A0A087X8I4_POEFO Loading...

Glycoprotein hormones alpha chain

Functions as a heterodimeric glycoprotein hormone with GPHB5 able to bind and activate the thyroid-stimulating hormone receptor (TSHR), leading to increased cAMP production. Plays a central role in controlling thyroid cell metabolism.

AlphaFold DB , UniProt , Accession A0A087X8I4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 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
1M55Low71.4Confident202 Ų202115.5 Ų115.5100%0.99562%0.616SS**  0-51.30-121.3-178.5164.600112.9Q3 S4 I5M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.73Å; M1-S4 PolarHBondContact O-N 3.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 2.79Å
2L56.6Low72.6Confident152 Ų152110.5 Ų110.580%0.79660%0.603SS**Hα-helixtrans-57.5-37.7-179-82.983.4000114.9S4 I5 S6L2-S4 PolarHBondContact O-N 3.17Å; L2-I5 PolarHBondContact O-N 3Å; L2-S6 PolarHBondContact O-N 2.92Å; L2-S6 VanDerWaalsContact O-N 3.1Å
3Q60.5Low73.5Confident154 Ų154110.4 Ų110.472%0.7260%0.601SS**Hα-helixtrans-69.2-35.8-177-153.7150.6-8.100112.6M1 S6 H7M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.73Å; Q3-S6 PolarHBondContact O-N 2.88Å; Q3-H7 PolarHBondContact O-CD2 2.89Å; Q3-H7 PolarHBondContact O-N 3.06Å
4S61.8Low74.1Confident74 Ų74109.8 Ų109.852%0.51759%0.594SS.*Hα-helixtrans-68.1-37.5175.2-178.50000111.6M1 L2 H7 I8M1-S4 PolarHBondContact O-N 3.28Å; L2-S4 PolarHBondContact O-N 3.17Å; S4-H7 PolarHBondContact O-N 2.04Å; S4-I8 WeakPolarHBondContact O-CD1 3.41Å; S4-I8 VanDerWaalsContact O-CG1 3.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.43Å; S4-I8 PolarHBondContact O-N 2.86Å; S4-I8 VanDerWaalsContact O-N 3.11Å
5I68.8Low74.5Confident98 Ų98106.3 Ų106.350%0.50358%0.581SS.*Hα-helixtrans-65.3-39.8176-61.2166.1000110.9M1 L2 I8 C9M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 2.79Å; L2-I5 PolarHBondContact O-N 3Å; I5-I8 PolarHBondContact O-N 2.89Å; I5-C9 PolarHBondContact O-N 2.92Å
6S76.2Confident74.9Confident65 Ų65105.4 Ų105.446%0.45558%0.575SS.*Hα-helixtrans-61.9-45176.8-175.10000112.5L2 Q3 I8 C9 L10L2-S6 PolarHBondContact O-N 2.92Å; L2-S6 VanDerWaalsContact O-N 3.1Å; Q3-S6 PolarHBondContact O-N 2.88Å; S6-I8 PolarHBondContact O-N 2.99Å; S6-C9 PolarHBondContact O-N 3.14Å; S6-L10 WeakPolarHBondContact O-CB 3.5Å; S6-L10 PolarHBondContact O-N 2.76Å
7H76.9Confident75Confident114 Ų114104.9 Ų104.953%0.52857%0.571SS.*Hα-helixtrans-65.4-38.1177-75.3-68000112.7Q3 S4 L10 L11Q3-H7 PolarHBondContact O-CD2 2.89Å; Q3-H7 PolarHBondContact O-N 3.06Å; S4-H7 PolarHBondContact O-N 2.04Å; H7-L10 PolarHBondContact O-N 3.01Å; H7-L11 WeakPolarHBondContact O-CB 3.41Å; H7-L11 VanDerWaalsContact O-CG 3.27Å; H7-L11 WeakPolarHBondContact O-CG 3.34Å; H7-L11 PolarHBondContact O-N 2.88Å
8I81.6Confident74.9Confident106 Ų106104.8 Ų104.854%0.54457%0.569SS.*Hα-helixtrans-64.6-44.5176.4-66.7163.4000110.5S4 I5 S6 L10 L11 A12S4-I8 WeakPolarHBondContact O-CD1 3.41Å; S4-I8 VanDerWaalsContact O-CG1 3.23Å; S4-I8 WeakPolarHBondContact O-CG1 3.43Å; S4-I8 PolarHBondContact O-N 2.86Å; S4-I8 VanDerWaalsContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 2.89Å; S6-I8 PolarHBondContact O-N 2.99Å; I8-L10 PolarHBondContact O-N 3.18Å; I8-L11 PolarHBondContact O-N 3.41Å; I8-A12 WeakPolarHBondContact O-CB 3.44Å; I8-A12 PolarHBondContact O-N 2.8Å
9C79.8Confident74.6Confident81 Ų81105.8 Ų105.855%0.54757%0.573SS.*Hα-helixtrans-62.5-42175.6-82.60000112.5I5 S6 A12 L13I5-C9 PolarHBondContact O-N 2.92Å; S6-C9 PolarHBondContact O-N 3.14Å; C9-A12 PolarHBondContact O-N 3.22Å; C9-L13 WeakPolarHBondContact O-CB 3.27Å; C9-L13 PolarHBondContact O-N 2.95Å
10L83.4Confident74Confident101 Ų101107.8 Ų107.853%0.52958%0.576SS.*Hα-helixtrans-62.6-43.5177.1-110.2142.4000112S6 H7 I8 L13 M14S6-L10 WeakPolarHBondContact O-CB 3.5Å; S6-L10 PolarHBondContact O-N 2.76Å; H7-L10 PolarHBondContact O-N 3.01Å; I8-L10 PolarHBondContact O-N 3.18Å; L10-L13 PolarHBondContact O-N 3.12Å; L10-M14 VanDerWaalsContact O-CG 3.32Å; L10-M14 WeakPolarHBondContact O-CG 3.4Å; L10-M14 PolarHBondContact O-N 2.76Å
11L84.8Confident73.3Confident123 Ų123106 Ų10664%0.64457%0.573SS**Hα-helixtrans-65.9-39.4176.6-71.6168.1000112H7 I8 M14 S15H7-L11 WeakPolarHBondContact O-CB 3.41Å; H7-L11 VanDerWaalsContact O-CG 3.27Å; H7-L11 WeakPolarHBondContact O-CG 3.34Å; H7-L11 PolarHBondContact O-N 2.88Å; I8-L11 PolarHBondContact O-N 3.41Å; L11-M14 PolarHBondContact O-N 3.39Å; L11-S15 WeakPolarHBondContact O-CB 3.06Å; L11-S15 PolarHBondContact O-N 2.91Å; L11-S15 PolarHBondContact O-OG 2.94Å
12A85.7Confident73.4Confident56 Ų56103 Ų10346%0.46356%0.56SS.*Hα-helixtrans-63.9-40.5174.500000112I8 C9 S15 L16I8-A12 WeakPolarHBondContact O-CB 3.44Å; I8-A12 PolarHBondContact O-N 2.8Å; C9-A12 PolarHBondContact O-N 3.22Å; A12-S15 VanDerWaalsContact CA-OG 3.32Å; A12-S15 WeakPolarHBondContact CA-OG 3.08Å; A12-S15 PolarHBondContact O-OG 2.8Å; A12-L16 VanDerWaalsContact O-CB 3.32Å; A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 PolarHBondContact O-N 2.73Å
13L84.7Confident73.3Confident109 Ų10999.2 Ų99.257%0.57156%0.557SS**Hα-helixtrans-66.6-43.2177.4-149.393.2000111.6C9 L10 L16 L17C9-L13 WeakPolarHBondContact O-CB 3.27Å; C9-L13 PolarHBondContact O-N 2.95Å; L10-L13 PolarHBondContact O-N 3.12Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L17 HydrophobicContact CD2-CD1 4.44Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.9Å
14M81.3Confident72.6Confident102 Ų102102.3 Ų102.350%0.50256%0.563SS.*Hα-helixtrans-66.6-39.3178.7-72.4-56.5-57.300112.6L10 L11 L17 L18L10-M14 VanDerWaalsContact O-CG 3.32Å; L10-M14 WeakPolarHBondContact O-CG 3.4Å; L10-M14 PolarHBondContact O-N 2.76Å; L11-M14 PolarHBondContact O-N 3.39Å; M14-L17 PolarHBondContact O-N 2.88Å; M14-L17 HydrophobicContact SD-CD1 4.22Å; M14-L18 WeakPolarHBondContact O-CD1 3.47Å; M14-L18 WeakPolarHBondContact O-CG 2.98Å; M14-L18 PolarHBondContact O-N 2.91Å
15S81Confident72Confident58 Ų58102.7 Ų102.741%0.40657%0.565SS.*Hα-helixtrans-67.4-38174.944.60000112.1L11 A12 L18 L19L11-S15 WeakPolarHBondContact O-CB 3.06Å; L11-S15 PolarHBondContact O-N 2.91Å; L11-S15 PolarHBondContact O-OG 2.94Å; A12-S15 VanDerWaalsContact CA-OG 3.32Å; A12-S15 WeakPolarHBondContact CA-OG 3.08Å; A12-S15 PolarHBondContact O-OG 2.8Å; S15-L18 PolarHBondContact O-N 2.92Å; S15-L19 WeakPolarHBondContact O-CD1 3.32Å; S15-L19 WeakPolarHBondContact O-CG 3.23Å; S15-L19 PolarHBondContact O-N 2.95Å
