G4LZL1_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession G4LZL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M57.2Low87.2Confident189 Ų18999.2 Ų99.293%0.93150%0.501SS*.  0113.90-165.3171.1-70.900106.1D30M1-D30 WeakPolarHBondContact CA-OD2 3.16Å; M1-D30 VanDerWaalsContact CG-OD2 3.24Å; M1-D30 WeakPolarHBondContact CG-OD2 3.36Å
2K67.7Low88.1Confident136 Ų13697.8 Ų97.859%0.59149%0.491SS*.  trans-70.5135.5178.7-70.6169.1174.9178.20107.6Y4 D30K2-Y4 HydrophobicContact CB-CD2 4.31Å; K2-Y4 HydrophobicContact CB-CE1 4.36Å; K2-Y4 HydrophobicContact CB-CE2 3.72Å; K2-Y4 HydrophobicContact CD-CE1 4.43Å; K2-Y4 VanDerWaalsContact CD-OH 3.22Å; K2-Y4 WeakPolarHBondContact CD-OH 3.31Å; K2-Y4 WeakPolarHBondContact O-CD2 3.38Å; K2-Y4 PolarHBondContact O-N 3.14Å; K2-D30 WeakPolarHBondContact CB-OD1 3.42Å; K2-D30 PolarHBondContact N-OD1 3.41Å; K2-D30 VanDerWaalsContact N-OD1 3.16Å; K2-D30 PolarHBondContact N-OD2 2.89Å
3H78Confident88.9Confident193 Ų19390.6 Ų90.689%0.89446%0.455SS*.  trans-82.2101.7169.6-78.6-78.7000107.6
4Y82.6Confident89.5Confident51 Ų5188.5 Ų88.520%0.245%0.451CS..  trans-81.2132.9169.9-61.3-80.8000108.7K2 I6 V26 L29 D30 C78K2-Y4 HydrophobicContact CB-CD2 4.31Å; K2-Y4 HydrophobicContact CB-CE1 4.36Å; K2-Y4 HydrophobicContact CB-CE2 3.72Å; K2-Y4 HydrophobicContact CD-CE1 4.43Å; K2-Y4 VanDerWaalsContact CD-OH 3.22Å; K2-Y4 WeakPolarHBondContact CD-OH 3.31Å; K2-Y4 WeakPolarHBondContact O-CD2 3.38Å; K2-Y4 PolarHBondContact O-N 3.14Å; Y4-I6 PolarHBondContact O-N 2.85Å; Y4-V26 HydrophobicContact CD2-CG1 4.33Å; Y4-L29 HydrophobicContact CD1-CD1 4.4Å; Y4-L29 HydrophobicContact CE1-CB 4.27Å; Y4-L29 HydrophobicContact CE1-CD1 4.31Å; Y4-L29 HydrophobicContact CE2-CB 3.84Å; Y4-L29 HydrophobicContact CE2-CD1 4.44Å; Y4-L29 PolarHBondContact OH-O 3.23Å; Y4-D30 WeakPolarHBondContact CE2-OD1 3.04Å; Y4-D30 PolarHBondContact OH-OD1 2.79Å; Y4-C78 HydrophobicContact CD1-CB 4.41Å
5D89.3Confident90.1Very high128 Ų12890.3 Ų90.368%0.68447%0.469SS*.  trans-73112.1160.6-1705.9000107.3G79D5-G79 PolarHBondContact O-N 2.92Å; D5-G79 VanDerWaalsContact O-N 3.1Å
6I95.1Very high90.6Very high54 Ų5494.3 Ų94.328%0.27748%0.484SS..EExtended strand (participates in β ladder)trans-105.2114.5-174.7-58.6177.9000108.7Y4 L22 V26 H77Y4-I6 PolarHBondContact O-N 2.85Å; I6-L22 HydrophobicContact CG2-CD2 3.87Å; I6-V26 HydrophobicContact CD1-CG2 3.47Å; I6-V26 VanDerWaalsContact CD1-CG2 3.47Å; I6-H77 VanDerWaalsContact CA-O 3.3Å; I6-H77 WeakPolarHBondContact CA-O 3.39Å
