.45SS..PPolyproline II helixtrans-60153.716426.2-30.2000109.7Y79Y79-P88 HydrophobicContact CD1-CB 4.23Å; Y79-P88 HydrophobicContact CD1-CG 3.76Å; Y79-P88 VanDerWaalsContact CD1-O 3.32Å; Y79-P88 WeakPolarHBondContact CD1-O 3.35Å; Y79-P88 HydrophobicContact CE1-CB 4.23Å; Y79-P88 HydrophobicContact CE1-CG 4.1Å
89V95.5Very high92.1Very high92 Ų9278.4 Ų78.456%0.55844%0.437SS*.PPolyproline II helixtrans-78127.2176.4178.30000109.6Y40 Y79 D91Y40-V89 HydrophobicContact CE2-CG1 4.46Å; Y40-V89 HydrophobicContact CE2-CG2 4.11Å; Y79-V89 WeakPolarHBondContact CE1-O 3.32Å; V89-D91 PolarHBondContact O-N 3.31Å
90F95.1Very high91.8Very high65 Ų6583.4 Ų83.429%0.28546%0.457SS..  trans-85.291.8167.4-177.9-129.3000109.6I75 Y79 I92I75-F90 HydrophobicContact CB-CD1 4.37Å; I75-F90 HydrophobicContact CD1-CD1 3.71Å; I75-F90 HydrophobicContact CD1-CE1 4.3Å; I75-F90 HydrophobicContact CG1-CD1 3.76Å; I75-F90 HydrophobicContact CG1-CE1 3.91Å; I75-F90 HydrophobicContact CG2-CB 4.46Å; I75-F90 HydrophobicContact CG2-CD1 4.06Å; I75-F90 HydrophobicContact CG2-CG 4.35Å; Y79-F90 HydrophobicContact CD1-CB 3.62Å; Y79-F90 HydrophobicContact CD2-CB 3.99Å; Y79-F90 AromaticContact CD2-CD2 3.99Å; Y79-F90 HydrophobicContact CD2-CD2 3.99Å; Y79-F90 HydrophobicContact CD2-CG 4.1Å; Y79-F90 VanDerWaalsContact CE1-CA 3.49Å; Y79-F90 HydrophobicContact CE1-CB 3.71Å; Y79-F90 HydrophobicContact CE1-CD2 4.15Å; Y79-F90 HydrophobicContact CE1-CG 4.39Å; Y79-F90 HydrophobicContact CE2-CB 4.06Å; Y79-F90 AromaticContact CE2-CD2 3.38Å; Y79-F90 HydrophobicContact CE2-CD2 3.38Å; Y79-F90 HydrophobicContact CE2-CE2 4.09Å; Y79-F90 AromaticContact CE2-CG 3.95Å; Y79-F90 HydrophobicContact CE2-CG 3.95Å; Y79-F90 HydrophobicContact CG-CB 3.78Å; Y79-F90 HydrophobicContact CG-CG 4.4Å; Y79-F90 AromaticContact CZ-CD2 3.48Å; Y79-F90 VanDerWaalsContact CZ-CD2 3.48Å; F90-I92 HydrophobicContact CD1-CG2 3.89Å; F90-I92 HydrophobicContact CE1-CG2 3.58Å; F90-I92 HydrophobicContact CZ-CG2 4.11Å; F90-I92 PolarHBondContact O-N 3.44Å
91D95.9Very high91.8Very high128 Ų12884.1 Ų84.168%0.68446%0.46SS*.  trans-81112.6177-171.8-5.4000110.3V89 G93V89-D91 PolarHBondContact O-N 3.31Å; D91-G93 VanDerWaalsContact C-N 3.26Å; D91-G93 WeakPolarHBondContact OD1-CA 3.35Å; D91-G93 PolarHBondContact OD1-N 3.32Å
92I93.2Very high91.6Very high37 Ų3791 Ų9119%0.1949%0.488CS..  trans-82.6-5.7175.568.8161.4000112.8M1 F39 L55 I57 M73 F90 M95M1-I92 HydrophobicContact SD-CD1 4.33Å; F39-I92 HydrophobicContact CE1-CD1 3.99Å; F39-I92 HydrophobicContact CE1-CG1 4.45Å; F39-I92 HydrophobicContact CZ-CD1 3.54Å; F39-I92 HydrophobicContact CZ-CG1 3.9Å; L55-I92 HydrophobicContact CD2-CD1 4.16Å; L55-I92 HydrophobicContact CD2-CG2 4.21Å; I57-I92 HydrophobicContact CD1-CD1 4.18Å; M73-I92 HydrophobicContact CE-CD1 4.4Å; F90-I92 HydrophobicContact CD1-CG2 3.89Å; F90-I92 HydrophobicContact CE1-CG2 3.58Å; F90-I92 HydrophobicContact CZ-CG2 4.11Å; F90-I92 PolarHBondContact O-N 3.44Å; I92-M95 HydrophobicContact CD1-CG 4.03Å
