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Anaphase-promoting complex subunit 10

Component of the anaphase promoting complex/cyclosome (APC/C), a cell cycle-regulated E3 ubiquitin-protein ligase complex that controls progression through mitosis and the G1 phase of the cell cycle.

AlphaFold DB , UniProt , Accession A0A5K4FCG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 185 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
1M41.4Very low61.5Low230 Ų230105.6 Ų105.6100%1.13353%0.532SS*.  0114.50-72.5-73.8-176.900106.5
2P54.5Low62.9Low58 Ų58102.9 Ų102.938%0.37752%0.52SS..PPolyproline II helixtrans-62.2141.2174.726-31.6000109.6K4 E107 E110P2-K4 PolarHBondContact O-N 3.34Å; P2-E107 VanDerWaalsContact CB-OE1 3.3Å; P2-E107 WeakPolarHBondContact CB-OE1 3.37Å; P2-E107 WeakPolarHBondContact CG-OE1 3.46Å; P2-E110 HydrophobicContact CB-CB 4.48Å
3F58.4Low64.3Low133 Ų13395.2 Ų95.258%0.58348%0.481SS*.EExtended strand (participates in β ladder)trans-67.2126.4175.3-115.4-95.4000108.5E110 P127F3-E110 PolarHBondContact O-N 3.01Å; F3-P127 HydrophobicContact CD2-CB 4.29Å; F3-P127 HydrophobicContact CE2-CB 4.41Å
4K66Low65.7Low122 Ų12290.6 Ų90.653%0.5346%0.461SS..EExtended strand (participates in β ladder)trans-91.8119.7173.1-71.9-167.5173.2-1600109.6P2 E110 E112P2-K4 PolarHBondContact O-N 3.34Å; K4-E110 WeakPolarHBondContact CA-O 3.39Å; K4-E110 VanDerWaalsContact CE-OE2 3.31Å; K4-E110 WeakPolarHBondContact CE-OE2 3.47Å; K4-E112 IonicContact NZ-OE1 2.83Å; K4-E112 PolarHBondContact NZ-OE1 2.7Å
5L65.7Low66.9Low58 Ų5892 Ų9230%0.30446%0.462SS..EExtended strand (participates in β ladder)trans-112.1133.1175.3-107.9139.7000109.3L109 E110 V111 E112 P123L5-L109 HydrophobicContact CD1-CD2 4.39Å; L5-E110 PolarHBondContact N-O 2.96Å; L5-V111 WeakPolarHBondContact O-CA 3.29Å; L5-E112 PolarHBondContact O-N 3.1Å; L5-P123 HydrophobicContact CD1-CG 4.4Å; L5-P123 HydrophobicContact CD2-CG 4.24Å
6K67.1Low68Low128 Ų12888.9 Ų88.956%0.55745%0.448SS*.EExtended strand (participates in β ladder)trans-80.7129.6160.7-73.3-164.7177.2-164.50107.6
7A62.6Low69Low24 Ų2486.6 Ų86.620%0.19844%0.435CS..PPolyproline II helixtrans-63.4142.9172.700000110.5V111 L113A7-V111 HydrophobicContact CB-CG1 4.2Å; A7-L113 HydrophobicContact CB-CD2 3.35Å
8I67.9Low70Confident95 Ų9591.2 Ų91.249%0.48745%0.446SS..EExtended strand (participates in β ladder)trans-87.8118.6173.5-53.2172.7000107F11 V121I8-F11 HydrophobicContact CG2-CD2 3.81Å; I8-F11 HydrophobicContact CG2-CE2 3.96Å; I8-V121 PolarHBondContact O-N 3.22Å; I8-V121 VanDerWaalsContact O-N 3.17Å
9S63.3Low70.9Confident66 Ų6690.6 Ų90.646%0.46245%0.445SS..EExtended strand (participates in β ladder)trans-91.5156.217654.40000111.6
10N61.2Low71.6Confident137 Ų13788.3 Ų88.373%0.73345%0.446SS*.SBendtrans69.541177.1-58.5-32.2000116.6
11F68.8Low72.4Confident111 Ų11189.9 Ų89.949%0.48745%0.45SS..  trans-97.4139.4168.3-109.2-97.5000112I8 V13 V121I8-F11 HydrophobicContact CG2-CD2 3.81Å; I8-F11 HydrophobicContact CG2-CE2 3.96Å; F11-V13 PolarHBondContact O-N 2.66Å; F11-V121 HydrophobicContact CB-CG2 3.9Å
12D78Confident74.8Confident73 Ų7379.5 Ų79.539%0.3940%0.399SS..  trans-71.596.1160.7-178.5-5.7000108.8T14 K15 R18D12-T14 PolarHBondContact O-N 2.82Å; D12-T14 WeakPolarHBondContact OD1-CB 3.36Å; D12-T14 PolarHBondContact OD1-N 3.4Å; D12-T14 PolarHBondContact OD1-OG1 3.1Å; D12-K15 HydrophobicContact CB-CB 4.24Å; D12-K15 WeakPolarHBondContact O-CB 3.47Å; D12-K15 PolarHBondContact O-N 2.99Å; D12-K15 PolarHBondContact OD1-N 3.41Å; D12-R18 IonicContact OD1-NH2 2.77Å; D12-R18 IonicContact OD2-CZ 2.79Å; D12-R18 IonicContact OD2-NH1 3.09Å; D12-R18 IonicContact OD2-NH2 3.77Å; D12-R18 PolarHBondContact OD2-NH2 3.21Å
13V81.4Confident76.6Confident2 Ų281.5 Ų81.51%0.01240%0.399CS..THydrogen-bonded Turntrans-63-27.4-177.7-64.10000112.5F11 K15 C78 W119 V121 H159F11-V13 PolarHBondContact O-N 2.66Å; V13-K15 VanDerWaalsContact C-N 3.34Å; V13-C78 HydrophobicContact CG1-CB 3.98Å; V13-W119 HydrophobicContact CB-CG 4.47Å; V13-W119 HydrophobicContact CG1-CB 3.58Å; V13-W119 HydrophobicContact CG1-CD2 3.91Å; V13-W119 HydrophobicContact CG1-CE3 4.31Å; V13-W119 HydrophobicContact CG1-CG 3.59Å; V13-W119 HydrophobicContact CG2-CD2 3.86Å; V13-W119 HydrophobicContact CG2-CE3 4.5Å; V13-W119 HydrophobicContact CG2-CG 4Å; V13-W119 HydrophobicContact CG2-CZ2 4.29Å; V13-V121 HydrophobicContact CG1-CG2 3.83Å; V13-H159 PolarHBondContact O-CE1 2.82Å; V13-H159 VanDerWaalsContact O-CE1 3.3Å
14T83.2Confident78.3Confident32 Ų3277.8 Ų77.820%0.19639%0.385CS..THydrogen-bonded Turntrans-79.5-15-178.870.10000113D12 D16 E17 R18D12-T14 PolarHBondContact O-N 2.82Å; D12-T14 WeakPolarHBondContact OD1-CB 3.36Å; D12-T14 PolarHBondContact OD1-N 3.4Å; D12-T14 PolarHBondContact OD1-OG1 3.1Å; T14-D16 PolarHBondContact O-N 2.72Å; T14-E17 WeakPolarHBondContact O-CB 3.36Å; T14-E17 PolarHBondContact O-N 3.31Å; T14-E17 VanDerWaalsContact O-N 3.14Å; T14-R18 WeakPolarHBondContact O-CG 3.42Å; T14-R18 PolarHBondContact O-N 3.39Å; T14-R18 PolarHBondContact OG1-NH1 3.28Å
15K84.7Confident79.7Confident111 Ų11172 Ų7248%0.48336%0.36SS..Hα-helixtrans-57.2-49.6-177.6-177.5-178.3176.6-178.70112.3D12 V13 E17 R18 D19D12-K15 HydrophobicContact CB-CB 4.24Å; D12-K15 WeakPolarHBondContact O-CB 3.47Å; D12-K15 PolarHBondContact O-N 2.99Å; D12-K15 PolarHBondContact OD1-N 3.41Å; V13-K15 VanDerWaalsContact C-N 3.34Å; K15-E17 PolarHBondContact O-N 3.41Å; K15-R18 PolarHBondContact O-N 3.09Å; K15-D19 WeakPolarHBondContact O-CB 3.25Å; K15-D19 PolarHBondContact O-N 3.15Å
16D84.3Confident81.1Confident43 Ų4369.6 Ų69.623%0.2335%0.349CS..Hα-helixtrans-68.9-25.9-179-66.4-31.7000112.5T14 G20 K21 V22 K76T14-D16 PolarHBondContact O-N 2.72Å; D16-G20 PolarHBondContact O-N 2.8Å; D16-K21 HydrophobicContact CB-CB 4.41Å; D16-K21 PolarHBondContact O-N 3.38Å; D16-V22 HydrophobicContact CB-CG1 4.32Å; D16-V22 HydrophobicContact CB-CG2 3.51Å; D16-V22 PolarHBondContact O-N 3.22Å; D16-K76 IonicContact OD2-NZ 3.55Å; D16-K76 PolarHBondContact OD2-NZ 2.89Å
17E85.2Confident82.4Confident49 Ų4969.6 Ų69.623%0.22936%0.355CS..Hα-helixtrans-69.4-47172.4-65170.9-158.700110.2T14 K15 D19 G20 V22 R157 H159T14-E17 WeakPolarHBondContact O-CB 3.36Å; T14-E17 PolarHBondContact O-N 3.31Å; T14-E17 VanDerWaalsContact O-N 3.14Å; K15-E17 PolarHBondContact O-N 3.41Å; E17-D19 VanDerWaalsContact C-N 3.3Å; E17-D19 PolarHBondContact O-N 3.33Å; E17-G20 PolarHBondContact O-N 2.91Å; E17-V22 WeakPolarHBondContact CA-O 3.33Å; E17-V22 HydrophobicContact CG-CG2 3.93Å; E17-R157 VanDerWaalsContact CD-NH1 3.25Å; E17-R157 IonicContact OE1-CZ 3.66Å; E17-R157 IonicContact OE1-NH1 3.43Å; E17-R157 PolarHBondContact OE1-NH1 3.34Å; E17-R157 IonicContact OE2-NH1 3.45Å; E17-R157 PolarHBondContact OE2-NH1 2.96Å; E17-H159 IonicContact OE1-CE1 2.8Å; E17-H159 PolarHBondContact OE1-CE1 3.43Å; E17-H159 IonicContact OE1-ND1 3.65Å; E17-H159 IonicContact OE1-NE2 3.61Å; E17-H159 PolarHBondContact OE1-NE2 2.79Å; E17-H159 VanDerWaalsContact OE1-NE2 3.15Å
18R85.5Confident83.9Confident169 Ų16971.6 Ų71.664%0.63836%0.36SS*.Hα-helixtrans-63.8-35176.3-68.6-168-59.2-115.1-4112.6D12 T14 K15 G20D12-R18 IonicContact OD1-NH2 2.77Å; D12-R18 IonicContact OD2-CZ 2.79Å; D12-R18 IonicContact OD2-NH1 3.09Å; D12-R18 IonicContact OD2-NH2 3.77Å; D12-R18 PolarHBondContact OD2-NH2 3.21Å; T14-R18 WeakPolarHBondContact O-CG 3.42Å; T14-R18 PolarHBondContact O-N 3.39Å; T14-R18 PolarHBondContact OG1-NH1 3.28Å; K15-R18 PolarHBondContact O-N 3.09Å; R18-G20 PolarHBondContact O-N 3.12Å
19D87.4Confident85.2Confident81 Ų8168 Ų6843%0.43334%0.344SS..THydrogen-bonded Turntrans-72.6-4.2173.6-72.8-0.7000112.7K15 E17 K21K15-D19 WeakPolarHBondContact O-CB 3.25Å; K15-D19 PolarHBondContact O-N 3.15Å; E17-D19 VanDerWaalsContact C-N 3.3Å; E17-D19 PolarHBondContact O-N 3.33Å; D19-K21 HydrophobicContact CB-CD 3.97Å; D19-K21 HydrophobicContact CB-CG 4.03Å; D19-K21 PolarHBondContact O-N 2.96Å; D19-K21 IonicContact OD2-NZ 2.7Å; D19-K21 PolarHBondContact OD2-NZ 3.27Å
20G85.3Confident86.8Confident44 Ų4469.7 Ų69.745%0.45435%0.351SS..THydrogen-bonded Turntrans67.615.4-178.900000114.4D16 E17 R18 V162D16-G20 PolarHBondContact O-N 2.8Å; E17-G20 PolarHBondContact O-N 2.91Å; R18-G20 PolarHBondContact O-N 3.12Å; G20-V162 WeakPolarHBondContact O-CB 3.3Å; G20-V162 WeakPolarHBondContact O-CG2 3.21Å
21K87.7Confident88.6Confident122 Ų12264.2 Ų64.253%0.5332%0.32SS..SBendtrans-80.7-33.9-179.9-67.3170.1-178151.80111.8D16 D19 V162D16-K21 HydrophobicContact CB-CB 4.41Å; D16-K21 PolarHBondContact O-N 3.38Å; D19-K21 HydrophobicContact CB-CD 3.97Å; D19-K21 HydrophobicContact CB-CG 4.03Å; D19-K21 PolarHBondContact O-N 2.96Å; D19-K21 IonicContact OD2-NZ 2.7Å; D19-K21 PolarHBondContact OD2-NZ 3.27Å; K21-V162 PolarHBondContact O-N 2.72Å
22V92.4Very high90Very high12 Ų1261.6 Ų61.67%0.07332%0.315CS..EExtended strand (participates in β ladder)trans-133.3160.3179.4-56.30000110.4D16 E17 H159 S160D16-V22 HydrophobicContact CB-CG1 4.32Å; D16-V22 HydrophobicContact CB-CG2 3.51Å; D16-V22 PolarHBondContact O-N 3.22Å; E17-V22 WeakPolarHBondContact CA-O 3.33Å; E17-V22 HydrophobicContact CG-CG2 3.93Å; V22-H159 HydrophobicContact CB-CB 4.12Å; V22-H159 HydrophobicContact CG2-CB 4.16Å; V22-H159 WeakPolarHBondContact CG2-ND1 3.35Å; V22-S160 CarbonylContact C-O 3.5Å; V22-S160 WeakPolarHBondContact CA-O 3.46Å; V22-S160 WeakPolarHBondContact CB-O 3.48Å
23R93.2Very high90.9Very high99 Ų9959.7 Ų59.737%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-125.2144.7172.160.3178.9179.8-171.6-1.8109.7V25 H159 S160 V162R23-V25 HydrophobicContact CG-CG1 3.94Å; R23-H159 CarbonylContact O-C 3.59Å; R23-H159 VanDerWaalsContact O-CA 3.3Å; R23-H159 WeakPolarHBondContact O-CA 2.96Å; R23-S160 PolarHBondContact N-O 3.42Å; R23-S160 PolarHBondContact O-N 3.23Å; R23-V162 HydrophobicContact CB-CG2 4.21Å; R23-V162 HydrophobicContact CG-CG2 4.44Å
24D93.4Very high91.7Very high55 Ų5562.4 Ų62.429%0.29432%0.324SS..EExtended strand (participates in β ladder)trans-68.7135.4167.9-165.7-48.5000109.4C26D24-C26 WeakPolarHBondContact OD1-CB 3.15Å; D24-C26 PolarHBondContact OD1-N 3.31Å; D24-C26 PolarHBondContact OD1-SG 3.1Å
25V95.5Very high92.4Very high0 Ų061.8 Ų61.80%032%0.322CS..  trans-126.114.9-178-58.70000113.2R23 D27 H28 F68 M72 L74 L158R23-V25 HydrophobicContact CG-CG1 3.94Å; V25-D27 VanDerWaalsContact C-N 3.26Å; V25-D27 PolarHBondContact O-N 3.27Å; V25-H28 HydrophobicContact CB-CB 4.43Å; V25-H28 WeakPolarHBondContact O-CB 3.31Å; V25-H28 PolarHBondContact O-N 3.27Å; V25-F68 HydrophobicContact CB-CE1 4.41Å; V25-F68 HydrophobicContact CG2-CE1 4.14Å; V25-F68 HydrophobicContact CG2-CZ 4.14Å; V25-M72 HydrophobicContact CB-CE 3.91Å; V25-M72 HydrophobicContact CG1-CE 3.33Å; V25-M72 HydrophobicContact CG2-CE 4.38Å; V25-L74 HydrophobicContact CG2-CD2 4.02Å; V25-L158 HydrophobicContact CG2-CB 4.3Å; V25-L158 HydrophobicContact CG2-CD2 4.39Å; V25-L158 HydrophobicContact CG2-CG 3.97Å; V25-L158 VanDerWaalsContact CG2-O 3.28Å; V25-L158 WeakPolarHBondContact CG2-O 3.35Å; V25-L158 PolarHBondContact N-O 2.86Å
26C94.7Very high93Very high9 Ų959.3 Ų59.36%0.06132%0.317CS..G310 helixtrans-55.9-42176.4-70.20000111.9D24 H28 A29 W31 L46 L158D24-C26 WeakPolarHBondContact OD1-CB 3.15Å; D24-C26 PolarHBondContact OD1-N 3.31Å; D24-C26 PolarHBondContact OD1-SG 3.1Å; C26-H28 PolarHBondContact O-N 3Å; C26-A29 PolarHBondContact O-N 3.16Å; C26-W31 HydrophobicContact CB-CZ2 3.96Å; C26-W31 PolarHBondContact O-NE1 2.95Å; C26-L46 HydrophobicContact CB-CD2 4.2Å; C26-L158 PolarHBondContact SG-N 3.29Å; C26-L158 VanDerWaalsContact SG-N 3.36Å
27D94Very high93.7Very high128 Ų12861 Ų6168%0.68432%0.322SS*.G310 helixtrans-72.1-4.2178.7-70.8-12.2000114.5V25V25-D27 VanDerWaalsContact C-N 3.26Å; V25-D27 PolarHBondContact O-N 3.27Å
28H94.6Very high94.2Very high66 Ų6664.2 Ų64.231%0.30635%0.348SS..G310 helixtrans-99.6-0.4179.9-63.174.3000112.8V25 C26 F68 P69V25-H28 HydrophobicContact CB-CB 4.43Å; V25-H28 WeakPolarHBondContact O-CB 3.31Å; V25-H28 PolarHBondContact O-N 3.27Å; C26-H28 PolarHBondContact O-N 3Å; H28-F68 HydrophobicContact CB-CD1 4.39Å; H28-F68 HydrophobicContact CB-CE1 4.35Å; H28-P69 WeakPolarHBondContact O-CD 3.41Å
29A96.2Very high94.7Very high18 Ų1859 Ų5915%0.14935%0.347CS..SBendtrans-118.2154.2-177.400000112.2C26 I66 Q67 F68C26-A29 PolarHBondContact O-N 3.16Å; A29-I66 HydrophobicContact CB-CG2 3.39Å; A29-Q67 CarbonylContact C-O 3.6Å; A29-Q67 WeakPolarHBondContact CA-O 3.37Å; A29-F68 HydrophobicContact CB-CD1 3.85Å; A29-F68 HydrophobicContact CB-CE1 3.67Å; A29-F68 HydrophobicContact CB-CG 4.36Å; A29-F68 HydrophobicContact CB-CZ 4.03Å