7V97.1Very high91Very high75 Ų7593.5 Ų93.546%0.45547%0.473SS..EExtended strand (participates in β ladder)trans-109121.8173.5-178.60000108.4E9 I76 H77V7-E9 PolarHBondContact O-N 2.93Å; V7-I76 CarbonylContact O-C 3.46Å; V7-I76 WeakPolarHBondContact O-CA 3.48Å; V7-H77 HydrophobicContact CB-CB 4.32Å; V7-H77 PolarHBondContact N-O 3.21Å; V7-H77 PolarHBondContact O-N 3.47Å
8V98.1Very high91.4Very high46 Ų4691.9 Ų91.928%0.27946%0.463SS..EExtended strand (participates in β ladder)trans-89104.3173.7-178.80000107.8N11 L22 I74 I76V8-N11 HydrophobicContact CG1-CB 3.78Å; V8-L22 HydrophobicContact CG2-CD2 4.25Å; V8-I74 HydrophobicContact CG1-CD1 4.43Å; V8-I74 HydrophobicContact CG1-CG1 4.32Å; V8-I76 HydrophobicContact CB-CG2 4.37Å; V8-I76 HydrophobicContact CG1-CG2 4.26Å; V8-I76 HydrophobicContact CG2-CG2 3.98Å
9E97.2Very high91.8Very high120 Ų12091.4 Ų91.456%0.56147%0.465SS*.EExtended strand (participates in β ladder)trans-73.6-44.5-179.9-176.4174.1136.500111.2V7 Y75 H77V7-E9 PolarHBondContact O-N 2.93Å; E9-Y75 HydrophobicContact CB-CD1 3.7Å; E9-Y75 HydrophobicContact CB-CE1 4.2Å; E9-Y75 HydrophobicContact CB-CG 4.35Å; E9-Y75 VanDerWaalsContact CD-CD1 3.43Å; E9-Y75 HydrophobicContact CG-CD1 3.87Å; E9-Y75 HydrophobicContact CG-CE1 4.19Å; E9-Y75 PolarHBondContact N-O 3.24Å; E9-Y75 WeakPolarHBondContact OE1-CD1 3.37Å; E9-Y75 VanDerWaalsContact OE1-CE1 3.29Å; E9-Y75 WeakPolarHBondContact OE1-CE1 3.43Å; E9-Y75 WeakPolarHBondContact OE2-CE1 3.37Å; E9-H77 IonicContact OE2-CD2 3.26Å; E9-H77 IonicContact OE2-CE1 3.67Å; E9-H77 IonicContact OE2-NE2 3.76Å; E9-H77 PolarHBondContact OE2-NE2 3.39Å
10A98Very high92.1Very high38 Ų3888.6 Ų88.631%0.31445%0.452SS..EExtended strand (participates in β ladder)trans-145.9143.617800000111.1F73 I74 Y75A10-F73 HydrophobicContact CB-CE1 3.75Å; A10-I74 WeakPolarHBondContact O-CA 3.39Å; A10-I74 WeakPolarHBondContact O-CG1 3.47Å; A10-Y75 PolarHBondContact N-O 3.37Å; A10-Y75 PolarHBondContact O-N 2.99Å
11N98.5Very high92.4Very high61 Ų6184.3 Ų84.333%0.32643%0.431SS..EExtended strand (participates in β ladder)trans-151.3122.8-178.3173.884.3000111.5V8 L13 I74V8-N11 HydrophobicContact CG1-CB 3.78Å; N11-L13 PolarHBondContact ND2-O 3.26Å; N11-L13 PolarHBondContact OD1-N 3.39Å; N11-I74 HydrophobicContact CB-CG1 4.12Å; N11-I74 WeakPolarHBondContact OD1-CD1 3.41Å
