G4VAJ9_SCHMA Loading...

40S ribosomal protein S12

AlphaFold DB , UniProt , Accession G4VAJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 131 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
1M35.5Very low69.6Low245 Ų24596.4 Ų96.4100%1.20753%0.532SS*.  082.40-72.4170.1176.200107.2A3M1-A3 VanDerWaalsContact C-N 3.26Å; M1-A3 PolarHBondContact O-N 3Å
2L43.9Very low71.5Confident157 Ų15788.3 Ų88.382%0.82249%0.487SS*.  trans-75.891172.6-86.4140.8000105.9T4L2-T4 HydrophobicContact CB-CG2 4.08Å; L2-T4 HydrophobicContact CD2-CG2 4.3Å; L2-T4 PolarHBondContact O-N 3.1Å
3A49.8Very low73Confident94 Ų9486.2 Ų86.278%0.77747%0.472SS*.  trans-63.380.2143.800000104M1 E5M1-A3 VanDerWaalsContact C-N 3.26Å; M1-A3 PolarHBondContact O-N 3Å; A3-E5 PolarHBondContact O-N 2.65Å
4T56.2Low74.3Confident98 Ų9884.6 Ų84.660%0.60146%0.459SS*.  trans-51.4113.8171.637.50000104.3L2 M6L2-T4 HydrophobicContact CB-CG2 4.08Å; L2-T4 HydrophobicContact CD2-CG2 4.3Å; L2-T4 PolarHBondContact O-N 3.1Å; T4-M6 PolarHBondContact O-N 3.41Å
5E64.9Low75.4Confident187 Ų18778.9 Ų78.987%0.87443%0.429SS*.  trans-38.6112.3171.6-66.3174.4109.100106.3A3 D7A3-E5 PolarHBondContact O-N 2.65Å; E5-D7 PolarHBondContact O-N 3.08Å
6M70.8Confident76.5Confident54 Ų5474 Ų7427%0.26640%0.402SS..  trans-62110.8-171-177.470.368.900106.8T4 A11 Y117T4-M6 PolarHBondContact O-N 3.41Å; M6-A11 HydrophobicContact CG-CB 3.88Å; M6-A11 HydrophobicContact SD-CB 4.44Å; M6-Y117 HydrophobicContact CB-CD2 3.99Å; M6-Y117 HydrophobicContact CB-CE2 4.43Å; M6-Y117 HydrophobicContact CB-CG 4.19Å; M6-Y117 HydrophobicContact CG-CD1 4.39Å; M6-Y117 HydrophobicContact CG-CD2 4.36Å; M6-Y117 HydrophobicContact CG-CG 4.04Å; M6-Y117 VanDerWaalsContact O-CE2 3.24Å; M6-Y117 WeakPolarHBondContact O-CE2 3.48Å; M6-Y117 PolarHBondContact O-OH 3Å
7D87.6Confident77.4Confident89 Ų8975.1 Ų75.148%0.47640%0.402SS..  trans-73.2151.2178.4-172.973.7000109.9E5 D9 S10 A11E5-D7 PolarHBondContact O-N 3.08Å; D7-D9 VanDerWaalsContact C-N 3.26Å; D7-D9 PolarHBondContact O-N 3.11Å; D7-D9 WeakPolarHBondContact OD2-CB 2.89Å; D7-D9 PolarHBondContact OD2-N 3.17Å; D7-S10 PolarHBondContact O-N 2.87Å; D7-S10 VanDerWaalsContact O-N 3.16Å; D7-A11 WeakPolarHBondContact O-CB 3.25Å; D7-A11 PolarHBondContact O-N 3.35Å
8L86.8Confident78.2Confident34 Ų3471.8 Ų71.818%0.17838%0.384CS..Hα-helixtrans-56.3-43178-17866000111.2S10 A11 V12 Y117 L118 F122L8-S10 VanDerWaalsContact C-N 3.32Å; L8-S10 PolarHBondContact O-N 3.2Å; L8-A11 PolarHBondContact O-N 3.3Å; L8-V12 HydrophobicContact CD1-CG2 4.23Å; L8-V12 HydrophobicContact CG-CG2 4.43Å; L8-V12 WeakPolarHBondContact O-CB 3.41Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 3.33Å; L8-Y117 HydrophobicContact CD1-CE1 4.38Å; L8-L118 HydrophobicContact CD1-CD2 3.66Å; L8-F122 HydrophobicContact CD1-CE2 3.96Å; L8-F122 HydrophobicContact CD1-CZ 4.35Å
9D90Very high78.9Confident39 Ų3968.1 Ų68.121%0.20936%0.364CS..Hα-helixtrans-64.1-40.4-179.5-76.13.4000110.7D7 Q13 K78 W82D7-D9 VanDerWaalsContact C-N 3.26Å; D7-D9 PolarHBondContact O-N 3.11Å; D7-D9 WeakPolarHBondContact OD2-CB 2.89Å; D7-D9 PolarHBondContact OD2-N 3.17Å; D9-Q13 VanDerWaalsContact O-CB 3.27Å; D9-Q13 WeakPolarHBondContact O-CB 3.4Å; D9-Q13 PolarHBondContact O-N 3.24Å; D9-K78 IonicContact OD2-NZ 3.16Å; D9-K78 PolarHBondContact OD2-NZ 3.48Å; D9-W82 HydrophobicContact CB-CH2 3.64Å; D9-W82 HydrophobicContact CB-CZ2 4.02Å
10S89.9Confident79.5Confident63 Ų6366.5 Ų66.544%0.44136%0.361SS..Hα-helixtrans-69-41.7179.2-63.70000111.9D7 L8 Q13 Q14D7-S10 PolarHBondContact O-N 2.87Å; D7-S10 VanDerWaalsContact O-N 3.16Å; L8-S10 VanDerWaalsContact C-N 3.32Å; L8-S10 PolarHBondContact O-N 3.2Å; S10-Q13 PolarHBondContact O-N 3.45Å; S10-Q14 PolarHBondContact O-N 3.4Å
11A90.6Very high80.1Confident0 Ų070.5 Ų70.50%038%0.375CS..Hα-helixtrans-62.5-48.8176.700000111.7M6 D7 L8 Q13 Q14 V15 Y117 L118M6-A11 HydrophobicContact CG-CB 3.88Å; M6-A11 HydrophobicContact SD-CB 4.44Å; D7-A11 WeakPolarHBondContact O-CB 3.25Å; D7-A11 PolarHBondContact O-N 3.35Å; L8-A11 PolarHBondContact O-N 3.3Å; A11-Q13 PolarHBondContact O-N 2.85Å; A11-Q14 PolarHBondContact O-N 3.15Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.01Å; A11-V15 VanDerWaalsContact O-N 3.09Å; A11-Y117 HydrophobicContact CB-CD1 3.63Å; A11-Y117 HydrophobicContact CB-CE1 4.32Å; A11-Y117 HydrophobicContact CB-CG 4.35Å; A11-L118 HydrophobicContact CB-CD2 4.37Å; A11-L118 HydrophobicContact CB-CG 4.23Å
12V91.7Very high82.7Confident0 Ų061.2 Ų61.20%033%0.334CS..Hα-helixtrans-62.2-44178.4173.70000110.8L8 Q14 V15 L16 F45 V71 V73 W82 L118L8-V12 HydrophobicContact CD1-CG2 4.23Å; L8-V12 HydrophobicContact CG-CG2 4.43Å; L8-V12 WeakPolarHBondContact O-CB 3.41Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 3.33Å; V12-Q14 VanDerWaalsContact C-N 3.31Å; V12-Q14 PolarHBondContact O-N 3.21Å; V12-V15 PolarHBondContact O-N 3.24Å; V12-L16 HydrophobicContact CG1-CD1 3.73Å; V12-L16 HydrophobicContact CG1-CG 4.28Å; V12-L16 WeakPolarHBondContact O-CB 3.41Å; V12-L16 WeakPolarHBondContact O-CG 3.25Å; V12-L16 PolarHBondContact O-N 3.42Å; V12-F45 HydrophobicContact CB-CE1 4.32Å; V12-F45 HydrophobicContact CG1-CD1 3.97Å; V12-F45 HydrophobicContact CG1-CE1 3.76Å; V12-F45 HydrophobicContact CG1-CZ 4.17Å; V12-F45 HydrophobicContact CG2-CD1 4.4Å; V12-F45 HydrophobicContact CG2-CE1 3.81Å; V12-V71 HydrophobicContact CG2-CG1 4.39Å; V12-V73 HydrophobicContact CG1-CG2 4.22Å; V12-V73 HydrophobicContact CG2-CG2 4.45Å; V12-W82 HydrophobicContact CB-CE3 4.48Å; V12-W82 HydrophobicContact CB-CZ3 4.28Å; V12-W82 HydrophobicContact CG1-CE3 3.91Å; V12-W82 HydrophobicContact CG1-CZ3 3.99Å; V12-L118 HydrophobicContact CG2-CD1 4.25Å; V12-L118 HydrophobicContact CG2-CD2 4.15Å
13Q91.2Very high84.8Confident61 Ų6164.5 Ų64.529%0.28534%0.335SS..Hα-helixtrans-58.8-43177-177.6-175.495.500111.8D9 S10 A11 K17 W82D9-Q13 VanDerWaalsContact O-CB 3.27Å; D9-Q13 WeakPolarHBondContact O-CB 3.4Å; D9-Q13 PolarHBondContact O-N 3.24Å; S10-Q13 PolarHBondContact O-N 3.45Å; A11-Q13 PolarHBondContact O-N 2.85Å; Q13-K17 HydrophobicContact CG-CD 3.93Å; Q13-K17 HydrophobicContact CG-CG 4.42Å; Q13-K17 WeakPolarHBondContact O-CB 3.47Å; Q13-K17 VanDerWaalsContact O-CG 3.27Å; Q13-K17 WeakPolarHBondContact O-CG 3.43Å; Q13-K17 PolarHBondContact O-N 3.32Å; Q13-W82 HydrophobicContact CB-CB 4.5Å; Q13-W82 HydrophobicContact CB-CD2 3.96Å; Q13-W82 HydrophobicContact CB-CG 3.94Å; Q13-W82 HydrophobicContact CG-CB 4.26Å; Q13-W82 HydrophobicContact CG-CD2 4.33Å; Q13-W82 HydrophobicContact CG-CG 3.81Å
14Q91.1Very high86.8Confident63 Ų6360.1 Ų60.129%0.29430%0.299SS..Hα-helixtrans-65.3-45.3-179.5-167.3173.817.200111.7S10 A11 V12 K17 N18 G114S10-Q14 PolarHBondContact O-N 3.4Å; A11-Q14 PolarHBondContact O-N 3.15Å; V12-Q14 VanDerWaalsContact C-N 3.31Å; V12-Q14 PolarHBondContact O-N 3.21Å; Q14-K17 PolarHBondContact O-N 3.13Å; Q14-N18 PolarHBondContact O-N 3.43Å; Q14-G114 VanDerWaalsContact OE1-N 3.15Å
15V91.5Very high88.5Confident0 Ų055.9 Ų55.90%027%0.273CS..Hα-helixtrans-62.3-46.8178172.50000111.2A11 V12 K17 N18 A19 L43 F45 I108 L115 L118A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.01Å; A11-V15 VanDerWaalsContact O-N 3.09Å; V12-V15 PolarHBondContact O-N 3.24Å; V15-K17 PolarHBondContact O-N 2.85Å; V15-N18 PolarHBondContact O-N 3.32Å; V15-A19 VanDerWaalsContact O-CB 3.3Å; V15-A19 WeakPolarHBondContact O-CB 3.42Å; V15-A19 PolarHBondContact O-N 2.78Å; V15-L43 HydrophobicContact CG1-CD2 4.44Å; V15-F45 HydrophobicContact CG1-CE2 4.44Å; V15-F45 HydrophobicContact CG1-CZ 4.24Å; V15-I108 HydrophobicContact CG1-CG2 4.45Å; V15-L115 HydrophobicContact CG2-CB 3.95Å; V15-L115 HydrophobicContact CG2-CD1 4.31Å; V15-L118 HydrophobicContact CB-CD1 4.48Å; V15-L118 HydrophobicContact CG2-CD1 4Å
16L92.6Very high89.9Confident0 Ų048.3 Ų48.30%024%0.24CC..Hα-helixtrans-64.7-39.7178.9-72.8174.7000112.6V12 A20 I25 F45 L79 W82 I103 V105V12-L16 HydrophobicContact CG1-CD1 3.73Å; V12-L16 HydrophobicContact CG1-CG 4.28Å; V12-L16 WeakPolarHBondContact O-CB 3.41Å; V12-L16 WeakPolarHBondContact O-CG 3.25Å; V12-L16 PolarHBondContact O-N 3.42Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.08Å; L16-I25 HydrophobicContact CD2-CG2 4.47Å; L16-F45 HydrophobicContact CD2-CD2 3.67Å; L16-F45 HydrophobicContact CD2-CE2 3.63Å; L16-F45 HydrophobicContact CG-CD2 4.3Å; L16-F45 HydrophobicContact CG-CE2 4.03Å; L16-L79 HydrophobicContact CD1-CD1 3.56Å; L16-W82 HydrophobicContact CB-CB 4.41Å; L16-W82 HydrophobicContact CD1-CB 3.91Å; L16-W82 HydrophobicContact CD1-CE3 4.43Å; L16-I103 HydrophobicContact CD2-CG2 3.9Å; L16-V105 HydrophobicContact CD2-CG2 4.27Å