16L80.4Confident71.3Confident91 Ų91106.5 Ų106.548%0.47658%0.578SS.*Hα-helixtrans-63.9-43.4173.7-16969.8000112A12 L13 L18 L19 F20A12-L16 VanDerWaalsContact O-CB 3.32Å; A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 PolarHBondContact O-N 2.73Å; L13-L16 PolarHBondContact O-N 3.39Å; L16-L18 PolarHBondContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 2.03Å; L16-F20 HydrophobicContact CD1-CD2 4.49Å; L16-F20 HydrophobicContact CD1-CE2 3.89Å; L16-F20 HydrophobicContact CD2-CE2 4.02Å; L16-F20 HydrophobicContact CG-CD2 4Å; L16-F20 HydrophobicContact CG-CE2 3.58Å; L16-F20 WeakPolarHBondContact O-CD2 3.32Å; L16-F20 PolarHBondContact O-N 2.8Å; L16-F20 VanDerWaalsContact O-N 3.08Å
17L76.4Confident70.2Confident97 Ų97111.2 Ų111.251%0.50859%0.593SS.*Hα-helixtrans-63.2-39176.2-72.9165.1000112.6L13 M14 F20 S21L13-L17 HydrophobicContact CD2-CD1 4.44Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.9Å; M14-L17 PolarHBondContact O-N 2.88Å; M14-L17 HydrophobicContact SD-CD1 4.22Å; L17-F20 PolarHBondContact O-N 2.85Å; L17-S21 PolarHBondContact O-N 3.49Å
18L73.3Confident69Low104 Ų104114 Ų11455%0.54560%0.604SS.*Hα-helixtrans-62.7-44.9173.9-79.3158.8000111.3M14 S15 L16 F20 S21 L22M14-L18 WeakPolarHBondContact O-CD1 3.47Å; M14-L18 WeakPolarHBondContact O-CG 2.98Å; M14-L18 PolarHBondContact O-N 2.91Å; S15-L18 PolarHBondContact O-N 2.92Å; L16-L18 PolarHBondContact O-N 3.15Å; L18-F20 VanDerWaalsContact C-N 3.32Å; L18-F20 PolarHBondContact O-N 2.79Å; L18-S21 PolarHBondContact O-N 3.36Å; L18-S21 VanDerWaalsContact O-N 3.14Å; L18-S21 PolarHBondContact O-OG 3.41Å; L18-L22 WeakPolarHBondContact O-CD1 3.46Å; L18-L22 PolarHBondContact O-N 3.44Å
19L69.1Low67.9Low124 Ų124114.1 Ų114.165%0.64960%0.602SS**Hα-helixtrans-60.8-39.4177.3-72.9160.5000112.4S15 L16 S21 L22S15-L19 WeakPolarHBondContact O-CD1 3.32Å; S15-L19 WeakPolarHBondContact O-CG 3.23Å; S15-L19 PolarHBondContact O-N 2.95Å; L16-L19 PolarHBondContact O-N 2.03Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 3.37Å
20F62.5Low67.4Low144 Ų144114.6 Ų114.663%0.63260%0.602SS**Hα-helixtrans-66.3-32.7175.8-78.4-62.8000113.2L16 L17 L18 G23L16-F20 HydrophobicContact CD1-CD2 4.49Å; L16-F20 HydrophobicContact CD1-CE2 3.89Å; L16-F20 HydrophobicContact CD2-CE2 4.02Å; L16-F20 HydrophobicContact CG-CD2 4Å; L16-F20 HydrophobicContact CG-CE2 3.58Å; L16-F20 WeakPolarHBondContact O-CD2 3.32Å; L16-F20 PolarHBondContact O-N 2.8Å; L16-F20 VanDerWaalsContact O-N 3.08Å; L17-F20 PolarHBondContact O-N 2.85Å; L18-F20 VanDerWaalsContact C-N 3.32Å; L18-F20 PolarHBondContact O-N 2.79Å; F20-G23 PolarHBondContact O-N 3.11Å
21S60Low67.4Low72 Ų72115.6 Ų115.650%0.50362%0.615SS.*Hα-helixtrans-71.2-28.7177.972.20000113.9L17 L18 L19L17-S21 PolarHBondContact O-N 3.49Å; L18-S21 PolarHBondContact O-N 3.36Å; L18-S21 VanDerWaalsContact O-N 3.14Å; L18-S21 PolarHBondContact O-OG 3.41Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.06Å
22L57.2Low67.6Low138 Ų138110.7 Ų110.772%0.72359%0.594SS**Hα-helixtrans-73.6-27.4175.4-84.386.2000112.7L18 L19 W24L18-L22 WeakPolarHBondContact O-CD1 3.46Å; L18-L22 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.37Å; L22-W24 VanDerWaalsContact C-N 3.33Å
23G53.3Low68.1Low72 Ų72108.9 Ų108.974%0.74258%0.578SS**Hα-helixtrans-78-15.217800000114.3F20F20-G23 PolarHBondContact O-N 3.11Å
24W46.8Very low68.6Low220 Ų220108.1 Ų108.183%0.83357%0.571SS**  trans-10244.7177.5-155.2-36.2000111.4L22 K26L22-W24 VanDerWaalsContact C-N 3.33Å; W24-K26 PolarHBondContact O-N 2.96Å; W24-K26 VanDerWaalsContact O-N 3.1Å
25S49Very low69.3Low82 Ų82106.8 Ų106.857%0.57357%0.566SS**  trans-72.1105.5160.9-144.80000106.6E27S25-E27 PolarHBondContact O-N 3.25Å; S25-E27 VanDerWaalsContact O-N 3.14Å
26K54.6Low69.9Low178 Ų178110.4 Ų110.477%0.77457%0.571SS**  trans-33124164.5-77.5177.4175166.90108W24 K28W24-K26 PolarHBondContact O-N 2.96Å; W24-K26 VanDerWaalsContact O-N 3.1Å; K26-K28 VanDerWaalsContact C-N 3.3Å; K26-K28 PolarHBondContact O-N 2.03Å
27E51.6Low70.7Confident164 Ų164109 Ų10977%0.76657%0.568SS**  trans-38.597.3177.4-169153.6160.400109.2S25 Q29S25-E27 PolarHBondContact O-N 3.25Å; S25-E27 VanDerWaalsContact O-N 3.14Å; E27-Q29 PolarHBondContact O-N 2.96Å
28K53Low71.6Confident172 Ų172107.3 Ų107.375%0.74856%0.559SS**  trans-68.793.3176.6-83.3-175.2178.1-179.50102.6K26 T30K26-K28 VanDerWaalsContact C-N 3.3Å; K26-K28 PolarHBondContact O-N 2.03Å; K28-T30 VanDerWaalsContact C-N 3.34Å; K28-T30 PolarHBondContact O-N 2.93Å
29Q58.7Low72.6Confident108 Ų108108.2 Ų108.251%0.50556%0.564SS.*  trans-53.3108.4174.3-103.411219.500106.8E27 Y62E27-Q29 PolarHBondContact O-N 2.96Å; Q29-Y62 HydrophobicContact CB-CD2 3.64Å; Q29-Y62 HydrophobicContact CB-CE2 3.38Å; Q29-Y62 HydrophobicContact CG-CD2 4.12Å; Q29-Y62 HydrophobicContact CG-CE2 3.58Å
30T67.7Low73.7Confident91 Ų91104.2 Ų104.256%0.55855%0.545SS*.  trans-62136-179.344.40000107.5K28 G32K28-T30 VanDerWaalsContact C-N 3.34Å; K28-T30 PolarHBondContact O-N 2.93Å; T30-G32 PolarHBondContact O-N 2.99Å
31P83.3Confident75Confident123 Ų123100.9 Ų100.980%0.79954%0.536SS*.BIsolated β-bridgetrans-51.5130.9170.4-2332.2000109.2
32G90.4Very high76.3Confident19 Ų1998.8 Ų98.820%0.19652%0.519CS..EExtended strand (participates in β ladder)trans143.9170.7-171.600000113.2T30 G61 Y62T30-G32 PolarHBondContact O-N 2.99Å; G32-G61 CarbonylContact O-C 3.49Å; G32-G61 VanDerWaalsContact O-C 3.32Å; G32-G61 WeakPolarHBondContact O-CA 3.39Å; G32-Y62 PolarHBondContact N-O 3.37Å; G32-Y62 PolarHBondContact O-N 3.06Å
33C95.3Very high77.7Confident18 Ų18100 Ų10012%0.12251%0.514CS..EExtended strand (participates in β ladder)trans-129.1116.8-178.8177.60000108.4C91C33-C91 VanDerWaalsContact CA-SG 3.56Å; C33-C91 HydrophobicContact CB-CB 3.84Å; C33-C91 WeakPolarHBondContact CB-SG 3.49Å; C33-C91 WeakPolarHBondContact SG-CA 3.21Å; C33-C91 WeakPolarHBondContact SG-CB 3.48Å; C33-C91 CovalentContact SG-SG 2.03Å; C33-C91 PolarHBondContact SG-SG 3.09Å
34H94.8Very high78.9Confident94 Ų9499.6 Ų99.644%0.43550%0.5SS..EExtended strand (participates in β ladder)trans-125.2155.1-163.9-57.1-76.9000111.7C59 V60H34-C59 WeakPolarHBondContact O-CA 3.4Å; H34-V60 PolarHBondContact N-O 2.9Å; H34-V60 PolarHBondContact O-N 3.25Å
35L96.1Very high80Confident74 Ų7491.7 Ų91.739%0.38747%0.474SS..EExtended strand (participates in β ladder)trans-73.4129169.4-75.5164.8000109.2Y57 A58 A119 K120 C122L35-Y57 HydrophobicContact CB-CD1 4.17Å; L35-A58 CarbonylContact C-O 3.56Å; L35-A58 WeakPolarHBondContact CA-O 3.45Å; L35-A119 HydrophobicContact CD2-CB 3.59Å; L35-K120 WeakPolarHBondContact CD1-O 3.32Å; L35-C122 VanDerWaalsContact CD2-SG 3.52Å