12E98.6Very high94.4Very high82 Ų8277.2 Ų77.238%0.38340%0.396SS..  trans-111.7-8167.8-53.7-177.5-169.900112.2H68 K71 F73E12-H68 VanDerWaalsContact CD-NE2 3.33Å; E12-H68 IonicContact OE1-CD2 3.61Å; E12-H68 IonicContact OE1-CE1 3.67Å; E12-H68 IonicContact OE1-NE2 3.62Å; E12-H68 PolarHBondContact OE1-NE2 2.9Å; E12-H68 IonicContact OE2-CD2 2.66Å; E12-H68 IonicContact OE2-NE2 2.67Å; E12-H68 PolarHBondContact OE2-NE2 2.83Å; E12-K71 WeakPolarHBondContact O-CA 3.32Å; E12-K71 PolarHBondContact OE2-N 2.86Å; E12-F73 HydrophobicContact CB-CB 4.3Å; E12-F73 HydrophobicContact CG-CB 4.18Å; E12-F73 HydrophobicContact CG-CD1 4.46Å; E12-F73 PolarHBondContact N-O 2.96Å
13L98.5Very high95.8Very high5 Ų575 Ų753%0.02640%0.395CS..SBendtrans-64.3141.1178.6-60.7-176.6000111.3N11 R17 K18 A21 F46 W54 F73 I74N11-L13 PolarHBondContact ND2-O 3.26Å; N11-L13 PolarHBondContact OD1-N 3.39Å; L13-R17 HydrophobicContact CB-CB 4.17Å; L13-R17 HydrophobicContact CD1-CB 4.41Å; L13-K18 HydrophobicContact CB-CB 4.33Å; L13-A21 HydrophobicContact CD1-CB 4.09Å; L13-F46 HydrophobicContact CD1-CE1 4.33Å; L13-W54 HydrophobicContact CD2-CH2 3.75Å; L13-W54 HydrophobicContact CD2-CZ3 4.19Å; L13-F73 PolarHBondContact N-O 3.49Å; L13-I74 HydrophobicContact CD1-CB 3.79Å; L13-I74 HydrophobicContact CD1-CD1 4.33Å; L13-I74 HydrophobicContact CD1-CG2 3.62Å; L13-I74 HydrophobicContact CG-CB 4.03Å; L13-I74 HydrophobicContact CG-CG2 4.33Å
14P97.8Very high96.7Very high61 Ų6167.1 Ų67.140%0.39636%0.359SS..  trans-55.9151.1165.1-2332.6000111.6E16 R17 K18P14-E16 VanDerWaalsContact C-N 3.29Å; P14-E16 PolarHBondContact O-N 2.9Å; P14-E16 VanDerWaalsContact O-N 3.12Å; P14-R17 PolarHBondContact O-N 3.27Å; P14-K18 PolarHBondContact O-N 3.41Å
15T97.8Very high97.4Very high116 Ų11664.8 Ų64.871%0.71235%0.35SS*.Hα-helixtrans-48.2-46.2-174-53.20000113.7K18 T19T15-K18 PolarHBondContact O-N 3.11Å; T15-T19 PolarHBondContact O-N 3.29Å; T15-T19 PolarHBondContact O-OG1 3.16Å
16E97.4Very high97.7Very high153 Ų15360.1 Ų60.172%0.71533%0.326SS*.Hα-helixtrans-61-47.6179.1-171.7-174.2168.700111.8P14 K18 T19 T20P14-E16 VanDerWaalsContact C-N 3.29Å; P14-E16 PolarHBondContact O-N 2.9Å; P14-E16 VanDerWaalsContact O-N 3.12Å; E16-K18 PolarHBondContact O-N 3.1Å; E16-T19 PolarHBondContact O-N 3.43Å; E16-T20 PolarHBondContact O-N 3.45Å; E16-T20 PolarHBondContact O-OG1 3.4Å
17R98.1Very high97.8Very high81 Ų8162.3 Ų62.331%0.30634%0.335SS..Hα-helixtrans-68.3-34.6179.5-62.4-169.4-175.7166.2-2.1112.2L13 P14 T20 A21 Y50L13-R17 HydrophobicContact CB-CB 4.17Å; L13-R17 HydrophobicContact CD1-CB 4.41Å; P14-R17 PolarHBondContact O-N 3.27Å; R17-T20 PolarHBondContact O-N 3.07Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.15Å; R17-Y50 HydrophobicContact CG-CD1 4.44Å; R17-Y50 HydrophobicContact CG-CE1 3.84Å; R17-Y50 HydrophobicContact CG-CE2 4.3Å