17K91.5Very high90.7Very high93 Ų9350.7 Ų50.740%0.40425%0.246SC..Hα-helixtrans-64.4-40.8176.1-77.9176177.4173.60111.8Q13 Q14 V15 K21Q13-K17 HydrophobicContact CG-CD 3.93Å; Q13-K17 HydrophobicContact CG-CG 4.42Å; Q13-K17 WeakPolarHBondContact O-CB 3.47Å; Q13-K17 VanDerWaalsContact O-CG 3.27Å; Q13-K17 WeakPolarHBondContact O-CG 3.43Å; Q13-K17 PolarHBondContact O-N 3.32Å; Q14-K17 PolarHBondContact O-N 3.13Å; V15-K17 PolarHBondContact O-N 2.85Å; K17-K21 WeakPolarHBondContact O-CG 3.23Å; K17-K21 PolarHBondContact O-N 3.48Å
18N91.5Very high90.7Very high16 Ų1648.2 Ų48.29%0.08624%0.241CC..Hα-helixtrans-67.9-48.3177.6-761.2000111.5Q14 V15 A20 K21 C22 I108 E110Q14-N18 PolarHBondContact O-N 3.43Å; V15-N18 PolarHBondContact O-N 3.32Å; N18-A20 VanDerWaalsContact C-N 3.26Å; N18-A20 PolarHBondContact O-N 3.29Å; N18-K21 WeakPolarHBondContact O-CB 3.46Å; N18-K21 PolarHBondContact O-N 2.91Å; N18-K21 VanDerWaalsContact O-N 3.08Å; N18-C22 PolarHBondContact O-N 3.47Å; N18-I108 CarbonylContact C-O 3.5Å; N18-E110 PolarHBondContact ND2-O 3.47Å
19A92.2Very high90.8Very high0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-61.5-35.1176.200000112.2V15 K21 C22 R23 G24 I25 V105 D107 I108V15-A19 VanDerWaalsContact O-CB 3.3Å; V15-A19 WeakPolarHBondContact O-CB 3.42Å; V15-A19 PolarHBondContact O-N 2.78Å; A19-K21 VanDerWaalsContact C-N 3.32Å; A19-K21 PolarHBondContact O-N 3.3Å; A19-C22 PolarHBondContact O-N 2.81Å; A19-C22 PolarHBondContact O-SG 3.43Å; A19-R23 PolarHBondContact O-N 2.9Å; A19-G24 PolarHBondContact O-N 3.19Å; A19-I25 HydrophobicContact CB-CG2 3.33Å; A19-V105 HydrophobicContact CB-CG1 3.8Å; A19-V105 HydrophobicContact CB-CG2 4.46Å; A19-D107 WeakPolarHBondContact CA-O 3.17Å; A19-D107 VanDerWaalsContact CB-O 3.25Å; A19-D107 WeakPolarHBondContact CB-O 3.38Å; A19-I108 PolarHBondContact N-O 2.84Å
20A90.8Very high90.8Very high36 Ų3653.2 Ų53.230%0.29827%0.268SS..Hα-helixtrans-63.5-36.117500000112.8L16 N18 R23 I25L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.08Å; N18-A20 VanDerWaalsContact C-N 3.26Å; N18-A20 PolarHBondContact O-N 3.29Å; A20-R23 PolarHBondContact O-N 3.05Å; A20-I25 HydrophobicContact CB-CD1 3.7Å; A20-I25 HydrophobicContact CB-CG1 4.35Å
21K91Very high90.8Very high152 Ų15255.6 Ų55.666%0.66127%0.272SS*.Hα-helixtrans-65.4-38.2179.8-70.2168.2-175.5171.80112.2K17 N18 A19 R23K17-K21 WeakPolarHBondContact O-CG 3.23Å; K17-K21 PolarHBondContact O-N 3.48Å; N18-K21 WeakPolarHBondContact O-CB 3.46Å; N18-K21 PolarHBondContact O-N 2.91Å; N18-K21 VanDerWaalsContact O-N 3.08Å; A19-K21 VanDerWaalsContact C-N 3.32Å; A19-K21 PolarHBondContact O-N 3.3Å; K21-R23 VanDerWaalsContact C-N 3.29Å
22C90.3Very high90.9Very high50 Ų5055.6 Ų55.634%0.33827%0.272SS..THydrogen-bonded Turntrans-86.76.3177.361.80000113.8N18 A19 G24 D107 G109N18-C22 PolarHBondContact O-N 3.47Å; A19-C22 PolarHBondContact O-N 2.81Å; A19-C22 PolarHBondContact O-SG 3.43Å; C22-G24 PolarHBondContact O-N 3.41Å; C22-D107 PolarHBondContact SG-O 3.2Å; C22-G109 VanDerWaalsContact SG-CA 3.57Å
23R88.7Confident90.9Very high225 Ų22556.6 Ų56.685%0.84928%0.278SS*.THydrogen-bonded Turntrans58.626.6-172.4-54.8178173.5170.9-1.8113.2A19 A20 K21 I25A19-R23 PolarHBondContact O-N 2.9Å; A20-R23 PolarHBondContact O-N 3.05Å; K21-R23 VanDerWaalsContact C-N 3.29Å; R23-I25 VanDerWaalsContact C-N 3.29Å; R23-I25 PolarHBondContact O-N 3.22Å
24G91.2Very high91Very high2 Ų259.6 Ų59.62%0.02129%0.29CS..  trans-88.621.5179.300000114.5A19 C22 V105 T106 D107A19-G24 PolarHBondContact O-N 3.19Å; C22-G24 PolarHBondContact O-N 3.41Å; G24-V105 CarbonylContact O-C 3.58Å; G24-V105 VanDerWaalsContact O-CA 3.29Å; G24-V105 WeakPolarHBondContact O-CA 3.31Å; G24-T106 WeakPolarHBondContact CA-OG1 3.3Å; G24-T106 PolarHBondContact O-N 3.31Å; G24-T106 PolarHBondContact O-OG1 2.84Å; G24-D107 WeakPolarHBondContact CA-O 3.21Å; G24-D107 PolarHBondContact O-N 3.43Å
25I93.3Very high91Very high10 Ų1058 Ų585%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-123.5140.5175.264.6173.1000111.2L16 A19 A20 R23 I103 V104 V105L16-I25 HydrophobicContact CD2-CG2 4.47Å; A19-I25 HydrophobicContact CB-CG2 3.33Å; A20-I25 HydrophobicContact CB-CD1 3.7Å; A20-I25 HydrophobicContact CB-CG1 4.35Å; R23-I25 VanDerWaalsContact C-N 3.29Å; R23-I25 PolarHBondContact O-N 3.22Å; I25-I103 HydrophobicContact CB-CG2 4.39Å; I25-V104 WeakPolarHBondContact CA-O 3.25Å; I25-V105 HydrophobicContact CG2-CG2 4.22Å
26C93Very high91.1Very high27 Ų2758 Ų5818%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-120.9143.7169.4-62.20000109.9E31 L35 V104C26-E31 HydrophobicContact CB-CB 4.48Å; C26-L35 HydrophobicContact CB-CD1 3.39Å; C26-L35 WeakPolarHBondContact SG-CD1 3.48Å; C26-V104 HydrophobicContact CB-CG2 3.66Å; C26-V104 PolarHBondContact N-O 3.29Å; C26-V104 PolarHBondContact O-N 2.92Å; C26-V104 VanDerWaalsContact O-N 3.12Å
27R88.7Confident91Very high105 Ų10563.9 Ų63.940%0.39631%0.311SS..EExtended strand (participates in β ladder)trans-125.2134.2-172-51.988.8144.1-159.6-4.1109.1S83 L85R27-S83 PolarHBondContact NH2-O 3.16Å; R27-L85 HydrophobicContact CB-CD1 4.33Å; R27-L85 HydrophobicContact CG-CD1 4.3Å
28G87.9Confident91Very high36 Ų3665.3 Ų65.337%0.37132%0.319SS..SBendtrans102.9150.4174.800000113.1N30 E31 C32G28-N30 PolarHBondContact O-N 3.04Å; G28-E31 PolarHBondContact O-N 2.96Å; G28-C32 WeakPolarHBondContact O-CB 3.4Å; G28-C32 PolarHBondContact O-N 3.38Å; G28-C32 PolarHBondContact O-SG 2.99Å
29L87.3Confident90.7Very high49 Ų4973.5 Ų73.526%0.25735%0.349SS..Hα-helixtrans-60.3-51.9-165.5-172146.6000112.8E31 C32 T33 Y55L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.94Å; L29-C32 PolarHBondContact O-N 3.05Å; L29-T33 HydrophobicContact CD2-CG2 3.98Å; L29-T33 HydrophobicContact CG-CG2 4.31Å; L29-T33 VanDerWaalsContact O-CG2 3.31Å; L29-T33 WeakPolarHBondContact O-CG2 3.4Å; L29-T33 PolarHBondContact O-N 3.47Å; L29-T33 PolarHBondContact O-OG1 3.29Å; L29-T33 VanDerWaalsContact O-OG1 3.14Å; L29-Y55 HydrophobicContact CD1-CD1 3.18Å; L29-Y55 HydrophobicContact CD1-CD2 4.33Å; L29-Y55 HydrophobicContact CD1-CE1 3.62Å; L29-Y55 HydrophobicContact CD1-CG 3.6Å
30N90.6Very high90.3Very high129 Ų12975.3 Ų75.369%0.6937%0.367SS*.Hα-helixtrans-63.9-36.4-175.8-70.2-1000113.4G28 T33 K34G28-N30 PolarHBondContact O-N 3.04Å; N30-T33 PolarHBondContact O-OG1 2.88Å; N30-T33 VanDerWaalsContact O-OG1 3.1Å; N30-K34 WeakPolarHBondContact O-CB 3.29Å; N30-K34 PolarHBondContact O-N 2.91Å
31E90.7Very high90.3Very high113 Ų11374.2 Ų74.253%0.52836%0.357SS..Hα-helixtrans-73.1-42.3176.4-68.6-175177.600110.9C26 G28 L29 K34 L35C26-E31 HydrophobicContact CB-CB 4.48Å; G28-E31 PolarHBondContact O-N 2.96Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.94Å; E31-K34 PolarHBondContact O-N 3.31Å; E31-L35 WeakPolarHBondContact O-CG 3.44Å; E31-L35 PolarHBondContact O-N 3.49Å
32C92Very high90.2Very high0 Ų069.4 Ų69.40%034%0.34CS..Hα-helixtrans-60.2-49.3176.5-68.70000111.6G28 L29 K34 L35 I36 V104G28-C32 WeakPolarHBondContact O-CB 3.4Å; G28-C32 PolarHBondContact O-N 3.38Å; G28-C32 PolarHBondContact O-SG 2.99Å; L29-C32 PolarHBondContact O-N 3.05Å; C32-K34 VanDerWaalsContact C-N 3.35Å; C32-K34 PolarHBondContact O-N 3.37Å; C32-L35 PolarHBondContact O-N 3.44Å; C32-I36 WeakPolarHBondContact O-CB 3.35Å; C32-I36 WeakPolarHBondContact O-CD1 3.4Å; C32-I36 WeakPolarHBondContact O-CG1 3.23Å; C32-I36 PolarHBondContact O-N 2.85Å; C32-V104 HydrophobicContact CB-CG1 3.7Å; C32-V104 HydrophobicContact CB-CG2 4.23Å
33T91.8Very high90.3Very high22 Ų2267 Ų6714%0.13532%0.324CS..Hα-helixtrans-61-44.6-179.954.40000111.4L29 N30 L35 I36 E37 L58 I59 L62L29-T33 HydrophobicContact CD2-CG2 3.98Å; L29-T33 HydrophobicContact CG-CG2 4.31Å; L29-T33 VanDerWaalsContact O-CG2 3.31Å; L29-T33 WeakPolarHBondContact O-CG2 3.4Å; L29-T33 PolarHBondContact O-N 3.47Å; L29-T33 PolarHBondContact O-OG1 3.29Å; L29-T33 VanDerWaalsContact O-OG1 3.14Å; N30-T33 PolarHBondContact O-OG1 2.88Å; N30-T33 VanDerWaalsContact O-OG1 3.1Å; T33-L35 VanDerWaalsContact C-N 3.34Å; T33-L35 PolarHBondContact O-N 3.02Å; T33-I36 PolarHBondContact O-N 3.13Å; T33-E37 WeakPolarHBondContact O-CG 3.33Å; T33-E37 PolarHBondContact O-N 3.03Å; T33-L58 HydrophobicContact CG2-CD2 3.43Å; T33-L58 VanDerWaalsContact CG2-CD2 3.43Å; T33-I59 HydrophobicContact CG2-CD1 3.88Å; T33-L62 HydrophobicContact CG2-CD1 3.78Å
34K93Very high90.5Very high123 Ų12356.3 Ų56.354%0.53528%0.284SS..Hα-helixtrans-59.5-42.2177.3-175.9178.4179.2-178.10112.6N30 E31 C32 Q38N30-K34 WeakPolarHBondContact O-CB 3.29Å; N30-K34 PolarHBondContact O-N 2.91Å; E31-K34 PolarHBondContact O-N 3.31Å; C32-K34 VanDerWaalsContact C-N 3.35Å; C32-K34 PolarHBondContact O-N 3.37Å; K34-Q38 WeakPolarHBondContact O-CB 3.46Å; K34-Q38 VanDerWaalsContact O-CG 3.25Å; K34-Q38 WeakPolarHBondContact O-CG 3.33Å; K34-Q38 PolarHBondContact O-N 2.84Å