36Y95.6Very high80.9Confident133 Ų133100.3 Ų100.352%0.52249%0.494SS..EExtended strand (participates in β ladder)trans-125.5124.7179.4-170-97.8000110.2I38 Y57 A58 V60Y36-I38 HydrophobicContact CD1-CG2 3.62Å; Y36-I38 HydrophobicContact CE1-CG2 3.96Å; Y36-Y57 WeakPolarHBondContact O-CA 3.34Å; Y36-A58 PolarHBondContact N-O 3.48Å; Y36-A58 PolarHBondContact O-N 2.03Å; Y36-V60 HydrophobicContact CD1-CG2 4.31Å; Y36-V60 HydrophobicContact CG-CB 4.5Å; Y36-V60 HydrophobicContact CG-CG2 4.1Å
37P96Very high81.6Confident63 Ų63102.7 Ų102.741%0.40950%0.498SS..EExtended strand (participates in β ladder)trans-72.6130.8178.529.1-32.6000111L55 V56 Y57P37-L55 HydrophobicContact CB-CD1 3.97Å; P37-V56 CarbonylContact C-O 3.58Å; P37-V56 WeakPolarHBondContact CA-O 3.41Å; P37-Y57 HydrophobicContact CB-CD1 4.34Å; P37-Y57 HydrophobicContact CB-CE1 4.09Å
38I95.1Very high82.4Confident61 Ų6196 Ų9631%0.31347%0.473SS..EExtended strand (participates in β ladder)trans-132140.1176.160.9169.6000111Y36 V40 V56 A58Y36-I38 HydrophobicContact CD1-CG2 3.62Å; Y36-I38 HydrophobicContact CE1-CG2 3.96Å; I38-V40 HydrophobicContact CD1-CG1 3.78Å; I38-V40 HydrophobicContact CG1-CG1 4.08Å; I38-V56 HydrophobicContact CD1-CG2 3.96Å; I38-V56 HydrophobicContact CG1-CG2 3.55Å; I38-V56 PolarHBondContact N-O 2.8Å; I38-V56 PolarHBondContact O-N 3Å; I38-A58 HydrophobicContact CD1-CB 3.77Å; I38-A58 HydrophobicContact CG1-CB 4.23Å; I38-A58 HydrophobicContact CG2-CB 4.49Å
39N94.5Very high83.7Confident122 Ų12290.7 Ų90.765%0.65246%0.455SS*.EExtended strand (participates in β ladder)trans-88112.9170.5-74.3-45.4000109.1T53N39-T53 HydrophobicContact CB-CG2 4.27Å
40V91.5Very high84.8Confident41 Ų4186.3 Ų86.325%0.24844%0.436CS..EExtended strand (participates in β ladder)trans-100.9133.7175.6-650000109.6I38 I42 T53 H54 V56 I116I38-V40 HydrophobicContact CD1-CG1 3.78Å; I38-V40 HydrophobicContact CG1-CG1 4.08Å; V40-I42 HydrophobicContact CG2-CD1 4.37Å; V40-T53 WeakPolarHBondContact O-CA 3.33Å; V40-H54 WeakPolarHBondContact CG2-O 3.38Å; V40-H54 PolarHBondContact N-O 3.12Å; V40-H54 PolarHBondContact O-N 2.84Å; V40-V56 HydrophobicContact CB-CG2 4.33Å; V40-V56 HydrophobicContact CG1-CG2 3.62Å; V40-V56 HydrophobicContact CG2-CB 4.49Å; V40-V56 HydrophobicContact CG2-CG1 3.96Å; V40-V56 HydrophobicContact CG2-CG2 3.73Å; V40-I116 HydrophobicContact CG2-CD1 3.99Å
41T90.8Very high85.8Confident74 Ų7488 Ų8845%0.45444%0.436SS..EExtended strand (participates in β ladder)trans-102118.6171.3-56.30000108.6G52T41-G52 CarbonylContact C-O 3.55Å; T41-G52 WeakPolarHBondContact CA-O 3.03Å
42I87.6Confident86Confident28 Ų2882.6 Ų82.614%0.14440%0.402CS..EExtended strand (participates in β ladder)trans-100.2140.5179.1-65.3148.7000108.6V40 K51 G52 V101 L103 I114 I116V40-I42 HydrophobicContact CG2-CD1 4.37Å; I42-K51 CarbonylContact O-C 3.32Å; I42-K51 VanDerWaalsContact O-CA 3.23Å; I42-K51 WeakPolarHBondContact O-CA 3.38Å; I42-G52 PolarHBondContact N-O 2.79Å; I42-G52 PolarHBondContact O-N 3.45Å; I42-V101 HydrophobicContact CD1-CB 4Å; I42-V101 HydrophobicContact CD1-CG1 4.01Å; I42-V101 HydrophobicContact CD1-CG2 3.72Å; I42-L103 HydrophobicContact CB-CD2 4.19Å; I42-L103 HydrophobicContact CG2-CD2 4.01Å; I42-I114 HydrophobicContact CG2-CD1 4.21Å; I42-I116 HydrophobicContact CD1-CB 4.47Å; I42-I116 HydrophobicContact CD1-CD1 3.64Å; I42-I116 HydrophobicContact CD1-CG1 4.46Å; I42-I116 HydrophobicContact CD1-CG2 3.45Å; I42-I116 VanDerWaalsContact CD1-CG2 3.45Å; I42-I116 HydrophobicContact CG1-CG2 4.24Å
43R87.3Confident86Confident164 Ų16486.2 Ų86.262%0.61942%0.42SS*.EExtended strand (participates in β ladder)trans-126.9132.4176.6-65.3-179.8178.5120.9-1108.6C50 K51R43-C50 VanDerWaalsContact CA-O 3.32Å; R43-C50 WeakPolarHBondContact CA-O 3.44Å; R43-K51 HydrophobicContact CG-CB 4.39Å
44S76.9Confident85.8Confident62 Ų6288.3 Ų88.343%0.43443%0.428SS..SBendtrans-70.6-37.1-178-166.50000112.2C50S44-C50 PolarHBondContact N-O 2.93Å
45D70.8Confident85.8Confident54 Ų5487.9 Ų87.929%0.28943%0.429SS..SBendtrans-128.2160.3-17463.7-20.4000112.7R47 G48 T49D45-R47 PolarHBondContact O-N 3.3Å; D45-R47 VanDerWaalsContact O-N 3.14Å; D45-R47 WeakPolarHBondContact OD2-CB 3.34Å; D45-G48 PolarHBondContact O-N 2.79Å; D45-G48 WeakPolarHBondContact OD1-CA 3.25Å; D45-G48 PolarHBondContact OD1-N 3.29Å; D45-T49 VanDerWaalsContact CG-OG1 3.26Å; D45-T49 PolarHBondContact OD1-N 3.5Å; D45-T49 PolarHBondContact OD1-OG1 2.04Å; D45-T49 PolarHBondContact OD2-OG1 2.81Å
46R66.8Low85.8Confident264 Ų26484.7 Ų84.7100%0.99641%0.412SS*.THydrogen-bonded Turntrans-60.3-22.8175.1-70.6-171.1-174.1-178.52.6113.1G48R46-G48 VanDerWaalsContact C-N 3.32Å
47R69.1Low85.8Confident227 Ų22783.2 Ų83.286%0.85741%0.406SS*.THydrogen-bonded Turntrans-81.8-11.4175.8-61.9178.5178.7-127.31.4112.4D45 T49D45-R47 PolarHBondContact O-N 3.3Å; D45-R47 VanDerWaalsContact O-N 3.14Å; D45-R47 WeakPolarHBondContact OD2-CB 3.34Å; R47-T49 VanDerWaalsContact C-N 3.3Å; R47-T49 HydrophobicContact CB-CG2 4.05Å; R47-T49 PolarHBondContact O-N 2.94Å
48G69.7Low85.8Confident23 Ų2381.4 Ų81.424%0.23740%0.397CS..  trans65.928.8174.900000114.2D45 R46D45-G48 PolarHBondContact O-N 2.79Å; D45-G48 WeakPolarHBondContact OD1-CA 3.25Å; D45-G48 PolarHBondContact OD1-N 3.29Å; R46-G48 VanDerWaalsContact C-N 3.32Å
49T79Confident85.8Confident62 Ų6279.8 Ų79.838%0.3839%0.391SS..  trans-72.5-36.7-174.657.40000111.9D45 R47 P106D45-T49 VanDerWaalsContact CG-OG1 3.26Å; D45-T49 PolarHBondContact OD1-N 3.5Å; D45-T49 PolarHBondContact OD1-OG1 2.04Å; D45-T49 PolarHBondContact OD2-OG1 2.81Å; R47-T49 VanDerWaalsContact C-N 3.3Å; R47-T49 HydrophobicContact CB-CG2 4.05Å; R47-T49 PolarHBondContact O-N 2.94Å; T49-P106 WeakPolarHBondContact O-CD 3.32Å
50C83.4Confident85.8Confident15 Ų1577.6 Ų77.610%0.10138%0.382CS..SBendtrans-103.9129.7171.1-65.20000110.3R43 S44 L103 D104 C105R43-C50 VanDerWaalsContact CA-O 3.32Å; R43-C50 WeakPolarHBondContact CA-O 3.44Å; S44-C50 PolarHBondContact N-O 2.93Å; C50-L103 HydrophobicContact CB-CB 4.28Å; C50-L103 HydrophobicContact CB-CD1 4.33Å; C50-D104 WeakPolarHBondContact CA-O 3.11Å; C50-C105 HydrophobicContact CB-CB 4.21Å; C50-C105 WeakPolarHBondContact CB-SG 3.33Å; C50-C105 WeakPolarHBondContact SG-CB 3.47Å; C50-C105 CovalentContact SG-SG 2.04Å; C50-C105 PolarHBondContact SG-SG 2.72Å
51K88.1Confident85.9Confident128 Ų12877 Ų7756%0.55738%0.383SS*.EExtended strand (participates in β ladder)trans-139.8150.2-179.967.7-178.5-179.4-179.20112.8I42 R43 D104I42-K51 CarbonylContact O-C 3.32Å; I42-K51 VanDerWaalsContact O-CA 3.23Å; I42-K51 WeakPolarHBondContact O-CA 3.38Å; R43-K51 HydrophobicContact CG-CB 4.39Å; K51-D104 PolarHBondContact N-O 2.97Å; K51-D104 PolarHBondContact O-N 3.37Å