93G94.3Very high91.5Very high41 Ų4195.2 Ų95.242%0.42350%0.501SS..  trans71.9-154.9-17600000113.6D91D91-G93 VanDerWaalsContact C-N 3.26Å; D91-G93 WeakPolarHBondContact OD1-CA 3.35Å; D91-G93 PolarHBondContact OD1-N 3.32Å
94V92.2Very high91.7Very high113 Ų11391.6 Ų91.669%0.68547%0.474SS*.  trans-97.9113.7179.3-178.10000109.7L2L2-V94 HydrophobicContact CD1-CG1 3.62Å; L2-V94 HydrophobicContact CG-CG1 3.95Å
95M91.4Very high91.7Very high43 Ų4387.3 Ų87.321%0.21245%0.448CS..  trans-98.3138.7176.2-54.7-67.7-77.900111.7M1 L2 W71 I92 M101M1-M95 HydrophobicContact CE-CB 3.74Å; M1-M95 HydrophobicContact CE-CG 4.31Å; M1-M95 HydrophobicContact SD-CB 3.64Å; M1-M95 HydrophobicContact SD-CG 3.97Å; L2-M95 PolarHBondContact N-O 2.88Å; W71-M95 HydrophobicContact CE3-CE 4.44Å; W71-M95 HydrophobicContact CZ3-CB 4.16Å; W71-M95 HydrophobicContact CZ3-CE 3.81Å; I92-M95 HydrophobicContact CD1-CG 4.03Å; M95-M101 HydrophobicContact CE-CE 3.64Å
96N92.7Very high91.6Very high70 Ų7084 Ų8437%0.37443%0.432SS..BIsolated β-bridgetrans-94.2112.3167.1-174.6-8.4000109.9L2 W71 E98 A99L2-N96 CarbonylContact O-C 3.59Å; L2-N96 WeakPolarHBondContact O-CA 3.28Å; L2-N96 PolarHBondContact O-OD1 2.82Å; W71-N96 WeakPolarHBondContact CH2-O 3.46Å; N96-E98 PolarHBondContact O-N 3.25Å; N96-E98 WeakPolarHBondContact OD1-CB 3.41Å; N96-E98 PolarHBondContact OD1-N 2.88Å; N96-E98 VanDerWaalsContact OD1-N 3.08Å; N96-A99 WeakPolarHBondContact O-CB 3.34Å; N96-A99 PolarHBondContact O-N 2.83Å
97L92.7Very high91.2Very high0 Ų077.1 Ų77.10%040%0.401CS..THydrogen-bonded Turntrans-68.5-8.4-176.6-68.6172.6000114M1 L2 Q8 L11 I57 H59 C61 R69 W71 A99M1-L97 HydrophobicContact CB-CD1 4.21Å; M1-L97 HydrophobicContact CE-CD1 4.33Å; M1-L97 HydrophobicContact CE-CD2 3.3Å; M1-L97 HydrophobicContact CE-CG 3.88Å; L2-L97 WeakPolarHBondContact O-CB 3.46Å; L2-L97 PolarHBondContact O-N 3.06Å; Q8-L97 HydrophobicContact CB-CD1 4.08Å; Q8-L97 HydrophobicContact CG-CD1 3.75Å; L11-L97 HydrophobicContact CD1-CD1 4.25Å; L11-L97 HydrophobicContact CD1-CD2 4.45Å; I57-L97 HydrophobicContact CG2-CD2 4.21Å; H59-L97 HydrophobicContact CB-CD1 4.13Å; H59-L97 HydrophobicContact CB-CD2 4.21Å; H59-L97 PolarHBondContact CE1-O 2.57Å; H59-L97 VanDerWaalsContact CE1-O 3.24Å; C61-L97 HydrophobicContact CB-CB 3.55Å; C61-L97 VanDerWaalsContact SG-C 3.55Å; R69-L97 PolarHBondContact NH1-O 2.72Å; R69-L97 VanDerWaalsContact NH1-O 3.12Å; W71-L97 HydrophobicContact CE3-CD2 4.42Å; W71-L97 HydrophobicContact CH2-CD2 3.9Å; W71-L97 HydrophobicContact CZ2-CD2 4.26Å; W71-L97 HydrophobicContact CZ3-CD2 3.98Å; L97-A99 PolarHBondContact O-N 2.89Å
98E91.5Very high90.7Very high81 Ų8179.8 Ų79.838%0.37942%0.419SS..THydrogen-bonded Turntrans-65.3-24.7168.9-75.7178.9-141.300113.1S4 H62 N96 Y100S4-E98 WeakPolarHBondContact CA-OE1 3.16Å; S4-E98 VanDerWaalsContact CB-OE1 3.26Å; S4-E98 WeakPolarHBondContact CB-OE1 2.7Å; S4-E98 PolarHBondContact N-OE1 2.9Å; S4-E98 PolarHBondContact OG-OE1 2.85Å; H62-E98 IonicContact NE2-OE1 3.94Å; N96-E98 PolarHBondContact O-N 3.25Å; N96-E98 WeakPolarHBondContact OD1-CB 3.41Å; N96-E98 PolarHBondContact OD1-N 2.88Å; N96-E98 VanDerWaalsContact OD1-N 3.08Å; E98-Y100 PolarHBondContact O-N 2.86Å