35L92.2Very high90.6Very high31 Ų3156.2 Ų56.216%0.16228%0.283CS..Hα-helixtrans-73.5-35.8-179.8-73.6165.9000112.7C26 E31 C32 T33 E37 Q38 R39 G40 V41 V104 T106C26-L35 HydrophobicContact CB-CD1 3.39Å; C26-L35 WeakPolarHBondContact SG-CD1 3.48Å; E31-L35 WeakPolarHBondContact O-CG 3.44Å; E31-L35 PolarHBondContact O-N 3.49Å; C32-L35 PolarHBondContact O-N 3.44Å; T33-L35 VanDerWaalsContact C-N 3.34Å; T33-L35 PolarHBondContact O-N 3.02Å; L35-E37 VanDerWaalsContact C-N 3.35Å; L35-Q38 PolarHBondContact O-N 3.26Å; L35-R39 PolarHBondContact O-N 3.4Å; L35-G40 PolarHBondContact O-N 3.38Å; L35-V41 HydrophobicContact CB-CG2 3.68Å; L35-V104 HydrophobicContact CB-CG2 4.34Å; L35-V104 HydrophobicContact CD1-CG2 3.84Å; L35-T106 HydrophobicContact CD1-CG2 3.94Å; L35-T106 HydrophobicContact CD2-CG2 4.18Å
36I92.3Very high90.6Very high0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-60.3-47.5173.4-70.4164.1000109.6C32 T33 Q38 R39 V41 I59 L62 I68 V104C32-I36 WeakPolarHBondContact O-CB 3.35Å; C32-I36 WeakPolarHBondContact O-CD1 3.4Å; C32-I36 WeakPolarHBondContact O-CG1 3.23Å; C32-I36 PolarHBondContact O-N 2.85Å; T33-I36 PolarHBondContact O-N 3.13Å; I36-Q38 VanDerWaalsContact C-N 3.33Å; I36-Q38 PolarHBondContact O-N 3.42Å; I36-R39 PolarHBondContact O-N 3.02Å; I36-V41 HydrophobicContact CG1-CG2 4.06Å; I36-I59 HydrophobicContact CD1-CD1 4.17Å; I36-L62 HydrophobicContact CG2-CB 3.66Å; I36-I68 HydrophobicContact CB-CD1 4.26Å; I36-I68 HydrophobicContact CG1-CD1 4.32Å; I36-I68 HydrophobicContact CG2-CD1 3.82Å; I36-V104 HydrophobicContact CD1-CG1 3.99Å; I36-V104 HydrophobicContact CG1-CG1 4.04Å
37E91.5Very high90.5Very high122 Ų12254.6 Ų54.657%0.5727%0.272SS*.Hα-helixtrans-61.1-39.2175.3-74.3177.6-17800112.7T33 L35 R39T33-E37 WeakPolarHBondContact O-CG 3.33Å; T33-E37 PolarHBondContact O-N 3.03Å; L35-E37 VanDerWaalsContact C-N 3.35Å; E37-R39 PolarHBondContact O-N 3.03Å
38Q91.3Very high90.6Very high123 Ų12355.3 Ų55.358%0.57528%0.28SS*.THydrogen-bonded Turntrans-71.5-2.9176.8-73.3179.6-7.600113.8K34 L35 I36 G40K34-Q38 WeakPolarHBondContact O-CB 3.46Å; K34-Q38 VanDerWaalsContact O-CG 3.25Å; K34-Q38 WeakPolarHBondContact O-CG 3.33Å; K34-Q38 PolarHBondContact O-N 2.84Å; L35-Q38 PolarHBondContact O-N 3.26Å; I36-Q38 VanDerWaalsContact C-N 3.33Å; I36-Q38 PolarHBondContact O-N 3.42Å; Q38-G40 PolarHBondContact O-N 3.26Å; Q38-G40 VanDerWaalsContact O-N 3.15Å
39R84.1Confident90.6Very high189 Ų18956.2 Ų56.271%0.71328%0.277SS*.THydrogen-bonded Turntrans55.725.8-176.3-55.4-179.8178.6-128.4-1.6113.4L35 I36 E37 V41L35-R39 PolarHBondContact O-N 3.4Å; I36-R39 PolarHBondContact O-N 3.02Å; E37-R39 PolarHBondContact O-N 3.03Å; R39-V41 VanDerWaalsContact C-N 3.34Å
40G83.8Confident90.3Very high37 Ų3754.8 Ų54.838%0.38127%0.27SS..  trans-92.710.818000000113.9L35 Q38 T106L35-G40 PolarHBondContact O-N 3.38Å; Q38-G40 PolarHBondContact O-N 3.26Å; Q38-G40 VanDerWaalsContact O-N 3.15Å; G40-T106 WeakPolarHBondContact O-CA 3.44Å; G40-T106 WeakPolarHBondContact O-CB 3.06Å; G40-T106 WeakPolarHBondContact O-CG2 3.14Å
41V90.9Very high89.9Confident14 Ų1456.5 Ų56.59%0.08528%0.28CS..  trans-106.5130.4-173179.20000110.2L35 I36 R39 L43 I68 V104L35-V41 HydrophobicContact CB-CG2 3.68Å; I36-V41 HydrophobicContact CG1-CG2 4.06Å; R39-V41 VanDerWaalsContact C-N 3.34Å; V41-L43 WeakPolarHBondContact CG1-O 3.44Å; V41-I68 HydrophobicContact CB-CD1 3.97Å; V41-I68 HydrophobicContact CB-CG2 4.29Å; V41-I68 HydrophobicContact CG1-CG2 3.74Å; V41-V104 HydrophobicContact CG1-CB 3.87Å; V41-V104 HydrophobicContact CG1-CG1 4.12Å; V41-V104 HydrophobicContact CG2-CB 3.96Å; V41-V104 HydrophobicContact CG2-CG1 4.23Å; V41-V104 HydrophobicContact CG2-CG2 4.29Å
42V90.4Very high89.7Confident50 Ų5055.3 Ų55.330%0.30327%0.274SS..SBendtrans-91.5-40.5176.9-177.70000110.9P69 V105 T106 I108 I126V42-P69 WeakPolarHBondContact O-CD 3.44Å; V42-P69 WeakPolarHBondContact O-CG 3.5Å; V42-V105 PolarHBondContact N-O 3.1Å; V42-T106 WeakPolarHBondContact CG2-O 3.26Å; V42-I108 HydrophobicContact CG1-CD1 3.64Å; V42-I108 HydrophobicContact CG1-CG1 4.28Å; V42-I126 HydrophobicContact CG1-CD1 3.84Å; V42-I126 HydrophobicContact CG1-CG1 3.84Å; V42-I126 HydrophobicContact CG1-CG2 4.19Å
43L91.3Very high89.5Confident0 Ų063.4 Ų63.40%031%0.309CS..EExtended strand (participates in β ladder)trans-148139.2-177.4-173.961000110.7V15 V41 F45 P69 V71 V105 L118 L124V15-L43 HydrophobicContact CG1-CD2 4.44Å; V41-L43 WeakPolarHBondContact CG1-O 3.44Å; L43-F45 HydrophobicContact CD2-CE1 4.01Å; L43-F45 HydrophobicContact CD2-CE2 3.78Å; L43-F45 HydrophobicContact CD2-CZ 3.34Å; L43-F45 HydrophobicContact CG-CE1 4.48Å; L43-F45 HydrophobicContact CG-CE2 4.13Å; L43-F45 HydrophobicContact CG-CZ 4.02Å; L43-P69 HydrophobicContact CD1-CB 3.98Å; L43-P69 HydrophobicContact CD1-CG 3.86Å; L43-V71 HydrophobicContact CD1-CG2 3.93Å; L43-V105 HydrophobicContact CB-CB 4.2Å; L43-V105 PolarHBondContact N-O 3.35Å; L43-V105 PolarHBondContact O-N 2.65Å; L43-L118 HydrophobicContact CD2-CD1 4.3Å; L43-L124 HydrophobicContact CD1-CD1 3.7Å; L43-L124 HydrophobicContact CD2-CD1 4.49Å
44C92.8Very high89.3Confident0 Ų065.2 Ų65.20%033%0.326CS..EExtended strand (participates in β ladder)trans-116.5135.8174.7-171.60000110.6I68 P69 L70 V71 C102 V104C44-I68 HydrophobicContact CB-CG2 4.16Å; C44-P69 PolarHBondContact N-O 2.88Å; C44-L70 HydrophobicContact CB-CD1 3.8Å; C44-L70 CarbonylContact O-C 3.53Å; C44-L70 WeakPolarHBondContact O-CA 3.48Å; C44-V71 PolarHBondContact O-N 3.45Å; C44-C102 VanDerWaalsContact SG-SG 3.67Å; C44-V104 HydrophobicContact CB-CG1 4.33Å
45F93.3Very high89.1Confident0 Ų064 Ų640%032%0.319CS..EExtended strand (participates in β ladder)trans-110.3130.3172.3-64.8-75.3000109.9V12 V15 L16 L43 V71 V73 L79 C102 I103 V105 L118V12-F45 HydrophobicContact CB-CE1 4.32Å; V12-F45 HydrophobicContact CG1-CD1 3.97Å; V12-F45 HydrophobicContact CG1-CE1 3.76Å; V12-F45 HydrophobicContact CG1-CZ 4.17Å; V12-F45 HydrophobicContact CG2-CD1 4.4Å; V12-F45 HydrophobicContact CG2-CE1 3.81Å; V15-F45 HydrophobicContact CG1-CE2 4.44Å; V15-F45 HydrophobicContact CG1-CZ 4.24Å; L16-F45 HydrophobicContact CD2-CD2 3.67Å; L16-F45 HydrophobicContact CD2-CE2 3.63Å; L16-F45 HydrophobicContact CG-CD2 4.3Å; L16-F45 HydrophobicContact CG-CE2 4.03Å; L43-F45 HydrophobicContact CD2-CE1 4.01Å; L43-F45 HydrophobicContact CD2-CE2 3.78Å; L43-F45 HydrophobicContact CD2-CZ 3.34Å; L43-F45 HydrophobicContact CG-CE1 4.48Å; L43-F45 HydrophobicContact CG-CE2 4.13Å; L43-F45 HydrophobicContact CG-CZ 4.02Å; F45-V71 WeakPolarHBondContact CA-O 3.27Å; F45-V71 HydrophobicContact CD1-CB 3.69Å; F45-V71 HydrophobicContact CD1-CG1 3.91Å; F45-V71 HydrophobicContact CE1-CB 3.79Å; F45-V71 HydrophobicContact CE1-CG1 3.91Å; F45-V71 HydrophobicContact CE1-CG2 4.27Å; F45-V73 HydrophobicContact CD1-CG2 4.23Å; F45-L79 HydrophobicContact CB-CD1 3.94Å; F45-L79 HydrophobicContact CB-CD2 4.22Å; F45-L79 HydrophobicContact CG-CD1 4.41Å; F45-C102 VanDerWaalsContact O-CA 3.31Å; F45-C102 WeakPolarHBondContact O-CA 3.46Å; F45-I103 HydrophobicContact CB-CB 4.41Å; F45-I103 PolarHBondContact N-O 2.89Å; F45-I103 PolarHBondContact O-N 3.09Å; F45-V105 HydrophobicContact CD2-CG2 4.1Å; F45-V105 HydrophobicContact CE2-CG2 3.7Å; F45-L118 HydrophobicContact CE1-CD1 4.16Å; F45-L118 HydrophobicContact CZ-CD1 4.12Å
46L92.8Very high88.9Confident4 Ų463.6 Ų63.62%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-123.7131.6177.9-179.569.1000110.2T56 I59 E60 L70 V71 K72 V73 C102L46-T56 HydrophobicContact CD1-CG2 4.29Å; L46-T56 HydrophobicContact CD2-CG2 4.37Å; L46-I59 HydrophobicContact CD1-CB 4.34Å; L46-I59 HydrophobicContact CD1-CG2 4.29Å; L46-E60 HydrophobicContact CD2-CG 3.78Å; L46-L70 HydrophobicContact CB-CD1 3.82Å; L46-L70 HydrophobicContact CB-CG 4.36Å; L46-L70 HydrophobicContact CD2-CD2 4.11Å; L46-V71 PolarHBondContact N-O 2.89Å; L46-K72 CarbonylContact O-C 3.52Å; L46-K72 VanDerWaalsContact O-CA 3.29Å; L46-K72 WeakPolarHBondContact O-CA 3.23Å; L46-V73 PolarHBondContact O-N 2.94Å; L46-C102 HydrophobicContact CD1-CB 4.44Å
47A92.4Very high88.9Confident0 Ų067.7 Ų67.70%034%0.343CS..EExtended strand (participates in β ladder)trans-82.9129.2174.200000111.2V73 N76 L79 S101A47-V73 CarbonylContact C-O 3.51Å; A47-V73 VanDerWaalsContact CA-O 3.26Å; A47-V73 WeakPolarHBondContact CA-O 3.41Å; A47-N76 HydrophobicContact CB-CB 3.55Å; A47-L79 HydrophobicContact CB-CD2 4.25Å; A47-S101 PolarHBondContact N-O 3.36Å