52G87.4Confident86Confident9 Ų980.3 Ų80.39%0.09339%0.388CS..EExtended strand (participates in β ladder)trans-146.6141.1172.600000110.2T41 I42T41-G52 CarbonylContact C-O 3.55Å; T41-G52 WeakPolarHBondContact CA-O 3.03Å; I42-G52 PolarHBondContact N-O 2.79Å; I42-G52 PolarHBondContact O-N 3.45Å
53T90.1Very high86.3Confident94 Ų9480.1 Ų80.158%0.57739%0.39SS*.EExtended strand (participates in β ladder)trans-106.9133174.4-57.10000108.8N39 V40N39-T53 HydrophobicContact CB-CG2 4.27Å; V40-T53 WeakPolarHBondContact O-CA 3.33Å
54H92.2Very high86.5Confident63 Ų6380.6 Ų80.629%0.29240%0.399SS..EExtended strand (participates in β ladder)trans-136.8144.8175.9-160.729.3000111.4V40 V101 I116V40-H54 WeakPolarHBondContact CG2-O 3.38Å; V40-H54 PolarHBondContact N-O 3.12Å; V40-H54 PolarHBondContact O-N 2.84Å; H54-V101 HydrophobicContact CB-CG1 4.16Å; H54-V101 HydrophobicContact CB-CG2 3.71Å; H54-I116 HydrophobicContact CB-CD1 4.48Å
55L93.6Very high87.3Confident85 Ų8580.8 Ų80.845%0.44540%0.4SS..EExtended strand (participates in β ladder)trans-80.9118.5170.9-175.670.7000108.2P37P37-L55 HydrophobicContact CB-CD1 3.97Å
56V95.8Very high88.4Confident7 Ų781.2 Ų81.24%0.04241%0.408CS..EExtended strand (participates in β ladder)trans-124168.3171.8-60.90000110P37 I38 V40 V99 I116P37-V56 CarbonylContact C-O 3.58Å; P37-V56 WeakPolarHBondContact CA-O 3.41Å; I38-V56 HydrophobicContact CD1-CG2 3.96Å; I38-V56 HydrophobicContact CG1-CG2 3.55Å; I38-V56 PolarHBondContact N-O 2.8Å; I38-V56 PolarHBondContact O-N 3Å; V40-V56 HydrophobicContact CB-CG2 4.33Å; V40-V56 HydrophobicContact CG1-CG2 3.62Å; V40-V56 HydrophobicContact CG2-CB 4.49Å; V40-V56 HydrophobicContact CG2-CG1 3.96Å; V40-V56 HydrophobicContact CG2-CG2 3.73Å; V56-V99 HydrophobicContact CG1-CG2 4.29Å; V56-I116 HydrophobicContact CG1-CD1 3.4Å; V56-I116 HydrophobicContact CG1-CG1 4.26Å
57Y96.8Very high89.8Confident101 Ų10172.1 Ų72.140%0.39639%0.388SS..EExtended strand (participates in β ladder)trans-107.8137.6174.5-67.7-92.8000109.8L35 Y36 P37 T118 A119L35-Y57 HydrophobicContact CB-CD1 4.17Å; Y36-Y57 WeakPolarHBondContact O-CA 3.34Å; P37-Y57 HydrophobicContact CB-CD1 4.34Å; P37-Y57 HydrophobicContact CB-CE1 4.09Å; Y57-T118 PolarHBondContact N-OG1 3Å; Y57-A119 WeakPolarHBondContact CB-O 3.4Å; Y57-A119 VanDerWaalsContact O-CB 3.26Å; Y57-A119 WeakPolarHBondContact O-CB 3.45Å; Y57-A119 PolarHBondContact O-N 3.5Å
58A95.6Very high91.1Very high25 Ų2565.4 Ų65.421%0.20737%0.366CS..EExtended strand (participates in β ladder)trans-117.7170.7171.200000110.1L35 Y36 I38L35-A58 CarbonylContact C-O 3.56Å; L35-A58 WeakPolarHBondContact CA-O 3.45Å; Y36-A58 PolarHBondContact N-O 3.48Å; Y36-A58 PolarHBondContact O-N 2.03Å; I38-A58 HydrophobicContact CD1-CB 3.77Å; I38-A58 HydrophobicContact CG1-CB 4.23Å; I38-A58 HydrophobicContact CG2-CB 4.49Å
59C95.1Very high92.4Very high28 Ų2869.2 Ų69.219%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-101.8123.6175.2-63.60000110.4H34 C122H34-C59 WeakPolarHBondContact O-CA 3.4Å; C59-C122 WeakPolarHBondContact CA-SG 3.27Å; C59-C122 HydrophobicContact CB-CB 3.77Å; C59-C122 WeakPolarHBondContact CB-SG 3.46Å; C59-C122 VanDerWaalsContact SG-CA 3.58Å; C59-C122 WeakPolarHBondContact SG-CB 3.4Å; C59-C122 CovalentContact SG-SG 2.03Å; C59-C122 PolarHBondContact SG-SG 3.49Å
60V94.6Very high93.2Very high76 Ų7666.7 Ų66.746%0.46137%0.371SS..EExtended strand (participates in β ladder)trans-133.6136178.6-178.10000108.9H34 Y36H34-V60 PolarHBondContact N-O 2.9Å; H34-V60 PolarHBondContact O-N 3.25Å; Y36-V60 HydrophobicContact CD1-CG2 4.31Å; Y36-V60 HydrophobicContact CG-CB 4.5Å; Y36-V60 HydrophobicContact CG-CG2 4.1Å
61G93.3Very high93.9Very high27 Ų2775 Ų7528%0.27840%0.4SS..EExtended strand (participates in β ladder)trans158.7-179.117500000114.2G32G32-G61 CarbonylContact O-C 3.49Å; G32-G61 VanDerWaalsContact O-C 3.32Å; G32-G61 WeakPolarHBondContact O-CA 3.39Å
62Y92.4Very high94.3Very high144 Ų14477 Ų7757%0.56541%0.406SS*.EExtended strand (participates in β ladder)trans-112.1119.8-177-64.4-88000110Q29 G32Q29-Y62 HydrophobicContact CB-CD2 3.64Å; Q29-Y62 HydrophobicContact CB-CE2 3.38Å; Q29-Y62 HydrophobicContact CG-CD2 4.12Å; Q29-Y62 HydrophobicContact CG-CE2 3.58Å; G32-Y62 PolarHBondContact N-O 3.37Å; G32-Y62 PolarHBondContact O-N 3.06Å
63C93.5Very high94.7Very high25 Ų2580.4 Ų80.417%0.16943%0.428CS..  trans-107.2133.1176.9-64.90000110.3S65 R89 C124C63-S65 PolarHBondContact O-N 2.76Å; C63-R89 HydrophobicContact CB-CB 3.83Å; C63-R89 WeakPolarHBondContact CB-O 3.49Å; C63-C124 VanDerWaalsContact CA-SG 3.53Å; C63-C124 HydrophobicContact CB-CB 3.68Å; C63-C124 WeakPolarHBondContact CB-SG 3.47Å; C63-C124 WeakPolarHBondContact SG-CA 3.23Å; C63-C124 WeakPolarHBondContact SG-CB 3.4Å; C63-C124 CovalentContact SG-SG 2.03Å; C63-C124 PolarHBondContact SG-SG 3.08Å
64E92.9Very high95.1Very high173 Ų17378.4 Ų78.481%0.80842%0.415SS*.  trans-68.6130.4178.8-168.4177177.200111R89E64-R89 WeakPolarHBondContact O-CB 3.26Å; E64-R89 VanDerWaalsContact O-CD 3.23Å; E64-R89 WeakPolarHBondContact O-CD 3.37Å; E64-R89 VanDerWaalsContact O-CG 3.25Å; E64-R89 WeakPolarHBondContact O-CG 3.38Å
65S93.8Very high95.3Very high67 Ų6777 Ų7747%0.46941%0.41SS..  trans-123.9152.1176.8-64.20000109.3C63 A87 R89C63-S65 PolarHBondContact O-N 2.76Å; S65-A87 WeakPolarHBondContact CA-O 3.08Å; S65-R89 PolarHBondContact OG-N 3.33Å; S65-R89 PolarHBondContact OG-O 3.47Å
66S93.7Very high95.5Very high63 Ų6376.1 Ų76.144%0.44141%0.408SS..EExtended strand (participates in β ladder)trans-138.4157.3-179.656.50000112.1S86 A87S66-S86 CarbonylContact O-C 3.56Å; S66-S86 WeakPolarHBondContact O-CA 3.13Å; S66-A87 PolarHBondContact N-O 3.28Å; S66-A87 PolarHBondContact O-N 3.05Å
67A95.6Very high95.5Very high72 Ų7280 Ų8060%0.59544%0.441SS*.EExtended strand (participates in β ladder)trans-137137.4171.300000108.8I84 T85A67-I84 HydrophobicContact CB-CG2 4.16Å; A67-T85 WeakPolarHBondContact CA-O 3.23Å
68F95.9Very high95.5Very high86 Ų8676.4 Ų76.438%0.37743%0.431SS..EExtended strand (participates in β ladder)trans-145.8156.5-176.250.9-88.3000110.2S70 T85F68-S70 PolarHBondContact O-N 3.37Å; F68-T85 HydrophobicContact CE1-CG2 4.45Å; F68-T85 HydrophobicContact CE2-CG2 3.87Å; F68-T85 HydrophobicContact CZ-CG2 3.68Å; F68-T85 PolarHBondContact N-O 3.03Å; F68-T85 PolarHBondContact O-N 3Å; F68-T85 VanDerWaalsContact O-O 3.08Å
69P97.3Very high95.6Very high104 Ų10481.8 Ų81.868%0.67546%0.456SS*.EExtended strand (participates in β ladder)trans-52.9133.4172.5-25.835.1000111R71P69-R71 PolarHBondContact O-N 3.44Å