30V97.2Very high95.2Very high102 Ų10258 Ų5862%0.61834%0.339SS*.EExtended strand (participates in β ladder)trans-90.3125.8162.6-1800000107.7Q67V30-Q67 PolarHBondContact N-O 3.06Å; V30-Q67 PolarHBondContact O-N 3.42Å
31W97.9Very high95.8Very high23 Ų2356.4 Ų56.49%0.08732%0.323CS..EExtended strand (participates in β ladder)trans-100.3140.3-178.9-65.675.7000110.2C26 I42 L45 L46 V64 N65 I66 I156C26-W31 HydrophobicContact CB-CZ2 3.96Å; C26-W31 PolarHBondContact O-NE1 2.95Å; W31-I42 HydrophobicContact CB-CD1 3.96Å; W31-I42 HydrophobicContact CB-CG1 4.35Å; W31-I42 HydrophobicContact CB-CG2 3.82Å; W31-I42 HydrophobicContact CG-CG2 4.33Å; W31-I42 VanDerWaalsContact O-CD1 3.31Å; W31-I42 WeakPolarHBondContact O-CD1 3.34Å; W31-L45 HydrophobicContact CZ3-CD2 4.47Å; W31-L46 HydrophobicContact CD2-CD1 4.25Å; W31-L46 HydrophobicContact CD2-CD2 4.1Å; W31-L46 HydrophobicContact CE3-CD2 4.3Å; W31-L46 HydrophobicContact CG-CD1 4.17Å; W31-L46 HydrophobicContact CH2-CD2 3.85Å; W31-L46 HydrophobicContact CZ2-CD2 3.63Å; W31-L46 HydrophobicContact CZ3-CD2 4.18Å; W31-V64 HydrophobicContact CE3-CG1 3.76Å; W31-V64 HydrophobicContact CZ3-CG1 3.78Å; W31-N65 WeakPolarHBondContact CA-O 3.2Å; W31-I66 HydrophobicContact CD2-CG1 4.17Å; W31-I66 HydrophobicContact CD2-CG2 4.4Å; W31-I66 HydrophobicContact CE3-CD1 4.12Å; W31-I66 HydrophobicContact CE3-CG1 3.66Å; W31-I66 HydrophobicContact CH2-CD1 3.35Å; W31-I66 HydrophobicContact CH2-CG1 3.78Å; W31-I66 HydrophobicContact CH2-CG2 4.31Å; W31-I66 HydrophobicContact CZ2-CD1 4.1Å; W31-I66 HydrophobicContact CZ2-CG1 4.26Å; W31-I66 HydrophobicContact CZ2-CG2 3.98Å; W31-I66 HydrophobicContact CZ3-CD1 3.36Å; W31-I66 HydrophobicContact CZ3-CG1 3.45Å; W31-I66 VanDerWaalsContact CZ3-CG1 3.45Å; W31-I156 HydrophobicContact CH2-CB 4.45Å; W31-I156 HydrophobicContact CH2-CD1 3.83Å; W31-I156 HydrophobicContact CH2-CG1 4.01Å; W31-I156 HydrophobicContact CH2-CG2 3.54Å; W31-I156 HydrophobicContact CZ2-CG2 4.48Å; W31-I156 HydrophobicContact CZ3-CD1 3.71Å; W31-I156 HydrophobicContact CZ3-CG1 4.31Å; W31-I156 HydrophobicContact CZ3-CG2 3.68Å
32S97.7Very high96.3Very high55 Ų5553 Ų5339%0.38531%0.31SS..EExtended strand (participates in β ladder)trans-141.7148.216759.30000111.1N65S32-N65 PolarHBondContact N-O 3.03Å; S32-N65 PolarHBondContact O-N 3.15Å; S32-N65 WeakPolarHBondContact OG-CB 3.4Å; S32-N65 PolarHBondContact OG-ND2 3.17Å
33L98.3Very high96.5Very high33 Ų3358.7 Ų58.717%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-113.1144.2-179.6-56.9171.9000108.8S35 C36 I42 L45 W54 V64L33-S35 PolarHBondContact O-N 2.86Å; L33-C36 HydrophobicContact CD1-CB 4.01Å; L33-I42 HydrophobicContact CD1-CG1 3.58Å; L33-I42 HydrophobicContact CD2-CG1 4.38Å; L33-I42 HydrophobicContact CG-CD1 4.37Å; L33-I42 HydrophobicContact CG-CG1 3.68Å; L33-L45 HydrophobicContact CD2-CD2 4.02Å; L33-W54 HydrophobicContact CD1-CG 4.13Å; L33-W54 HydrophobicContact CD2-CD2 4.13Å; L33-W54 HydrophobicContact CD2-CG 4.47Å; L33-W54 HydrophobicContact CD2-CZ2 4.28Å; L33-V64 HydrophobicContact CD2-CB 4.26Å; L33-V64 HydrophobicContact CD2-CG1 4.03Å; L33-V64 HydrophobicContact CD2-CG2 3.84Å
34S97.7Very high96.7Very high59 Ų5956.2 Ų56.241%0.41333%0.332SS..SBendtrans-58.8-38.2171.252.70000112.6C63S34-C63 PolarHBondContact N-O 2.96Å; S34-C63 PolarHBondContact OG-N 2.87Å; S34-C63 PolarHBondContact OG-O 3.46Å
35S98.1Very high96.8Very high20 Ų2053.6 Ų53.614%0.1432%0.318CS..  trans-161.8158.8176.659.40000109.4L33 W54 D57 G58L33-S35 PolarHBondContact O-N 2.86Å; S35-W54 PolarHBondContact O-NE1 2.95Å; S35-D57 WeakPolarHBondContact CB-O 3.35Å; S35-D57 PolarHBondContact OG-N 3.27Å; S35-G58 PolarHBondContact OG-N 2.88Å
36C97.8Very high96.8Very high58 Ų5856.4 Ų56.439%0.39233%0.333SS..  trans-154.2148.5167.160.30000111L33 Q55L33-C36 HydrophobicContact CD1-CB 4.01Å; C36-Q55 CarbonylContact C-O 3.49Å; C36-Q55 WeakPolarHBondContact CA-O 3.34Å
37K97.6Very high96.7Very high78 Ų7857.7 Ų57.734%0.33934%0.343SS..  trans-68.4148.5165.7-78.5-151.8179176.70110.8G39 H40 Q55 D57K37-G39 PolarHBondContact O-N 3.43Å; K37-H40 HydrophobicContact CB-CB 4.31Å; K37-H40 PolarHBondContact O-N 3.03Å; K37-Q55 HydrophobicContact CB-CB 4.44Å; K37-Q55 HydrophobicContact CB-CG 4.45Å; K37-Q55 HydrophobicContact CD-CG 4.34Å; K37-Q55 HydrophobicContact CG-CG 4.14Å; K37-Q55 PolarHBondContact N-O 3.45Å; K37-D57 HydrophobicContact CG-CB 3.74Å
38P96.9Very high96.3Very high118 Ų11860.3 Ų60.377%0.76635%0.351SS*.THydrogen-bonded Turntrans-53.4127.7173.6-25.534.4000111.5H40P38-H40 VanDerWaalsContact C-N 3.31Å; P38-H40 PolarHBondContact O-CD2 2.96Å; P38-H40 PolarHBondContact O-N 3.35Å
39G96.4Very high96.2Very high59 Ų5959.2 Ų59.261%0.60835%0.35SS*.THydrogen-bonded Turntrans811.2-179.100000115.8K37 Q44K37-G39 PolarHBondContact O-N 3.43Å; G39-Q44 PolarHBondContact O-NE2 2.67Å; G39-Q44 PolarHBondContact O-OE1 2.94Å
40H97.5Very high95.8Very high59 Ų5960.9 Ų60.927%0.27336%0.359SS..  trans-128.254.4-179.7-64-83.4000110.6K37 P38 F53 W54 Q55K37-H40 HydrophobicContact CB-CB 4.31Å; K37-H40 PolarHBondContact O-N 3.03Å; P38-H40 VanDerWaalsContact C-N 3.31Å; P38-H40 PolarHBondContact O-CD2 2.96Å; P38-H40 PolarHBondContact O-N 3.35Å; H40-F53 AromaticContact CE1-CE2 3.72Å; H40-F53 AromaticContact CE1-CZ 3.75Å; H40-F53 AromaticContact ND1-CD2 3.78Å; H40-F53 AromaticContact ND1-CE2 3.41Å; H40-F53 WeakPolarHBondContact ND1-CE2 3.37Å; H40-F53 AromaticContact ND1-CZ 3.85Å; H40-F53 PolarHBondContact ND1-O 2.91Å; H40-W54 WeakPolarHBondContact O-CA 3.5Å; H40-W54 VanDerWaalsContact O-CD1 3.25Å; H40-Q55 HydrophobicContact CB-CB 3.77Å; H40-Q55 PolarHBondContact O-N 3.1Å; H40-Q55 VanDerWaalsContact O-N 3.1Å
41G97.7Very high95.6Very high11 Ų1162 Ų6211%0.11336%0.361CS..SBendtrans-109.5-146.7-172.700000113.9D43 Q44 L45G41-D43 VanDerWaalsContact C-N 3.32Å; G41-D43 PolarHBondContact O-N 3.28Å; G41-Q44 PolarHBondContact O-N 3.07Å; G41-L45 PolarHBondContact O-N 2.87Å
42I97.2Very high95.5Very high52 Ų5263 Ų6327%0.26737%0.37SS..Hα-helixtrans-62.8-38.7-177.1-63.1168.8000111.3W31 L33 Q44 L45 L46W31-I42 HydrophobicContact CB-CD1 3.96Å; W31-I42 HydrophobicContact CB-CG1 4.35Å; W31-I42 HydrophobicContact CB-CG2 3.82Å; W31-I42 HydrophobicContact CG-CG2 4.33Å; W31-I42 VanDerWaalsContact O-CD1 3.31Å; W31-I42 WeakPolarHBondContact O-CD1 3.34Å; L33-I42 HydrophobicContact CD1-CG1 3.58Å; L33-I42 HydrophobicContact CD2-CG1 4.38Å; L33-I42 HydrophobicContact CG-CD1 4.37Å; L33-I42 HydrophobicContact CG-CG1 3.68Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 2.78Å; I42-L45 WeakPolarHBondContact O-CB 3.32Å; I42-L45 PolarHBondContact O-N 3.41Å; I42-L45 VanDerWaalsContact O-N 3.07Å; I42-L46 HydrophobicContact CG2-CD1 3.66Å; I42-L46 HydrophobicContact CG2-CG 4.12Å; I42-L46 PolarHBondContact O-N 2.88Å
43D96.3Very high95.5Very high130 Ų13062 Ų6270%0.69536%0.359SS*.Hα-helixtrans-60.5-40.4-178.6-62-21.4000111.5G41 S47G41-D43 VanDerWaalsContact C-N 3.32Å; G41-D43 PolarHBondContact O-N 3.28Å; D43-S47 WeakPolarHBondContact O-CB 3.4Å; D43-S47 PolarHBondContact O-N 3.44Å; D43-S47 VanDerWaalsContact O-N 3.14Å
44Q97.2Very high95.5Very high47 Ų4760.5 Ų60.522%0.2235%0.351CS..Hα-helixtrans-72.6-33.9176.4-7067.940.800111.5G39 G41 I42 S47 T52 F53G39-Q44 PolarHBondContact O-NE2 2.67Å; G39-Q44 PolarHBondContact O-OE1 2.94Å; G41-Q44 PolarHBondContact O-N 3.07Å; I42-Q44 VanDerWaalsContact C-N 3.28Å; I42-Q44 PolarHBondContact O-N 2.78Å; Q44-S47 VanDerWaalsContact O-CB 3.27Å; Q44-S47 WeakPolarHBondContact O-CB 3.3Å; Q44-S47 PolarHBondContact O-N 3.43Å; Q44-T52 HydrophobicContact CG-CG2 4.46Å; Q44-F53 VanDerWaalsContact CB-O 3.29Å; Q44-F53 WeakPolarHBondContact CB-O 3.25Å
45L96.1Very high95.5Very high0 Ų058.4 Ų58.40%034%0.335CS..Hα-helixtrans-68.5-35.9177.7-177.557.2000113W31 L33 G41 I42 W54 V64 L153 A155 I156W31-L45 HydrophobicContact CZ3-CD2 4.47Å; L33-L45 HydrophobicContact CD2-CD2 4.02Å; G41-L45 PolarHBondContact O-N 2.87Å; I42-L45 WeakPolarHBondContact O-CB 3.32Å; I42-L45 PolarHBondContact O-N 3.41Å; I42-L45 VanDerWaalsContact O-N 3.07Å; L45-W54 HydrophobicContact CB-CB 3.97Å; L45-W54 HydrophobicContact CD1-CB 4.33Å; L45-W54 HydrophobicContact CD2-CE3 4.47Å; L45-V64 HydrophobicContact CD2-CG1 3.93Å; L45-V64 HydrophobicContact CD2-CG2 4.15Å; L45-L153 HydrophobicContact CD1-CB 3.99Å; L45-L153 HydrophobicContact CD1-CD2 3.53Å; L45-L153 HydrophobicContact CD1-CG 3.61Å; L45-A155 WeakPolarHBondContact O-CA 3.18Å; L45-I156 HydrophobicContact CD1-CB 4.04Å; L45-I156 HydrophobicContact CD1-CG2 3.96Å; L45-I156 HydrophobicContact CD2-CG2 4.27Å; L45-I156 HydrophobicContact CG-CB 4.31Å; L45-I156 HydrophobicContact CG-CG2 3.66Å; L45-I156 PolarHBondContact O-N 3.22Å; L45-I156 VanDerWaalsContact O-N 3.12Å
46L95.9Very high95.5Very high59 Ų5957.5 Ų57.531%0.30933%0.328SS..SBendtrans-92.92.1178.5-61.7178.9000113.1C26 W31 I42 I156C26-L46 HydrophobicContact CB-CD2 4.2Å; W31-L46 HydrophobicContact CD2-CD1 4.25Å; W31-L46 HydrophobicContact CD2-CD2 4.1Å; W31-L46 HydrophobicContact CE3-CD2 4.3Å; W31-L46 HydrophobicContact CG-CD1 4.17Å; W31-L46 HydrophobicContact CH2-CD2 3.85Å; W31-L46 HydrophobicContact CZ2-CD2 3.63Å; W31-L46 HydrophobicContact CZ3-CD2 4.18Å; I42-L46 HydrophobicContact CG2-CD1 3.66Å; I42-L46 HydrophobicContact CG2-CG 4.12Å; I42-L46 PolarHBondContact O-N 2.88Å; L46-I156 HydrophobicContact CD2-CG2 3.57Å
47S92.4Very high95.5Very high37 Ų3758.9 Ų58.926%0.25933%0.332SS..  trans-65.2146.4177-178.60000111.3D43 Q44 S49 T52D43-S47 WeakPolarHBondContact O-CB 3.4Å; D43-S47 PolarHBondContact O-N 3.44Å; D43-S47 VanDerWaalsContact O-N 3.14Å; Q44-S47 VanDerWaalsContact O-CB 3.27Å; Q44-S47 WeakPolarHBondContact O-CB 3.3Å; Q44-S47 PolarHBondContact O-N 3.43Å; S47-S49 VanDerWaalsContact C-N 3.26Å; S47-S49 PolarHBondContact OG-N 2.87Å; S47-S49 VanDerWaalsContact OG-N 3.14Å; S47-T52 VanDerWaalsContact CB-OG1 3.24Å; S47-T52 WeakPolarHBondContact CB-OG1 3.35Å; S47-T52 PolarHBondContact OG-OG1 2.87Å; S47-T52 VanDerWaalsContact OG-OG1 3.06Å
48E86.7Confident95.4Very high183 Ų18356 Ų5686%0.85532%0.324SS*.SBendtrans-75.9-17.8170.3-63.7-176.3169.500112.3
49S90.8Very high95.3Very high42 Ų4255.7 Ų55.729%0.29432%0.322SS..  trans-79.5128.6179.5174.90000111.2S47 D51 T52S47-S49 VanDerWaalsContact C-N 3.26Å; S47-S49 PolarHBondContact OG-N 2.87Å; S47-S49 VanDerWaalsContact OG-N 3.14Å; S49-D51 PolarHBondContact O-N 3.12Å; S49-D51 WeakPolarHBondContact OG-CB 3.44Å; S49-D51 PolarHBondContact OG-N 2.88Å; S49-D51 VanDerWaalsContact OG-N 3.11Å; S49-T52 PolarHBondContact O-OG1 2.89Å; S49-T52 VanDerWaalsContact O-OG1 3.07Å
50T88.6Confident95.3Very high53 Ų5357.3 Ų57.333%0.32531%0.314SS..THydrogen-bonded Turntrans-76.6-6172.353.10000113.2Y80 R154T50-Y80 HydrophobicContact CG2-CD1 4.12Å; T50-Y80 HydrophobicContact CG2-CD2 4.05Å; T50-Y80 HydrophobicContact CG2-CE1 3.75Å; T50-Y80 HydrophobicContact CG2-CE2 3.65Å; T50-Y80 HydrophobicContact CG2-CG 4.25Å; T50-Y80 VanDerWaalsContact CG2-CZ 3.48Å; T50-R154 WeakPolarHBondContact O-CD 3.33Å; T50-R154 PolarHBondContact O-NH1 2.89Å
51D92.4Very high95.3Very high127 Ų12757.1 Ų57.168%0.67932%0.318SS*.THydrogen-bonded Turntrans-83.8-24.6179.4-57.1-40.7000111.7S49S49-D51 PolarHBondContact O-N 3.12Å; S49-D51 WeakPolarHBondContact OG-CB 3.44Å; S49-D51 PolarHBondContact OG-N 2.88Å; S49-D51 VanDerWaalsContact OG-N 3.11Å
52T95.6Very high95.3Very high44 Ų4456.6 Ų56.627%0.2731%0.312SS..  trans-89.6157.5175.6550000111.8Q44 S47 S49 R154Q44-T52 HydrophobicContact CG-CG2 4.46Å; S47-T52 VanDerWaalsContact CB-OG1 3.24Å; S47-T52 WeakPolarHBondContact CB-OG1 3.35Å; S47-T52 PolarHBondContact OG-OG1 2.87Å; S47-T52 VanDerWaalsContact OG-OG1 3.06Å; S49-T52 PolarHBondContact O-OG1 2.89Å; S49-T52 VanDerWaalsContact O-OG1 3.07Å; T52-R154 WeakPolarHBondContact O-CA 3.48Å
53F97.9Very high95.4Very high34 Ų3454.8 Ų54.815%0.14930%0.304CS..  trans-155.4151.2178.650.5-90.1000112.6H40 Q44 Q55 H152 L153 R154H40-F53 AromaticContact CE1-CE2 3.72Å; H40-F53 AromaticContact CE1-CZ 3.75Å; H40-F53 AromaticContact ND1-CD2 3.78Å; H40-F53 AromaticContact ND1-CE2 3.41Å; H40-F53 WeakPolarHBondContact ND1-CE2 3.37Å; H40-F53 AromaticContact ND1-CZ 3.85Å; H40-F53 PolarHBondContact ND1-O 2.91Å; Q44-F53 VanDerWaalsContact CB-O 3.29Å; Q44-F53 WeakPolarHBondContact CB-O 3.25Å; F53-Q55 HydrophobicContact CD2-CB 4.12Å; F53-Q55 HydrophobicContact CE2-CB 4.11Å; F53-H152 HydrophobicContact CB-CB 4.45Å; F53-H152 HydrophobicContact CD2-CB 4.25Å; F53-H152 AromaticContact CD2-CD2 3.77Å; F53-H152 AromaticContact CD2-CE1 3.99Å; F53-H152 AromaticContact CD2-CG 3.7Å; F53-H152 AromaticContact CD2-ND1 3.84Å; F53-H152 AromaticContact CD2-NE2 3.97Å; F53-H152 AromaticContact CE2-CD2 3.85Å; F53-H152 AromaticContact CE2-CE1 3.47Å; F53-H152 VanDerWaalsContact CE2-CE1 3.47Å; F53-H152 WeakPolarHBondContact CE2-CE1 3.46Å; F53-H152 AromaticContact CE2-CG 3.99Å; F53-H152 AromaticContact CE2-ND1 3.75Å; F53-H152 AromaticContact CE2-NE2 3.53Å; F53-H152 HydrophobicContact CG-CB 4.45Å; F53-H152 AromaticContact CZ-CE1 3.83Å; F53-L153 WeakPolarHBondContact CA-O 3.4Å; F53-R154 HydrophobicContact CB-CB 4.49Å; F53-R154 HydrophobicContact CB-CG 3.88Å