48E89.4Confident89Confident119 Ų11965.3 Ų65.356%0.55633%0.334SS*.THydrogen-bonded Turntrans-73-32.1-179.8-62.9-172.415800112.4C50 K72 V73E48-C50 PolarHBondContact O-N 3.48Å; E48-K72 HydrophobicContact CG-CB 3.83Å; E48-K72 HydrophobicContact CG-CD 4.29Å; E48-K72 HydrophobicContact CG-CG 4.45Å; E48-K72 VanDerWaalsContact OE1-CB 3.31Å; E48-K72 WeakPolarHBondContact OE1-CB 3.47Å; E48-V73 PolarHBondContact N-O 2.91Å
49N89.5Confident89Confident56 Ų5659.5 Ų59.530%0.29931%0.307SS..THydrogen-bonded Turntrans-76.120.1178.575.9-15.2000114.1N51 P74 N76N49-N51 PolarHBondContact O-N 2.93Å; N49-P74 VanDerWaalsContact CB-O 3.31Å; N49-P74 WeakPolarHBondContact CB-O 3.24Å; N49-P74 PolarHBondContact N-O 3.33Å; N49-N76 VanDerWaalsContact ND2-CG 3.35Å; N49-N76 PolarHBondContact ND2-N 3.44Å; N49-N76 PolarHBondContact ND2-OD1 2.96Å; N49-N76 WeakPolarHBondContact OD1-CB 3.31Å; N49-N76 PolarHBondContact OD1-N 2.98Å; N49-N76 PolarHBondContact OD1-ND2 2.84Å; N49-N76 PolarHBondContact OD1-OD1 3.33Å
50C80.9Confident89.4Confident18 Ų1853.6 Ų53.612%0.12229%0.287CS..  trans-70.4122174.9-161.60000109.9E48 E52 T56 S101E48-C50 PolarHBondContact O-N 3.48Å; C50-E52 PolarHBondContact O-N 3.45Å; C50-T56 HydrophobicContact CB-CG2 3.69Å; C50-S101 PolarHBondContact SG-OG 2.89Å
51N82.4Confident89.9Confident166 Ų16654 Ų5489%0.88829%0.287SS*.SBendtrans-64.5-30.2-177.2-66.2-15.4000112.9N49N49-N51 PolarHBondContact O-N 2.93Å
52E85.5Confident89.9Confident87 Ų8754.5 Ų54.541%0.40729%0.289SS..  trans-98.8103.8-174.8-176.7164.7178.100110.8C50 A54 Y55C50-E52 PolarHBondContact O-N 3.45Å; E52-A54 HydrophobicContact CG-CB 4.05Å; E52-A54 PolarHBondContact O-N 2.99Å; E52-Y55 HydrophobicContact CB-CD2 3.57Å; E52-Y55 HydrophobicContact CB-CE2 3.92Å; E52-Y55 HydrophobicContact CB-CG 4.09Å; E52-Y55 VanDerWaalsContact CD-CE2 3.46Å; E52-Y55 HydrophobicContact CG-CD1 4.28Å; E52-Y55 HydrophobicContact CG-CD2 3.84Å; E52-Y55 HydrophobicContact CG-CE1 4.45Å; E52-Y55 HydrophobicContact CG-CE2 4.04Å; E52-Y55 HydrophobicContact CG-CG 3.97Å; E52-Y55 WeakPolarHBondContact O-CB 3.49Å; E52-Y55 PolarHBondContact O-N 3.02Å; E52-Y55 WeakPolarHBondContact OE2-CE2 3.35Å; E52-Y55 PolarHBondContact OE2-OH 2.77Å
53K87Confident90Very high170 Ų17052.2 Ų52.274%0.73928%0.275SS*.Hα-helixtrans-59.7-30.8179.2-64.4-175.6179.4-177.40113Y55 T56 T57K53-Y55 PolarHBondContact O-N 3.34Å; K53-T56 PolarHBondContact O-N 2.79Å; K53-T56 PolarHBondContact O-OG1 3.08Å; K53-T57 WeakPolarHBondContact O-CB 3.39Å; K53-T57 PolarHBondContact O-N 3.4Å; K53-T57 PolarHBondContact O-OG1 3.49Å
54A89.2Confident90Very high60 Ų6059.9 Ų59.950%0.49631%0.311SS..Hα-helixtrans-58.9-36.2176.400000111.5E52 L58E52-A54 HydrophobicContact CG-CB 4.05Å; E52-A54 PolarHBondContact O-N 2.99Å; A54-L58 VanDerWaalsContact O-CB 3.25Å; A54-L58 WeakPolarHBondContact O-CB 3.27Å; A54-L58 PolarHBondContact O-N 2.84Å
55Y87.8Confident90Very high98 Ų9866.8 Ų66.838%0.38434%0.343SS..Hα-helixtrans-69.9-44.8177.4-65.2-24.5000112.9L29 E52 K53 L58 I59L29-Y55 HydrophobicContact CD1-CD1 3.18Å; L29-Y55 HydrophobicContact CD1-CD2 4.33Å; L29-Y55 HydrophobicContact CD1-CE1 3.62Å; L29-Y55 HydrophobicContact CD1-CG 3.6Å; E52-Y55 HydrophobicContact CB-CD2 3.57Å; E52-Y55 HydrophobicContact CB-CE2 3.92Å; E52-Y55 HydrophobicContact CB-CG 4.09Å; E52-Y55 VanDerWaalsContact CD-CE2 3.46Å; E52-Y55 HydrophobicContact CG-CD1 4.28Å; E52-Y55 HydrophobicContact CG-CD2 3.84Å; E52-Y55 HydrophobicContact CG-CE1 4.45Å; E52-Y55 HydrophobicContact CG-CE2 4.04Å; E52-Y55 HydrophobicContact CG-CG 3.97Å; E52-Y55 WeakPolarHBondContact O-CB 3.49Å; E52-Y55 PolarHBondContact O-N 3.02Å; E52-Y55 WeakPolarHBondContact OE2-CE2 3.35Å; E52-Y55 PolarHBondContact OE2-OH 2.77Å; K53-Y55 PolarHBondContact O-N 3.34Å; Y55-L58 PolarHBondContact O-N 2.96Å; Y55-I59 WeakPolarHBondContact O-CG1 3.17Å; Y55-I59 PolarHBondContact O-N 2.89Å
56T89.2Confident89.8Confident23 Ų2369 Ų6914%0.14135%0.353CS..Hα-helixtrans-64.6-44.4178.554.90000110.7L46 C50 K53 L58 I59 E60L46-T56 HydrophobicContact CD1-CG2 4.29Å; L46-T56 HydrophobicContact CD2-CG2 4.37Å; C50-T56 HydrophobicContact CB-CG2 3.69Å; K53-T56 PolarHBondContact O-N 2.79Å; K53-T56 PolarHBondContact O-OG1 3.08Å; T56-L58 PolarHBondContact O-N 3.26Å; T56-I59 PolarHBondContact O-N 3.44Å; T56-E60 VanDerWaalsContact O-CB 3.29Å; T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 WeakPolarHBondContact O-CG 3.45Å; T56-E60 PolarHBondContact O-N 3.42Å
57T92Very high89.5Confident86 Ų8671.7 Ų71.753%0.52838%0.381SS..Hα-helixtrans-64.2-40179.6-55.70000112K53 A61K53-T57 WeakPolarHBondContact O-CB 3.39Å; K53-T57 PolarHBondContact O-N 3.4Å; K53-T57 PolarHBondContact O-OG1 3.49Å; T57-A61 VanDerWaalsContact O-CB 3.25Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 3.03Å
58L92Very high89.4Confident72 Ų7272.5 Ų72.538%0.37739%0.386SS..Hα-helixtrans-63.1-50.2178.8-174.7160.1000111.2T33 A54 Y55 T56 A61 L62T33-L58 HydrophobicContact CG2-CD2 3.43Å; T33-L58 VanDerWaalsContact CG2-CD2 3.43Å; A54-L58 VanDerWaalsContact O-CB 3.25Å; A54-L58 WeakPolarHBondContact O-CB 3.27Å; A54-L58 PolarHBondContact O-N 2.84Å; Y55-L58 PolarHBondContact O-N 2.96Å; T56-L58 PolarHBondContact O-N 3.26Å; L58-A61 PolarHBondContact O-N 3.12Å; L58-L62 HydrophobicContact CD2-CD1 3.47Å; L58-L62 VanDerWaalsContact CD2-CD1 3.47Å; L58-L62 HydrophobicContact CD2-CG 4.13Å; L58-L62 WeakPolarHBondContact O-CG 3.15Å; L58-L62 PolarHBondContact O-N 3.09Å
59I91.7Very high89.4Confident1 Ų168 Ų681%0.00537%0.367CS..Hα-helixtrans-65.8-41.7-179.8-64.5-63.4000110.9T33 I36 L46 Y55 T56 A61 L62 C63 L70 C102T33-I59 HydrophobicContact CG2-CD1 3.88Å; I36-I59 HydrophobicContact CD1-CD1 4.17Å; L46-I59 HydrophobicContact CD1-CB 4.34Å; L46-I59 HydrophobicContact CD1-CG2 4.29Å; Y55-I59 WeakPolarHBondContact O-CG1 3.17Å; Y55-I59 PolarHBondContact O-N 2.89Å; T56-I59 PolarHBondContact O-N 3.44Å; I59-A61 PolarHBondContact O-N 3.44Å; I59-L62 PolarHBondContact O-N 3.02Å; I59-C63 VanDerWaalsContact O-CB 3.31Å; I59-C63 WeakPolarHBondContact O-CB 3.42Å; I59-C63 PolarHBondContact O-N 3.26Å; I59-C63 PolarHBondContact O-SG 3.23Å; I59-C63 VanDerWaalsContact O-SG 3.33Å; I59-L70 HydrophobicContact CG2-CD1 4.19Å; I59-C102 HydrophobicContact CG1-CB 4.39Å
60E92.4Very high89.5Confident65 Ų6567.3 Ų67.330%0.30436%0.363SS..Hα-helixtrans-60-44.4175.7-76176.5-179.400112L46 T56 H64 L70 K72L46-E60 HydrophobicContact CD2-CG 3.78Å; T56-E60 VanDerWaalsContact O-CB 3.29Å; T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 WeakPolarHBondContact O-CG 3.45Å; T56-E60 PolarHBondContact O-N 3.42Å; E60-H64 VanDerWaalsContact O-CB 3.24Å; E60-H64 WeakPolarHBondContact O-CB 3.24Å; E60-H64 PolarHBondContact O-N 3.46Å; E60-L70 HydrophobicContact CB-CD2 4.47Å; E60-L70 HydrophobicContact CG-CD2 3.61Å; E60-K72 WeakPolarHBondContact OE1-CE 3.34Å; E60-K72 IonicContact OE1-NZ 2.92Å; E60-K72 PolarHBondContact OE1-NZ 2.96Å
61A94.1Very high90Very high45 Ų4566.5 Ų66.537%0.37236%0.357SS..Hα-helixtrans-63.3-48.5177.500000111.6T57 L58 I59 C63 H64 E65T57-A61 VanDerWaalsContact O-CB 3.25Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 3.03Å; L58-A61 PolarHBondContact O-N 3.12Å; I59-A61 PolarHBondContact O-N 3.44Å; A61-C63 PolarHBondContact O-N 3.01Å; A61-H64 PolarHBondContact O-N 3.4Å; A61-E65 WeakPolarHBondContact O-CG 3.37Å; A61-E65 PolarHBondContact O-N 3.45Å
62L92.8Very high90.5Very high25 Ų2562.6 Ų62.613%0.13133%0.333CS..Hα-helixtrans-63.5-43.2179.1-70.2179.6000112.1T33 I36 L58 I59 H64 E65 H66T33-L62 HydrophobicContact CG2-CD1 3.78Å; I36-L62 HydrophobicContact CG2-CB 3.66Å; L58-L62 HydrophobicContact CD2-CD1 3.47Å; L58-L62 VanDerWaalsContact CD2-CD1 3.47Å; L58-L62 HydrophobicContact CD2-CG 4.13Å; L58-L62 WeakPolarHBondContact O-CG 3.15Å; L58-L62 PolarHBondContact O-N 3.09Å; I59-L62 PolarHBondContact O-N 3.02Å; L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 3.44Å; L62-E65 PolarHBondContact O-N 3.27Å; L62-H66 PolarHBondContact O-CD2 2.85Å; L62-H66 VanDerWaalsContact O-CD2 3.26Å; L62-H66 PolarHBondContact O-N 3.1Å; L62-H66 VanDerWaalsContact O-N 3.08Å
63C91.3Very high90.7Very high2 Ų258.5 Ų58.51%0.01431%0.313CS..Hα-helixtrans-62.7-39.3176.1-73.80000111.6I59 A61 G67 I68 L70I59-C63 VanDerWaalsContact O-CB 3.31Å; I59-C63 WeakPolarHBondContact O-CB 3.42Å; I59-C63 PolarHBondContact O-N 3.26Å; I59-C63 PolarHBondContact O-SG 3.23Å; I59-C63 VanDerWaalsContact O-SG 3.33Å; A61-C63 PolarHBondContact O-N 3.01Å; C63-G67 CarbonylContact O-C 3.59Å; C63-G67 WeakPolarHBondContact O-CA 3.41Å; C63-G67 PolarHBondContact O-N 2.94Å; C63-I68 HydrophobicContact CB-CB 4.5Å; C63-I68 PolarHBondContact O-N 2.92Å; C63-L70 HydrophobicContact CB-CB 4.37Å