70S97.1Very high95.6Very high9 Ų986 Ų866%0.06347%0.471CS..PPolyproline II helixtrans-58.1139.9179.8-73.40000111.1F68 H82 N83 I84 T85F68-S70 PolarHBondContact O-N 3.37Å; S70-H82 WeakPolarHBondContact CB-O 3.5Å; S70-H82 PolarHBondContact OG-ND1 3.34Å; S70-H82 PolarHBondContact OG-O 3.23Å; S70-N83 WeakPolarHBondContact CB-O 3.37Å; S70-N83 PolarHBondContact N-O 2.81Å; S70-N83 VanDerWaalsContact OG-C 3.3Å; S70-N83 PolarHBondContact OG-O 3.25Å; S70-I84 PolarHBondContact OG-N 3.12Å; S70-T85 PolarHBondContact OG-N 3.1Å; S70-T85 PolarHBondContact OG-OG1 2.79Å
71R96.8Very high95.7Very high188 Ų18888.1 Ų88.171%0.70948%0.484SS*.PPolyproline II helixtrans-59.1149.7171.8-69.6-173.8174.3-168.9-1.7109.8P69 S73 V74 L75P69-R71 PolarHBondContact O-N 3.44Å; R71-S73 PolarHBondContact O-N 3.23Å; R71-S73 VanDerWaalsContact O-N 3.12Å; R71-V74 HydrophobicContact CB-CG2 4.48Å; R71-V74 WeakPolarHBondContact O-CA 3.41Å; R71-V74 WeakPolarHBondContact O-CB 3.08Å; R71-V74 PolarHBondContact O-N 3.38Å; R71-L75 PolarHBondContact O-N 3.19Å
72Y96.8Very high95.8Very high172 Ų17291 Ų9168%0.67549%0.491SS*.Hα-helixtrans-52.4-38.6179.6-174.9-103.6000113V74 L75 V76Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 3.1Å; Y72-L75 WeakPolarHBondContact O-CB 3.3Å; Y72-L75 PolarHBondContact O-N 3.24Å; Y72-V76 HydrophobicContact CD1-CG2 4.07Å; Y72-V76 HydrophobicContact CD2-CG2 4.48Å; Y72-V76 HydrophobicContact CE1-CG2 3.59Å; Y72-V76 HydrophobicContact CE2-CG2 4.05Å; Y72-V76 HydrophobicContact CG-CG2 4.49Å; Y72-V76 WeakPolarHBondContact O-CG2 3.39Å; Y72-V76 PolarHBondContact O-N 3.27Å
73S97Very high96Very high80 Ų8088.8 Ų88.856%0.55949%0.488SS*.Hα-helixtrans-59.8-38.3175.154.70000113.7R71 A77R71-S73 PolarHBondContact O-N 3.23Å; R71-S73 VanDerWaalsContact O-N 3.12Å; S73-A77 VanDerWaalsContact O-CB 3.23Å; S73-A77 WeakPolarHBondContact O-CB 3Å; S73-A77 PolarHBondContact O-N 3.42Å
74V96.8Very high96.1Very high51 Ų5192.3 Ų92.331%0.30950%0.504SS..Hα-helixtrans-73.4-38177.21770000110.8R71 Y72 S78 H82R71-V74 HydrophobicContact CB-CG2 4.48Å; R71-V74 WeakPolarHBondContact O-CA 3.41Å; R71-V74 WeakPolarHBondContact O-CB 3.08Å; R71-V74 PolarHBondContact O-N 3.38Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 3.1Å; V74-S78 VanDerWaalsContact O-CB 3.27Å; V74-S78 WeakPolarHBondContact O-CB 3.08Å; V74-S78 PolarHBondContact O-N 3.16Å; V74-S78 PolarHBondContact O-OG 3.09Å; V74-H82 HydrophobicContact CG1-CB 4.45Å; V74-H82 WeakPolarHBondContact CG1-ND1 3.17Å
75L97.1Very high96.2Very high33 Ų3385.6 Ų85.617%0.17348%0.475CS..Hα-helixtrans-60.4-52.2175.2-65.3175.1000110.8R71 Y72 A77 S78 N79 F80 H82R71-L75 PolarHBondContact O-N 3.19Å; Y72-L75 WeakPolarHBondContact O-CB 3.3Å; Y72-L75 PolarHBondContact O-N 3.24Å; L75-A77 PolarHBondContact O-N 2.69Å; L75-S78 CarbonylContact O-C 3.6Å; L75-S78 PolarHBondContact O-N 3.14Å; L75-S78 PolarHBondContact O-OG 3.47Å; L75-S78 VanDerWaalsContact O-OG 3.1Å; L75-N79 PolarHBondContact O-N 3.34Å; L75-F80 HydrophobicContact CB-CD1 3.93Å; L75-F80 HydrophobicContact CB-CE1 4.01Å; L75-F80 PolarHBondContact O-N 2.9Å; L75-H82 WeakPolarHBondContact CD2-O 3.03Å
76V97.4Very high96.1Very high68 Ų6886 Ų8641%0.41248%0.478SS..Hα-helixtrans-62.5-45.3179.3175.60000111.2Y72 S78 N79 F80Y72-V76 HydrophobicContact CD1-CG2 4.07Å; Y72-V76 HydrophobicContact CD2-CG2 4.48Å; Y72-V76 HydrophobicContact CE1-CG2 3.59Å; Y72-V76 HydrophobicContact CE2-CG2 4.05Å; Y72-V76 HydrophobicContact CG-CG2 4.49Å; Y72-V76 WeakPolarHBondContact O-CG2 3.39Å; Y72-V76 PolarHBondContact O-N 3.27Å; V76-S78 PolarHBondContact O-N 2.62Å; V76-N79 PolarHBondContact O-N 3.22Å; V76-F80 HydrophobicContact CG2-CZ 4.28Å
77A97.2Very high96Very high89 Ų8984.3 Ų84.374%0.73647%0.468SS*.Hα-helixtrans-64.6-24.5179.400000113.7S73 L75S73-A77 VanDerWaalsContact O-CB 3.23Å; S73-A77 WeakPolarHBondContact O-CB 3Å; S73-A77 PolarHBondContact O-N 3.42Å; L75-A77 PolarHBondContact O-N 2.69Å
78S96.1Very high95.9Very high25 Ų2583.1 Ų83.118%0.17546%0.455CS..THydrogen-bonded Turntrans-99.29.2178.865.10000113.8V74 L75 V76 F80 T81 H82V74-S78 VanDerWaalsContact O-CB 3.27Å; V74-S78 WeakPolarHBondContact O-CB 3.08Å; V74-S78 PolarHBondContact O-N 3.16Å; V74-S78 PolarHBondContact O-OG 3.09Å; L75-S78 CarbonylContact O-C 3.6Å; L75-S78 PolarHBondContact O-N 3.14Å; L75-S78 PolarHBondContact O-OG 3.47Å; L75-S78 VanDerWaalsContact O-OG 3.1Å; V76-S78 PolarHBondContact O-N 2.62Å; S78-F80 PolarHBondContact O-N 3.1Å; S78-T81 WeakPolarHBondContact O-CB 3.23Å; S78-T81 WeakPolarHBondContact O-CG2 3.25Å; S78-T81 PolarHBondContact O-N 3.06Å; S78-T81 VanDerWaalsContact O-N 3.09Å; S78-T81 PolarHBondContact O-OG1 2.87Å; S78-H82 WeakPolarHBondContact OG-CB 3.03Å; S78-H82 PolarHBondContact OG-N 2.89Å; S78-H82 VanDerWaalsContact OG-N 3.16Å
79N97.1Very high95.8Very high137 Ų13784.9 Ų84.973%0.73346%0.46SS*.THydrogen-bonded Turntrans50.941.7-170.5-64.9-47.3000112.5L75 V76 T81L75-N79 PolarHBondContact O-N 3.34Å; V76-N79 PolarHBondContact O-N 3.22Å; N79-T81 PolarHBondContact O-N 2.97Å; N79-T81 VanDerWaalsContact O-N 3.12Å
80F95.4Very high95.6Very high118 Ų11882.4 Ų82.452%0.51844%0.444SS..THydrogen-bonded Turntrans57.923.6-179.1-60.4-96.2000114.3L75 V76 S78 N83L75-F80 HydrophobicContact CB-CD1 3.93Å; L75-F80 HydrophobicContact CB-CE1 4.01Å; L75-F80 PolarHBondContact O-N 2.9Å; V76-F80 HydrophobicContact CG2-CZ 4.28Å; S78-F80 PolarHBondContact O-N 3.1Å; F80-N83 PolarHBondContact O-OD1 2.85Å
81T97.2Very high95.5Very high120 Ų12083.7 Ų83.774%0.73645%0.452SS*.  trans-89.2-21.317563.40000112.5S78 N79S78-T81 WeakPolarHBondContact O-CB 3.23Å; S78-T81 WeakPolarHBondContact O-CG2 3.25Å; S78-T81 PolarHBondContact O-N 3.06Å; S78-T81 VanDerWaalsContact O-N 3.09Å; S78-T81 PolarHBondContact O-OG1 2.87Å; N79-T81 PolarHBondContact O-N 2.97Å; N79-T81 VanDerWaalsContact O-N 3.12Å
82H94.9Very high95.4Very high88 Ų8876.9 Ų76.941%0.40743%0.432SS..  trans-107.477.2-178.7-166.4-102.2000111.8S70 V74 L75 S78 I84S70-H82 WeakPolarHBondContact CB-O 3.5Å; S70-H82 PolarHBondContact OG-ND1 3.34Å; S70-H82 PolarHBondContact OG-O 3.23Å; V74-H82 HydrophobicContact CG1-CB 4.45Å; V74-H82 WeakPolarHBondContact CG1-ND1 3.17Å; L75-H82 WeakPolarHBondContact CD2-O 3.03Å; S78-H82 WeakPolarHBondContact OG-CB 3.03Å; S78-H82 PolarHBondContact OG-N 2.89Å; S78-H82 VanDerWaalsContact OG-N 3.16Å; H82-I84 PolarHBondContact CE1-O 3.4Å; H82-I84 PolarHBondContact NE2-O 2.63Å
83N96.2Very high95.3Very high96 Ų9673 Ų7351%0.51342%0.422SS..  trans-77-26.3-171-67.6-16.7000115S70 F80S70-N83 WeakPolarHBondContact CB-O 3.37Å; S70-N83 PolarHBondContact N-O 2.81Å; S70-N83 VanDerWaalsContact OG-C 3.3Å; S70-N83 PolarHBondContact OG-O 3.25Å; F80-N83 PolarHBondContact O-OD1 2.85Å