99A90.1Very high89.2Confident44 Ų4486 Ų8636%0.36445%0.446SS..PPolyproline II helixtrans-57.6140.7-179.200000110.9R69 W71 N96 L97R69-A99 PolarHBondContact NH2-O 3.27Å; W71-A99 HydrophobicContact CH2-CB 4.08Å; W71-A99 HydrophobicContact CZ2-CB 4.11Å; W71-A99 WeakPolarHBondContact CZ2-O 3.26Å; N96-A99 WeakPolarHBondContact O-CB 3.34Å; N96-A99 PolarHBondContact O-N 2.83Å; L97-A99 PolarHBondContact O-N 2.89Å
100Y87.7Confident88.9Confident152 Ų15285.7 Ų85.760%0.59644%0.441SS*.PPolyproline II helixtrans-98.2116.8166.5-98.4-88.9000108.5E98 E104E98-Y100 PolarHBondContact O-N 2.86Å; Y100-E104 VanDerWaalsContact CE1-OE1 3.23Å; Y100-E104 WeakPolarHBondContact CE1-OE1 3.34Å
101M89.2Confident88.5Confident71 Ų7186.8 Ų86.835%0.3545%0.449SS..PPolyproline II helixtrans-78.5139173.8-63.3-66179.400109.2W71 M95 H103 E104W71-M101 HydrophobicContact CD2-CE 4.04Å; W71-M101 HydrophobicContact CD2-CG 3.75Å; W71-M101 HydrophobicContact CE3-CE 3.7Å; W71-M101 HydrophobicContact CE3-CG 4.35Å; W71-M101 HydrophobicContact CG-CG 3.85Å; W71-M101 HydrophobicContact CH2-CE 3.83Å; W71-M101 HydrophobicContact CZ2-CE 4.19Å; W71-M101 HydrophobicContact CZ2-CG 4.28Å; W71-M101 HydrophobicContact CZ3-CE 3.57Å; M95-M101 HydrophobicContact CE-CE 3.64Å; M101-H103 PolarHBondContact O-N 2.58Å; M101-E104 HydrophobicContact CB-CB 4.16Å; M101-E104 VanDerWaalsContact O-CB 3.25Å; M101-E104 WeakPolarHBondContact O-CB 3.44Å; M101-E104 PolarHBondContact O-N 2.9Å
102H88Confident88.1Confident191 Ų19184.5 Ų84.588%0.88444%0.436SS*.THydrogen-bonded Turntrans-57.7-26-178.1-75.9-68.1000114
103H87.9Confident87.8Confident169 Ų16987.3 Ų87.378%0.78245%0.45SS*.THydrogen-bonded Turntrans-117.930.9178.2-57.1-10.8000110.6M101 E105M101-H103 PolarHBondContact O-N 2.58Å; H103-E105 PolarHBondContact O-N 3.42Å
104E88.6Confident87.4Confident38 Ų3890.2 Ų90.218%0.17845%0.452CS..  trans-62132170.9-178.5174109.800110.1R69 W71 Y100 M101R69-E104 HydrophobicContact CB-CG 4.48Å; R69-E104 IonicContact CZ-OE1 2.65Å; R69-E104 IonicContact CZ-OE2 3.32Å; R69-E104 VanDerWaalsContact NE-CD 3.35Å; R69-E104 IonicContact NE-OE1 2.63Å; R69-E104 PolarHBondContact NE-OE1 2.89Å; R69-E104 IonicContact NE-OE2 2.72Å; R69-E104 PolarHBondContact NE-OE2 2.96Å; R69-E104 IonicContact NH2-OE1 2.78Å; R69-E104 PolarHBondContact NH2-OE1 3.49Å; R69-E104 IonicContact NH2-OE2 3.21Å; R69-E104 PolarHBondContact NH2-OE2 2.97Å; W71-E104 PolarHBondContact NE1-OE2 3.09Å; Y100-E104 VanDerWaalsContact CE1-OE1 3.23Å; Y100-E104 WeakPolarHBondContact CE1-OE1 3.34Å; M101-E104 HydrophobicContact CB-CB 4.16Å; M101-E104 VanDerWaalsContact O-CB 3.25Å; M101-E104 WeakPolarHBondContact O-CB 3.44Å; M101-E104 PolarHBondContact O-N 2.9Å