64H91.8Very high90.9Very high160 Ų16053.1 Ų53.174%0.74130%0.296SS*.Hα-helixtrans-66.4-44.2176.7-177.2-88.6000112.4E60 A61 L62 H66 G67E60-H64 VanDerWaalsContact O-CB 3.24Å; E60-H64 WeakPolarHBondContact O-CB 3.24Å; E60-H64 PolarHBondContact O-N 3.46Å; A61-H64 PolarHBondContact O-N 3.4Å; L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 3.44Å; H64-H66 PolarHBondContact O-N 3.36Å; H64-G67 PolarHBondContact O-N 3Å
65E92.2Very high91Very high145 Ų14553.1 Ų53.168%0.67829%0.288SS*.Hα-helixtrans-63.7-40179-75.7-179-179.300113A61 L62A61-E65 WeakPolarHBondContact O-CG 3.37Å; A61-E65 PolarHBondContact O-N 3.45Å; L62-E65 PolarHBondContact O-N 3.27Å
66H89.2Confident91.2Very high48 Ų4849.6 Ų49.622%0.22228%0.275CS..Hα-helixtrans-87.6-5.8-179.9-71.5-75.9000113.8L62 H64 I68L62-H66 PolarHBondContact O-CD2 2.85Å; L62-H66 VanDerWaalsContact O-CD2 3.26Å; L62-H66 PolarHBondContact O-N 3.1Å; L62-H66 VanDerWaalsContact O-N 3.08Å; H64-H66 PolarHBondContact O-N 3.36Å; H66-I68 HydrophobicContact CB-CD1 3.72Å; H66-I68 HydrophobicContact CB-CG1 4.06Å; H66-I68 PolarHBondContact O-N 3.14Å
67G87Confident91.3Very high59 Ų5955.2 Ų55.261%0.60830%0.298SS*.THydrogen-bonded Turntrans66.125.2-175.300000113.4C63 H64C63-G67 CarbonylContact O-C 3.59Å; C63-G67 WeakPolarHBondContact O-CA 3.41Å; C63-G67 PolarHBondContact O-N 2.94Å; H64-G67 PolarHBondContact O-N 3Å
68I89.3Confident91.3Very high17 Ų1754.5 Ų54.59%0.08729%0.287CS..  trans-81130.2178.1-70.4158.9000108.4I36 V41 C44 C63 H66 L70I36-I68 HydrophobicContact CB-CD1 4.26Å; I36-I68 HydrophobicContact CG1-CD1 4.32Å; I36-I68 HydrophobicContact CG2-CD1 3.82Å; V41-I68 HydrophobicContact CB-CD1 3.97Å; V41-I68 HydrophobicContact CB-CG2 4.29Å; V41-I68 HydrophobicContact CG1-CG2 3.74Å; C44-I68 HydrophobicContact CB-CG2 4.16Å; C63-I68 HydrophobicContact CB-CB 4.5Å; C63-I68 PolarHBondContact O-N 2.92Å; H66-I68 HydrophobicContact CB-CD1 3.72Å; H66-I68 HydrophobicContact CB-CG1 4.06Å; H66-I68 PolarHBondContact O-N 3.14Å; I68-L70 PolarHBondContact O-N 2.85Å
69P90.2Very high91.3Very high24 Ų2451.1 Ų51.116%0.15627%0.269CS..  trans-67.8136179.626.1-32.9000112.3V42 L43 C44 L124V42-P69 WeakPolarHBondContact O-CD 3.44Å; V42-P69 WeakPolarHBondContact O-CG 3.5Å; L43-P69 HydrophobicContact CD1-CB 3.98Å; L43-P69 HydrophobicContact CD1-CG 3.86Å; C44-P69 PolarHBondContact N-O 2.88Å; P69-L124 HydrophobicContact CB-CD2 3.25Å; P69-L124 HydrophobicContact CB-CG 4.37Å; P69-L124 HydrophobicContact CG-CD2 4.05Å
70L91Very high91.3Very high43 Ų4351 Ų5123%0.22527%0.269CS..EExtended strand (participates in β ladder)trans-116.2125.6-178.9-172.672.8000110.2C44 L46 I59 E60 C63 I68C44-L70 HydrophobicContact CB-CD1 3.8Å; C44-L70 CarbonylContact O-C 3.53Å; C44-L70 WeakPolarHBondContact O-CA 3.48Å; L46-L70 HydrophobicContact CB-CD1 3.82Å; L46-L70 HydrophobicContact CB-CG 4.36Å; L46-L70 HydrophobicContact CD2-CD2 4.11Å; I59-L70 HydrophobicContact CG2-CD1 4.19Å; E60-L70 HydrophobicContact CB-CD2 4.47Å; E60-L70 HydrophobicContact CG-CD2 3.61Å; C63-L70 HydrophobicContact CB-CB 4.37Å; I68-L70 PolarHBondContact O-N 2.85Å
71V92.3Very high91.3Very high0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-111.3122.9173.2176.30000109V12 L43 C44 F45 L46 F122V12-V71 HydrophobicContact CG2-CG1 4.39Å; L43-V71 HydrophobicContact CD1-CG2 3.93Å; C44-V71 PolarHBondContact O-N 3.45Å; F45-V71 WeakPolarHBondContact CA-O 3.27Å; F45-V71 HydrophobicContact CD1-CB 3.69Å; F45-V71 HydrophobicContact CD1-CG1 3.91Å; F45-V71 HydrophobicContact CE1-CB 3.79Å; F45-V71 HydrophobicContact CE1-CG1 3.91Å; F45-V71 HydrophobicContact CE1-CG2 4.27Å; L46-V71 PolarHBondContact N-O 2.89Å; V71-F122 HydrophobicContact CG1-CE2 3.92Å; V71-F122 HydrophobicContact CG1-CZ 4Å; V71-F122 HydrophobicContact CG2-CD2 3.91Å; V71-F122 HydrophobicContact CG2-CE2 3.96Å; V71-F122 HydrophobicContact CG2-CG 4.26Å; V71-F122 HydrophobicContact CG2-CZ 4.36Å
72K91.8Very high91.1Very high85 Ų8550.2 Ų50.237%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-87134.7176.4-65.2-174.4176.6-1690110.8L46 E48 E60L46-K72 CarbonylContact O-C 3.52Å; L46-K72 VanDerWaalsContact O-CA 3.29Å; L46-K72 WeakPolarHBondContact O-CA 3.23Å; E48-K72 HydrophobicContact CG-CB 3.83Å; E48-K72 HydrophobicContact CG-CD 4.29Å; E48-K72 HydrophobicContact CG-CG 4.45Å; E48-K72 VanDerWaalsContact OE1-CB 3.31Å; E48-K72 WeakPolarHBondContact OE1-CB 3.47Å; E60-K72 WeakPolarHBondContact OE1-CE 3.34Å; E60-K72 IonicContact OE1-NZ 2.92Å; E60-K72 PolarHBondContact OE1-NZ 2.96Å
73V91.1Very high91Very high1 Ų149 Ų491%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-122.3136.2179.6178.80000108.1V12 F45 L46 A47 E48 D75 L79 W82V12-V73 HydrophobicContact CG1-CG2 4.22Å; V12-V73 HydrophobicContact CG2-CG2 4.45Å; F45-V73 HydrophobicContact CD1-CG2 4.23Å; L46-V73 PolarHBondContact O-N 2.94Å; A47-V73 CarbonylContact C-O 3.51Å; A47-V73 VanDerWaalsContact CA-O 3.26Å; A47-V73 WeakPolarHBondContact CA-O 3.41Å; E48-V73 PolarHBondContact N-O 2.91Å; V73-D75 PolarHBondContact O-N 3.16Å; V73-L79 HydrophobicContact CG2-CD1 4.44Å; V73-W82 HydrophobicContact CG1-CZ3 4Å
74P90.7Very high90.9Very high56 Ų5650.9 Ų50.936%0.36427%0.27SS..SBendtrans-64.3-41.1-174.322.7-33.7000113.3N49N49-P74 VanDerWaalsContact CB-O 3.31Å; N49-P74 WeakPolarHBondContact CB-O 3.24Å; N49-P74 PolarHBondContact N-O 3.33Å
75D91.6Very high90.7Very high61 Ų6145.7 Ų45.733%0.32625%0.247SC..  trans-115.1117.4-171.2-71.3-53.3000114V73 K77 K78 L79V73-D75 PolarHBondContact O-N 3.16Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.46Å; D75-K78 HydrophobicContact CB-CB 3.97Å; D75-K78 HydrophobicContact CB-CD 3.92Å; D75-K78 HydrophobicContact CB-CG 3.79Å; D75-K78 PolarHBondContact O-N 2.97Å; D75-K78 VanDerWaalsContact OD2-CE 3.23Å; D75-K78 WeakPolarHBondContact OD2-CE 3.25Å; D75-K78 IonicContact OD2-NZ 3.59Å; D75-K78 PolarHBondContact OD2-NZ 2.94Å; D75-L79 PolarHBondContact O-N 3.38Å; D75-L79 VanDerWaalsContact O-N 3.1Å
76N91.1Very high90.5Very high24 Ų2439.6 Ų39.613%0.12822%0.22CC..Hα-helixtrans-61.1-29171.360.64.7000114.4A47 N49 G80 A100A47-N76 HydrophobicContact CB-CB 3.55Å; N49-N76 VanDerWaalsContact ND2-CG 3.35Å; N49-N76 PolarHBondContact ND2-N 3.44Å; N49-N76 PolarHBondContact ND2-OD1 2.96Å; N49-N76 WeakPolarHBondContact OD1-CB 3.31Å; N49-N76 PolarHBondContact OD1-N 2.98Å; N49-N76 PolarHBondContact OD1-ND2 2.84Å; N49-N76 PolarHBondContact OD1-OD1 3.33Å; N76-G80 PolarHBondContact O-N 3.42Å; N76-A100 WeakPolarHBondContact CA-O 3.31Å; N76-A100 VanDerWaalsContact CB-O 3.28Å; N76-A100 WeakPolarHBondContact CB-O 3.35Å; N76-A100 PolarHBondContact O-N 2.94Å
77K91.1Very high90.5Very high140 Ų14043.9 Ų43.961%0.60924%0.238SC*.Hα-helixtrans-71.2-45.9177.9-72.6-176.1-178.1175.90110.9D75 L79 G80 E81 V97D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.46Å; K77-L79 VanDerWaalsContact C-N 3.31Å; K77-L79 PolarHBondContact O-N 2.89Å; K77-G80 PolarHBondContact O-N 3.48Å; K77-E81 PolarHBondContact O-N 2.97Å; K77-V97 VanDerWaalsContact O-CG1 3.24Å; K77-V97 WeakPolarHBondContact O-CG1 3.41Å
78K91.8Very high90.5Very high72 Ų7247.7 Ų47.731%0.31324%0.235SC..Hα-helixtrans-60.4-44174.7-69.3-175.6-177.6172.20110.8D9 D75 G80 E81 W82D9-K78 IonicContact OD2-NZ 3.16Å; D9-K78 PolarHBondContact OD2-NZ 3.48Å; D75-K78 HydrophobicContact CB-CB 3.97Å; D75-K78 HydrophobicContact CB-CD 3.92Å; D75-K78 HydrophobicContact CB-CG 3.79Å; D75-K78 PolarHBondContact O-N 2.97Å; D75-K78 VanDerWaalsContact OD2-CE 3.23Å; D75-K78 WeakPolarHBondContact OD2-CE 3.25Å; D75-K78 IonicContact OD2-NZ 3.59Å; D75-K78 PolarHBondContact OD2-NZ 2.94Å; K78-G80 VanDerWaalsContact C-N 3.32Å; K78-G80 PolarHBondContact O-N 3.48Å; K78-E81 WeakPolarHBondContact O-CB 3.18Å; K78-E81 PolarHBondContact O-N 2.91Å; K78-E81 VanDerWaalsContact O-N 3.16Å; K78-W82 HydrophobicContact CB-CD2 4.39Å; K78-W82 HydrophobicContact CB-CE3 4.47Å; K78-W82 HydrophobicContact CB-CH2 3.79Å; K78-W82 HydrophobicContact CB-CZ2 3.68Å; K78-W82 HydrophobicContact CB-CZ3 4.18Å; K78-W82 HydrophobicContact CD-CH2 3.94Å; K78-W82 HydrophobicContact CD-CZ2 3.85Å; K78-W82 HydrophobicContact CG-CH2 4.48Å; K78-W82 HydrophobicContact CG-CZ2 4.18Å; K78-W82 VanDerWaalsContact O-CD2 3.23Å; K78-W82 PolarHBondContact O-N 3.36Å
79L92.2Very high90.6Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-59.9-42176.8-171.960.4000112.2L16 F45 A47 V73 D75 K77 S83 I103L16-L79 HydrophobicContact CD1-CD1 3.56Å; F45-L79 HydrophobicContact CB-CD1 3.94Å; F45-L79 HydrophobicContact CB-CD2 4.22Å; F45-L79 HydrophobicContact CG-CD1 4.41Å; A47-L79 HydrophobicContact CB-CD2 4.25Å; V73-L79 HydrophobicContact CG2-CD1 4.44Å; D75-L79 PolarHBondContact O-N 3.38Å; D75-L79 VanDerWaalsContact O-N 3.1Å; K77-L79 VanDerWaalsContact C-N 3.31Å; K77-L79 PolarHBondContact O-N 2.89Å; L79-S83 WeakPolarHBondContact O-CB 3.47Å; L79-S83 PolarHBondContact O-N 3.36Å; L79-S83 VanDerWaalsContact O-N 3.16Å; L79-S83 PolarHBondContact O-OG 2.94Å; L79-I103 HydrophobicContact CD1-CD1 3.9Å; L79-I103 HydrophobicContact CD1-CG1 4.36Å; L79-I103 HydrophobicContact CD2-CD1 4.29Å; L79-I103 HydrophobicContact CD2-CG1 4.09Å; L79-I103 HydrophobicContact CG-CD1 3.6Å; L79-I103 HydrophobicContact CG-CG1 3.96Å; L79-I103 WeakPolarHBondContact O-CD1 3.29Å