84I96Very high95.2Very high99 Ų9971.5 Ų71.551%0.50841%0.411SS..EExtended strand (participates in β ladder)trans-121.3131.6-179.1-58.7-61.8000108.5A67 S70 H82A67-I84 HydrophobicContact CB-CG2 4.16Å; S70-I84 PolarHBondContact OG-N 3.12Å; H82-I84 PolarHBondContact CE1-O 3.4Å; H82-I84 PolarHBondContact NE2-O 2.63Å
85T94.3Very high95.1Very high32 Ų3275.7 Ų75.720%0.19643%0.425CS..EExtended strand (participates in β ladder)trans-105129.9170-62.90000108.8A67 F68 S70A67-T85 WeakPolarHBondContact CA-O 3.23Å; F68-T85 HydrophobicContact CE1-CG2 4.45Å; F68-T85 HydrophobicContact CE2-CG2 3.87Å; F68-T85 HydrophobicContact CZ-CG2 3.68Å; F68-T85 PolarHBondContact N-O 3.03Å; F68-T85 PolarHBondContact O-N 3Å; F68-T85 VanDerWaalsContact O-O 3.08Å; S70-T85 PolarHBondContact OG-N 3.1Å; S70-T85 PolarHBondContact OG-OG1 2.79Å
86S92.8Very high95.1Very high76 Ų7678.5 Ų78.553%0.53144%0.44SS..EExtended strand (participates in β ladder)trans-112.9141.317658.20000111.4S66S66-S86 CarbonylContact O-C 3.56Å; S66-S86 WeakPolarHBondContact O-CA 3.13Å
87A91.6Very high95Very high28 Ų2876.6 Ų76.623%0.23143%0.432CS..EExtended strand (participates in β ladder)trans-111.591168.900000107.8S65 S66S65-A87 WeakPolarHBondContact CA-O 3.08Å; S66-A87 PolarHBondContact N-O 3.28Å; S66-A87 PolarHBondContact O-N 3.05Å
88S92.4Very high94.9Very high46 Ų4679.2 Ų79.232%0.32243%0.427SS..  trans-88.912417953.70000110.8M126 C127S88-M126 WeakPolarHBondContact O-CA 3.5Å; S88-M126 VanDerWaalsContact O-SD 3.33Å; S88-C127 PolarHBondContact O-N 3.42Å
89R93.8Very high94.7Very high124 Ų12479.8 Ų79.847%0.46843%0.429SS..EExtended strand (participates in β ladder)trans-111.5132.6176.7-55.1-169.790.3106.11.3110.8C63 E64 S65 C124 D125C63-R89 HydrophobicContact CB-CB 3.83Å; C63-R89 WeakPolarHBondContact CB-O 3.49Å; E64-R89 WeakPolarHBondContact O-CB 3.26Å; E64-R89 VanDerWaalsContact O-CD 3.23Å; E64-R89 WeakPolarHBondContact O-CD 3.37Å; E64-R89 VanDerWaalsContact O-CG 3.25Å; E64-R89 WeakPolarHBondContact O-CG 3.38Å; S65-R89 PolarHBondContact OG-N 3.33Å; S65-R89 PolarHBondContact OG-O 3.47Å; R89-C124 PolarHBondContact NE-O 3.36Å; R89-C124 PolarHBondContact NH2-O 2.97Å; R89-C124 VanDerWaalsContact NH2-O 3.11Å; R89-D125 CarbonylContact C-O 3.59Å; R89-D125 VanDerWaalsContact CA-O 3.23Å; R89-D125 WeakPolarHBondContact CA-O 3.32Å
90C93.7Very high94.5Very high52 Ų5278.7 Ų78.735%0.35142%0.418SS..EExtended strand (participates in β ladder)trans-113.7146.6178.3-75.70000109.8T92 D125 C127C90-T92 HydrophobicContact CB-CG2 4.01Å; C90-T92 PolarHBondContact O-N 3.18Å; C90-D125 PolarHBondContact N-O 3.4Å; C90-D125 PolarHBondContact O-N 3.42Å; C90-C127 HydrophobicContact CB-CB 4.07Å; C90-C127 WeakPolarHBondContact CB-SG 3.35Å; C90-C127 PolarHBondContact N-SG 3.14Å; C90-C127 WeakPolarHBondContact SG-CB 3.46Å; C90-C127 CovalentContact SG-SG 2.04Å; C90-C127 PolarHBondContact SG-SG 3.35Å
91C94.9Very high94.2Very high35 Ų3573.3 Ų73.324%0.23639%0.394CS..EExtended strand (participates in β ladder)trans-77.1113.4171-178.50000108.7C33C33-C91 VanDerWaalsContact CA-SG 3.56Å; C33-C91 HydrophobicContact CB-CB 3.84Å; C33-C91 WeakPolarHBondContact CB-SG 3.49Å; C33-C91 WeakPolarHBondContact SG-CA 3.21Å; C33-C91 WeakPolarHBondContact SG-CB 3.48Å; C33-C91 CovalentContact SG-SG 2.03Å; C33-C91 PolarHBondContact SG-SG 3.09Å
92T94.1Very high93.8Very high45 Ų4576.4 Ų76.428%0.27639%0.393SS..EExtended strand (participates in β ladder)trans-130.5156.3-170.460.50000112.1C90 S94 C122 R123C90-T92 HydrophobicContact CB-CG2 4.01Å; C90-T92 PolarHBondContact O-N 3.18Å; T92-S94 PolarHBondContact O-N 3.08Å; T92-C122 WeakPolarHBondContact O-CA 3.27Å; T92-R123 PolarHBondContact N-O 3.11Å; T92-R123 PolarHBondContact O-N 3.39Å; T92-R123 PolarHBondContact OG1-O 3.36Å
93I95Very high93.5Very high92 Ų9272.3 Ų72.347%0.47237%0.374SS..EExtended strand (participates in β ladder)trans-72.2119.6172.8-56.1174.4000108.2K95 D96 A119I93-K95 WeakPolarHBondContact CG2-O 3.23Å; I93-D96 HydrophobicContact CG2-CB 3.98Å; I93-A119 HydrophobicContact CD1-CB 4.24Å; I93-A119 HydrophobicContact CG1-CB 4.05Å; I93-A119 HydrophobicContact CG2-CB 4.07Å
94S94.5Very high93Very high47 Ų4772.9 Ų72.933%0.32938%0.377SS..EExtended strand (participates in β ladder)trans-96.9-24.6177.563.90000113.1T92 A121T92-S94 PolarHBondContact O-N 3.08Å; S94-A121 PolarHBondContact N-O 2.95Å; S94-A121 VanDerWaalsContact OG-C 3.24Å; S94-A121 VanDerWaalsContact OG-CB 3.25Å; S94-A121 WeakPolarHBondContact OG-CB 3.45Å; S94-A121 PolarHBondContact OG-O 3.39Å
95K95.9Very high92.4Very high139 Ų13968.8 Ų68.860%0.60436%0.357SS*.EExtended strand (participates in β ladder)trans-144.2137.4171.3-62-177.6179.8179.60108.6I93 K120 A121I93-K95 WeakPolarHBondContact CG2-O 3.23Å; K95-K120 HydrophobicContact CB-CB 4.12Å; K95-K120 WeakPolarHBondContact O-CA 3.27Å; K95-K120 PolarHBondContact O-N 2.69Å; K95-A121 HydrophobicContact CB-CB 4.01Å; K95-A121 HydrophobicContact CD-CB 4.33Å; K95-A121 HydrophobicContact CG-CB 4.21Å; K95-A121 PolarHBondContact N-O 3.41Å; K95-A121 PolarHBondContact O-N 3.48Å; K95-A121 VanDerWaalsContact O-N 3.12Å
96D96.1Very high91.7Very high92 Ų9272.4 Ų72.449%0.49238%0.381SS..EExtended strand (participates in β ladder)trans-125.3166.7178.162.5-45.2000111.2I93 L117 T118I93-D96 HydrophobicContact CG2-CB 3.98Å; D96-L117 WeakPolarHBondContact OD2-CD2 3.37Å; D96-T118 CarbonylContact C-O 3.6Å; D96-T118 WeakPolarHBondContact CA-O 3.47Å
97A96.2Very high90.8Very high28 Ų2880.1 Ų80.123%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-140.4152.9169.200000109.5L117 T118 K120A97-L117 WeakPolarHBondContact O-CA 3.44Å; A97-T118 HydrophobicContact CB-CG2 4.14Å; A97-T118 PolarHBondContact N-O 3.4Å; A97-T118 WeakPolarHBondContact O-CG2 3.39Å; A97-T118 PolarHBondContact O-N 3.03Å; A97-K120 HydrophobicContact CB-CD 4.29Å; A97-K120 HydrophobicContact CB-CG 3.77Å
98K95.1Very high89.5Confident145 Ų14580.7 Ų80.763%0.6341%0.406SS*.EExtended strand (participates in β ladder)trans-87.9135.5169.3-67.7178.5173.1-167.50109.7E115 I116 L117K98-E115 IonicContact NZ-OE2 2.73Å; K98-I116 CarbonylContact C-O 3.59Å; K98-I116 WeakPolarHBondContact CA-O 3.43Å; K98-L117 HydrophobicContact CG-CD2 3.73Å
99V92.6Very high88Confident36 Ų3690.3 Ų90.322%0.21844%0.436CS..EExtended strand (participates in β ladder)trans-127.3142.1172.8-64.60000109.6V56 E115 I116 T118V56-V99 HydrophobicContact CG1-CG2 4.29Å; V99-E115 WeakPolarHBondContact O-CA 3.1Å; V99-I116 HydrophobicContact CG2-CD1 3.94Å; V99-I116 HydrophobicContact CG2-CG1 3.44Å; V99-I116 VanDerWaalsContact CG2-CG1 3.44Å; V99-I116 PolarHBondContact N-O 3.45Å; V99-I116 PolarHBondContact O-N 3.36Å; V99-T118 HydrophobicContact CG1-CG2 3.67Å; V99-T118 HydrophobicContact CG2-CG2 4.24Å