54W98.3Very high95.5Very high0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-72.5135.7157.516351.7000109.3L33 S35 H40 L45 H62 V64 I141 T151 H152 L153L33-W54 HydrophobicContact CD1-CG 4.13Å; L33-W54 HydrophobicContact CD2-CD2 4.13Å; L33-W54 HydrophobicContact CD2-CG 4.47Å; L33-W54 HydrophobicContact CD2-CZ2 4.28Å; S35-W54 PolarHBondContact O-NE1 2.95Å; H40-W54 WeakPolarHBondContact O-CA 3.5Å; H40-W54 VanDerWaalsContact O-CD1 3.25Å; L45-W54 HydrophobicContact CB-CB 3.97Å; L45-W54 HydrophobicContact CD1-CB 4.33Å; L45-W54 HydrophobicContact CD2-CE3 4.47Å; W54-H62 HydrophobicContact CH2-CB 3.92Å; W54-H62 HydrophobicContact CZ2-CB 4.29Å; W54-V64 HydrophobicContact CE3-CG2 3.75Å; W54-V64 HydrophobicContact CH2-CG2 3.61Å; W54-V64 HydrophobicContact CZ2-CG2 4.43Å; W54-V64 HydrophobicContact CZ3-CG2 3.21Å; W54-I141 HydrophobicContact CH2-CD1 4.38Å; W54-I141 HydrophobicContact CZ3-CD1 3.93Å; W54-T151 HydrophobicContact CE3-CG2 4.46Å; W54-T151 HydrophobicContact CH2-CG2 3.92Å; W54-T151 HydrophobicContact CZ2-CG2 4.42Å; W54-T151 HydrophobicContact CZ3-CG2 3.93Å; W54-H152 VanDerWaalsContact O-CA 3.27Å; W54-H152 WeakPolarHBondContact O-CA 3.48Å; W54-L153 HydrophobicContact CE3-CB 3.84Å; W54-L153 HydrophobicContact CE3-CD2 4.22Å; W54-L153 HydrophobicContact CZ3-CB 4.46Å; W54-L153 HydrophobicContact CZ3-CD2 4.41Å; W54-L153 PolarHBondContact N-O 3.23Å; W54-L153 PolarHBondContact O-N 2.88Å
55Q98.3Very high95.5Very high16 Ų1647.4 Ų47.48%0.07527%0.266CS..EExtended strand (participates in β ladder)trans-121.4122.5170.6177.9171.85.800109.2C36 K37 H40 F53 T151C36-Q55 CarbonylContact C-O 3.49Å; C36-Q55 WeakPolarHBondContact CA-O 3.34Å; K37-Q55 HydrophobicContact CB-CB 4.44Å; K37-Q55 HydrophobicContact CB-CG 4.45Å; K37-Q55 HydrophobicContact CD-CG 4.34Å; K37-Q55 HydrophobicContact CG-CG 4.14Å; K37-Q55 PolarHBondContact N-O 3.45Å; H40-Q55 HydrophobicContact CB-CB 3.77Å; H40-Q55 PolarHBondContact O-N 3.1Å; H40-Q55 VanDerWaalsContact O-N 3.1Å; F53-Q55 HydrophobicContact CD2-CB 4.12Å; F53-Q55 HydrophobicContact CE2-CB 4.11Å; Q55-T151 WeakPolarHBondContact CA-O 3.44Å
56S98.3Very high95.6Very high0 Ų047.4 Ų47.40%027%0.266CS..  trans-66.4157.1172.666.60000112H62 D150 T151S56-H62 VanDerWaalsContact CB-ND1 3.33Å; S56-H62 WeakPolarHBondContact CB-ND1 3.3Å; S56-H62 PolarHBondContact OG-CE1 3.43Å; S56-H62 PolarHBondContact OG-ND1 3.01Å; S56-H62 PolarHBondContact OG-NE2 3.05Å; S56-D150 WeakPolarHBondContact OG-CA 3.32Å; S56-D150 VanDerWaalsContact OG-CB 3.3Å; S56-D150 WeakPolarHBondContact OG-CB 3.2Å; S56-D150 PolarHBondContact OG-OD1 3.34Å; S56-D150 VanDerWaalsContact OG-OD1 3.12Å; S56-T151 PolarHBondContact N-O 3.14Å; S56-T151 VanDerWaalsContact N-O 3.12Å; S56-T151 PolarHBondContact OG-N 3.35Å
57D97Very high95.7Very high87 Ų8749.2 Ų49.247%0.46527%0.273SS..  trans-150.661.6177-165.225.8000109.8S35 K37S35-D57 WeakPolarHBondContact CB-O 3.35Å; S35-D57 PolarHBondContact OG-N 3.27Å; K37-D57 HydrophobicContact CG-CB 3.74Å
58G95.2Very high96Very high17 Ų1747.7 Ų47.718%0.17526%0.262CS..SBendtrans-168.6-177.3-168.100000114.1S35 H62S35-G58 PolarHBondContact OG-N 2.88Å; G58-H62 PolarHBondContact O-CE1 3.4Å; G58-H62 VanDerWaalsContact O-CE1 3.28Å
59P96.1Very high96.4Very high113 Ų11344.2 Ų44.273%0.73426%0.255SS*.SBendtrans-74.8148.2174.431.2-33.6000111.4
60Q95.5Very high96.6Very high92 Ų9252.1 Ų52.143%0.4328%0.279SS..SBendtrans-69.9150.9169.9-71.81749.100111.1S142 G148 R149Q60-S142 PolarHBondContact OE1-O 2.81Å; Q60-S142 VanDerWaalsContact OE1-O 3.09Å; Q60-G148 PolarHBondContact NE2-O 2.62Å; Q60-R149 PolarHBondContact NE2-O 3.42Å; Q60-R149 VanDerWaalsContact NE2-O 3.15Å
61P97.6Very high96.9Very high55 Ų5555 Ų5536%0.35729%0.287SS..SBendcis-75.2141.9-1.430.8-34.7000113C63 A140 I141P61-C63 PolarHBondContact O-N 3.26Å; P61-A140 HydrophobicContact CB-CB 4.3Å; P61-I141 CarbonylContact C-O 3.55Å; P61-I141 WeakPolarHBondContact CA-O 3.22Å; P61-I141 WeakPolarHBondContact CB-O 3.06Å
62H98.3Very high97Very high0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-79.7111.5174.3-55-57.8000109W54 S56 G58 I141 R149 D150 T151W54-H62 HydrophobicContact CH2-CB 3.92Å; W54-H62 HydrophobicContact CZ2-CB 4.29Å; S56-H62 VanDerWaalsContact CB-ND1 3.33Å; S56-H62 WeakPolarHBondContact CB-ND1 3.3Å; S56-H62 PolarHBondContact OG-CE1 3.43Å; S56-H62 PolarHBondContact OG-ND1 3.01Å; S56-H62 PolarHBondContact OG-NE2 3.05Å; G58-H62 PolarHBondContact O-CE1 3.4Å; G58-H62 VanDerWaalsContact O-CE1 3.28Å; H62-I141 HydrophobicContact CB-CB 4.27Å; H62-I141 PolarHBondContact N-O 2.7Å; H62-I141 PolarHBondContact O-N 3.04Å; H62-R149 PolarHBondContact NE2-O 2.58Å; H62-D150 IonicContact CE1-OD1 3.97Å; H62-T151 HydrophobicContact CB-CG2 3.91Å
63C98.2Very high97.1Very high14 Ų1449.1 Ų49.110%0.09525%0.253CS..EExtended strand (participates in β ladder)trans-102.8138.2-174.5-62.40000113.2S34 P61 Q138 I139S34-C63 PolarHBondContact N-O 2.96Å; S34-C63 PolarHBondContact OG-N 2.87Å; S34-C63 PolarHBondContact OG-O 3.46Å; P61-C63 PolarHBondContact O-N 3.26Å; C63-Q138 HydrophobicContact CB-CG 4.24Å; C63-I139 CarbonylContact C-O 3.51Å; C63-I139 WeakPolarHBondContact CA-O 3.27Å
64V98.5Very high97Very high0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-110.7121160.8-175.50000107.6W31 L33 L45 W54 I66 Q138 I139W31-V64 HydrophobicContact CE3-CG1 3.76Å; W31-V64 HydrophobicContact CZ3-CG1 3.78Å; L33-V64 HydrophobicContact CD2-CB 4.26Å; L33-V64 HydrophobicContact CD2-CG1 4.03Å; L33-V64 HydrophobicContact CD2-CG2 3.84Å; L45-V64 HydrophobicContact CD2-CG1 3.93Å; L45-V64 HydrophobicContact CD2-CG2 4.15Å; W54-V64 HydrophobicContact CE3-CG2 3.75Å; W54-V64 HydrophobicContact CH2-CG2 3.61Å; W54-V64 HydrophobicContact CZ2-CG2 4.43Å; W54-V64 HydrophobicContact CZ3-CG2 3.21Å; V64-I66 HydrophobicContact CG1-CG1 4.29Å; V64-Q138 CarbonylContact O-C 3.56Å; V64-Q138 WeakPolarHBondContact O-CA 3.31Å; V64-I139 HydrophobicContact CB-CB 4.25Å; V64-I139 HydrophobicContact CB-CD1 4.32Å; V64-I139 PolarHBondContact N-O 3.21Å; V64-I139 PolarHBondContact O-N 2.78Å
65N98.3Very high96.8Very high22 Ų2249.3 Ų49.312%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-108132.5178.6-59.3-52.6000109.8W31 S32 L136 Q138W31-N65 WeakPolarHBondContact CA-O 3.2Å; S32-N65 PolarHBondContact N-O 3.03Å; S32-N65 PolarHBondContact O-N 3.15Å; S32-N65 WeakPolarHBondContact OG-CB 3.4Å; S32-N65 PolarHBondContact OG-ND2 3.17Å; N65-L136 HydrophobicContact CB-CD1 4.16Å; N65-Q138 WeakPolarHBondContact OD1-CG 3.48Å; N65-Q138 PolarHBondContact OD1-NE2 3.27Å
66I98.5Very high96.6Very high0 Ų049.3 Ų49.30%026%0.258CS..EExtended strand (participates in β ladder)trans-126.2100.4-176.1-48.6174.1000107.4A29 W31 V64 F68 L136 L137 I139 I156 L158A29-I66 HydrophobicContact CB-CG2 3.39Å; W31-I66 HydrophobicContact CD2-CG1 4.17Å; W31-I66 HydrophobicContact CD2-CG2 4.4Å; W31-I66 HydrophobicContact CE3-CD1 4.12Å; W31-I66 HydrophobicContact CE3-CG1 3.66Å; W31-I66 HydrophobicContact CH2-CD1 3.35Å; W31-I66 HydrophobicContact CH2-CG1 3.78Å; W31-I66 HydrophobicContact CH2-CG2 4.31Å; W31-I66 HydrophobicContact CZ2-CD1 4.1Å; W31-I66 HydrophobicContact CZ2-CG1 4.26Å; W31-I66 HydrophobicContact CZ2-CG2 3.98Å; W31-I66 HydrophobicContact CZ3-CD1 3.36Å; W31-I66 HydrophobicContact CZ3-CG1 3.45Å; W31-I66 VanDerWaalsContact CZ3-CG1 3.45Å; V64-I66 HydrophobicContact CG1-CG1 4.29Å; I66-F68 HydrophobicContact CG2-CE2 3.98Å; I66-F68 HydrophobicContact CG2-CZ 4.01Å; I66-L136 WeakPolarHBondContact O-CA 3.06Å; I66-L137 HydrophobicContact CB-CB 4.29Å; I66-L137 HydrophobicContact CD1-CD2 4.13Å; I66-L137 PolarHBondContact N-O 2.77Å; I66-L137 PolarHBondContact O-N 3.36Å; I66-I139 HydrophobicContact CD1-CD1 4.38Å; I66-I156 HydrophobicContact CD1-CD1 4.22Å; I66-L158 HydrophobicContact CD1-CD2 4.05Å; I66-L158 HydrophobicContact CG2-CD2 3.87Å
67Q98.2Very high96.5Very high98 Ų9849.3 Ų49.346%0.45826%0.258SS..EExtended strand (participates in β ladder)trans-106.7123.1-173.4-172.4173.8-6.800111.1A29 V30 F135 L136A29-Q67 CarbonylContact C-O 3.6Å; A29-Q67 WeakPolarHBondContact CA-O 3.37Å; V30-Q67 PolarHBondContact N-O 3.06Å; V30-Q67 PolarHBondContact O-N 3.42Å; Q67-F135 CarbonylContact C-O 3.59Å; Q67-F135 WeakPolarHBondContact CA-O 3.27Å; Q67-L136 HydrophobicContact CB-CD1 4.08Å
68F97.7Very high96.5Very high5 Ų545.1 Ų45.12%0.02224%0.236CC..EExtended strand (participates in β ladder)trans-96.6140.1176.8-62.3-85.3000110.8V25 H28 A29 I66 R70 M72 L74 F135 L158V25-F68 HydrophobicContact CB-CE1 4.41Å; V25-F68 HydrophobicContact CG2-CE1 4.14Å; V25-F68 HydrophobicContact CG2-CZ 4.14Å; H28-F68 HydrophobicContact CB-CD1 4.39Å; H28-F68 HydrophobicContact CB-CE1 4.35Å; A29-F68 HydrophobicContact CB-CD1 3.85Å; A29-F68 HydrophobicContact CB-CE1 3.67Å; A29-F68 HydrophobicContact CB-CG 4.36Å; A29-F68 HydrophobicContact CB-CZ 4.03Å; I66-F68 HydrophobicContact CG2-CE2 3.98Å; I66-F68 HydrophobicContact CG2-CZ 4.01Å; F68-R70 WeakPolarHBondContact CB-O 3.47Å; F68-R70 PolarHBondContact O-N 2.82Å; F68-M72 HydrophobicContact CB-CB 4.18Å; F68-M72 HydrophobicContact CD1-CB 3.83Å; F68-M72 HydrophobicContact CD1-CG 3.99Å; F68-M72 HydrophobicContact CD2-CB 3.85Å; F68-M72 HydrophobicContact CE1-CB 4.11Å; F68-M72 HydrophobicContact CE1-CG 3.89Å; F68-M72 HydrophobicContact CE2-CB 4.14Å; F68-M72 HydrophobicContact CG-CB 3.67Å; F68-M72 HydrophobicContact CG-CG 4.34Å; F68-M72 HydrophobicContact CZ-CB 4.25Å; F68-M72 HydrophobicContact CZ-CG 4.17Å; F68-L74 HydrophobicContact CE2-CD1 4.21Å; F68-L74 HydrophobicContact CE2-CD2 4.07Å; F68-L74 HydrophobicContact CZ-CD2 3.86Å; F68-F135 PolarHBondContact N-O 3.24Å; F68-L158 HydrophobicContact CE2-CD2 4.05Å; F68-L158 HydrophobicContact CZ-CD2 3.59Å
69P95.8Very high96.5Very high110 Ų11044.4 Ų44.471%0.71423%0.228SC*.EExtended strand (participates in β ladder)trans-68.8-17.7175.328.4-34.9000112.8H28H28-P69 WeakPolarHBondContact O-CD 3.41Å
70R94.6Very high96.5Very high208 Ų20841 Ų4179%0.78520%0.201SC*.EExtended strand (participates in β ladder)trans-135.7151.7176.6-58.4-176.7-174.4-174.21.9108.4F68 M72F68-R70 WeakPolarHBondContact CB-O 3.47Å; F68-R70 PolarHBondContact O-N 2.82Å; R70-M72 PolarHBondContact O-N 2.8Å; R70-M72 VanDerWaalsContact O-N 3.1Å
71K94.1Very high96.5Very high113 Ų11336.7 Ų36.749%0.49118%0.18SC..EExtended strand (participates in β ladder)trans-60.3117.4-179.8-156.2166.8-168.6160.50109.8R133 F135K71-R133 HydrophobicContact CD-CB 4.42Å; K71-R133 WeakPolarHBondContact CE-O 3.46Å; K71-R133 HydrophobicContact CG-CB 4.28Å; K71-F135 HydrophobicContact CB-CD1 4.39Å; K71-F135 HydrophobicContact CB-CD2 4.13Å; K71-F135 HydrophobicContact CB-CE1 4.09Å; K71-F135 HydrophobicContact CB-CE2 3.8Å; K71-F135 HydrophobicContact CB-CG 4.42Å; K71-F135 HydrophobicContact CB-CZ 3.78Å; K71-F135 HydrophobicContact CD-CD2 4.19Å; K71-F135 HydrophobicContact CD-CE2 3.9Å; K71-F135 HydrophobicContact CG-CD2 4.01Å; K71-F135 HydrophobicContact CG-CE2 3.98Å; K71-F135 HydrophobicContact CG-CZ 4.47Å
72M95.8Very high96.4Very high26 Ų2635.5 Ų35.513%0.12817%0.171CC..EExtended strand (participates in β ladder)trans-103.4140.7-173.5-164.257.9172.900110.9V25 F68 R70 L74 R133 T134V25-M72 HydrophobicContact CB-CE 3.91Å; V25-M72 HydrophobicContact CG1-CE 3.33Å; V25-M72 HydrophobicContact CG2-CE 4.38Å; F68-M72 HydrophobicContact CB-CB 4.18Å; F68-M72 HydrophobicContact CD1-CB 3.83Å; F68-M72 HydrophobicContact CD1-CG 3.99Å; F68-M72 HydrophobicContact CD2-CB 3.85Å; F68-M72 HydrophobicContact CE1-CB 4.11Å; F68-M72 HydrophobicContact CE1-CG 3.89Å; F68-M72 HydrophobicContact CE2-CB 4.14Å; F68-M72 HydrophobicContact CG-CB 3.67Å; F68-M72 HydrophobicContact CG-CG 4.34Å; F68-M72 HydrophobicContact CZ-CB 4.25Å; F68-M72 HydrophobicContact CZ-CG 4.17Å; R70-M72 PolarHBondContact O-N 2.8Å; R70-M72 VanDerWaalsContact O-N 3.1Å; M72-L74 HydrophobicContact CB-CD2 4.38Å; M72-L74 HydrophobicContact CG-CD2 3.94Å; M72-R133 VanDerWaalsContact O-CA 3.3Å; M72-R133 WeakPolarHBondContact O-CA 3.42Å; M72-T134 PolarHBondContact N-O 3.14Å; M72-T134 PolarHBondContact O-N 2.87Å