80G92.4Very high90.6Very high0 Ų058.9 Ų58.90%028%0.283CS..Hα-helixtrans-62.4-43.2172.800000113.4N76 K77 K78 S83 G84 L85 V98N76-G80 PolarHBondContact O-N 3.42Å; K77-G80 PolarHBondContact O-N 3.48Å; K78-G80 VanDerWaalsContact C-N 3.32Å; K78-G80 PolarHBondContact O-N 3.48Å; G80-S83 WeakPolarHBondContact CA-OG 3.47Å; G80-S83 PolarHBondContact O-N 3.31Å; G80-S83 PolarHBondContact O-OG 3.22Å; G80-G84 PolarHBondContact O-N 3.16Å; G80-L85 WeakPolarHBondContact O-CA 3.47Å; G80-L85 WeakPolarHBondContact O-CB 3.33Å; G80-L85 PolarHBondContact O-N 2.94Å; G80-V98 WeakPolarHBondContact CA-O 3.45Å
81E91.9Very high90.5Very high70 Ų7063 Ų6333%0.32730%0.302SS..Hα-helixtrans-61.6-47.9176.3-171179.4161.100112K77 K78 S83 G84 C86 A94 V97K77-E81 PolarHBondContact O-N 2.97Å; K78-E81 WeakPolarHBondContact O-CB 3.18Å; K78-E81 PolarHBondContact O-N 2.91Å; K78-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 3.47Å; E81-G84 PolarHBondContact O-N 2.93Å; E81-C86 HydrophobicContact CG-CB 4.43Å; E81-A94 HydrophobicContact CG-CB 3.88Å; E81-A94 WeakPolarHBondContact OE1-CB 3.49Å; E81-V97 HydrophobicContact CB-CG1 3.85Å; E81-V97 HydrophobicContact CB-CG2 4.39Å; E81-V97 HydrophobicContact CG-CG2 4.41Å
82W91Very high90.2Very high22 Ų2265.5 Ų65.58%0.08333%0.327CS..Hα-helixtrans-69.1-24.6-176.6-57.4-21.7000113.6D9 V12 Q13 L16 V73 K78 G84D9-W82 HydrophobicContact CB-CH2 3.64Å; D9-W82 HydrophobicContact CB-CZ2 4.02Å; V12-W82 HydrophobicContact CB-CE3 4.48Å; V12-W82 HydrophobicContact CB-CZ3 4.28Å; V12-W82 HydrophobicContact CG1-CE3 3.91Å; V12-W82 HydrophobicContact CG1-CZ3 3.99Å; Q13-W82 HydrophobicContact CB-CB 4.5Å; Q13-W82 HydrophobicContact CB-CD2 3.96Å; Q13-W82 HydrophobicContact CB-CG 3.94Å; Q13-W82 HydrophobicContact CG-CB 4.26Å; Q13-W82 HydrophobicContact CG-CD2 4.33Å; Q13-W82 HydrophobicContact CG-CG 3.81Å; L16-W82 HydrophobicContact CB-CB 4.41Å; L16-W82 HydrophobicContact CD1-CB 3.91Å; L16-W82 HydrophobicContact CD1-CE3 4.43Å; V73-W82 HydrophobicContact CG1-CZ3 4Å; K78-W82 HydrophobicContact CB-CD2 4.39Å; K78-W82 HydrophobicContact CB-CE3 4.47Å; K78-W82 HydrophobicContact CB-CH2 3.79Å; K78-W82 HydrophobicContact CB-CZ2 3.68Å; K78-W82 HydrophobicContact CB-CZ3 4.18Å; K78-W82 HydrophobicContact CD-CH2 3.94Å; K78-W82 HydrophobicContact CD-CZ2 3.85Å; K78-W82 HydrophobicContact CG-CH2 4.48Å; K78-W82 HydrophobicContact CG-CZ2 4.18Å; K78-W82 VanDerWaalsContact O-CD2 3.23Å; K78-W82 PolarHBondContact O-N 3.36Å; W82-G84 VanDerWaalsContact C-N 3.26Å
83S91.1Very high90Very high1 Ų167.3 Ų67.31%0.00734%0.335CS..THydrogen-bonded Turntrans-85.74172.859.70000114.5R27 L79 G80 E81 I103R27-S83 PolarHBondContact NH2-O 3.16Å; L79-S83 WeakPolarHBondContact O-CB 3.47Å; L79-S83 PolarHBondContact O-N 3.36Å; L79-S83 VanDerWaalsContact O-N 3.16Å; L79-S83 PolarHBondContact O-OG 2.94Å; G80-S83 WeakPolarHBondContact CA-OG 3.47Å; G80-S83 PolarHBondContact O-N 3.31Å; G80-S83 PolarHBondContact O-OG 3.22Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 3.47Å; S83-I103 WeakPolarHBondContact OG-CD1 2.99Å
84G88Confident89.8Confident40 Ų4068.7 Ų68.741%0.41235%0.346SS..THydrogen-bonded Turntrans81.415.7176.300000114.4G80 E81 W82 C86G80-G84 PolarHBondContact O-N 3.16Å; E81-G84 PolarHBondContact O-N 2.93Å; W82-G84 VanDerWaalsContact C-N 3.26Å; G84-C86 PolarHBondContact O-N 2.89Å
85L87Confident89.7Confident51 Ų5173 Ų7327%0.26736%0.355SS..  trans-81.947.8173-59.9176000111.5R27 G80 V97 V98 A100R27-L85 HydrophobicContact CB-CD1 4.33Å; R27-L85 HydrophobicContact CG-CD1 4.3Å; G80-L85 WeakPolarHBondContact O-CA 3.47Å; G80-L85 WeakPolarHBondContact O-CB 3.33Å; G80-L85 PolarHBondContact O-N 2.94Å; L85-V97 WeakPolarHBondContact O-CA 3.39Å; L85-V98 HydrophobicContact CB-CB 4.12Å; L85-V98 PolarHBondContact O-N 2.93Å; L85-A100 HydrophobicContact CD1-CB 4.04Å
86C88.9Confident89.6Confident17 Ų1778 Ų7812%0.11537%0.374CS..SBendtrans-136.7152.8178.861.10000110.6E81 G84 Y88 A94 V97E81-C86 HydrophobicContact CG-CB 4.43Å; G84-C86 PolarHBondContact O-N 2.89Å; C86-Y88 VanDerWaalsContact SG-CE2 3.59Å; C86-Y88 PolarHBondContact SG-OH 2.98Å; C86-A94 HydrophobicContact CB-CB 4.08Å; C86-V97 HydrophobicContact CB-CB 4.46Å; C86-V97 HydrophobicContact CB-CG2 3.87Å
87K89.1Confident89.5Confident138 Ų13878.9 Ų78.960%0.638%0.38SS*.EExtended strand (participates in β ladder)trans-95.6134.6168.2-64.7-173.6177.9-174.40108R95 K96K87-R95 PolarHBondContact N-O 3.4Å; K87-R95 PolarHBondContact O-N 2.91Å; K87-K96 HydrophobicContact CD-CD 4.24Å
88Y88.2Confident89.5Confident139 Ų13976.4 Ų76.455%0.54538%0.377SS..EExtended strand (participates in β ladder)trans-93133.4174.2-64.9-82.2000109.6C86 K93 A94C86-Y88 VanDerWaalsContact SG-CE2 3.59Å; C86-Y88 PolarHBondContact SG-OH 2.98Å; Y88-K93 WeakPolarHBondContact CA-O 3.38Å; Y88-A94 HydrophobicContact CE1-CB 4.47Å
89D89.7Confident89.5Confident50 Ų5075.8 Ų75.827%0.26738%0.381SS..PPolyproline II helixtrans-73.1174167.6-67.6-36.7000111.4E91 G92 K93 R95D89-E91 PolarHBondContact O-N 3.45Å; D89-E91 VanDerWaalsContact O-N 3.11Å; D89-G92 PolarHBondContact O-N 2.91Å; D89-K93 PolarHBondContact N-O 3.11Å; D89-R95 VanDerWaalsContact CG-CD 3.49Å; D89-R95 VanDerWaalsContact OD1-CD 3.27Å; D89-R95 WeakPolarHBondContact OD1-CD 3.31Å; D89-R95 IonicContact OD1-NE 2.56Å; D89-R95 WeakPolarHBondContact OD2-CD 3.48Å; D89-R95 WeakPolarHBondContact OD2-CG 3.5Å; D89-R95 IonicContact OD2-CZ 3.36Å; D89-R95 IonicContact OD2-NE 3.75Å; D89-R95 PolarHBondContact OD2-NE 2.87Å; D89-R95 IonicContact OD2-NH2 3.47Å; D89-R95 PolarHBondContact OD2-NH2 3.24Å
90K91Very high89.4Confident226 Ų22676 Ų7698%0.98338%0.384SS*.THydrogen-bonded Turntrans-55.7-25.3170.6-59.2-176.2-178.6-176.80113.5G92K90-G92 VanDerWaalsContact C-N 3.33Å
91E89.4Confident89.3Confident131 Ų13178 Ų7861%0.61240%0.397SS*.THydrogen-bonded Turntrans-85.3-1.4176.8-57.7-172.2123.800113.5D89 K93D89-E91 PolarHBondContact O-N 3.45Å; D89-E91 VanDerWaalsContact O-N 3.11Å; E91-K93 HydrophobicContact CB-CG 4.43Å; E91-K93 PolarHBondContact O-N 3.17Å; E91-K93 IonicContact OE1-NZ 2.79Å; E91-K93 IonicContact OE2-NZ 2.65Å; E91-K93 PolarHBondContact OE2-NZ 3.45Å
92G84.5Confident89.3Confident51 Ų5175 Ų7553%0.52638%0.384SS..SBendtrans75.77.1-175.400000114.8D89 K90D89-G92 PolarHBondContact O-N 2.91Å; K90-G92 VanDerWaalsContact C-N 3.33Å
93K88.2Confident89.4Confident123 Ų12374 Ų7454%0.53538%0.38SS..  trans-78.6139.1173.6-66.6176.1-171.8148.40110.7Y88 D89 E91 R95Y88-K93 WeakPolarHBondContact CA-O 3.38Å; D89-K93 PolarHBondContact N-O 3.11Å; E91-K93 HydrophobicContact CB-CG 4.43Å; E91-K93 PolarHBondContact O-N 3.17Å; E91-K93 IonicContact OE1-NZ 2.79Å; E91-K93 IonicContact OE2-NZ 2.65Å; E91-K93 PolarHBondContact OE2-NZ 3.45Å; K93-R95 PolarHBondContact O-N 3.01Å
94A87Confident89.6Confident31 Ų3173.9 Ų73.926%0.25638%0.38SS..EExtended strand (participates in β ladder)trans-71.6122.8174.500000110.8E81 C86 Y88 V97E81-A94 HydrophobicContact CG-CB 3.88Å; E81-A94 WeakPolarHBondContact OE1-CB 3.49Å; C86-A94 HydrophobicContact CB-CB 4.08Å; Y88-A94 HydrophobicContact CE1-CB 4.47Å; A94-V97 HydrophobicContact CB-CG2 4.11Å
95R89.2Confident89.9Confident146 Ų14672 Ų7255%0.55136%0.36SS*.EExtended strand (participates in β ladder)trans-124158.9171.1-76.5-157.6-167.9175.215111.1K87 D89 K93 V97K87-R95 PolarHBondContact N-O 3.4Å; K87-R95 PolarHBondContact O-N 2.91Å; D89-R95 VanDerWaalsContact CG-CD 3.49Å; D89-R95 VanDerWaalsContact OD1-CD 3.27Å; D89-R95 WeakPolarHBondContact OD1-CD 3.31Å; D89-R95 IonicContact OD1-NE 2.56Å; D89-R95 WeakPolarHBondContact OD2-CD 3.48Å; D89-R95 WeakPolarHBondContact OD2-CG 3.5Å; D89-R95 IonicContact OD2-CZ 3.36Å; D89-R95 IonicContact OD2-NE 3.75Å; D89-R95 PolarHBondContact OD2-NE 2.87Å; D89-R95 IonicContact OD2-NH2 3.47Å; D89-R95 PolarHBondContact OD2-NH2 3.24Å; K93-R95 PolarHBondContact O-N 3.01Å; R95-V97 PolarHBondContact O-N 2.73Å
96K89Confident90.1Very high165 Ų16571.6 Ų71.672%0.71736%0.36SS*.SBendtrans50.145.1179.1-60.3-176.6176.5-176.80111.5K87 V98K87-K96 HydrophobicContact CD-CD 4.24Å; K96-V98 PolarHBondContact O-N 2.85Å
97V89.6Confident90.2Very high43 Ų4374.7 Ų74.726%0.26138%0.375SS..PPolyproline II helixtrans-63.7121.5176.9-176.90000108.3K77 E81 L85 C86 A94 R95K77-V97 VanDerWaalsContact O-CG1 3.24Å; K77-V97 WeakPolarHBondContact O-CG1 3.41Å; E81-V97 HydrophobicContact CB-CG1 3.85Å; E81-V97 HydrophobicContact CB-CG2 4.39Å; E81-V97 HydrophobicContact CG-CG2 4.41Å; L85-V97 WeakPolarHBondContact O-CA 3.39Å; C86-V97 HydrophobicContact CB-CB 4.46Å; C86-V97 HydrophobicContact CB-CG2 3.87Å; A94-V97 HydrophobicContact CB-CG2 4.11Å; R95-V97 PolarHBondContact O-N 2.73Å