100K91.4Very high86.6Confident115 Ų11591.3 Ų91.350%0.545%0.446SS..EExtended strand (participates in β ladder)trans-91.5127.4-178.5-77.8165.2162.6-127.30109.9E113 I114 E115K100-E113 HydrophobicContact CB-CG 3.69Å; K100-E113 VanDerWaalsContact CB-OE1 3.27Å; K100-E113 WeakPolarHBondContact CB-OE1 3.48Å; K100-E113 VanDerWaalsContact CD-CD 3.48Å; K100-E113 HydrophobicContact CD-CG 4.33Å; K100-E113 WeakPolarHBondContact CD-OE1 3.46Å; K100-E113 WeakPolarHBondContact CD-OE2 3.49Å; K100-E113 WeakPolarHBondContact CE-OE2 3.48Å; K100-E113 HydrophobicContact CG-CG 3.91Å; K100-E113 IonicContact NZ-OE2 3.39Å; K100-E113 PolarHBondContact NZ-OE2 2.92Å; K100-I114 CarbonylContact C-O 3.6Å; K100-I114 WeakPolarHBondContact CA-O 3.48Å; K100-E115 WeakPolarHBondContact CE-OE1 3.46Å; K100-E115 HydrophobicContact CG-CG 3.9Å
101V89.9Confident85.4Confident5 Ų597 Ų973%0.0346%0.461CS..EExtended strand (participates in β ladder)trans-112.2125.6178.4-175.20000109.7I42 H54 L103 E113 I114 I116I42-V101 HydrophobicContact CD1-CB 4Å; I42-V101 HydrophobicContact CD1-CG1 4.01Å; I42-V101 HydrophobicContact CD1-CG2 3.72Å; H54-V101 HydrophobicContact CB-CG1 4.16Å; H54-V101 HydrophobicContact CB-CG2 3.71Å; V101-L103 HydrophobicContact CG1-CD2 4.29Å; V101-E113 WeakPolarHBondContact O-CA 3.12Å; V101-I114 PolarHBondContact N-O 2.96Å; V101-I114 PolarHBondContact O-N 3.01Å; V101-I116 HydrophobicContact CG2-CD1 3.55Å; V101-I116 HydrophobicContact CG2-CG1 3.95Å
102R88.1Confident84.4Confident185 Ų18598.8 Ų98.870%0.69847%0.468SS*.EExtended strand (participates in β ladder)trans-80.2128.9170.9-68.5-177.8169.8144.5-1.5109.7
103L88.4Confident83.8Confident1 Ų1101.3 Ų101.31%0.00548%0.477CS..EExtended strand (participates in β ladder)trans-97.6136.8172.8-54.8-174000110.1I42 C50 V101 D112 I114I42-L103 HydrophobicContact CB-CD2 4.19Å; I42-L103 HydrophobicContact CG2-CD2 4.01Å; C50-L103 HydrophobicContact CB-CB 4.28Å; C50-L103 HydrophobicContact CB-CD1 4.33Å; V101-L103 HydrophobicContact CG1-CD2 4.29Å; L103-D112 HydrophobicContact CB-CB 4.4Å; L103-D112 HydrophobicContact CD1-CB 4.31Å; L103-D112 PolarHBondContact N-O 3.35Å; L103-I114 HydrophobicContact CD1-CD1 3.57Å; L103-I114 HydrophobicContact CD1-CG1 4.02Å; L103-I114 HydrophobicContact CG-CD1 4.47Å
104D85.9Confident83.4Confident108 Ų10899.6 Ų99.658%0.57847%0.468SS*.BIsolated β-bridgetrans-92125170.6-172.511.1000109.4C50 K51C50-D104 WeakPolarHBondContact CA-O 3.11Å; K51-D104 PolarHBondContact N-O 2.97Å; K51-D104 PolarHBondContact O-N 3.37Å
105C84Confident83.2Confident13 Ų13102.4 Ų102.49%0.08848%0.476CS..  trans-123.6107.2-173.6-67.20000109.3C50 R107 G108C50-C105 HydrophobicContact CB-CB 4.21Å; C50-C105 WeakPolarHBondContact CB-SG 3.33Å; C50-C105 WeakPolarHBondContact SG-CB 3.47Å; C50-C105 CovalentContact SG-SG 2.04Å; C50-C105 PolarHBondContact SG-SG 2.72Å; C105-R107 PolarHBondContact O-N 2.98Å; C105-G108 PolarHBondContact O-N 3.46Å
106P79.3Confident83Confident108 Ų10897.1 Ų97.170%0.70145%0.454SS*.THydrogen-bonded Turntrans-66.6-13.6-171.823.4-31000114.7T49T49-P106 WeakPolarHBondContact O-CD 3.32Å
107R74Confident82.8Confident239 Ų23997.7 Ų97.790%0.90246%0.456SS*.THydrogen-bonded Turntrans-110.7-0.7-179.4-61.8-174.7-168.6170.12.6114C105C105-R107 PolarHBondContact O-N 2.98Å
108G63.4Low82.8Confident39 Ų3996.7 Ų96.740%0.40245%0.447SS..  trans-118.8138.5-177.700000111.3C105 H110C105-G108 PolarHBondContact O-N 3.46Å; G108-H110 PolarHBondContact O-N 2.99Å
109R61.4Low82.9Confident248 Ų24889.9 Ų89.994%0.93642%0.418SS*.SBendtrans-79.816.9164.4-69.8-175.1-178.9176.20.7112.3
110H65.3Low83.2Confident146 Ų14694.2 Ų94.268%0.67643%0.434SS*.SBendtrans-123.5137.7-174.9-61.8-71.3000109.3G108G108-H110 PolarHBondContact O-N 2.99Å
111Y67.7Low83.4Confident172 Ų17290 Ų9068%0.67542%0.421SS*.  trans-93.9123.8170.1-62.3-77.9000108
112D74.7Confident83.7Confident72 Ų7290.9 Ų90.939%0.38543%0.427SS..EExtended strand (participates in β ladder)trans-83.2138.8168.9-69.7-23.2000109.2L103L103-D112 HydrophobicContact CB-CB 4.4Å; L103-D112 HydrophobicContact CD1-CB 4.31Å; L103-D112 PolarHBondContact N-O 3.35Å
113E80.6Confident84Confident98 Ų9888.2 Ų88.246%0.45842%0.417SS..EExtended strand (participates in β ladder)trans-111.9121.4176.2-168.2172.6-125.300109.3K100 V101K100-E113 HydrophobicContact CB-CG 3.69Å; K100-E113 VanDerWaalsContact CB-OE1 3.27Å; K100-E113 WeakPolarHBondContact CB-OE1 3.48Å; K100-E113 VanDerWaalsContact CD-CD 3.48Å; K100-E113 HydrophobicContact CD-CG 4.33Å; K100-E113 WeakPolarHBondContact CD-OE1 3.46Å; K100-E113 WeakPolarHBondContact CD-OE2 3.49Å; K100-E113 WeakPolarHBondContact CE-OE2 3.48Å; K100-E113 HydrophobicContact CG-CG 3.91Å; K100-E113 IonicContact NZ-OE2 3.39Å; K100-E113 PolarHBondContact NZ-OE2 2.92Å; V101-E113 WeakPolarHBondContact O-CA 3.12Å
114I86.4Confident84.3Confident55 Ų5589.9 Ų89.928%0.28243%0.428SS..EExtended strand (participates in β ladder)trans-115.1136.1176.5-60.3-171.2000109.2I42 K100 V101 L103 I116I42-I114 HydrophobicContact CG2-CD1 4.21Å; K100-I114 CarbonylContact C-O 3.6Å; K100-I114 WeakPolarHBondContact CA-O 3.48Å; V101-I114 PolarHBondContact N-O 2.96Å; V101-I114 PolarHBondContact O-N 3.01Å; L103-I114 HydrophobicContact CD1-CD1 3.57Å; L103-I114 HydrophobicContact CD1-CG1 4.02Å; L103-I114 HydrophobicContact CG-CD1 4.47Å; I114-I116 HydrophobicContact CG2-CG2 4.35Å
115E90.6Very high84.7Confident106 Ų10686.2 Ų86.250%0.49541%0.409SS..EExtended strand (participates in β ladder)trans-87.6128.5171.7-66.1-171.3164.700110.8K98 V99 K100K98-E115 IonicContact NZ-OE2 2.73Å; V99-E115 WeakPolarHBondContact O-CA 3.1Å; K100-E115 WeakPolarHBondContact CE-OE1 3.46Å; K100-E115 HydrophobicContact CG-CG 3.9Å
116I91.5Very high85.1Confident29 Ų2990.3 Ų90.315%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-122.7160.2172.767.9178.2000110.7V40 I42 H54 V56 K98 V99 V101 I114V40-I116 HydrophobicContact CG2-CD1 3.99Å; I42-I116 HydrophobicContact CD1-CB 4.47Å; I42-I116 HydrophobicContact CD1-CD1 3.64Å; I42-I116 HydrophobicContact CD1-CG1 4.46Å; I42-I116 HydrophobicContact CD1-CG2 3.45Å; I42-I116 VanDerWaalsContact CD1-CG2 3.45Å; I42-I116 HydrophobicContact CG1-CG2 4.24Å; H54-I116 HydrophobicContact CB-CD1 4.48Å; V56-I116 HydrophobicContact CG1-CD1 3.4Å; V56-I116 HydrophobicContact CG1-CG1 4.26Å; K98-I116 CarbonylContact C-O 3.59Å; K98-I116 WeakPolarHBondContact CA-O 3.43Å; V99-I116 HydrophobicContact CG2-CD1 3.94Å; V99-I116 HydrophobicContact CG2-CG1 3.44Å; V99-I116 VanDerWaalsContact CG2-CG1 3.44Å; V99-I116 PolarHBondContact N-O 3.45Å; V99-I116 PolarHBondContact O-N 3.36Å; V101-I116 HydrophobicContact CG2-CD1 3.55Å; V101-I116 HydrophobicContact CG2-CG1 3.95Å; I114-I116 HydrophobicContact CG2-CG2 4.35Å