73I96.1Very high96.2Very high21 Ų2137.5 Ų37.511%0.10818%0.179CC..EExtended strand (participates in β ladder)trans-86.1127.1170.3-44.7-172.6000107.8P131 L132 R133 S160 P161 E163I73-P131 HydrophobicContact CG2-CB 4.25Å; I73-L132 WeakPolarHBondContact CA-O 3.42Å; I73-R133 HydrophobicContact CB-CG 4.46Å; I73-R133 VanDerWaalsContact CD1-NE 3.27Å; I73-R133 HydrophobicContact CG1-CG 3.92Å; I73-R133 HydrophobicContact CG2-CG 4.41Å; I73-S160 WeakPolarHBondContact O-CB 3.22Å; I73-S160 PolarHBondContact O-OG 3.45Å; I73-S160 VanDerWaalsContact O-OG 3.12Å; I73-P161 HydrophobicContact CB-CG 4.38Å; I73-P161 HydrophobicContact CG2-CG 3.8Å; I73-E163 HydrophobicContact CD1-CG 4.48Å; I73-E163 WeakPolarHBondContact CD1-OE1 3.44Å
74L96.6Very high96.1Very high2 Ų244.8 Ų44.81%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-117.3143.4-179.4-56.7176.8000109.4V25 F68 M72 L124 L132 T134 L137 L158V25-L74 HydrophobicContact CG2-CD2 4.02Å; F68-L74 HydrophobicContact CE2-CD1 4.21Å; F68-L74 HydrophobicContact CE2-CD2 4.07Å; F68-L74 HydrophobicContact CZ-CD2 3.86Å; M72-L74 HydrophobicContact CB-CD2 4.38Å; M72-L74 HydrophobicContact CG-CD2 3.94Å; L74-L124 HydrophobicContact CB-CB 4.44Å; L74-L124 HydrophobicContact CB-CD1 3.74Å; L74-L124 HydrophobicContact CD1-CD1 4.25Å; L74-L132 HydrophobicContact CB-CD2 4.24Å; L74-L132 HydrophobicContact CD1-CD2 4.23Å; L74-L132 PolarHBondContact N-O 2.94Å; L74-T134 HydrophobicContact CD1-CG2 3.72Å; L74-L137 HydrophobicContact CD1-CB 4.22Å; L74-L137 HydrophobicContact CD1-CD1 4.27Å; L74-L137 HydrophobicContact CD1-CD2 4.12Å; L74-L137 HydrophobicContact CD1-CG 4.45Å; L74-L158 HydrophobicContact CD1-CD1 4.27Å; L74-L158 HydrophobicContact CD1-CD2 4.27Å; L74-L158 HydrophobicContact CD2-CD1 4.09Å; L74-L158 HydrophobicContact CD2-CD2 3.92Å; L74-L158 HydrophobicContact CD2-CG 3.87Å
75S94.1Very high96Very high37 Ų3749.1 Ų49.126%0.25924%0.235SC..  trans-112.7-48.4-178.9166.50000111.8L124 H159S75-L124 PolarHBondContact O-N 2.86Å; S75-H159 PolarHBondContact N-O 2.77Å
76K94.8Very high95.9Very high15 Ų1548.4 Ų48.47%0.06523%0.231CC..EExtended strand (participates in β ladder)trans-150.9145.7-179.959.1-176.9-175.1179.50111.9D16 V121 I122 H159D16-K76 IonicContact OD2-NZ 3.55Å; D16-K76 PolarHBondContact OD2-NZ 2.89Å; K76-V121 HydrophobicContact CB-CG1 4.14Å; K76-V121 HydrophobicContact CD-CG1 3.91Å; K76-I122 CarbonylContact C-O 3.59Å; K76-I122 VanDerWaalsContact CA-O 3.31Å; K76-I122 WeakPolarHBondContact CA-O 3.49Å; K76-H159 WeakPolarHBondContact CE-ND1 3.21Å; K76-H159 HydrophobicContact CG-CB 3.69Å; K76-H159 PolarHBondContact N-O 2.76Å; K76-H159 PolarHBondContact O-N 3.4Å
77L96.5Very high95.8Very high0 Ų053.9 Ų53.90%026%0.257CS..EExtended strand (participates in β ladder)trans-105.1128.5168.4171.267.9000108.1L79 I96 I122 L124 I139 I156 L158L77-L79 HydrophobicContact CD1-CD2 3.96Å; L77-L79 HydrophobicContact CD2-CD1 4.44Å; L77-L79 HydrophobicContact CD2-CD2 4.21Å; L77-L79 HydrophobicContact CD2-CG 4.38Å; L77-L79 HydrophobicContact CG-CD2 4.01Å; L77-L79 HydrophobicContact CG-CG 4.2Å; L77-I96 HydrophobicContact CD2-CD1 3.51Å; L77-I96 HydrophobicContact CD2-CG1 4.49Å; L77-I122 HydrophobicContact CB-CB 4.33Å; L77-I122 HydrophobicContact CD2-CD1 4.1Å; L77-I122 PolarHBondContact N-O 2.79Å; L77-I122 PolarHBondContact O-N 3.45Å; L77-L124 HydrophobicContact CB-CD1 3.99Å; L77-L124 HydrophobicContact CB-CD2 4.25Å; L77-L124 HydrophobicContact CB-CG 4.23Å; L77-I139 HydrophobicContact CD1-CD1 3.93Å; L77-I139 HydrophobicContact CD2-CD1 3.64Å; L77-I139 HydrophobicContact CD2-CG1 3.75Å; L77-I139 HydrophobicContact CG-CD1 4.4Å; L77-I156 HydrophobicContact CD1-CD1 3.61Å; L77-I156 HydrophobicContact CD1-CG1 3.69Å; L77-L158 HydrophobicContact CB-CD1 4.28Å; L77-L158 HydrophobicContact CD1-CD1 4.26Å
78C95.4Very high95.8Very high0 Ų050.7 Ų50.70%025%0.246CC..EExtended strand (participates in β ladder)trans-114.9126.8178.8-54.40000108.7V13 W119 S120 I156 R157V13-C78 HydrophobicContact CG1-CB 3.98Å; C78-W119 HydrophobicContact CB-CE3 3.86Å; C78-W119 HydrophobicContact CB-CZ3 4.12Å; C78-S120 WeakPolarHBondContact CA-O 3.27Å; C78-I156 CarbonylContact O-C 3.52Å; C78-I156 WeakPolarHBondContact O-CA 3.49Å; C78-R157 HydrophobicContact CB-CB 4.06Å; C78-R157 PolarHBondContact N-O 3.37Å; C78-R157 PolarHBondContact O-N 2.99Å
79L95.7Very high95.8Very high1 Ų154.7 Ų54.71%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-119.8127.5-179.4-59.6-178.4000109.2L77 L94 W119 S120 I122 I139 L153 I156L77-L79 HydrophobicContact CD1-CD2 3.96Å; L77-L79 HydrophobicContact CD2-CD1 4.44Å; L77-L79 HydrophobicContact CD2-CD2 4.21Å; L77-L79 HydrophobicContact CD2-CG 4.38Å; L77-L79 HydrophobicContact CG-CD2 4.01Å; L77-L79 HydrophobicContact CG-CG 4.2Å; L79-L94 HydrophobicContact CD1-CD2 3.65Å; L79-W119 WeakPolarHBondContact O-CA 3.49Å; L79-S120 PolarHBondContact N-O 3.17Å; L79-S120 PolarHBondContact O-N 2.87Å; L79-I122 HydrophobicContact CD1-CD1 3.77Å; L79-I122 HydrophobicContact CG-CD1 4.28Å; L79-I139 HydrophobicContact CD2-CD1 4.08Å; L79-L153 HydrophobicContact CB-CD1 4.09Å; L79-L153 HydrophobicContact CD2-CD1 4.33Å; L79-L153 HydrophobicContact CD2-CD2 4.09Å; L79-I156 HydrophobicContact CD2-CB 4.41Å; L79-I156 HydrophobicContact CD2-CD1 3.7Å; L79-I156 HydrophobicContact CD2-CG1 3.83Å
80Y95.4Very high95.9Very high43 Ų4349.4 Ų49.417%0.16923%0.227CC..EExtended strand (participates in β ladder)trans-97.5124.6172.2-163.3-77.3000110.3T50 W119 R154 A155T50-Y80 HydrophobicContact CG2-CD1 4.12Å; T50-Y80 HydrophobicContact CG2-CD2 4.05Å; T50-Y80 HydrophobicContact CG2-CE1 3.75Å; T50-Y80 HydrophobicContact CG2-CE2 3.65Å; T50-Y80 HydrophobicContact CG2-CG 4.25Å; T50-Y80 VanDerWaalsContact CG2-CZ 3.48Å; Y80-W119 AromaticContact CD2-CD1 3.84Å; Y80-W119 AromaticContact CD2-CD2 3.7Å; Y80-W119 HydrophobicContact CD2-CD2 3.7Å; Y80-W119 AromaticContact CD2-CE2 3.54Å; Y80-W119 HydrophobicContact CD2-CE3 4.3Å; Y80-W119 AromaticContact CD2-CG 3.9Å; Y80-W119 HydrophobicContact CD2-CG 3.9Å; Y80-W119 HydrophobicContact CD2-CZ2 4.01Å; Y80-W119 AromaticContact CD2-NE1 3.61Å; Y80-W119 HydrophobicContact CG-CD2 4.39Å; Y80-R154 HydrophobicContact CD1-CB 3.82Å; Y80-R154 PolarHBondContact O-N 3.04Å; Y80-R154 VanDerWaalsContact O-N 3.14Å; Y80-A155 PolarHBondContact N-O 2.86Å
81T95.7Very high96.1Very high1 Ų139.5 Ų39.51%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-137.3152177.952.60000109.7P91 P116 T117 G118 L153T81-P91 HydrophobicContact CG2-CG 3.88Å; T81-P116 VanDerWaalsContact OG1-CB 3.28Å; T81-P116 WeakPolarHBondContact OG1-CB 3.24Å; T81-P116 VanDerWaalsContact OG1-CG 3.26Å; T81-P116 WeakPolarHBondContact OG1-CG 3.5Å; T81-P116 PolarHBondContact OG1-O 2.95Å; T81-T117 CarbonylContact O-C 3.55Å; T81-T117 WeakPolarHBondContact O-CA 3.43Å; T81-G118 PolarHBondContact N-O 2.94Å; T81-G118 PolarHBondContact O-N 2.95Å; T81-L153 HydrophobicContact CG2-CD1 3.78Å
82D95.4Very high96.2Very high29 Ų2935.4 Ų35.416%0.15518%0.175CC..EExtended strand (participates in β ladder)trans-134.194.3172.9-167.5-16.4000111.6K84 V85 D86D82-K84 PolarHBondContact O-N 3.32Å; D82-K84 WeakPolarHBondContact OD1-CB 3.26Å; D82-K84 PolarHBondContact OD1-N 2.81Å; D82-V85 HydrophobicContact CB-CB 4.34Å; D82-V85 HydrophobicContact CB-CG2 4.43Å; D82-V85 PolarHBondContact O-N 2.89Å; D82-V85 VanDerWaalsContact O-N 3.15Å; D82-V85 WeakPolarHBondContact OD2-CG2 3.28Å; D82-D86 WeakPolarHBondContact O-CB 3.48Å; D82-D86 PolarHBondContact O-N 2.81Å
83Y95.6Very high96.2Very high43 Ų4339.1 Ų39.117%0.16919%0.188CC..Hα-helixtrans-54.7-33.5177.7178.4-111.1000114.4V85 E87 T90 E115 P116 H145Y83-V85 VanDerWaalsContact C-N 3.29Å; Y83-V85 PolarHBondContact O-N 2.88Å; Y83-E87 WeakPolarHBondContact O-CA 3.39Å; Y83-E87 PolarHBondContact O-N 3.47Å; Y83-T90 WeakPolarHBondContact CA-OG1 3.29Å; Y83-T90 HydrophobicContact CD2-CG2 4.29Å; Y83-E115 HydrophobicContact CD1-CB 3.48Å; Y83-E115 VanDerWaalsContact CD1-CB 3.48Å; Y83-E115 HydrophobicContact CD1-CG 3.65Å; Y83-E115 HydrophobicContact CD2-CB 4.49Å; Y83-E115 HydrophobicContact CD2-CG 4.41Å; Y83-E115 HydrophobicContact CE1-CB 3.8Å; Y83-E115 HydrophobicContact CE1-CG 3.4Å; Y83-E115 WeakPolarHBondContact CE1-OE1 3.33Å; Y83-E115 HydrophobicContact CE2-CG 4.22Å; Y83-E115 HydrophobicContact CG-CB 3.83Å; Y83-E115 HydrophobicContact CG-CG 4.12Å; Y83-E115 VanDerWaalsContact CZ-OE1 3.29Å; Y83-E115 PolarHBondContact OH-OE1 3.31Å; Y83-P116 PolarHBondContact N-O 2.81Å; Y83-H145 HydrophobicContact CD2-CB 4.19Å; Y83-H145 AromaticContact CD2-CG 3.97Å; Y83-H145 HydrophobicContact CE2-CB 3.71Å; Y83-H145 AromaticContact CE2-CD2 3.79Å; Y83-H145 AromaticContact CE2-CG 3.78Å
84K95.2Very high96.3Very high167 Ų16738.1 Ų38.173%0.72618%0.182SC*.Hα-helixtrans-71.3-29.7-176.6-64-177.8-179.5178.30112.2D82D82-K84 PolarHBondContact O-N 3.32Å; D82-K84 WeakPolarHBondContact OD1-CB 3.26Å; D82-K84 PolarHBondContact OD1-N 2.81Å
85V96.6Very high96.3Very high90 Ų9038.2 Ų38.255%0.54518%0.183SC..Hα-helixtrans-96.1-40.9-177.9-177.90000110.9D82 Y83 R154D82-V85 HydrophobicContact CB-CB 4.34Å; D82-V85 HydrophobicContact CB-CG2 4.43Å; D82-V85 PolarHBondContact O-N 2.89Å; D82-V85 VanDerWaalsContact O-N 3.15Å; D82-V85 WeakPolarHBondContact OD2-CG2 3.28Å; Y83-V85 VanDerWaalsContact C-N 3.29Å; Y83-V85 PolarHBondContact O-N 2.88Å; V85-R154 VanDerWaalsContact CG1-NH2 3.29Å
86D97.2Very high96.5Very high7 Ų736.4 Ų36.44%0.03717%0.171CC..Hα-helixtrans-91.8-15.7-173.5-66.1-41.5000113.1D82 S88 Y89 T90 H152 R154D82-D86 WeakPolarHBondContact O-CB 3.48Å; D82-D86 PolarHBondContact O-N 2.81Å; D86-S88 PolarHBondContact O-N 3.43Å; D86-S88 VanDerWaalsContact O-N 3.1Å; D86-Y89 WeakPolarHBondContact O-CA 3.42Å; D86-Y89 WeakPolarHBondContact O-CB 3.18Å; D86-Y89 WeakPolarHBondContact O-CD2 3.38Å; D86-Y89 PolarHBondContact O-N 3.48Å; D86-T90 WeakPolarHBondContact CB-OG1 3.37Å; D86-H152 HydrophobicContact CB-CB 4.24Å; D86-H152 IonicContact OD1-CG 3.63Å; D86-H152 IonicContact OD1-ND1 3.71Å; D86-H152 PolarHBondContact OD1-ND1 3.4Å; D86-R154 IonicContact OD1-CZ 3.81Å; D86-R154 IonicContact OD1-NE 2.94Å; D86-R154 IonicContact OD1-NH2 3.85Å; D86-R154 PolarHBondContact OD1-NH2 2.91Å; D86-R154 IonicContact OD2-CZ 2.72Å; D86-R154 IonicContact OD2-NE 2.67Å; D86-R154 PolarHBondContact OD2-NE 2.92Å; D86-R154 IonicContact OD2-NH2 3.92Å; D86-R154 PolarHBondContact OD2-NH2 2.87Å
87E96.3Very high96.7Very high115 Ų11539.1 Ų39.154%0.53718%0.181SC..G310 helixtrans46.9-115.1176.1-57.6-176.9145.300112.3Y83 Y89 T90Y83-E87 WeakPolarHBondContact O-CA 3.39Å; Y83-E87 PolarHBondContact O-N 3.47Å; E87-Y89 PolarHBondContact O-N 3.18Å; E87-T90 VanDerWaalsContact O-CB 3.3Å; E87-T90 WeakPolarHBondContact O-CB 3.4Å; E87-T90 PolarHBondContact O-N 3.37Å; E87-T90 VanDerWaalsContact O-N 3.1Å; E87-T90 PolarHBondContact O-OG1 3.42Å
88S97.5Very high96.8Very high32 Ų3239.3 Ų39.322%0.22418%0.182CC..G310 helixtrans-64.7-19.5178.669.20000114.5D86 T90 N144 H145 G148D86-S88 PolarHBondContact O-N 3.43Å; D86-S88 VanDerWaalsContact O-N 3.1Å; S88-T90 PolarHBondContact O-N 3.21Å; S88-N144 VanDerWaalsContact O-CB 3.29Å; S88-N144 WeakPolarHBondContact O-CB 3.13Å; S88-H145 WeakPolarHBondContact CA-O 3.3Å; S88-G148 WeakPolarHBondContact O-CA 3.22Å
89Y97.9Very high96.9Very high88 Ų8839.8 Ų39.835%0.34519%0.187SC..G310 helixtrans-78-5.2174.5-62.4-88.3000112.8D86 E87 D150 T151 H152D86-Y89 WeakPolarHBondContact O-CA 3.42Å; D86-Y89 WeakPolarHBondContact O-CB 3.18Å; D86-Y89 WeakPolarHBondContact O-CD2 3.38Å; D86-Y89 PolarHBondContact O-N 3.48Å; E87-Y89 PolarHBondContact O-N 3.18Å; Y89-D150 WeakPolarHBondContact CA-O 3.42Å; Y89-D150 HydrophobicContact CD1-CB 4.09Å; Y89-D150 VanDerWaalsContact CD1-O 3.25Å; Y89-D150 WeakPolarHBondContact CD1-O 3.28Å; Y89-D150 HydrophobicContact CE1-CB 4.06Å; Y89-T151 CarbonylContact O-C 3.55Å; Y89-T151 VanDerWaalsContact O-CA 3.25Å; Y89-T151 WeakPolarHBondContact O-CA 3.38Å; Y89-T151 PolarHBondContact O-OG1 3.02Å; Y89-H152 AromaticContact CD1-CD2 3.72Å; Y89-H152 AromaticContact CD1-NE2 3.48Å; Y89-H152 WeakPolarHBondContact CD1-NE2 3.34Å; Y89-H152 AromaticContact CE1-NE2 3.97Å; Y89-H152 AromaticContact CG-CD2 3.86Å; Y89-H152 AromaticContact CG-CE1 3.76Å; Y89-H152 AromaticContact CG-NE2 3.65Å; Y89-H152 PolarHBondContact O-N 3.41Å
90T97.8Very high96.9Very high0 Ų043.4 Ų43.40%021%0.206CC..SBendtrans-80.3126.1-178.3-57.30000111.4Y83 D86 E87 S88 S92 P116 N144 H145Y83-T90 WeakPolarHBondContact CA-OG1 3.29Å; Y83-T90 HydrophobicContact CD2-CG2 4.29Å; D86-T90 WeakPolarHBondContact CB-OG1 3.37Å; E87-T90 VanDerWaalsContact O-CB 3.3Å; E87-T90 WeakPolarHBondContact O-CB 3.4Å; E87-T90 PolarHBondContact O-N 3.37Å; E87-T90 VanDerWaalsContact O-N 3.1Å; E87-T90 PolarHBondContact O-OG1 3.42Å; S88-T90 PolarHBondContact O-N 3.21Å; T90-S92 PolarHBondContact O-N 2.87Å; T90-P116 HydrophobicContact CG2-CG 3.63Å; T90-N144 CarbonylContact O-C 3.59Å; T90-N144 WeakPolarHBondContact O-CA 3.3Å; T90-N144 WeakPolarHBondContact O-CB 3.34Å; T90-H145 PolarHBondContact O-N 2.92Å; T90-H145 PolarHBondContact O-ND1 3.12Å