98V91.4Very high90.1Very high88 Ų8869 Ų6953%0.53335%0.351SS..PPolyproline II helixtrans-84.7127.6171.8-177.90000107.4G80 L85 K96G80-V98 WeakPolarHBondContact CA-O 3.45Å; L85-V98 HydrophobicContact CB-CB 4.12Å; L85-V98 PolarHBondContact O-N 2.93Å; K96-V98 PolarHBondContact O-N 2.85Å
99S90.1Very high90.1Very high59 Ų5964.3 Ų64.341%0.41335%0.346SS..PPolyproline II helixtrans-66.2136.4176.251.30000110.9
100A90.5Very high89.8Confident6 Ų668 Ų685%0.0536%0.361CS..  trans-114.7122.217000000109.5N76 L85 I103N76-A100 WeakPolarHBondContact CA-O 3.31Å; N76-A100 VanDerWaalsContact CB-O 3.28Å; N76-A100 WeakPolarHBondContact CB-O 3.35Å; N76-A100 PolarHBondContact O-N 2.94Å; L85-A100 HydrophobicContact CD1-CB 4.04Å; A100-I103 HydrophobicContact CB-CD1 3.82Å; A100-I103 HydrophobicContact CB-CG1 3.91Å
101S90Very high89.2Confident41 Ų4160.1 Ų60.129%0.28733%0.328SS..SBendtrans-79.9-35.4176.7-55.30000112.1A47 C50A47-S101 PolarHBondContact N-O 3.36Å; C50-S101 PolarHBondContact SG-OG 2.89Å
102C91.9Very high88.9Confident7 Ų754.3 Ų54.35%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-142.4137.9-177.51780000109.8C44 F45 L46 I59C44-C102 VanDerWaalsContact SG-SG 3.67Å; F45-C102 VanDerWaalsContact O-CA 3.31Å; F45-C102 WeakPolarHBondContact O-CA 3.46Å; L46-C102 HydrophobicContact CD1-CB 4.44Å; I59-C102 HydrophobicContact CG1-CB 4.39Å
103I94.2Very high89Confident0 Ų060.5 Ų60.50%031%0.31CS..EExtended strand (participates in β ladder)trans-136.7126176.2-55-168.3000108.2L16 I25 F45 L79 S83 A100L16-I103 HydrophobicContact CD2-CG2 3.9Å; I25-I103 HydrophobicContact CB-CG2 4.39Å; F45-I103 HydrophobicContact CB-CB 4.41Å; F45-I103 PolarHBondContact N-O 2.89Å; F45-I103 PolarHBondContact O-N 3.09Å; L79-I103 HydrophobicContact CD1-CD1 3.9Å; L79-I103 HydrophobicContact CD1-CG1 4.36Å; L79-I103 HydrophobicContact CD2-CD1 4.29Å; L79-I103 HydrophobicContact CD2-CG1 4.09Å; L79-I103 HydrophobicContact CG-CD1 3.6Å; L79-I103 HydrophobicContact CG-CG1 3.96Å; L79-I103 WeakPolarHBondContact O-CD1 3.29Å; S83-I103 WeakPolarHBondContact OG-CD1 2.99Å; A100-I103 HydrophobicContact CB-CD1 3.82Å; A100-I103 HydrophobicContact CB-CG1 3.91Å
104V94.3Very high88.8Confident0 Ų054.6 Ų54.60%029%0.285CS..EExtended strand (participates in β ladder)trans-104.3139.8174-64.40000109.8I25 C26 C32 L35 I36 V41 C44I25-V104 WeakPolarHBondContact CA-O 3.25Å; C26-V104 HydrophobicContact CB-CG2 3.66Å; C26-V104 PolarHBondContact N-O 3.29Å; C26-V104 PolarHBondContact O-N 2.92Å; C26-V104 VanDerWaalsContact O-N 3.12Å; C32-V104 HydrophobicContact CB-CG1 3.7Å; C32-V104 HydrophobicContact CB-CG2 4.23Å; L35-V104 HydrophobicContact CB-CG2 4.34Å; L35-V104 HydrophobicContact CD1-CG2 3.84Å; I36-V104 HydrophobicContact CD1-CG1 3.99Å; I36-V104 HydrophobicContact CG1-CG1 4.04Å; V41-V104 HydrophobicContact CG1-CB 3.87Å; V41-V104 HydrophobicContact CG1-CG1 4.12Å; V41-V104 HydrophobicContact CG2-CB 3.96Å; V41-V104 HydrophobicContact CG2-CG1 4.23Å; V41-V104 HydrophobicContact CG2-CG2 4.29Å; C44-V104 HydrophobicContact CB-CG1 4.33Å
105V93.9Very high88.7Confident0 Ų053.3 Ų53.30%027%0.273CS..EExtended strand (participates in β ladder)trans-104.6116.1173.7-178.30000107.8L16 A19 G24 I25 V42 L43 F45 D107 I108L16-V105 HydrophobicContact CD2-CG2 4.27Å; A19-V105 HydrophobicContact CB-CG1 3.8Å; A19-V105 HydrophobicContact CB-CG2 4.46Å; G24-V105 CarbonylContact O-C 3.58Å; G24-V105 VanDerWaalsContact O-CA 3.29Å; G24-V105 WeakPolarHBondContact O-CA 3.31Å; I25-V105 HydrophobicContact CG2-CG2 4.22Å; V42-V105 PolarHBondContact N-O 3.1Å; L43-V105 HydrophobicContact CB-CB 4.2Å; L43-V105 PolarHBondContact N-O 3.35Å; L43-V105 PolarHBondContact O-N 2.65Å; F45-V105 HydrophobicContact CD2-CG2 4.1Å; F45-V105 HydrophobicContact CE2-CG2 3.7Å; V105-D107 WeakPolarHBondContact CG1-O 3.29Å; V105-I108 HydrophobicContact CG1-CG1 3.86Å
106T92.4Very high88.6Confident42 Ų4250.3 Ų50.326%0.25827%0.265SS..SBendtrans-92.4-30.517454.60000111.6G24 L35 G40 V42G24-T106 WeakPolarHBondContact CA-OG1 3.3Å; G24-T106 PolarHBondContact O-N 3.31Å; G24-T106 PolarHBondContact O-OG1 2.84Å; L35-T106 HydrophobicContact CD1-CG2 3.94Å; L35-T106 HydrophobicContact CD2-CG2 4.18Å; G40-T106 WeakPolarHBondContact O-CA 3.44Å; G40-T106 WeakPolarHBondContact O-CB 3.06Å; G40-T106 WeakPolarHBondContact O-CG2 3.14Å; V42-T106 WeakPolarHBondContact CG2-O 3.26Å
107D91.3Very high88.5Confident82 Ų8245.6 Ų45.644%0.43924%0.243SC..  trans-142.9128.1175-177.78.8000109.6A19 C22 G24 V105 G109A19-D107 WeakPolarHBondContact CA-O 3.17Å; A19-D107 VanDerWaalsContact CB-O 3.25Å; A19-D107 WeakPolarHBondContact CB-O 3.38Å; C22-D107 PolarHBondContact SG-O 3.2Å; G24-D107 WeakPolarHBondContact CA-O 3.21Å; G24-D107 PolarHBondContact O-N 3.43Å; V105-D107 WeakPolarHBondContact CG1-O 3.29Å; D107-G109 VanDerWaalsContact C-N 3.3Å; D107-G109 PolarHBondContact OD1-N 2.84Å
108I87.4Confident88.3Confident18 Ų1843.6 Ų43.69%0.09223%0.23CC..  trans-79.4-21.7179.8-60.3159.8000110.6V15 N18 A19 V42 V105 E110 L115 I126V15-I108 HydrophobicContact CG1-CG2 4.45Å; N18-I108 CarbonylContact C-O 3.5Å; A19-I108 PolarHBondContact N-O 2.84Å; V42-I108 HydrophobicContact CG1-CD1 3.64Å; V42-I108 HydrophobicContact CG1-CG1 4.28Å; V105-I108 HydrophobicContact CG1-CG1 3.86Å; I108-E110 PolarHBondContact O-N 2.79Å; I108-E110 VanDerWaalsContact O-N 3.11Å; I108-L115 HydrophobicContact CD1-CD1 3.74Å; I108-L115 HydrophobicContact CD1-CD2 4.04Å; I108-L115 HydrophobicContact CG1-CD1 4.48Å; I108-L115 HydrophobicContact CG2-CD1 4.23Å; I108-L115 HydrophobicContact CG2-CD2 3.88Å; I108-I126 HydrophobicContact CD1-CD1 4.27Å; I108-I126 HydrophobicContact CD1-CG2 3.77Å
109G87.1Confident88.1Confident42 Ų4240.5 Ų40.543%0.43321%0.212SC..  trans69.9-100.2-175.600000111.1C22 D107C22-G109 VanDerWaalsContact SG-CA 3.57Å; D107-G109 VanDerWaalsContact C-N 3.3Å; D107-G109 PolarHBondContact OD1-N 2.84Å
110E83.8Confident87.9Confident127 Ų12744.7 Ų44.759%0.59323%0.225SC*.SBendtrans-96.8134-177-71.2175.7179.200112.1N18 I108N18-E110 PolarHBondContact ND2-O 3.47Å; I108-E110 PolarHBondContact O-N 2.79Å; I108-E110 VanDerWaalsContact O-N 3.11Å
111E78.6Confident87.6Confident61 Ų6149.2 Ų49.229%0.28524%0.243SC..  trans-57146170.1-58.5-122.2132.900111.3T128 R129E111-T128 WeakPolarHBondContact OE1-CA 3.4Å; E111-T128 VanDerWaalsContact OE1-CB 3.25Å; E111-T128 WeakPolarHBondContact OE1-CB 3.24Å; E111-T128 WeakPolarHBondContact OE2-CB 3.37Å; E111-R129 PolarHBondContact OE1-N 2.99Å
112S83Confident87.2Confident9 Ų951 Ų516%0.06325%0.246CC..  trans-146.6158.9175.755.80000111.4G114 L115 K116S112-G114 PolarHBondContact O-N 3.29Å; S112-L115 WeakPolarHBondContact O-CB 3.28Å; S112-L115 PolarHBondContact O-N 2.85Å; S112-L115 PolarHBondContact OG-N 2.95Å; S112-K116 PolarHBondContact O-N 3.3Å; S112-K116 VanDerWaalsContact O-N 3.13Å
113Y85.5Confident86.7Confident180 Ų18061.3 Ų61.371%0.70628%0.284SS*.Hα-helixtrans-54.2-35.3169.8-64.8-76.2000111.5K116 Y117Y113-K116 PolarHBondContact O-N 3.47Å; Y113-Y117 WeakPolarHBondContact O-CB 3.43Å; Y113-Y117 PolarHBondContact O-N 3.23Å
114G84.6Confident85.8Confident0 Ų062 Ų620%029%0.288CS..Hα-helixtrans-61.7-41.8172.800000113.8Q14 S112 Y117 L118Q14-G114 VanDerWaalsContact OE1-N 3.15Å; S112-G114 PolarHBondContact O-N 3.29Å; G114-Y117 PolarHBondContact O-N 3.29Å; G114-L118 WeakPolarHBondContact O-CG 3.27Å; G114-L118 PolarHBondContact O-N 3.39Å
115L84.7Confident84.7Confident3 Ų367.6 Ų67.62%0.01632%0.324CS..Hα-helixtrans-63.1-47.8175.5-17866.2000111.1V15 I108 S112 Y117 L118 V119 I126 T128V15-L115 HydrophobicContact CG2-CB 3.95Å; V15-L115 HydrophobicContact CG2-CD1 4.31Å; I108-L115 HydrophobicContact CD1-CD1 3.74Å; I108-L115 HydrophobicContact CD1-CD2 4.04Å; I108-L115 HydrophobicContact CG1-CD1 4.48Å; I108-L115 HydrophobicContact CG2-CD1 4.23Å; I108-L115 HydrophobicContact CG2-CD2 3.88Å; S112-L115 WeakPolarHBondContact O-CB 3.28Å; S112-L115 PolarHBondContact O-N 2.85Å; S112-L115 PolarHBondContact OG-N 2.95Å; L115-Y117 VanDerWaalsContact C-N 3.29Å; L115-Y117 PolarHBondContact O-N 3.26Å; L115-L118 PolarHBondContact O-N 3.02Å; L115-L118 VanDerWaalsContact O-N 3.13Å; L115-V119 HydrophobicContact CD1-CG2 4.15Å; L115-V119 HydrophobicContact CG-CG2 4.14Å; L115-V119 WeakPolarHBondContact O-CB 3.23Å; L115-V119 VanDerWaalsContact O-CG2 3.23Å; L115-V119 WeakPolarHBondContact O-CG2 3.41Å; L115-V119 PolarHBondContact O-N 3.45Å; L115-I126 HydrophobicContact CD1-CD1 4.46Å; L115-T128 HydrophobicContact CD2-CG2 4.01Å; L115-T128 HydrophobicContact CG-CG2 4.41Å