18K98.6Very high97.8Very high66 Ų6658.8 Ų58.829%0.28731%0.313SS..Hα-helixtrans-59.9-49.3171.4178.9-177179.4177.60110.5L13 P14 T15 E16 T20 A21 L22 I74L13-K18 HydrophobicContact CB-CB 4.33Å; P14-K18 PolarHBondContact O-N 3.41Å; T15-K18 PolarHBondContact O-N 3.11Å; E16-K18 PolarHBondContact O-N 3.1Å; K18-T20 VanDerWaalsContact C-N 3.3Å; K18-T20 PolarHBondContact O-N 3Å; K18-A21 WeakPolarHBondContact O-CB 3.43Å; K18-A21 PolarHBondContact O-N 2.91Å; K18-A21 VanDerWaalsContact O-N 3.12Å; K18-L22 HydrophobicContact CG-CD1 4.37Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 3.39Å; K18-I74 HydrophobicContact CG-CD1 3.99Å
19T98.1Very high97.7Very high81 Ų8157.6 Ų57.650%0.49731%0.305SS..Hα-helixtrans-60-41.7177.7-62.90000111.7T15 E16 L22 T23T15-T19 PolarHBondContact O-N 3.29Å; T15-T19 PolarHBondContact O-OG1 3.16Å; E16-T19 PolarHBondContact O-N 3.43Å; T19-L22 PolarHBondContact O-N 3.37Å; T19-T23 WeakPolarHBondContact O-CB 3.42Å; T19-T23 PolarHBondContact O-N 3.01Å; T19-T23 PolarHBondContact O-OG1 2.86Å
20T98.5Very high97.6Very high35 Ų3554.4 Ų54.422%0.21529%0.292CS..Hα-helixtrans-61.2-44.6172.9-58.40000112E16 R17 K18 L22 T23 L24 L49 Y50E16-T20 PolarHBondContact O-N 3.45Å; E16-T20 PolarHBondContact O-OG1 3.4Å; R17-T20 PolarHBondContact O-N 3.07Å; K18-T20 VanDerWaalsContact C-N 3.3Å; K18-T20 PolarHBondContact O-N 3Å; T20-L22 PolarHBondContact O-N 3.16Å; T20-T23 PolarHBondContact O-N 2.82Å; T20-L24 HydrophobicContact CG2-CD1 3.77Å; T20-L24 HydrophobicContact CG2-CG 4.29Å; T20-L24 WeakPolarHBondContact O-CB 3.36Å; T20-L24 WeakPolarHBondContact O-CG 3.22Å; T20-L24 PolarHBondContact O-N 2.67Å; T20-L49 HydrophobicContact CG2-CD1 3.9Å; T20-Y50 WeakPolarHBondContact CB-OH 3.44Å; T20-Y50 HydrophobicContact CG2-CE2 4.43Å; T20-Y50 PolarHBondContact OG1-OH 2.99Å
21A98.7Very high97.5Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-57.5-49.3177.500000111.7L13 R17 K18 L24 C25 M42 F46 I74 L85L13-A21 HydrophobicContact CD1-CB 4.09Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.15Å; K18-A21 WeakPolarHBondContact O-CB 3.43Å; K18-A21 PolarHBondContact O-N 2.91Å; K18-A21 VanDerWaalsContact O-N 3.12Å; A21-L24 PolarHBondContact O-N 3.43Å; A21-C25 VanDerWaalsContact O-CB 3.24Å; A21-C25 WeakPolarHBondContact O-CB 3.43Å; A21-C25 PolarHBondContact O-N 2.94Å; A21-M42 WeakPolarHBondContact O-CE 3.36Å; A21-F46 HydrophobicContact CB-CE2 4.17Å; A21-F46 HydrophobicContact CB-CZ 3.6Å; A21-I74 HydrophobicContact CB-CD1 4.32Å; A21-I74 HydrophobicContact CB-CG2 4.33Å; A21-L85 HydrophobicContact CB-CD2 4.35Å