91P97.7Very high96.9Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-61.4136.8178.126.2-34.1000111.2T81 L113 I141 H145T81-P91 HydrophobicContact CG2-CG 3.88Å; P91-L113 HydrophobicContact CB-CD1 4.44Å; P91-L113 HydrophobicContact CG-CD1 4.14Å; P91-I141 HydrophobicContact CB-CD1 4.28Å; P91-I141 HydrophobicContact CB-CG1 4.36Å; P91-I141 HydrophobicContact CB-CG2 3.74Å; P91-H145 PolarHBondContact O-CE1 2.88Å; P91-H145 VanDerWaalsContact O-CE1 3.27Å; P91-H145 PolarHBondContact O-ND1 2.9Å
92S96.6Very high96.8Very high27 Ų2749.1 Ų49.119%0.18924%0.241CC..EExtended strand (participates in β ladder)trans-109.8-29.8177.1620000112.2T90 E112 L113 A143 N144T90-S92 PolarHBondContact O-N 2.87Å; S92-E112 WeakPolarHBondContact O-CA 3.35Å; S92-L113 PolarHBondContact O-N 3.15Å; S92-A143 PolarHBondContact N-O 3.45Å; S92-A143 VanDerWaalsContact OG-C 3.24Å; S92-A143 PolarHBondContact OG-O 2.78Å; S92-A143 VanDerWaalsContact OG-O 3.1Å; S92-N144 WeakPolarHBondContact OG-CA 3.33Å; S92-N144 PolarHBondContact OG-N 3.15Å; S92-N144 PolarHBondContact OG-O 2.84Å
93R96.9Very high96.8Very high103 Ų10355.8 Ų55.839%0.38927%0.271SS..EExtended strand (participates in β ladder)trans-142.5129.7179.9-169.2176.8171.3-179.8-1.8110.8E110 V111 S142 A143R93-E110 HydrophobicContact CG-CG 4.5Å; R93-E110 IonicContact CZ-OE1 3.06Å; R93-E110 IonicContact CZ-OE2 3.87Å; R93-E110 IonicContact NE-OE1 2.62Å; R93-E110 PolarHBondContact NE-OE1 3.34Å; R93-E110 IonicContact NE-OE2 2.92Å; R93-E110 VanDerWaalsContact NH2-CD 3.31Å; R93-E110 IonicContact NH2-OE1 2.66Å; R93-E110 PolarHBondContact NH2-OE1 3.22Å; R93-E110 IonicContact NH2-OE2 3.22Å; R93-E110 PolarHBondContact NH2-OE2 2.68Å; R93-V111 WeakPolarHBondContact CA-O 3.47Å; R93-S142 PolarHBondContact O-N 2.81Å; R93-S142 PolarHBondContact O-OG 2.77Å; R93-A143 HydrophobicContact CB-CB 4.06Å; R93-A143 PolarHBondContact N-O 3.44Å; R93-A143 VanDerWaalsContact N-O 3.07Å; R93-A143 PolarHBondContact O-N 2.96Å
94L97.5Very high96.9Very high0 Ų056.5 Ų56.50%028%0.278CS..EExtended strand (participates in β ladder)trans-142152.9175.86385.2000111.2L79 I96 V111 L113 I122 I139 A140 I141L79-L94 HydrophobicContact CD1-CD2 3.65Å; L94-I96 HydrophobicContact CD1-CD1 3.56Å; L94-I96 HydrophobicContact CD1-CG1 4.11Å; L94-V111 HydrophobicContact CD1-CB 3.71Å; L94-V111 HydrophobicContact CD1-CG2 3.78Å; L94-V111 HydrophobicContact CG-CB 4.05Å; L94-V111 PolarHBondContact N-O 2.71Å; L94-V111 PolarHBondContact O-N 3.14Å; L94-L113 HydrophobicContact CD2-CD1 4.04Å; L94-I122 HydrophobicContact CD1-CD1 4.27Å; L94-I139 HydrophobicContact CD1-CG2 4.29Å; L94-I139 HydrophobicContact CD2-CG2 4.34Å; L94-A140 CarbonylContact C-O 3.48Å; L94-A140 VanDerWaalsContact CA-O 3.27Å; L94-A140 WeakPolarHBondContact CA-O 3.37Å; L94-I141 HydrophobicContact CB-CG1 4.02Å; L94-I141 HydrophobicContact CD2-CG1 4.49Å
95A97.6Very high97.1Very high4 Ų450.5 Ų50.53%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-111.9138.6172.500000109.8E107 A140A95-E107 HydrophobicContact CB-CG 4.18Å; A95-A140 PolarHBondContact N-O 3.27Å; A95-A140 PolarHBondContact O-N 3.21Å
96I97.9Very high97.1Very high0 Ų050.7 Ų50.70%025%0.25CS..EExtended strand (participates in β ladder)trans-98.2121.3169.9-53.5-56.1000107.7L77 L94 L108 L109 V111 I122 L124 L137 I139L77-I96 HydrophobicContact CD2-CD1 3.51Å; L77-I96 HydrophobicContact CD2-CG1 4.49Å; L94-I96 HydrophobicContact CD1-CD1 3.56Å; L94-I96 HydrophobicContact CD1-CG1 4.11Å; I96-L108 HydrophobicContact CG2-CD2 4.41Å; I96-L108 WeakPolarHBondContact O-CB 3.36Å; I96-L108 PolarHBondContact O-N 2.79Å; I96-L109 HydrophobicContact CB-CD1 4.13Å; I96-L109 HydrophobicContact CB-CG 4.08Å; I96-L109 HydrophobicContact CG1-CD1 3.71Å; I96-L109 HydrophobicContact CG1-CG 4.21Å; I96-L109 PolarHBondContact N-O 3.44Å; I96-L109 PolarHBondContact O-N 3.07Å; I96-V111 HydrophobicContact CG1-CG2 4.48Å; I96-I122 HydrophobicContact CD1-CD1 4.45Å; I96-I122 HydrophobicContact CG1-CG2 4.38Å; I96-L124 HydrophobicContact CG2-CD2 3.98Å; I96-L137 HydrophobicContact CG2-CD1 3.54Å; I96-L137 HydrophobicContact CG2-CG 4.35Å; I96-I139 HydrophobicContact CD1-CB 4.4Å; I96-I139 HydrophobicContact CD1-CG1 4Å; I96-I139 HydrophobicContact CD1-CG2 4.18Å
97R98.2Very high97.1Very high72 Ų7254.3 Ų54.327%0.27227%0.267SS..EExtended strand (participates in β ladder)trans-119.3146.5-178.8-63.6166.7179.5170-1110.4L105 I106 E107 L137 Q138R97-L105 HydrophobicContact CB-CB 4.32Å; R97-L105 HydrophobicContact CB-CD2 4.13Å; R97-I106 CarbonylContact C-O 3.55Å; R97-I106 WeakPolarHBondContact CA-O 3.38Å; R97-E107 HydrophobicContact CG-CB 4.31Å; R97-L137 CarbonylContact O-C 3.55Å; R97-L137 WeakPolarHBondContact O-CA 3.35Å; R97-Q138 HydrophobicContact CB-CB 4.2Å; R97-Q138 VanDerWaalsContact CD-OE1 3.28Å; R97-Q138 PolarHBondContact N-O 3.3Å; R97-Q138 VanDerWaalsContact NH1-OE1 3.12Å; R97-Q138 PolarHBondContact O-N 3.23Å
98V98.3Very high97.1Very high3 Ų349.2 Ų49.22%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-135.1147.7-177-64.10000110.4L105 I106 L108 W126 L132 T134 L136 L137V98-L105 WeakPolarHBondContact O-CA 3.37Å; V98-I106 HydrophobicContact CG2-CG1 3.97Å; V98-I106 PolarHBondContact N-O 3.06Å; V98-I106 WeakPolarHBondContact O-CG1 3.49Å; V98-I106 PolarHBondContact O-N 3.12Å; V98-L108 HydrophobicContact CG1-CB 4.47Å; V98-L108 HydrophobicContact CG1-CD2 4.27Å; V98-L108 HydrophobicContact CG2-CB 4.29Å; V98-W126 HydrophobicContact CG2-CH2 3.63Å; V98-W126 HydrophobicContact CG2-CZ2 4.1Å; V98-W126 HydrophobicContact CG2-CZ3 4.47Å; V98-L132 HydrophobicContact CB-CD1 4.25Å; V98-L132 HydrophobicContact CG1-CD1 3.85Å; V98-L132 HydrophobicContact CG1-CD2 3.8Å; V98-L132 HydrophobicContact CG1-CG 4.4Å; V98-L132 HydrophobicContact CG2-CD1 4.14Å; V98-T134 HydrophobicContact CG1-CG2 4.38Å; V98-L136 VanDerWaalsContact CA-O 3.32Å; V98-L136 WeakPolarHBondContact CA-O 3.26Å; V98-L137 HydrophobicContact CG1-CD1 3.55Å
99G97.8Very high96.9Very high11 Ų1148 Ų4811%0.11323%0.234CC..EExtended strand (participates in β ladder)trans-174-177.4-178.400000112.6T134 F135 L136G99-T134 PolarHBondContact N-OG1 3.38Å; G99-T134 PolarHBondContact O-OG1 3.36Å; G99-F135 PolarHBondContact O-N 3.48Å; G99-L136 PolarHBondContact N-O 2.92Å; G99-L136 VanDerWaalsContact N-O 3.15Å; G99-L136 PolarHBondContact O-N 2.85Å
100N96.3Very high96.9Very high76 Ų7644.4 Ų44.441%0.40622%0.221SC..SBendtrans-87.9-30.8170.8-53.1-67.6000111.6D104 F135N100-D104 VanDerWaalsContact CB-OD2 3.25Å; N100-D104 WeakPolarHBondContact CB-OD2 3.35Å; N100-D104 PolarHBondContact N-OD1 2.79Å; N100-D104 PolarHBondContact N-OD2 3.11Å; N100-D104 PolarHBondContact ND2-OD2 3.39Å; N100-F135 HydrophobicContact CB-CD2 4.32Å; N100-F135 WeakPolarHBondContact OD1-CD2 3.25Å
101T94.9Very high96.8Very high65 Ų6544.5 Ų44.540%0.39922%0.221SC..SBendtrans-142.8176.5-177.472.10000109.7H103 D104 L136T101-H103 PolarHBondContact O-N 2.85Å; T101-H103 PolarHBondContact OG1-N 2.91Å; T101-D104 VanDerWaalsContact C-OD1 3.29Å; T101-D104 VanDerWaalsContact CA-OD1 3.28Å; T101-D104 WeakPolarHBondContact CA-OD1 3.46Å; T101-D104 WeakPolarHBondContact CB-OD1 3.28Å; T101-D104 PolarHBondContact N-OD1 3.14Å; T101-D104 PolarHBondContact OG1-OD1 2.85Å; T101-L136 WeakPolarHBondContact O-CD2 3.33Å
102I94.5Very high96.7Very high99 Ų9947.5 Ų47.551%0.50824%0.236SC..THydrogen-bonded Turntrans-67.3-18.6175.158.8169.1000113.6L136I102-L136 HydrophobicContact CB-CD2 4.45Å; I102-L136 HydrophobicContact CG2-CD2 3.8Å
103H95.5Very high96.6Very high169 Ų16946.6 Ų46.678%0.78223%0.228SC*.THydrogen-bonded Turntrans-90.8-19.6-173.3-60.2-60.6000113.7T101T101-H103 PolarHBondContact O-N 2.85Å; T101-H103 PolarHBondContact OG1-N 2.91Å
104D97.2Very high96.4Very high59 Ų5947.8 Ų47.832%0.31624%0.239SC..SBendtrans-114.326-179.168.1-38.8000111.9N100 T101 I106N100-D104 VanDerWaalsContact CB-OD2 3.25Å; N100-D104 WeakPolarHBondContact CB-OD2 3.35Å; N100-D104 PolarHBondContact N-OD1 2.79Å; N100-D104 PolarHBondContact N-OD2 3.11Å; N100-D104 PolarHBondContact ND2-OD2 3.39Å; T101-D104 VanDerWaalsContact C-OD1 3.29Å; T101-D104 VanDerWaalsContact CA-OD1 3.28Å; T101-D104 WeakPolarHBondContact CA-OD1 3.46Å; T101-D104 WeakPolarHBondContact CB-OD1 3.28Å; T101-D104 PolarHBondContact N-OD1 3.14Å; T101-D104 PolarHBondContact OG1-OD1 2.85Å; D104-I106 PolarHBondContact O-N 3.07Å
105L98Very high96.2Very high40 Ų4053.4 Ų53.421%0.20927%0.265CS..  trans-64.2129.1174.8-75.3174.2000110.8R97 V98 L136 Q138R97-L105 HydrophobicContact CB-CB 4.32Å; R97-L105 HydrophobicContact CB-CD2 4.13Å; V98-L105 WeakPolarHBondContact O-CA 3.37Å; L105-L136 HydrophobicContact CD1-CD2 4.36Å; L105-L136 HydrophobicContact CD2-CD2 3.68Å; L105-L136 HydrophobicContact CD2-CG 4.03Å; L105-L136 HydrophobicContact CG-CD2 4.16Å; L105-Q138 HydrophobicContact CD1-CB 4.1Å; L105-Q138 VanDerWaalsContact CD1-CD 3.49Å; L105-Q138 HydrophobicContact CD1-CG 4.41Å; L105-Q138 HydrophobicContact CD2-CB 4.23Å
106I97Very high96.1Very high94 Ų9453.6 Ų53.648%0.48227%0.265SS..EExtended strand (participates in β ladder)trans-116142169.357.3168.7000109.9R97 V98 D104 L108 W126R97-I106 CarbonylContact C-O 3.55Å; R97-I106 WeakPolarHBondContact CA-O 3.38Å; V98-I106 HydrophobicContact CG2-CG1 3.97Å; V98-I106 PolarHBondContact N-O 3.06Å; V98-I106 WeakPolarHBondContact O-CG1 3.49Å; V98-I106 PolarHBondContact O-N 3.12Å; D104-I106 PolarHBondContact O-N 3.07Å; I106-L108 PolarHBondContact O-N 2.91Å; I106-W126 HydrophobicContact CD1-CH2 3.55Å; I106-W126 HydrophobicContact CD1-CZ3 3.9Å; I106-W126 HydrophobicContact CG1-CH2 4.34Å
107E97.1Very high95.9Very high83 Ų8356 Ų5639%0.38828%0.28SS..EExtended strand (participates in β ladder)trans-74.1115.5177.1-171.1170.1101.700110.1P2 A95 R97P2-E107 VanDerWaalsContact CB-OE1 3.3Å; P2-E107 WeakPolarHBondContact CB-OE1 3.37Å; P2-E107 WeakPolarHBondContact CG-OE1 3.46Å; A95-E107 HydrophobicContact CB-CG 4.18Å; R97-E107 HydrophobicContact CG-CB 4.31Å
108L96Very high95.7Very high8 Ų853 Ų534%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-78.9-50.8178.317865.2000110.4I96 V98 I106 L124 W126 L132I96-L108 HydrophobicContact CG2-CD2 4.41Å; I96-L108 WeakPolarHBondContact O-CB 3.36Å; I96-L108 PolarHBondContact O-N 2.79Å; V98-L108 HydrophobicContact CG1-CB 4.47Å; V98-L108 HydrophobicContact CG1-CD2 4.27Å; V98-L108 HydrophobicContact CG2-CB 4.29Å; I106-L108 PolarHBondContact O-N 2.91Å; L108-L124 HydrophobicContact CD2-CD2 4.4Å; L108-W126 HydrophobicContact CD1-CD2 4.03Å; L108-W126 HydrophobicContact CD1-CE3 3.53Å; L108-W126 HydrophobicContact CD1-CH2 4.33Å; L108-W126 HydrophobicContact CD1-CZ3 3.7Å; L108-L132 HydrophobicContact CD2-CD1 4.31Å; L108-L132 HydrophobicContact CD2-CD2 3.85Å
109L95.4Very high95.5Very high6 Ų655.4 Ų55.43%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-158159.3-177.962.789.2000111.3L5 I96 V111 I122L5-L109 HydrophobicContact CD1-CD2 4.39Å; I96-L109 HydrophobicContact CB-CD1 4.13Å; I96-L109 HydrophobicContact CB-CG 4.08Å; I96-L109 HydrophobicContact CG1-CD1 3.71Å; I96-L109 HydrophobicContact CG1-CG 4.21Å; I96-L109 PolarHBondContact N-O 3.44Å; I96-L109 PolarHBondContact O-N 3.07Å; L109-V111 HydrophobicContact CD1-CG2 3.23Å; L109-I122 HydrophobicContact CD1-CG2 3.9Å; L109-I122 HydrophobicContact CD2-CG2 4.25Å
110E96.4Very high95.3Very high14 Ų1455 Ų557%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-112.9136.3173.9-179.6165.3-118.900109.6P2 F3 K4 L5 R93P2-E110 HydrophobicContact CB-CB 4.48Å; F3-E110 PolarHBondContact O-N 3.01Å; K4-E110 WeakPolarHBondContact CA-O 3.39Å; K4-E110 VanDerWaalsContact CE-OE2 3.31Å; K4-E110 WeakPolarHBondContact CE-OE2 3.47Å; L5-E110 PolarHBondContact N-O 2.96Å; R93-E110 HydrophobicContact CG-CG 4.5Å; R93-E110 IonicContact CZ-OE1 3.06Å; R93-E110 IonicContact CZ-OE2 3.87Å; R93-E110 IonicContact NE-OE1 2.62Å; R93-E110 PolarHBondContact NE-OE1 3.34Å; R93-E110 IonicContact NE-OE2 2.92Å; R93-E110 VanDerWaalsContact NH2-CD 3.31Å; R93-E110 IonicContact NH2-OE1 2.66Å; R93-E110 PolarHBondContact NH2-OE1 3.22Å; R93-E110 IonicContact NH2-OE2 3.22Å; R93-E110 PolarHBondContact NH2-OE2 2.68Å