116K86.4Confident83.7Confident84 Ų8468.8 Ų68.837%0.36533%0.33SS..Hα-helixtrans-57.3-44.4178.2-67.6-176.3178.3-172.80111.3S112 Y113 L118 V119 E120 T128S112-K116 PolarHBondContact O-N 3.3Å; S112-K116 VanDerWaalsContact O-N 3.13Å; Y113-K116 PolarHBondContact O-N 3.47Å; K116-L118 PolarHBondContact O-N 3.03Å; K116-V119 PolarHBondContact O-N 2.56Å; K116-E120 WeakPolarHBondContact O-CB 3.08Å; K116-E120 WeakPolarHBondContact O-CG 3.25Å; K116-E120 PolarHBondContact O-N 3.36Å; K116-T128 HydrophobicContact CG-CG2 4.28Å
117Y87.5Confident82.2Confident66 Ų6675.4 Ų75.426%0.25936%0.358SS..Hα-helixtrans-58.7-46.4174.5177.8-94.4000112.9M6 L8 A11 Y113 G114 L115 K121M6-Y117 HydrophobicContact CB-CD2 3.99Å; M6-Y117 HydrophobicContact CB-CE2 4.43Å; M6-Y117 HydrophobicContact CB-CG 4.19Å; M6-Y117 HydrophobicContact CG-CD1 4.39Å; M6-Y117 HydrophobicContact CG-CD2 4.36Å; M6-Y117 HydrophobicContact CG-CG 4.04Å; M6-Y117 VanDerWaalsContact O-CE2 3.24Å; M6-Y117 WeakPolarHBondContact O-CE2 3.48Å; M6-Y117 PolarHBondContact O-OH 3Å; L8-Y117 HydrophobicContact CD1-CE1 4.38Å; A11-Y117 HydrophobicContact CB-CD1 3.63Å; A11-Y117 HydrophobicContact CB-CE1 4.32Å; A11-Y117 HydrophobicContact CB-CG 4.35Å; Y113-Y117 WeakPolarHBondContact O-CB 3.43Å; Y113-Y117 PolarHBondContact O-N 3.23Å; G114-Y117 PolarHBondContact O-N 3.29Å; L115-Y117 VanDerWaalsContact C-N 3.29Å; L115-Y117 PolarHBondContact O-N 3.26Å; Y117-K121 HydrophobicContact CE1-CD 3.64Å; Y117-K121 WeakPolarHBondContact O-CB 3.15Å; Y117-K121 PolarHBondContact O-N 3.39Å; Y117-K121 PolarHBondContact OH-NZ 3.47Å
118L85.9Confident80.6Confident0 Ų073.8 Ų73.80%035%0.351CS..Hα-helixtrans-66-40.8177.7-69.3-179.8000111.9L8 A11 V12 V15 L43 F45 G114 L115 K116 K121 F122 L124L8-L118 HydrophobicContact CD1-CD2 3.66Å; A11-L118 HydrophobicContact CB-CD2 4.37Å; A11-L118 HydrophobicContact CB-CG 4.23Å; V12-L118 HydrophobicContact CG2-CD1 4.25Å; V12-L118 HydrophobicContact CG2-CD2 4.15Å; V15-L118 HydrophobicContact CB-CD1 4.48Å; V15-L118 HydrophobicContact CG2-CD1 4Å; L43-L118 HydrophobicContact CD2-CD1 4.3Å; F45-L118 HydrophobicContact CE1-CD1 4.16Å; F45-L118 HydrophobicContact CZ-CD1 4.12Å; G114-L118 WeakPolarHBondContact O-CG 3.27Å; G114-L118 PolarHBondContact O-N 3.39Å; L115-L118 PolarHBondContact O-N 3.02Å; L115-L118 VanDerWaalsContact O-N 3.13Å; K116-L118 PolarHBondContact O-N 3.03Å; L118-K121 PolarHBondContact O-N 3.36Å; L118-F122 HydrophobicContact CD2-CD2 4.15Å; L118-F122 HydrophobicContact CD2-CE2 3.89Å; L118-F122 WeakPolarHBondContact O-CB 3.01Å; L118-F122 WeakPolarHBondContact O-CD2 2.94Å; L118-F122 PolarHBondContact O-N 3.44Å; L118-L124 HydrophobicContact CB-CD1 4.28Å
119V86.6Confident79Confident23 Ų2382.9 Ų82.914%0.13938%0.384CS..Hα-helixtrans-61.4-46.7177.5169.40000110.8L115 K116 R123 L124 I126L115-V119 HydrophobicContact CD1-CG2 4.15Å; L115-V119 HydrophobicContact CG-CG2 4.14Å; L115-V119 WeakPolarHBondContact O-CB 3.23Å; L115-V119 VanDerWaalsContact O-CG2 3.23Å; L115-V119 WeakPolarHBondContact O-CG2 3.41Å; L115-V119 PolarHBondContact O-N 3.45Å; K116-V119 PolarHBondContact O-N 2.56Å; V119-R123 CarbonylContact O-C 3.47Å; V119-R123 WeakPolarHBondContact O-CA 3.31Å; V119-R123 PolarHBondContact O-N 2.9Å; V119-L124 HydrophobicContact CB-CB 4.43Å; V119-L124 HydrophobicContact CG2-CB 4.13Å; V119-L124 HydrophobicContact CG2-CD1 4.4Å; V119-L124 PolarHBondContact O-N 3.37Å; V119-I126 HydrophobicContact CG2-CB 4.14Å; V119-I126 HydrophobicContact CG2-CD1 4.37Å
120E86Confident77.3Confident148 Ų14889 Ų8969%0.69240%0.402SS*.Hα-helixtrans-67-46.2177.7-72.6172.4-174.400111.9K116K116-E120 WeakPolarHBondContact O-CB 3.08Å; K116-E120 WeakPolarHBondContact O-CG 3.25Å; K116-E120 PolarHBondContact O-N 3.36Å
121K83.5Confident75.2Confident101 Ų10191 Ų9144%0.43944%0.439SS..Hα-helixtrans-66.4-42.9-176.2-173.9172.2-171.1171.20112.9Y117 L118Y117-K121 HydrophobicContact CE1-CD 3.64Å; Y117-K121 WeakPolarHBondContact O-CB 3.15Å; Y117-K121 PolarHBondContact O-N 3.39Å; Y117-K121 PolarHBondContact OH-NZ 3.47Å; L118-K121 PolarHBondContact O-N 3.36Å
122F83.1Confident75.1Confident78 Ų7892.5 Ų92.534%0.34245%0.447SS..Hα-helixtrans-101.52.1-177.5-65.6-81.5000113.3L8 V71 L118 L124L8-F122 HydrophobicContact CD1-CE2 3.96Å; L8-F122 HydrophobicContact CD1-CZ 4.35Å; V71-F122 HydrophobicContact CG1-CE2 3.92Å; V71-F122 HydrophobicContact CG1-CZ 4Å; V71-F122 HydrophobicContact CG2-CD2 3.91Å; V71-F122 HydrophobicContact CG2-CE2 3.96Å; V71-F122 HydrophobicContact CG2-CG 4.26Å; V71-F122 HydrophobicContact CG2-CZ 4.36Å; L118-F122 HydrophobicContact CD2-CD2 4.15Å; L118-F122 HydrophobicContact CD2-CE2 3.89Å; L118-F122 WeakPolarHBondContact O-CB 3.01Å; L118-F122 WeakPolarHBondContact O-CD2 2.94Å; L118-F122 PolarHBondContact O-N 3.44Å; F122-L124 VanDerWaalsContact C-N 3.31Å; F122-L124 HydrophobicContact CB-CD1 4.49Å; F122-L124 HydrophobicContact CB-CD2 3.42Å; F122-L124 VanDerWaalsContact CB-CD2 3.42Å; F122-L124 HydrophobicContact CB-CG 3.83Å; F122-L124 PolarHBondContact O-N 3.3Å
123R80.1Confident74.6Confident224 Ų22496.8 Ų96.885%0.84547%0.467SS*.THydrogen-bonded Turntrans50.450.5-175.8-70.4-178-79.1-125.7-3.4112.1V119V119-R123 CarbonylContact O-C 3.47Å; V119-R123 WeakPolarHBondContact O-CA 3.31Å; V119-R123 PolarHBondContact O-N 2.9Å
124L76.3Confident74Confident14 Ų1492.2 Ų92.27%0.07345%0.454CS..  trans-73.6132.7-176.5-52.2-175.3000110L43 P69 L118 V119 F122 I126L43-L124 HydrophobicContact CD1-CD1 3.7Å; L43-L124 HydrophobicContact CD2-CD1 4.49Å; P69-L124 HydrophobicContact CB-CD2 3.25Å; P69-L124 HydrophobicContact CB-CG 4.37Å; P69-L124 HydrophobicContact CG-CD2 4.05Å; L118-L124 HydrophobicContact CB-CD1 4.28Å; V119-L124 HydrophobicContact CB-CB 4.43Å; V119-L124 HydrophobicContact CG2-CB 4.13Å; V119-L124 HydrophobicContact CG2-CD1 4.4Å; V119-L124 PolarHBondContact O-N 3.37Å; F122-L124 VanDerWaalsContact C-N 3.31Å; F122-L124 HydrophobicContact CB-CD1 4.49Å; F122-L124 HydrophobicContact CB-CD2 3.42Å; F122-L124 VanDerWaalsContact CB-CD2 3.42Å; F122-L124 HydrophobicContact CB-CG 3.83Å; F122-L124 PolarHBondContact O-N 3.3Å; L124-I126 HydrophobicContact CB-CD1 3.86Å; L124-I126 HydrophobicContact CB-CG1 3.99Å; L124-I126 HydrophobicContact CD1-CD1 3.82Å; L124-I126 HydrophobicContact CG-CD1 4.49Å; L124-I126 PolarHBondContact O-N 2.93Å
125P71.1Confident73.4Confident117 Ų11797.6 Ų97.676%0.7648%0.481SS*.  trans-7842.5177.834.8-37.2000111.8
126I72.9Confident72.7Confident25 Ų25103.6 Ų103.613%0.12851%0.51CS..  trans-93.8122179.9-58.9168.9000107.1V42 I108 L115 V119 L124 T128V42-I126 HydrophobicContact CG1-CD1 3.84Å; V42-I126 HydrophobicContact CG1-CG1 3.84Å; V42-I126 HydrophobicContact CG1-CG2 4.19Å; I108-I126 HydrophobicContact CD1-CD1 4.27Å; I108-I126 HydrophobicContact CD1-CG2 3.77Å; L115-I126 HydrophobicContact CD1-CD1 4.46Å; V119-I126 HydrophobicContact CG2-CB 4.14Å; V119-I126 HydrophobicContact CG2-CD1 4.37Å; L124-I126 HydrophobicContact CB-CD1 3.86Å; L124-I126 HydrophobicContact CB-CG1 3.99Å; L124-I126 HydrophobicContact CD1-CD1 3.82Å; L124-I126 HydrophobicContact CG-CD1 4.49Å; L124-I126 PolarHBondContact O-N 2.93Å; I126-T128 PolarHBondContact O-N 3.24Å; I126-T128 VanDerWaalsContact O-N 3.08Å
127Q61Low71.8Confident181 Ų181104.9 Ų104.985%0.84652%0.52SS*.  trans-66.9110.1170.9-69.5-173.4-17.200108.1R129Q127-R129 PolarHBondContact O-N 3.3Å
128T57.5Low70.7Confident49 Ų49107.6 Ų107.630%0.30154%0.538SS..  trans-75.5116.8163.439.70000107.3E111 L115 K116 I126 E130E111-T128 WeakPolarHBondContact OE1-CA 3.4Å; E111-T128 VanDerWaalsContact OE1-CB 3.25Å; E111-T128 WeakPolarHBondContact OE1-CB 3.24Å; E111-T128 WeakPolarHBondContact OE2-CB 3.37Å; L115-T128 HydrophobicContact CD2-CG2 4.01Å; L115-T128 HydrophobicContact CG-CG2 4.41Å; K116-T128 HydrophobicContact CG-CG2 4.28Å; I126-T128 PolarHBondContact O-N 3.24Å; I126-T128 VanDerWaalsContact O-N 3.08Å; T128-E130 PolarHBondContact O-N 2.95Å; T128-E130 VanDerWaalsContact O-N 3.1Å
129R54.8Low69.5Low208 Ų208115.9 Ų115.979%0.78558%0.58SS**  trans-70.899.1167.3-72.2-170.8175.1-174.1-0.5106.8E111 Q127 A131E111-R129 PolarHBondContact OE1-N 2.99Å; Q127-R129 PolarHBondContact O-N 3.3Å; R129-A131 PolarHBondContact O-N 3.05Å
130E50Low68.1Low172 Ų172123.7 Ų123.780%0.80462%0.616SS**  trans-51.9114.6164.2-67.7-176.1156.300108T128T128-E130 PolarHBondContact O-N 2.95Å; T128-E130 VanDerWaalsContact O-N 3.1Å
131A40.9Very low66.5Low167 Ų167121.5 Ų121.5100%1.3861%0.609SS**  trans-70.80170.200000110.2R129R129-A131 PolarHBondContact O-N 3.05Å

Retrieved 131 of 131 residues in 290.6 ms (Link to these results)

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