22L97.8Very high97.5Very high40 Ų4060.4 Ų60.421%0.20930%0.304CS..Hα-helixtrans-64.4-42.7-179.4-64.3-178000111.9I6 V8 K18 T19 T20 C25 V26 I76I6-L22 HydrophobicContact CG2-CD2 3.87Å; V8-L22 HydrophobicContact CG2-CD2 4.25Å; K18-L22 HydrophobicContact CG-CD1 4.37Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 3.39Å; T19-L22 PolarHBondContact O-N 3.37Å; T20-L22 PolarHBondContact O-N 3.16Å; L22-C25 PolarHBondContact O-N 3.44Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 2.94Å; L22-I76 HydrophobicContact CD2-CD1 4.02Å; L22-I76 HydrophobicContact CD2-CG2 4Å
23T96.9Very high97.2Very high90 Ų9064.9 Ų64.955%0.55232%0.324SS*.Hα-helixtrans-63.8-46.4179.2-56.70000111.4T19 T20 C25 H27T19-T23 WeakPolarHBondContact O-CB 3.42Å; T19-T23 PolarHBondContact O-N 3.01Å; T19-T23 PolarHBondContact O-OG1 2.86Å; T20-T23 PolarHBondContact O-N 2.82Å; T23-C25 VanDerWaalsContact C-N 3.34Å; T23-H27 WeakPolarHBondContact O-CB 3.24Å; T23-H27 PolarHBondContact O-N 3.35Å; T23-H27 VanDerWaalsContact O-N 3.12Å
24L98.2Very high97.2Very high27 Ų2767.4 Ų67.414%0.14134%0.34CS..Hα-helixtrans-66.2-37.4177.2-71.3174.5000111.7T20 A21 H27 A28 F41 M42 N45 F46 L49T20-L24 HydrophobicContact CG2-CD1 3.77Å; T20-L24 HydrophobicContact CG2-CG 4.29Å; T20-L24 WeakPolarHBondContact O-CB 3.36Å; T20-L24 WeakPolarHBondContact O-CG 3.22Å; T20-L24 PolarHBondContact O-N 2.67Å; A21-L24 PolarHBondContact O-N 3.43Å; L24-H27 PolarHBondContact O-N 2.98Å; L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.14Å; L24-A28 PolarHBondContact O-N 3.35Å; L24-F41 HydrophobicContact CB-CE1 4.18Å; L24-F41 HydrophobicContact CD2-CE1 3.88Å; L24-F41 HydrophobicContact CD2-CZ 3.98Å; L24-M42 HydrophobicContact CB-CE 4.18Å; L24-M42 HydrophobicContact CB-SD 3.55Å; L24-M42 VanDerWaalsContact CB-SD 3.55Å; L24-N45 HydrophobicContact CD1-CB 3.72Å; L24-N45 HydrophobicContact CD2-CB 4.39Å; L24-F46 HydrophobicContact CD1-CD2 4.07Å; L24-F46 HydrophobicContact CD1-CE2 3.77Å; L24-L49 HydrophobicContact CD1-CD1 4.32Å