105E89.6Confident87.1Confident72 Ų7288.7 Ų88.734%0.33644%0.437SS..EExtended strand (participates in β ladder)trans-109.2170.8174.8-63.9172.5-171.800109.7R70 K72 H103R70-E105 HydrophobicContact CB-CB 4.48Å; R70-E105 IonicContact CZ-OE2 2.57Å; R70-E105 VanDerWaalsContact CZ-OE2 3.28Å; R70-E105 PolarHBondContact N-O 3.29Å; R70-E105 IonicContact NE-OE2 2.72Å; R70-E105 PolarHBondContact NE-OE2 2.91Å; R70-E105 VanDerWaalsContact NE-OE2 3.14Å; R70-E105 IonicContact NH2-OE2 2.81Å; R70-E105 PolarHBondContact NH2-OE2 2.79Å; R70-E105 PolarHBondContact O-N 3.49Å; R70-E105 VanDerWaalsContact O-N 3.08Å; K72-E105 WeakPolarHBondContact CE-OE2 3.23Å; K72-E105 IonicContact NZ-OE1 3.51Å; K72-E105 PolarHBondContact NZ-OE1 2.85Å; K72-E105 IonicContact NZ-OE2 3.14Å; K72-E105 PolarHBondContact NZ-OE2 3.11Å; H103-E105 PolarHBondContact O-N 3.42Å
106R89.2Confident86.8Confident79 Ų7991.9 Ų91.930%0.29845%0.453SS..EExtended strand (participates in β ladder)trans-117.7137.8167.3-64.1-174.275.9955.5109.6D63 K65 P66 C67 Q68D63-R106 IonicContact OD1-CZ 2.71Å; D63-R106 IonicContact OD1-NH1 3.49Å; D63-R106 PolarHBondContact OD1-NH1 3.23Å; D63-R106 IonicContact OD1-NH2 3.28Å; D63-R106 PolarHBondContact OD1-NH2 2.67Å; D63-R106 IonicContact OD2-CZ 3.39Å; D63-R106 VanDerWaalsContact OD2-CZ 3.23Å; D63-R106 IonicContact OD2-NH1 3.28Å; D63-R106 PolarHBondContact OD2-NH1 2.95Å; D63-R106 IonicContact OD2-NH2 3.31Å; D63-R106 PolarHBondContact OD2-NH2 2.88Å; K65-R106 PolarHBondContact O-NH2 3.27Å; P66-R106 PolarHBondContact O-NH2 2.8Å; C67-R106 PolarHBondContact O-NH2 2.67Å; Q68-R106 WeakPolarHBondContact O-CA 3.38Å
107N84.3Confident86.4Confident26 Ų2693.6 Ų93.614%0.13946%0.459CS..EExtended strand (participates in β ladder)trans-111.1112.2178.1-167.967.2000111.1Y58 C67 Q68 R70 I109Y58-N107 HydrophobicContact CD1-CB 3.84Å; Y58-N107 HydrophobicContact CE1-CB 3.45Å; Y58-N107 VanDerWaalsContact CE1-CB 3.45Å; C67-N107 WeakPolarHBondContact CA-O 3.5Å; C67-N107 VanDerWaalsContact CB-O 3.22Å; C67-N107 WeakPolarHBondContact CB-O 3.26Å; Q68-N107 PolarHBondContact N-O 3.5Å; Q68-N107 VanDerWaalsContact N-O 3.15Å; Q68-N107 PolarHBondContact O-N 3.42Å; R70-N107 PolarHBondContact NH1-OD1 2.89Å; N107-I109 WeakPolarHBondContact OD1-CD1 3.13Å; N107-I109 WeakPolarHBondContact OD1-CG1 3.18Å
108C81.2Confident85.8Confident91 Ų91101.4 Ų101.462%0.61550%0.497SS*.  trans-10423.8-175.9-64.60000113.5C67C67-C108 HydrophobicContact CB-CB 3.81Å; C67-C108 WeakPolarHBondContact CB-SG 3.47Å; C67-C108 WeakPolarHBondContact SG-CA 3.12Å; C67-C108 WeakPolarHBondContact SG-CB 3.44Å; C67-C108 CovalentContact SG-SG 2.01Å; C67-C108 PolarHBondContact SG-SG 2.98Å
109I62.8Low85.3Confident203 Ų203103.3 Ų103.3100%1.04151%0.508SS*.  trans-103.60-169.6-39.3175.7000109.1N107N107-I109 WeakPolarHBondContact OD1-CD1 3.13Å; N107-I109 WeakPolarHBondContact OD1-CG1 3.18Å

Retrieved 109 of 109 residues in 221.9 ms (Link to these results)

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