111V95.6Very high95.2Very high1 Ų152.3 Ų52.31%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-118.6129.5-178.7-172.10000109.4L5 A7 R93 L94 I96 L109 L113 I122L5-V111 WeakPolarHBondContact O-CA 3.29Å; A7-V111 HydrophobicContact CB-CG1 4.2Å; R93-V111 WeakPolarHBondContact CA-O 3.47Å; L94-V111 HydrophobicContact CD1-CB 3.71Å; L94-V111 HydrophobicContact CD1-CG2 3.78Å; L94-V111 HydrophobicContact CG-CB 4.05Å; L94-V111 PolarHBondContact N-O 2.71Å; L94-V111 PolarHBondContact O-N 3.14Å; I96-V111 HydrophobicContact CG1-CG2 4.48Å; L109-V111 HydrophobicContact CD1-CG2 3.23Å; V111-L113 HydrophobicContact CG1-CD2 3.76Å; V111-L113 HydrophobicContact CG1-CG 4.27Å; V111-I122 HydrophobicContact CG1-CD1 4.42Å; V111-I122 HydrophobicContact CG1-CG1 4.47Å; V111-I122 HydrophobicContact CG2-CD1 4Å; V111-I122 HydrophobicContact CG2-CG1 4.21Å; V111-I122 HydrophobicContact CG2-CG2 4.12Å
112E96Very high95.2Very high64 Ų6449.3 Ų49.330%0.29924%0.244SC..EExtended strand (participates in β ladder)trans-106.1126.2167.9-70.4178.1-170.700108.8K4 L5 S92K4-E112 IonicContact NZ-OE1 2.83Å; K4-E112 PolarHBondContact NZ-OE1 2.7Å; L5-E112 PolarHBondContact O-N 3.1Å; S92-E112 WeakPolarHBondContact O-CA 3.35Å
113L94.2Very high95.1Very high7 Ų747 Ų474%0.03724%0.236CC..  trans-107.6124.8178.2-57.9177000108.4A7 P91 S92 L94 V111 P116 H145A7-L113 HydrophobicContact CB-CD2 3.35Å; P91-L113 HydrophobicContact CB-CD1 4.44Å; P91-L113 HydrophobicContact CG-CD1 4.14Å; S92-L113 PolarHBondContact O-N 3.15Å; L94-L113 HydrophobicContact CD2-CD1 4.04Å; V111-L113 HydrophobicContact CG1-CD2 3.76Å; V111-L113 HydrophobicContact CG1-CG 4.27Å; L113-P116 HydrophobicContact CB-CB 4.28Å; L113-P116 HydrophobicContact CB-CG 3.84Å; L113-P116 HydrophobicContact CD1-CG 4.25Å; L113-H145 PolarHBondContact O-CE1 2.8Å; L113-H145 PolarHBondContact O-NE2 3.1Å
114Q93.8Very high95.1Very high129 Ų12939 Ų3960%0.60320%0.199SC*.SBendtrans-107.6101.8179.6-63.9-173.8-2800108.7
115E93.7Very high94.9Very high117 Ų11739.8 Ų39.855%0.54720%0.203SC..SBendtrans44.554.4-179.7-59.3-16715800112.9Y83 T117 H145Y83-E115 HydrophobicContact CD1-CB 3.48Å; Y83-E115 VanDerWaalsContact CD1-CB 3.48Å; Y83-E115 HydrophobicContact CD1-CG 3.65Å; Y83-E115 HydrophobicContact CD2-CB 4.49Å; Y83-E115 HydrophobicContact CD2-CG 4.41Å; Y83-E115 HydrophobicContact CE1-CB 3.8Å; Y83-E115 HydrophobicContact CE1-CG 3.4Å; Y83-E115 WeakPolarHBondContact CE1-OE1 3.33Å; Y83-E115 HydrophobicContact CE2-CG 4.22Å; Y83-E115 HydrophobicContact CG-CB 3.83Å; Y83-E115 HydrophobicContact CG-CG 4.12Å; Y83-E115 VanDerWaalsContact CZ-OE1 3.29Å; Y83-E115 PolarHBondContact OH-OE1 3.31Å; E115-T117 PolarHBondContact O-N 2.94Å; E115-H145 PolarHBondContact N-NE2 3.28Å
116P94Very high94.7Very high8 Ų841.4 Ų41.45%0.05221%0.207CC..  trans-70.1131.7-169.733.6-40.1000111.5T81 Y83 T90 L113T81-P116 VanDerWaalsContact OG1-CB 3.28Å; T81-P116 WeakPolarHBondContact OG1-CB 3.24Å; T81-P116 VanDerWaalsContact OG1-CG 3.26Å; T81-P116 WeakPolarHBondContact OG1-CG 3.5Å; T81-P116 PolarHBondContact OG1-O 2.95Å; Y83-P116 PolarHBondContact N-O 2.81Å; T90-P116 HydrophobicContact CG2-CG 3.63Å; L113-P116 HydrophobicContact CB-CB 4.28Å; L113-P116 HydrophobicContact CB-CG 3.84Å; L113-P116 HydrophobicContact CD1-CG 4.25Å
117T93.4Very high94.4Very high50 Ų5041.3 Ų41.331%0.30721%0.212SC..EExtended strand (participates in β ladder)trans-126.4126.2170.2-58.40000109.2T81 E115T81-T117 CarbonylContact O-C 3.55Å; T81-T117 WeakPolarHBondContact O-CA 3.43Å; E115-T117 PolarHBondContact O-N 2.94Å
118G93.9Very high94.1Very high11 Ų1143.4 Ų43.411%0.11323%0.226CC..EExtended strand (participates in β ladder)trans88.9-155.2-177.900000113.5T81 S120T81-G118 PolarHBondContact N-O 2.94Å; T81-G118 PolarHBondContact O-N 2.95Å; G118-S120 PolarHBondContact O-N 3.39Å
119W94Very high93.9Very high52 Ų5245.8 Ų45.820%0.19725%0.252CS..EExtended strand (participates in β ladder)trans-77.5121.6-179.1-69.1107.7000112.1V13 C78 L79 Y80 A155 R157V13-W119 HydrophobicContact CB-CG 4.47Å; V13-W119 HydrophobicContact CG1-CB 3.58Å; V13-W119 HydrophobicContact CG1-CD2 3.91Å; V13-W119 HydrophobicContact CG1-CE3 4.31Å; V13-W119 HydrophobicContact CG1-CG 3.59Å; V13-W119 HydrophobicContact CG2-CD2 3.86Å; V13-W119 HydrophobicContact CG2-CE3 4.5Å; V13-W119 HydrophobicContact CG2-CG 4Å; V13-W119 HydrophobicContact CG2-CZ2 4.29Å; C78-W119 HydrophobicContact CB-CE3 3.86Å; C78-W119 HydrophobicContact CB-CZ3 4.12Å; L79-W119 WeakPolarHBondContact O-CA 3.49Å; Y80-W119 AromaticContact CD2-CD1 3.84Å; Y80-W119 AromaticContact CD2-CD2 3.7Å; Y80-W119 HydrophobicContact CD2-CD2 3.7Å; Y80-W119 AromaticContact CD2-CE2 3.54Å; Y80-W119 HydrophobicContact CD2-CE3 4.3Å; Y80-W119 AromaticContact CD2-CG 3.9Å; Y80-W119 HydrophobicContact CD2-CG 3.9Å; Y80-W119 HydrophobicContact CD2-CZ2 4.01Å; Y80-W119 AromaticContact CD2-NE1 3.61Å; Y80-W119 HydrophobicContact CG-CD2 4.39Å; W119-A155 HydrophobicContact CH2-CB 3.52Å; W119-A155 HydrophobicContact CZ2-CB 4.23Å; W119-A155 HydrophobicContact CZ3-CB 4.18Å; W119-R157 HydrophobicContact CH2-CG 3.99Å; W119-R157 HydrophobicContact CZ3-CG 4.3Å
120S94.2Very high93.7Very high3 Ų347.5 Ų47.52%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-95.6118.4166-720000109.4C78 L79 G118C78-S120 WeakPolarHBondContact CA-O 3.27Å; L79-S120 PolarHBondContact N-O 3.17Å; L79-S120 PolarHBondContact O-N 2.87Å; G118-S120 PolarHBondContact O-N 3.39Å
121V94.1Very high93.5Very high19 Ų1950.5 Ų50.512%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-101122-180-175.90000110.4I8 F11 V13 K76I8-V121 PolarHBondContact O-N 3.22Å; I8-V121 VanDerWaalsContact O-N 3.17Å; F11-V121 HydrophobicContact CB-CG2 3.9Å; V13-V121 HydrophobicContact CG1-CG2 3.83Å; K76-V121 HydrophobicContact CB-CG1 4.14Å; K76-V121 HydrophobicContact CD-CG1 3.91Å
122I94.5Very high93.5Very high2 Ų250.5 Ų50.51%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-111.9110.5-179.9-57.8163.2000108.3K76 L77 L79 L94 I96 L109 V111 L124K76-I122 CarbonylContact C-O 3.59Å; K76-I122 VanDerWaalsContact CA-O 3.31Å; K76-I122 WeakPolarHBondContact CA-O 3.49Å; L77-I122 HydrophobicContact CB-CB 4.33Å; L77-I122 HydrophobicContact CD2-CD1 4.1Å; L77-I122 PolarHBondContact N-O 2.79Å; L77-I122 PolarHBondContact O-N 3.45Å; L79-I122 HydrophobicContact CD1-CD1 3.77Å; L79-I122 HydrophobicContact CG-CD1 4.28Å; L94-I122 HydrophobicContact CD1-CD1 4.27Å; I96-I122 HydrophobicContact CD1-CD1 4.45Å; I96-I122 HydrophobicContact CG1-CG2 4.38Å; L109-I122 HydrophobicContact CD1-CG2 3.9Å; L109-I122 HydrophobicContact CD2-CG2 4.25Å; V111-I122 HydrophobicContact CG1-CD1 4.42Å; V111-I122 HydrophobicContact CG1-CG1 4.47Å; V111-I122 HydrophobicContact CG2-CD1 4Å; V111-I122 HydrophobicContact CG2-CG1 4.21Å; V111-I122 HydrophobicContact CG2-CG2 4.12Å; I122-L124 HydrophobicContact CG2-CD2 4.42Å
123P93.6Very high93.5Very high51 Ų5153.6 Ų53.633%0.33129%0.294SS..EExtended strand (participates in β ladder)trans-67.9137.4174.928.3-32.8000110.5L5L5-P123 HydrophobicContact CD1-CG 4.4Å; L5-P123 HydrophobicContact CD2-CG 4.24Å
124L95.2Very high93.7Very high0 Ų053.5 Ų53.50%029%0.294CS..  trans-11282.5-176.6-63.6179.9000110.2L74 S75 L77 I96 L108 I122 L132 L137 L158L74-L124 HydrophobicContact CB-CB 4.44Å; L74-L124 HydrophobicContact CB-CD1 3.74Å; L74-L124 HydrophobicContact CD1-CD1 4.25Å; S75-L124 PolarHBondContact O-N 2.86Å; L77-L124 HydrophobicContact CB-CD1 3.99Å; L77-L124 HydrophobicContact CB-CD2 4.25Å; L77-L124 HydrophobicContact CB-CG 4.23Å; I96-L124 HydrophobicContact CG2-CD2 3.98Å; L108-L124 HydrophobicContact CD2-CD2 4.4Å; I122-L124 HydrophobicContact CG2-CD2 4.42Å; L124-L132 HydrophobicContact CB-CB 4.44Å; L124-L132 HydrophobicContact CB-CD2 3.86Å; L124-L132 HydrophobicContact CD1-CD2 4.36Å; L124-L132 HydrophobicContact CD2-CD2 4.48Å; L124-L132 HydrophobicContact CG-CD2 4.47Å; L124-L132 WeakPolarHBondContact O-CB 3.32Å; L124-L137 HydrophobicContact CD1-CD2 4.2Å; L124-L158 HydrophobicContact CD1-CD1 3.75Å
125N93.7Very high93.9Very high77 Ų7750.6 Ų50.641%0.41228%0.279SS..BIsolated β-bridgetrans-131.4156173.1-61.1-59.2000109.5
126W93.7Very high94.1Very high74 Ų7445.1 Ų45.128%0.2825%0.254SS..  trans-66.5155.2167.6-70.4106.5000110.8V98 I106 L108 D128 G129 S130 L132V98-W126 HydrophobicContact CG2-CH2 3.63Å; V98-W126 HydrophobicContact CG2-CZ2 4.1Å; V98-W126 HydrophobicContact CG2-CZ3 4.47Å; I106-W126 HydrophobicContact CD1-CH2 3.55Å; I106-W126 HydrophobicContact CD1-CZ3 3.9Å; I106-W126 HydrophobicContact CG1-CH2 4.34Å; L108-W126 HydrophobicContact CD1-CD2 4.03Å; L108-W126 HydrophobicContact CD1-CE3 3.53Å; L108-W126 HydrophobicContact CD1-CH2 4.33Å; L108-W126 HydrophobicContact CD1-CZ3 3.7Å; W126-D128 WeakPolarHBondContact CB-OD1 3.47Å; W126-D128 PolarHBondContact O-N 2.9Å; W126-D128 VanDerWaalsContact O-N 3.12Å; W126-G129 WeakPolarHBondContact O-CA 3.31Å; W126-G129 PolarHBondContact O-N 2.83Å; W126-S130 WeakPolarHBondContact CB-OG 3.46Å; W126-S130 PolarHBondContact N-O 2.89Å; W126-L132 HydrophobicContact CZ2-CD1 3.84Å
127P90.7Very high94.3Very high91 Ų9144.7 Ų44.759%0.59125%0.251SS*.THydrogen-bonded Turntrans-58.9-23.7178.4-26.235.3000114.5F3 G129F3-P127 HydrophobicContact CD2-CB 4.29Å; F3-P127 HydrophobicContact CE2-CB 4.41Å; P127-G129 PolarHBondContact O-N 3.4Å
128D91.1Very high94.6Very high128 Ų12843.1 Ų43.168%0.68424%0.24SC*.THydrogen-bonded Turntrans-79.8-0.4174.267.9-5.8000113.5W126 S130W126-D128 WeakPolarHBondContact CB-OD1 3.47Å; W126-D128 PolarHBondContact O-N 2.9Å; W126-D128 VanDerWaalsContact O-N 3.12Å; D128-S130 VanDerWaalsContact C-N 3.34Å; D128-S130 VanDerWaalsContact OD1-CB 3.26Å; D128-S130 WeakPolarHBondContact OD1-CB 3.38Å; D128-S130 PolarHBondContact OD1-N 2.67Å; D128-S130 PolarHBondContact OD1-OG 3.12Å; D128-S130 PolarHBondContact OD2-OG 2.98Å
129G89.9Confident94.8Very high57 Ų5742.6 Ų42.659%0.58824%0.235SC*.SBendtrans85.30.1-177.600000114.3W126 P127W126-G129 WeakPolarHBondContact O-CA 3.31Å; W126-G129 PolarHBondContact O-N 2.83Å; P127-G129 PolarHBondContact O-N 3.4Å
130S91.6Very high95Very high42 Ų4240.2 Ų40.229%0.29423%0.226SC..PPolyproline II helixtrans-72.3146.3179.366.90000112.1W126 D128W126-S130 WeakPolarHBondContact CB-OG 3.46Å; W126-S130 PolarHBondContact N-O 2.89Å; D128-S130 VanDerWaalsContact C-N 3.34Å; D128-S130 VanDerWaalsContact OD1-CB 3.26Å; D128-S130 WeakPolarHBondContact OD1-CB 3.38Å; D128-S130 PolarHBondContact OD1-N 2.67Å; D128-S130 PolarHBondContact OD1-OG 3.12Å; D128-S130 PolarHBondContact OD2-OG 2.98Å
131P93.1Very high95.2Very high78 Ų7840.1 Ų40.151%0.50623%0.225SC..BIsolated β-bridgetrans-62.1138.5-179.8-23.633.3000112.7I73 R133I73-P131 HydrophobicContact CG2-CB 4.25Å; P131-R133 PolarHBondContact O-N 2.82Å
132L96Very high95.3Very high0 Ų041.4 Ų41.40%024%0.235CC..EExtended strand (participates in β ladder)trans-73.1123.1176.6178.464.5000111I73 L74 V98 L108 L124 W126 L137I73-L132 WeakPolarHBondContact CA-O 3.42Å; L74-L132 HydrophobicContact CB-CD2 4.24Å; L74-L132 HydrophobicContact CD1-CD2 4.23Å; L74-L132 PolarHBondContact N-O 2.94Å; V98-L132 HydrophobicContact CB-CD1 4.25Å; V98-L132 HydrophobicContact CG1-CD1 3.85Å; V98-L132 HydrophobicContact CG1-CD2 3.8Å; V98-L132 HydrophobicContact CG1-CG 4.4Å; V98-L132 HydrophobicContact CG2-CD1 4.14Å; L108-L132 HydrophobicContact CD2-CD1 4.31Å; L108-L132 HydrophobicContact CD2-CD2 3.85Å; L124-L132 HydrophobicContact CB-CB 4.44Å; L124-L132 HydrophobicContact CB-CD2 3.86Å; L124-L132 HydrophobicContact CD1-CD2 4.36Å; L124-L132 HydrophobicContact CD2-CD2 4.48Å; L124-L132 HydrophobicContact CG-CD2 4.47Å; L124-L132 WeakPolarHBondContact O-CB 3.32Å; W126-L132 HydrophobicContact CZ2-CD1 3.84Å; L132-L137 HydrophobicContact CD2-CD1 4.26Å
133R95.9Very high95.5Very high129 Ų12942.8 Ų42.849%0.48725%0.247SC..EExtended strand (participates in β ladder)trans-124.2116.9171.2-58.2-164.7171.2165.9-5.3110.7K71 M72 I73 P131 E163K71-R133 HydrophobicContact CD-CB 4.42Å; K71-R133 WeakPolarHBondContact CE-O 3.46Å; K71-R133 HydrophobicContact CG-CB 4.28Å; M72-R133 VanDerWaalsContact O-CA 3.3Å; M72-R133 WeakPolarHBondContact O-CA 3.42Å; I73-R133 HydrophobicContact CB-CG 4.46Å; I73-R133 VanDerWaalsContact CD1-NE 3.27Å; I73-R133 HydrophobicContact CG1-CG 3.92Å; I73-R133 HydrophobicContact CG2-CG 4.41Å; P131-R133 PolarHBondContact O-N 2.82Å; R133-E163 IonicContact NH2-OE1 2.82Å
134T97.4Very high95.7Very high5 Ų540.7 Ų40.73%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-143.8156.8-173.8-166.20000112.8M72 L74 V98 G99 L136 L137M72-T134 PolarHBondContact N-O 3.14Å; M72-T134 PolarHBondContact O-N 2.87Å; L74-T134 HydrophobicContact CD1-CG2 3.72Å; V98-T134 HydrophobicContact CG1-CG2 4.38Å; G99-T134 PolarHBondContact N-OG1 3.38Å; G99-T134 PolarHBondContact O-OG1 3.36Å; T134-L136 WeakPolarHBondContact CG2-O 3.32Å; T134-L136 PolarHBondContact OG1-N 3Å; T134-L136 PolarHBondContact OG1-O 3.18Å; T134-L137 HydrophobicContact CG2-CB 4.49Å