117L93.2Very high85.6Confident104 Ų10487.2 Ų87.255%0.54541%0.408SS..EExtended strand (participates in β ladder)trans-87.9142.1173.9-63.1177.2000111.3D96 A97 K98D96-L117 WeakPolarHBondContact OD2-CD2 3.37Å; A97-L117 WeakPolarHBondContact O-CA 3.44Å; K98-L117 HydrophobicContact CG-CD2 3.73Å
118T95.9Very high86.1Confident7 Ų785.2 Ų85.24%0.04340%0.401CS..EExtended strand (participates in β ladder)trans-132.2140.1170.6-173.70000109.3Y57 D96 A97 V99Y57-T118 PolarHBondContact N-OG1 3Å; D96-T118 CarbonylContact C-O 3.6Å; D96-T118 WeakPolarHBondContact CA-O 3.47Å; A97-T118 HydrophobicContact CB-CG2 4.14Å; A97-T118 PolarHBondContact N-O 3.4Å; A97-T118 WeakPolarHBondContact O-CG2 3.39Å; A97-T118 PolarHBondContact O-N 3.03Å; V99-T118 HydrophobicContact CG1-CG2 3.67Å; V99-T118 HydrophobicContact CG2-CG2 4.24Å
119A97.1Very high86.6Confident1 Ų193.3 Ų93.31%0.00842%0.424CS..EExtended strand (participates in β ladder)trans-71.1140.3177.500000110.9L35 Y57 I93L35-A119 HydrophobicContact CD2-CB 3.59Å; Y57-A119 WeakPolarHBondContact CB-O 3.4Å; Y57-A119 VanDerWaalsContact O-CB 3.26Å; Y57-A119 WeakPolarHBondContact O-CB 3.45Å; Y57-A119 PolarHBondContact O-N 3.5Å; I93-A119 HydrophobicContact CD1-CB 4.24Å; I93-A119 HydrophobicContact CG1-CB 4.05Å; I93-A119 HydrophobicContact CG2-CB 4.07Å
120K97.4Very high86.5Confident127 Ų12785 Ų8555%0.55240%0.404SS*.EExtended strand (participates in β ladder)trans-112.8-23.6172.4-71-64.6-172.8-179.40112.8L35 K95 A97L35-K120 WeakPolarHBondContact CD1-O 3.32Å; K95-K120 HydrophobicContact CB-CB 4.12Å; K95-K120 WeakPolarHBondContact O-CA 3.27Å; K95-K120 PolarHBondContact O-N 2.69Å; A97-K120 HydrophobicContact CB-CD 4.29Å; A97-K120 HydrophobicContact CB-CG 3.77Å
121A96.5Very high86Confident27 Ų2790 Ų9022%0.22342%0.417CS..EExtended strand (participates in β ladder)trans-153150.2171.400000110.1S94 K95S94-A121 PolarHBondContact N-O 2.95Å; S94-A121 VanDerWaalsContact OG-C 3.24Å; S94-A121 VanDerWaalsContact OG-CB 3.25Å; S94-A121 WeakPolarHBondContact OG-CB 3.45Å; S94-A121 PolarHBondContact OG-O 3.39Å; K95-A121 HydrophobicContact CB-CB 4.01Å; K95-A121 HydrophobicContact CD-CB 4.33Å; K95-A121 HydrophobicContact CG-CB 4.21Å; K95-A121 PolarHBondContact N-O 3.41Å; K95-A121 PolarHBondContact O-N 3.48Å; K95-A121 VanDerWaalsContact O-N 3.12Å
122C95.9Very high85.1Confident24 Ų2495 Ų9516%0.16244%0.437CS..EExtended strand (participates in β ladder)trans-122.6148.7-179.9-61.80000109.9L35 C59 T92L35-C122 VanDerWaalsContact CD2-SG 3.52Å; C59-C122 WeakPolarHBondContact CA-SG 3.27Å; C59-C122 HydrophobicContact CB-CB 3.77Å; C59-C122 WeakPolarHBondContact CB-SG 3.46Å; C59-C122 VanDerWaalsContact SG-CA 3.58Å; C59-C122 WeakPolarHBondContact SG-CB 3.4Å; C59-C122 CovalentContact SG-SG 2.03Å; C59-C122 PolarHBondContact SG-SG 3.49Å; T92-C122 WeakPolarHBondContact O-CA 3.27Å
123R95.2Very high85.6Confident128 Ų12896.1 Ų96.148%0.48344%0.439SS..EExtended strand (participates in β ladder)trans-151.4156.5174.178.8-175.3-178.6-177.94112.4T92 D125T92-R123 PolarHBondContact N-O 3.11Å; T92-R123 PolarHBondContact O-N 3.39Å; T92-R123 PolarHBondContact OG1-O 3.36Å; R123-D125 HydrophobicContact CG-CB 4.24Å; R123-D125 IonicContact CZ-OD2 2.73Å; R123-D125 IonicContact NE-OD2 3.44Å; R123-D125 PolarHBondContact NE-OD2 3.4Å; R123-D125 IonicContact NH2-OD2 3.76Å; R123-D125 PolarHBondContact NH2-OD2 2.98Å; R123-D125 PolarHBondContact O-N 3.22Å
124C95.1Very high85.9Confident37 Ų3796 Ų9625%0.2544%0.438CS..EExtended strand (participates in β ladder)trans-80.9108.4167.1-67.30000110.8C63 R89C63-C124 VanDerWaalsContact CA-SG 3.53Å; C63-C124 HydrophobicContact CB-CB 3.68Å; C63-C124 WeakPolarHBondContact CB-SG 3.47Å; C63-C124 WeakPolarHBondContact SG-CA 3.23Å; C63-C124 WeakPolarHBondContact SG-CB 3.4Å; C63-C124 CovalentContact SG-SG 2.03Å; C63-C124 PolarHBondContact SG-SG 3.08Å; R89-C124 PolarHBondContact NE-O 3.36Å; R89-C124 PolarHBondContact NH2-O 2.97Å; R89-C124 VanDerWaalsContact NH2-O 3.11Å
125D93.6Very high85.8Confident31 Ų3198.3 Ų98.317%0.16645%0.447CS..EExtended strand (participates in β ladder)trans-124163.8-179.7-158.5-0.5000111R89 C90 R123 C127R89-D125 CarbonylContact C-O 3.59Å; R89-D125 VanDerWaalsContact CA-O 3.23Å; R89-D125 WeakPolarHBondContact CA-O 3.32Å; C90-D125 PolarHBondContact N-O 3.4Å; C90-D125 PolarHBondContact O-N 3.42Å; R123-D125 HydrophobicContact CG-CB 4.24Å; R123-D125 IonicContact CZ-OD2 2.73Å; R123-D125 IonicContact NE-OD2 3.44Å; R123-D125 PolarHBondContact NE-OD2 3.4Å; R123-D125 IonicContact NH2-OD2 3.76Å; R123-D125 PolarHBondContact NH2-OD2 2.98Å; R123-D125 PolarHBondContact O-N 3.22Å; D125-C127 PolarHBondContact O-N 3.33Å
126M91.9Very high85.6Confident99 Ų9997.8 Ų97.849%0.48844%0.444SS..EExtended strand (participates in β ladder)trans-53.9130.8174.5-171.273.78500109.5S88 R128S88-M126 WeakPolarHBondContact O-CA 3.5Å; S88-M126 VanDerWaalsContact O-SD 3.33Å; M126-R128 PolarHBondContact O-N 3.1Å
127C90.9Very high85.2Confident43 Ų43102.1 Ų102.129%0.29146%0.463SS..  trans-60.8111.4176.2-63.90000109.4S88 C90 D125S88-C127 PolarHBondContact O-N 3.42Å; C90-C127 HydrophobicContact CB-CB 4.07Å; C90-C127 WeakPolarHBondContact CB-SG 3.35Å; C90-C127 PolarHBondContact N-SG 3.14Å; C90-C127 WeakPolarHBondContact SG-CB 3.46Å; C90-C127 CovalentContact SG-SG 2.04Å; C90-C127 PolarHBondContact SG-SG 3.35Å; D125-C127 PolarHBondContact O-N 3.33Å
128R84.7Confident84.7Confident197 Ų197102 Ų10274%0.74346%0.457SS*.PPolyproline II helixtrans-92.7133.9172.6-62.5-178.1-173.6-171.8-0.4107.9M126 S130M126-R128 PolarHBondContact O-N 3.1Å; R128-S130 PolarHBondContact O-N 3.5Å; R128-S130 VanDerWaalsContact O-N 3.09Å
129K73.6Confident83.9Confident208 Ų208108.8 Ų108.890%0.90449%0.487SS*.PPolyproline II helixtrans-58.7119165.9-164.7172.8-176.6177.80106.6R131K129-R131 PolarHBondContact O-N 3.3Å
130S58.4Low82.8Confident73 Ų73117.1 Ų117.151%0.5152%0.524SS..PPolyproline II helixtrans-57.3132.4-176.248.50000110.8R128 Y132R128-S130 PolarHBondContact O-N 3.5Å; R128-S130 VanDerWaalsContact O-N 3.09Å; S130-Y132 VanDerWaalsContact C-N 3.3Å; S130-Y132 PolarHBondContact O-N 3.28Å
131R55.9Low81.6Confident252 Ų252116.3 Ų116.395%0.95152%0.521SS*.  trans-98.853.8170.6-148.8-158.5-61.1-158.14.5108.7K129K129-R131 PolarHBondContact O-N 3.3Å
132Y47.9Very low80.3Confident276 Ų276124.4 Ų124.4100%1.08255%0.548SS*.  trans-101.40175.5-49.2-51.2000109.1S130S130-Y132 VanDerWaalsContact C-N 3.3Å; S130-Y132 PolarHBondContact O-N 3.28Å

Retrieved 132 of 132 residues in 153.5 ms (Link to these results)

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