135F97.8Very high95.8Very high68 Ų6841.7 Ų41.730%0.29824%0.238SC..EExtended strand (participates in β ladder)trans-92.3-29166-72.5-87.9000111.4Q67 F68 K71 G99 N100Q67-F135 CarbonylContact C-O 3.59Å; Q67-F135 WeakPolarHBondContact CA-O 3.27Å; F68-F135 PolarHBondContact N-O 3.24Å; K71-F135 HydrophobicContact CB-CD1 4.39Å; K71-F135 HydrophobicContact CB-CD2 4.13Å; K71-F135 HydrophobicContact CB-CE1 4.09Å; K71-F135 HydrophobicContact CB-CE2 3.8Å; K71-F135 HydrophobicContact CB-CG 4.42Å; K71-F135 HydrophobicContact CB-CZ 3.78Å; K71-F135 HydrophobicContact CD-CD2 4.19Å; K71-F135 HydrophobicContact CD-CE2 3.9Å; K71-F135 HydrophobicContact CG-CD2 4.01Å; K71-F135 HydrophobicContact CG-CE2 3.98Å; K71-F135 HydrophobicContact CG-CZ 4.47Å; G99-F135 PolarHBondContact O-N 3.48Å; N100-F135 HydrophobicContact CB-CD2 4.32Å; N100-F135 WeakPolarHBondContact OD1-CD2 3.25Å
136L98.5Very high95.9Very high2 Ų243.8 Ų43.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-127.4128.9179.6-179.462.3000109.9N65 I66 Q67 V98 G99 T101 I102 L105 T134N65-L136 HydrophobicContact CB-CD1 4.16Å; I66-L136 WeakPolarHBondContact O-CA 3.06Å; Q67-L136 HydrophobicContact CB-CD1 4.08Å; V98-L136 VanDerWaalsContact CA-O 3.32Å; V98-L136 WeakPolarHBondContact CA-O 3.26Å; G99-L136 PolarHBondContact N-O 2.92Å; G99-L136 VanDerWaalsContact N-O 3.15Å; G99-L136 PolarHBondContact O-N 2.85Å; T101-L136 WeakPolarHBondContact O-CD2 3.33Å; I102-L136 HydrophobicContact CB-CD2 4.45Å; I102-L136 HydrophobicContact CG2-CD2 3.8Å; L105-L136 HydrophobicContact CD1-CD2 4.36Å; L105-L136 HydrophobicContact CD2-CD2 3.68Å; L105-L136 HydrophobicContact CD2-CG 4.03Å; L105-L136 HydrophobicContact CG-CD2 4.16Å; T134-L136 WeakPolarHBondContact CG2-O 3.32Å; T134-L136 PolarHBondContact OG1-N 3Å; T134-L136 PolarHBondContact OG1-O 3.18Å
137L98.6Very high95.9Very high0 Ų047.9 Ų47.90%027%0.272CS..EExtended strand (participates in β ladder)trans-111128.6162.8-171.876.4000107.4I66 L74 I96 R97 V98 L124 L132 T134 L158I66-L137 HydrophobicContact CB-CB 4.29Å; I66-L137 HydrophobicContact CD1-CD2 4.13Å; I66-L137 PolarHBondContact N-O 2.77Å; I66-L137 PolarHBondContact O-N 3.36Å; L74-L137 HydrophobicContact CD1-CB 4.22Å; L74-L137 HydrophobicContact CD1-CD1 4.27Å; L74-L137 HydrophobicContact CD1-CD2 4.12Å; L74-L137 HydrophobicContact CD1-CG 4.45Å; I96-L137 HydrophobicContact CG2-CD1 3.54Å; I96-L137 HydrophobicContact CG2-CG 4.35Å; R97-L137 CarbonylContact O-C 3.55Å; R97-L137 WeakPolarHBondContact O-CA 3.35Å; V98-L137 HydrophobicContact CG1-CD1 3.55Å; L124-L137 HydrophobicContact CD1-CD2 4.2Å; L132-L137 HydrophobicContact CD2-CD1 4.26Å; T134-L137 HydrophobicContact CG2-CB 4.49Å; L137-L158 HydrophobicContact CD2-CD1 3.84Å; L137-L158 HydrophobicContact CD2-CD2 4.08Å
138Q98.6Very high96.2Very high17 Ų1744 Ų448%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-119.1130.4173.5173.5-178.897.300109.5C63 V64 N65 R97 L105C63-Q138 HydrophobicContact CB-CG 4.24Å; V64-Q138 CarbonylContact O-C 3.56Å; V64-Q138 WeakPolarHBondContact O-CA 3.31Å; N65-Q138 WeakPolarHBondContact OD1-CG 3.48Å; N65-Q138 PolarHBondContact OD1-NE2 3.27Å; R97-Q138 HydrophobicContact CB-CB 4.2Å; R97-Q138 VanDerWaalsContact CD-OE1 3.28Å; R97-Q138 PolarHBondContact N-O 3.3Å; R97-Q138 VanDerWaalsContact NH1-OE1 3.12Å; R97-Q138 PolarHBondContact O-N 3.23Å; L105-Q138 HydrophobicContact CD1-CB 4.1Å; L105-Q138 VanDerWaalsContact CD1-CD 3.49Å; L105-Q138 HydrophobicContact CD1-CG 4.41Å; L105-Q138 HydrophobicContact CD2-CB 4.23Å
139I98.5Very high96.4Very high0 Ų047 Ų470%025%0.25CS..EExtended strand (participates in β ladder)trans-100116.1168.3-53.8164.4000106C63 V64 I66 L77 L79 L94 I96 I141 I156C63-I139 CarbonylContact C-O 3.51Å; C63-I139 WeakPolarHBondContact CA-O 3.27Å; V64-I139 HydrophobicContact CB-CB 4.25Å; V64-I139 HydrophobicContact CB-CD1 4.32Å; V64-I139 PolarHBondContact N-O 3.21Å; V64-I139 PolarHBondContact O-N 2.78Å; I66-I139 HydrophobicContact CD1-CD1 4.38Å; L77-I139 HydrophobicContact CD1-CD1 3.93Å; L77-I139 HydrophobicContact CD2-CD1 3.64Å; L77-I139 HydrophobicContact CD2-CG1 3.75Å; L77-I139 HydrophobicContact CG-CD1 4.4Å; L79-I139 HydrophobicContact CD2-CD1 4.08Å; L94-I139 HydrophobicContact CD1-CG2 4.29Å; L94-I139 HydrophobicContact CD2-CG2 4.34Å; I96-I139 HydrophobicContact CD1-CB 4.4Å; I96-I139 HydrophobicContact CD1-CG1 4Å; I96-I139 HydrophobicContact CD1-CG2 4.18Å; I139-I141 HydrophobicContact CG2-CG1 4.35Å; I139-I156 HydrophobicContact CD1-CD1 3.31Å
140A98.2Very high96.8Very high1 Ų145.2 Ų45.21%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-112.4101.1179.900000109.6P61 L94 A95 S142P61-A140 HydrophobicContact CB-CB 4.3Å; L94-A140 CarbonylContact C-O 3.48Å; L94-A140 VanDerWaalsContact CA-O 3.27Å; L94-A140 WeakPolarHBondContact CA-O 3.37Å; A95-A140 PolarHBondContact N-O 3.27Å; A95-A140 PolarHBondContact O-N 3.21Å; A140-S142 PolarHBondContact O-N 3.3Å
141I98.3Very high97.1Very high1 Ų143.2 Ų43.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-80.6113.4178.2-61.5165.6000108W54 P61 H62 P91 L94 I139 N144 T151W54-I141 HydrophobicContact CH2-CD1 4.38Å; W54-I141 HydrophobicContact CZ3-CD1 3.93Å; P61-I141 CarbonylContact C-O 3.55Å; P61-I141 WeakPolarHBondContact CA-O 3.22Å; P61-I141 WeakPolarHBondContact CB-O 3.06Å; H62-I141 HydrophobicContact CB-CB 4.27Å; H62-I141 PolarHBondContact N-O 2.7Å; H62-I141 PolarHBondContact O-N 3.04Å; P91-I141 HydrophobicContact CB-CD1 4.28Å; P91-I141 HydrophobicContact CB-CG1 4.36Å; P91-I141 HydrophobicContact CB-CG2 3.74Å; L94-I141 HydrophobicContact CB-CG1 4.02Å; L94-I141 HydrophobicContact CD2-CG1 4.49Å; I139-I141 HydrophobicContact CG2-CG1 4.35Å; I141-N144 WeakPolarHBondContact CG2-OD1 3.06Å; I141-T151 HydrophobicContact CD1-CG2 3.76Å
142S97Very high97.3Very high47 Ų4740.2 Ų40.233%0.32919%0.192SC..EExtended strand (participates in β ladder)trans-103-18.6-173.358.80000113.6Q60 R93 A140Q60-S142 PolarHBondContact OE1-O 2.81Å; Q60-S142 VanDerWaalsContact OE1-O 3.09Å; R93-S142 PolarHBondContact O-N 2.81Å; R93-S142 PolarHBondContact O-OG 2.77Å; A140-S142 PolarHBondContact O-N 3.3Å
143A97.5Very high97.4Very high31 Ų3140.2 Ų40.226%0.25619%0.192SC..EExtended strand (participates in β ladder)trans-153.8152174.200000111.5S92 R93S92-A143 PolarHBondContact N-O 3.45Å; S92-A143 VanDerWaalsContact OG-C 3.24Å; S92-A143 PolarHBondContact OG-O 2.78Å; S92-A143 VanDerWaalsContact OG-O 3.1Å; R93-A143 HydrophobicContact CB-CB 4.06Å; R93-A143 PolarHBondContact N-O 3.44Å; R93-A143 VanDerWaalsContact N-O 3.07Å; R93-A143 PolarHBondContact O-N 2.96Å
144N97.8Very high97.5Very high6 Ų635 Ų353%0.03217%0.173CC..EExtended strand (participates in β ladder)trans-113.9168.5174.3-60.3-10.2000110.8S88 T90 S92 I141 D150 T151S88-N144 VanDerWaalsContact O-CB 3.29Å; S88-N144 WeakPolarHBondContact O-CB 3.13Å; T90-N144 CarbonylContact O-C 3.59Å; T90-N144 WeakPolarHBondContact O-CA 3.3Å; T90-N144 WeakPolarHBondContact O-CB 3.34Å; S92-N144 WeakPolarHBondContact OG-CA 3.33Å; S92-N144 PolarHBondContact OG-N 3.15Å; S92-N144 PolarHBondContact OG-O 2.84Å; I141-N144 WeakPolarHBondContact CG2-OD1 3.06Å; N144-D150 PolarHBondContact ND2-O 3.04Å; N144-T151 WeakPolarHBondContact ND2-CA 3.37Å; N144-T151 PolarHBondContact ND2-N 2.83Å
145H97.2Very high97.4Very high22 Ų2235 Ų3510%0.10217%0.173CC..G310 helixtrans-64.8152.1172.5-72.276.1000110.1Y83 S88 T90 P91 L113 E115 N147 G148Y83-H145 HydrophobicContact CD2-CB 4.19Å; Y83-H145 AromaticContact CD2-CG 3.97Å; Y83-H145 HydrophobicContact CE2-CB 3.71Å; Y83-H145 AromaticContact CE2-CD2 3.79Å; Y83-H145 AromaticContact CE2-CG 3.78Å; S88-H145 WeakPolarHBondContact CA-O 3.3Å; T90-H145 PolarHBondContact O-N 2.92Å; T90-H145 PolarHBondContact O-ND1 3.12Å; P91-H145 PolarHBondContact O-CE1 2.88Å; P91-H145 VanDerWaalsContact O-CE1 3.27Å; P91-H145 PolarHBondContact O-ND1 2.9Å; L113-H145 PolarHBondContact O-CE1 2.8Å; L113-H145 PolarHBondContact O-NE2 3.1Å; E115-H145 PolarHBondContact N-NE2 3.28Å; H145-N147 PolarHBondContact O-N 3.33Å; H145-G148 PolarHBondContact O-N 2.96Å
146Q96.1Very high97.3Very high121 Ų12132 Ų3257%0.56516%0.16SC*.G310 helixtrans5524.6178.1-53.7175.6-7.600114.5G148Q146-G148 PolarHBondContact O-N 3.03Å
147N94.2Very high97.1Very high160 Ų16034.4 Ų34.486%0.85617%0.169SC*.G310 helixtrans56.333.5-173.2-53.2-56000113.5H145H145-N147 PolarHBondContact O-N 3.33Å
148G96.2Very high97Very high8 Ų834.4 Ų34.48%0.08217%0.169CC..  trans-58144.4174.500000112.4Q60 S88 H145 Q146Q60-G148 PolarHBondContact NE2-O 2.62Å; S88-G148 WeakPolarHBondContact O-CA 3.22Å; H145-G148 PolarHBondContact O-N 2.96Å; Q146-G148 PolarHBondContact O-N 3.03Å
149R96.5Very high96.9Very high192 Ų19233.6 Ų33.673%0.72517%0.165SC*.SBendtrans-79.2-47.8-175.9179.6177.7172.8164.3-2.6112Q60 H62Q60-R149 PolarHBondContact NE2-O 3.42Å; Q60-R149 VanDerWaalsContact NE2-O 3.15Å; H62-R149 PolarHBondContact NE2-O 2.58Å
150D97.4Very high96.8Very high19 Ų1933.7 Ų33.710%0.10217%0.166CC..SBendtrans-112.7152.5-174.7-67.3-58.3000111S56 H62 Y89 N144S56-D150 WeakPolarHBondContact OG-CA 3.32Å; S56-D150 VanDerWaalsContact OG-CB 3.3Å; S56-D150 WeakPolarHBondContact OG-CB 3.2Å; S56-D150 PolarHBondContact OG-OD1 3.34Å; S56-D150 VanDerWaalsContact OG-OD1 3.12Å; H62-D150 IonicContact CE1-OD1 3.97Å; Y89-D150 WeakPolarHBondContact CA-O 3.42Å; Y89-D150 HydrophobicContact CD1-CB 4.09Å; Y89-D150 VanDerWaalsContact CD1-O 3.25Å; Y89-D150 WeakPolarHBondContact CD1-O 3.28Å; Y89-D150 HydrophobicContact CE1-CB 4.06Å; N144-D150 PolarHBondContact ND2-O 3.04Å
151T98.2Very high96.5Very high0 Ų035.6 Ų35.60%018%0.179CC..  trans-108.3143.7-176.6-166.20000111.7W54 Q55 S56 H62 Y89 I141 N144W54-T151 HydrophobicContact CE3-CG2 4.46Å; W54-T151 HydrophobicContact CH2-CG2 3.92Å; W54-T151 HydrophobicContact CZ2-CG2 4.42Å; W54-T151 HydrophobicContact CZ3-CG2 3.93Å; Q55-T151 WeakPolarHBondContact CA-O 3.44Å; S56-T151 PolarHBondContact N-O 3.14Å; S56-T151 VanDerWaalsContact N-O 3.12Å; S56-T151 PolarHBondContact OG-N 3.35Å; H62-T151 HydrophobicContact CB-CG2 3.91Å; Y89-T151 CarbonylContact O-C 3.55Å; Y89-T151 VanDerWaalsContact O-CA 3.25Å; Y89-T151 WeakPolarHBondContact O-CA 3.38Å; Y89-T151 PolarHBondContact O-OG1 3.02Å; I141-T151 HydrophobicContact CD1-CG2 3.76Å; N144-T151 WeakPolarHBondContact ND2-CA 3.37Å; N144-T151 PolarHBondContact ND2-N 2.83Å
152H98.3Very high96Very high15 Ų1538.5 Ų38.57%0.06920%0.196CC..EExtended strand (participates in β ladder)trans-103.4134.6162.3-69.2179.9000109.4F53 W54 D86 Y89F53-H152 HydrophobicContact CB-CB 4.45Å; F53-H152 HydrophobicContact CD2-CB 4.25Å; F53-H152 AromaticContact CD2-CD2 3.77Å; F53-H152 AromaticContact CD2-CE1 3.99Å; F53-H152 AromaticContact CD2-CG 3.7Å; F53-H152 AromaticContact CD2-ND1 3.84Å; F53-H152 AromaticContact CD2-NE2 3.97Å; F53-H152 AromaticContact CE2-CD2 3.85Å; F53-H152 AromaticContact CE2-CE1 3.47Å; F53-H152 VanDerWaalsContact CE2-CE1 3.47Å; F53-H152 WeakPolarHBondContact CE2-CE1 3.46Å; F53-H152 AromaticContact CE2-CG 3.99Å; F53-H152 AromaticContact CE2-ND1 3.75Å; F53-H152 AromaticContact CE2-NE2 3.53Å; F53-H152 HydrophobicContact CG-CB 4.45Å; F53-H152 AromaticContact CZ-CE1 3.83Å; W54-H152 VanDerWaalsContact O-CA 3.27Å; W54-H152 WeakPolarHBondContact O-CA 3.48Å; D86-H152 HydrophobicContact CB-CB 4.24Å; D86-H152 IonicContact OD1-CG 3.63Å; D86-H152 IonicContact OD1-ND1 3.71Å; D86-H152 PolarHBondContact OD1-ND1 3.4Å; Y89-H152 AromaticContact CD1-CD2 3.72Å; Y89-H152 AromaticContact CD1-NE2 3.48Å; Y89-H152 WeakPolarHBondContact CD1-NE2 3.34Å; Y89-H152 AromaticContact CE1-NE2 3.97Å; Y89-H152 AromaticContact CG-CD2 3.86Å; Y89-H152 AromaticContact CG-CE1 3.76Å; Y89-H152 AromaticContact CG-NE2 3.65Å; Y89-H152 PolarHBondContact O-N 3.41Å
153L97.6Very high94.7Very high1 Ų139.5 Ų39.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-134.2115.7168.5-173.262.9000107.8L45 F53 W54 L79 T81L45-L153 HydrophobicContact CD1-CB 3.99Å; L45-L153 HydrophobicContact CD1-CD2 3.53Å; L45-L153 HydrophobicContact CD1-CG 3.61Å; F53-L153 WeakPolarHBondContact CA-O 3.4Å; W54-L153 HydrophobicContact CE3-CB 3.84Å; W54-L153 HydrophobicContact CE3-CD2 4.22Å; W54-L153 HydrophobicContact CZ3-CB 4.46Å; W54-L153 HydrophobicContact CZ3-CD2 4.41Å; W54-L153 PolarHBondContact N-O 3.23Å; W54-L153 PolarHBondContact O-N 2.88Å; L79-L153 HydrophobicContact CB-CD1 4.09Å; L79-L153 HydrophobicContact CD2-CD1 4.33Å; L79-L153 HydrophobicContact CD2-CD2 4.09Å; T81-L153 HydrophobicContact CG2-CD1 3.78Å
154R96.9Very high92.6Very high19 Ų1943.3 Ų43.37%0.07222%0.219CC..  trans-79.7-40.7-167.8-75.9172178.5-80.4-9.9112.9T50 T52 F53 Y80 V85 D86T50-R154 WeakPolarHBondContact O-CD 3.33Å; T50-R154 PolarHBondContact O-NH1 2.89Å; T52-R154 WeakPolarHBondContact O-CA 3.48Å; F53-R154 HydrophobicContact CB-CB 4.49Å; F53-R154 HydrophobicContact CB-CG 3.88Å; Y80-R154 HydrophobicContact CD1-CB 3.82Å; Y80-R154 PolarHBondContact O-N 3.04Å; Y80-R154 VanDerWaalsContact O-N 3.14Å; V85-R154 VanDerWaalsContact CG1-NH2 3.29Å; D86-R154 IonicContact OD1-CZ 3.81Å; D86-R154 IonicContact OD1-NE 2.94Å; D86-R154 IonicContact OD1-NH2 3.85Å; D86-R154 PolarHBondContact OD1-NH2 2.91Å; D86-R154 IonicContact OD2-CZ 2.72Å; D86-R154 IonicContact OD2-NE 2.67Å; D86-R154 PolarHBondContact OD2-NE 2.92Å; D86-R154 IonicContact OD2-NH2 3.92Å; D86-R154 PolarHBondContact OD2-NH2 2.87Å
155A96Very high90.4Very high4 Ų450.5 Ų50.53%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-152.9155.8176.100000111.7L45 Y80 W119L45-A155 WeakPolarHBondContact O-CA 3.18Å; Y80-A155 PolarHBondContact N-O 2.86Å; W119-A155 HydrophobicContact CH2-CB 3.52Å; W119-A155 HydrophobicContact CZ2-CB 4.23Å; W119-A155 HydrophobicContact CZ3-CB 4.18Å
156I96.1Very high88.3Confident7 Ų752.3 Ų52.34%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-132.6142.3172.6-171.4158000110.2W31 L45 L46 I66 L77 C78 L79 I139W31-I156 HydrophobicContact CH2-CB 4.45Å; W31-I156 HydrophobicContact CH2-CD1 3.83Å; W31-I156 HydrophobicContact CH2-CG1 4.01Å; W31-I156 HydrophobicContact CH2-CG2 3.54Å; W31-I156 HydrophobicContact CZ2-CG2 4.48Å; W31-I156 HydrophobicContact CZ3-CD1 3.71Å; W31-I156 HydrophobicContact CZ3-CG1 4.31Å; W31-I156 HydrophobicContact CZ3-CG2 3.68Å; L45-I156 HydrophobicContact CD1-CB 4.04Å; L45-I156 HydrophobicContact CD1-CG2 3.96Å; L45-I156 HydrophobicContact CD2-CG2 4.27Å; L45-I156 HydrophobicContact CG-CB 4.31Å; L45-I156 HydrophobicContact CG-CG2 3.66Å; L45-I156 PolarHBondContact O-N 3.22Å; L45-I156 VanDerWaalsContact O-N 3.12Å; L46-I156 HydrophobicContact CD2-CG2 3.57Å; I66-I156 HydrophobicContact CD1-CD1 4.22Å; L77-I156 HydrophobicContact CD1-CD1 3.61Å; L77-I156 HydrophobicContact CD1-CG1 3.69Å; C78-I156 CarbonylContact O-C 3.52Å; C78-I156 WeakPolarHBondContact O-CA 3.49Å; L79-I156 HydrophobicContact CD2-CB 4.41Å; L79-I156 HydrophobicContact CD2-CD1 3.7Å; L79-I156 HydrophobicContact CD2-CG1 3.83Å; I139-I156 HydrophobicContact CD1-CD1 3.31Å
157R95Very high86.1Confident51 Ų5153.3 Ų53.319%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-130.2144.6162.9-62.7-173.4173.6-145.2-4.3110.5E17 C78 W119 H159E17-R157 VanDerWaalsContact CD-NH1 3.25Å; E17-R157 IonicContact OE1-CZ 3.66Å; E17-R157 IonicContact OE1-NH1 3.43Å; E17-R157 PolarHBondContact OE1-NH1 3.34Å; E17-R157 IonicContact OE2-NH1 3.45Å; E17-R157 PolarHBondContact OE2-NH1 2.96Å; C78-R157 HydrophobicContact CB-CB 4.06Å; C78-R157 PolarHBondContact N-O 3.37Å; C78-R157 PolarHBondContact O-N 2.99Å; W119-R157 HydrophobicContact CH2-CG 3.99Å; W119-R157 HydrophobicContact CZ3-CG 4.3Å; R157-H159 WeakPolarHBondContact CB-NE2 3.46Å
158L96.5Very high84.1Confident0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-127.9121.7177.5-174.558.1000109.1V25 C26 I66 F68 L74 L77 L124 L137V25-L158 HydrophobicContact CG2-CB 4.3Å; V25-L158 HydrophobicContact CG2-CD2 4.39Å; V25-L158 HydrophobicContact CG2-CG 3.97Å; V25-L158 VanDerWaalsContact CG2-O 3.28Å; V25-L158 WeakPolarHBondContact CG2-O 3.35Å; V25-L158 PolarHBondContact N-O 2.86Å; C26-L158 PolarHBondContact SG-N 3.29Å; C26-L158 VanDerWaalsContact SG-N 3.36Å; I66-L158 HydrophobicContact CD1-CD2 4.05Å; I66-L158 HydrophobicContact CG2-CD2 3.87Å; F68-L158 HydrophobicContact CE2-CD2 4.05Å; F68-L158 HydrophobicContact CZ-CD2 3.59Å; L74-L158 HydrophobicContact CD1-CD1 4.27Å; L74-L158 HydrophobicContact CD1-CD2 4.27Å; L74-L158 HydrophobicContact CD2-CD1 4.09Å; L74-L158 HydrophobicContact CD2-CD2 3.92Å; L74-L158 HydrophobicContact CD2-CG 3.87Å; L77-L158 HydrophobicContact CB-CD1 4.28Å; L77-L158 HydrophobicContact CD1-CD1 4.26Å; L124-L158 HydrophobicContact CD1-CD1 3.75Å; L137-L158 HydrophobicContact CD2-CD1 3.84Å; L137-L158 HydrophobicContact CD2-CD2 4.08Å
159H95.8Very high81.9Confident0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-112.3137.1-170.9-65-146.2000110.4V13 E17 V22 R23 S75 K76 R157V13-H159 PolarHBondContact O-CE1 2.82Å; V13-H159 VanDerWaalsContact O-CE1 3.3Å; E17-H159 IonicContact OE1-CE1 2.8Å; E17-H159 PolarHBondContact OE1-CE1 3.43Å; E17-H159 IonicContact OE1-ND1 3.65Å; E17-H159 IonicContact OE1-NE2 3.61Å; E17-H159 PolarHBondContact OE1-NE2 2.79Å; E17-H159 VanDerWaalsContact OE1-NE2 3.15Å; V22-H159 HydrophobicContact CB-CB 4.12Å; V22-H159 HydrophobicContact CG2-CB 4.16Å; V22-H159 WeakPolarHBondContact CG2-ND1 3.35Å; R23-H159 CarbonylContact O-C 3.59Å; R23-H159 VanDerWaalsContact O-CA 3.3Å; R23-H159 WeakPolarHBondContact O-CA 2.96Å; S75-H159 PolarHBondContact N-O 2.77Å; K76-H159 WeakPolarHBondContact CE-ND1 3.21Å; K76-H159 HydrophobicContact CG-CB 3.69Å; K76-H159 PolarHBondContact N-O 2.76Å; K76-H159 PolarHBondContact O-N 3.4Å; R157-H159 WeakPolarHBondContact CB-NE2 3.46Å
160S95.6Very high79.8Confident3 Ų352.5 Ų52.52%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-105146.6167.6167.70000109.2V22 R23 I73V22-S160 CarbonylContact C-O 3.5Å; V22-S160 WeakPolarHBondContact CA-O 3.46Å; V22-S160 WeakPolarHBondContact CB-O 3.48Å; R23-S160 PolarHBondContact N-O 3.42Å; R23-S160 PolarHBondContact O-N 3.23Å; I73-S160 WeakPolarHBondContact O-CB 3.22Å; I73-S160 PolarHBondContact O-OG 3.45Å; I73-S160 VanDerWaalsContact O-OG 3.12Å
161P93.1Very high77.4Confident41 Ų4153.5 Ų53.527%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-59.9145.1165.928.9-32.6000109.6I73 E163I73-P161 HydrophobicContact CB-CG 4.38Å; I73-P161 HydrophobicContact CG2-CG 3.8Å; P161-E163 PolarHBondContact O-N 3.28Å
162V87.2Confident75.2Confident62 Ų6258.5 Ų58.538%0.37633%0.334SS..  trans-78.1103.5165.7179.20000106.4G20 K21 R23 C164G20-V162 WeakPolarHBondContact O-CB 3.3Å; G20-V162 WeakPolarHBondContact O-CG2 3.21Å; K21-V162 PolarHBondContact O-N 2.72Å; R23-V162 HydrophobicContact CB-CG2 4.21Å; R23-V162 HydrophobicContact CG-CG2 4.44Å; V162-C164 PolarHBondContact O-N 2.81Å
163E70.6Confident73.1Confident68 Ų6864 Ų6432%0.31836%0.358SS..  trans-72.1113.6168.3-68.9-168.8156.800107.6I73 R133 P161 R165I73-E163 HydrophobicContact CD1-CG 4.48Å; I73-E163 WeakPolarHBondContact CD1-OE1 3.44Å; R133-E163 IonicContact NH2-OE1 2.82Å; P161-E163 PolarHBondContact O-N 3.28Å; E163-R165 HydrophobicContact CB-CG 4.12Å; E163-R165 PolarHBondContact O-N 2.98Å; E163-R165 IonicContact OE1-NH2 2.67Å; E163-R165 PolarHBondContact OE1-NH2 3.27Å; E163-R165 IonicContact OE2-CZ 3.15Å; E163-R165 IonicContact OE2-NE 3.65Å; E163-R165 PolarHBondContact OE2-NE 2.67Å; E163-R165 IonicContact OE2-NH2 2.84Å; E163-R165 PolarHBondContact OE2-NH2 3.08Å
164C53.1Low71.1Confident111 Ų11167.5 Ų67.575%0.7538%0.379SS*.  trans-68.279.2166.3-73.50000109.2V162V162-C164 PolarHBondContact O-N 2.81Å
165R50.4Low69.2Low156 Ų15669.5 Ų69.559%0.58940%0.396SS*.  trans-98100.1169.5-68.8-162-170.2-165.97.5109.7E163 L167 D168E163-R165 HydrophobicContact CB-CG 4.12Å; E163-R165 PolarHBondContact O-N 2.98Å; E163-R165 IonicContact OE1-NH2 2.67Å; E163-R165 PolarHBondContact OE1-NH2 3.27Å; E163-R165 IonicContact OE2-CZ 3.15Å; E163-R165 IonicContact OE2-NE 3.65Å; E163-R165 PolarHBondContact OE2-NE 2.67Å; E163-R165 IonicContact OE2-NH2 2.84Å; E163-R165 PolarHBondContact OE2-NH2 3.08Å; R165-L167 PolarHBondContact O-N 3.24Å; R165-D168 PolarHBondContact O-N 2.82Å
166G54.4Low67.4Low60 Ų6079.6 Ų79.662%0.61943%0.433SS*.G310 helixtrans41.6-93.9162.900000115.7D168 T169G166-D168 PolarHBondContact O-N 2.97Å; G166-T169 WeakPolarHBondContact O-CB 3.42Å; G166-T169 PolarHBondContact O-N 3.24Å; G166-T169 PolarHBondContact O-OG1 3.18Å
167L49.7Very low65.5Low142 Ų14286.7 Ų86.774%0.74347%0.466SS*.G310 helixtrans-68.4-25.7-175.4-86.4149.7000114.8R165 T169 L170R165-L167 PolarHBondContact O-N 3.24Å; L167-T169 PolarHBondContact O-N 3.26Å; L167-L170 HydrophobicContact CD2-CD1 4.38Å; L167-L170 PolarHBondContact O-N 3.4Å
168D51.5Low63.7Low99 Ų9984.6 Ų84.653%0.52946%0.46SS..G310 helixtrans-62.8-24.6176.9-74.5-22.6000111.5R165 G166 L170 A171R165-D168 PolarHBondContact O-N 2.82Å; G166-D168 PolarHBondContact O-N 2.97Å; D168-L170 PolarHBondContact O-N 3.13Å; D168-A171 PolarHBondContact O-N 3.31Å
169T50.9Low61.9Low100 Ų10091.2 Ų91.261%0.61349%0.485SS*.G310 helixtrans-66.5-23.2174.6-37.10000112.7G166 L167G166-T169 WeakPolarHBondContact O-CB 3.42Å; G166-T169 PolarHBondContact O-N 3.24Å; G166-T169 PolarHBondContact O-OG1 3.18Å; L167-T169 PolarHBondContact O-N 3.26Å
170L50.5Low60.2Low144 Ų14494.9 Ų94.975%0.75452%0.515SS*.G310 helixtrans-91.8-13.2-177.4-64178.2000113.5L167 D168L167-L170 HydrophobicContact CD2-CD1 4.38Å; L167-L170 PolarHBondContact O-N 3.4Å; D168-L170 PolarHBondContact O-N 3.13Å
171A49Very low58.6Low41 Ų41103.1 Ų103.134%0.33955%0.551SS.*  trans-161.969-167.100000113.3D168 F173D168-A171 PolarHBondContact O-N 3.31Å; A171-F173 HydrophobicContact CB-CD2 3.55Å; A171-F173 HydrophobicContact CB-CE2 3.5Å; A171-F173 VanDerWaalsContact CB-CE2 3.5Å; A171-F173 PolarHBondContact O-N 3.03Å
172P51.2Low56.8Low105 Ų105107.5 Ų107.568%0.68257%0.57SS**  trans-73.956.7174.432.9-35000111.4V174P172-V174 PolarHBondContact O-N 2.85Å; P172-V174 VanDerWaalsContact O-N 3.08Å
173F54.3Low55.5Low131 Ų131110 Ų11058%0.57559%0.585SS**THydrogen-bonded Turntrans-85.343.4-179.9-60.2-67000112.8A171A171-F173 HydrophobicContact CB-CD2 3.55Å; A171-F173 HydrophobicContact CB-CE2 3.5Å; A171-F173 VanDerWaalsContact CB-CE2 3.5Å; A171-F173 PolarHBondContact O-N 3.03Å
174V54.9Low55.2Low74 Ų74114.6 Ų114.645%0.44861%0.61SS.*THydrogen-bonded Turntrans-97.3-9.3178.4-155.90000112.3P172P172-V174 PolarHBondContact O-N 2.85Å; P172-V174 VanDerWaalsContact O-N 3.08Å
175S57.9Low55.5Low61 Ų61123.5 Ų123.543%0.42763%0.628SS.*SBendtrans-63.9151.2174.170.30000111.2E177 G178 R179S175-E177 PolarHBondContact O-N 2.98Å; S175-E177 VanDerWaalsContact O-N 3.13Å; S175-G178 PolarHBondContact O-N 3.19Å; S175-G178 PolarHBondContact OG-N 3.34Å; S175-R179 PolarHBondContact O-N 3.38Å
176R57.4Low55.7Low216 Ų216121.9 Ų121.982%0.81563%0.63SS**THydrogen-bonded Turntrans-50.4-37.7174.9-99.3-179.468.1-157.71.2112
177E56.7Low55.8Low155 Ų155125.2 Ų125.272%0.72463%0.63SS**THydrogen-bonded Turntrans-66.6-40.6177.9-67.1163.7172.400112.2S175 R179 A180S175-E177 PolarHBondContact O-N 2.98Å; S175-E177 VanDerWaalsContact O-N 3.13Å; E177-R179 VanDerWaalsContact C-N 3.28Å; E177-R179 PolarHBondContact O-N 3.48Å; E177-A180 WeakPolarHBondContact O-CB 3.41Å; E177-A180 PolarHBondContact O-N 2.78Å
178G57Low56.1Low7 Ų7124.2 Ų124.27%0.07262%0.624CS.*G310 helixtrans-62.6-31.9179.500000113.7S175 A180 F181S175-G178 PolarHBondContact O-N 3.19Å; S175-G178 PolarHBondContact OG-N 3.34Å; G178-A180 PolarHBondContact O-N 3.2Å; G178-F181 PolarHBondContact O-N 3.45Å
179R57.8Low56.4Low140 Ų140125.7 Ų125.753%0.52863%0.63SS.*G310 helixtrans-63.1-27.4178.9-67.3-174.9-1791782.5113.3S175 E177 F181 M182S175-R179 PolarHBondContact O-N 3.38Å; E177-R179 VanDerWaalsContact C-N 3.28Å; E177-R179 PolarHBondContact O-N 3.48Å; R179-F181 PolarHBondContact O-N 3.15Å; R179-F181 VanDerWaalsContact O-N 3.15Å; R179-M182 HydrophobicContact CG-SD 4.47Å; R179-M182 PolarHBondContact O-N 2.98Å
180A61.2Low56.8Low76 Ų76127.3 Ų127.363%0.62863%0.631SS**G310 helixtrans-61.1-24.117900000112.7E177 G178E177-A180 WeakPolarHBondContact O-CB 3.41Å; E177-A180 PolarHBondContact O-N 2.78Å; G178-A180 PolarHBondContact O-N 3.2Å
181F61Low57.2Low177 Ų177126.2 Ų126.278%0.77662%0.623SS**G310 helixtrans-100.22.3-177.4-54.6-77.8000113.7G178 R179 T183G178-F181 PolarHBondContact O-N 3.45Å; R179-F181 PolarHBondContact O-N 3.15Å; R179-F181 VanDerWaalsContact O-N 3.15Å; F181-T183 VanDerWaalsContact C-N 3.32Å; F181-T183 PolarHBondContact O-N 3.46Å
182M55.1Low57.7Low133 Ų133132.3 Ų132.366%0.65564%0.643SS**  trans-81.1-6.4-178.1-73.7-173.369.300114.6R179 I184R179-M182 HydrophobicContact CG-SD 4.47Å; R179-M182 PolarHBondContact O-N 2.98Å; M182-I184 PolarHBondContact O-N 3.08Å; M182-I184 VanDerWaalsContact O-N 3.08Å
183T61.7Low58.3Low114 Ų114134.4 Ų134.470%0.69964%0.64SS**  trans-78.994.8176-52.10000109.5F181 R185F181-T183 VanDerWaalsContact C-N 3.32Å; F181-T183 PolarHBondContact O-N 3.46Å; T183-R185 PolarHBondContact O-N 3.39Å
184I64.4Low58.6Low164 Ų164134.7 Ų134.784%0.84165%0.645SS**  trans-74.1116.5161.6-55.5177.7000106.2M182M182-I184 PolarHBondContact O-N 3.08Å; M182-I184 VanDerWaalsContact O-N 3.08Å
185R58Low58.9Low299 Ų299140.2 Ų140.2100%1.12866%0.663SS**  trans-78.30170.1-74.1-172.4-179.9-176.50.9110.6T183T183-R185 PolarHBondContact O-N 3.39Å

Retrieved 185 of 185 residues in 203.7 ms (Link to these results)

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