25C97.4Very high97.2Very high1 Ų168.3 Ų68.31%0.00734%0.339CS..Hα-helixtrans-60.9-52.2177.7-1770000111.3A21 L22 T23 H27 A28 L29 M42 I76 C78A21-C25 VanDerWaalsContact O-CB 3.24Å; A21-C25 WeakPolarHBondContact O-CB 3.43Å; A21-C25 PolarHBondContact O-N 2.94Å; L22-C25 PolarHBondContact O-N 3.44Å; T23-C25 VanDerWaalsContact C-N 3.34Å; C25-H27 VanDerWaalsContact C-N 3.32Å; C25-H27 PolarHBondContact O-N 3.38Å; C25-A28 PolarHBondContact O-N 3.37Å; C25-A28 VanDerWaalsContact O-N 3.16Å; C25-L29 WeakPolarHBondContact O-CG 3.43Å; C25-L29 PolarHBondContact O-N 3.39Å; C25-M42 HydrophobicContact CB-CE 4.02Å; C25-M42 HydrophobicContact CB-SD 4.34Å; C25-M42 PolarHBondContact N-SD 3Å; C25-M42 VanDerWaalsContact N-SD 3.41Å; C25-I76 HydrophobicContact CB-CD1 3.88Å; C25-C78 VanDerWaalsContact SG-SG 3.63Å
26V95.6Very high97.2Very high31 Ų3169.9 Ų69.919%0.18834%0.336CS..Hα-helixtrans-59.3-44.6178.3173.10000111.1Y4 I6 L22 A28 L29 D30Y4-V26 HydrophobicContact CD2-CG1 4.33Å; I6-V26 HydrophobicContact CD1-CG2 3.47Å; I6-V26 VanDerWaalsContact CD1-CG2 3.47Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 2.94Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.04Å; V26-L29 PolarHBondContact O-N 2.85Å; V26-D30 WeakPolarHBondContact O-CB 3.33Å; V26-D30 PolarHBondContact O-N 2.83Å
27H96.1Very high97.2Very high100 Ų10065.4 Ų65.446%0.46332%0.317SS..Hα-helixtrans-61-43.4177.2-179.476.7000112.1T23 L24 C25 D30 Y31 F41T23-H27 WeakPolarHBondContact O-CB 3.24Å; T23-H27 PolarHBondContact O-N 3.35Å; T23-H27 VanDerWaalsContact O-N 3.12Å; L24-H27 PolarHBondContact O-N 2.98Å; C25-H27 VanDerWaalsContact C-N 3.32Å; C25-H27 PolarHBondContact O-N 3.38Å; H27-D30 PolarHBondContact O-N 3.04Å; H27-Y31 WeakPolarHBondContact O-CB 3.32Å; H27-Y31 PolarHBondContact O-N 3.33Å; H27-F41 AromaticContact CD2-CZ 3.52Å
28A97.7Very high97.3Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-64.9-45179.800000111.7L24 C25 V26 D30 Y31 Y32 V38 F41 M42L24-A28 VanDerWaalsContact O-CB 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.14Å; L24-A28 PolarHBondContact O-N 3.35Å; C25-A28 PolarHBondContact O-N 3.37Å; C25-A28 VanDerWaalsContact O-N 3.16Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.04Å; A28-D30 VanDerWaalsContact C-N 3.3Å; A28-D30 PolarHBondContact O-N 3.08Å; A28-Y31 PolarHBondContact O-N 3.43Å; A28-Y32 HydrophobicContact CB-CD2 4.26Å; A28-Y32 WeakPolarHBondContact O-CB 3.23Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.42Å; A28-V38 HydrophobicContact CB-CB 4.42Å; A28-V38 HydrophobicContact CB-CG1 3.82Å; A28-V38 HydrophobicContact CB-CG2 4.45Å; A28-F41 HydrophobicContact CB-CD1 3.5Å; A28-F41 VanDerWaalsContact CB-CD1 3.5Å; A28-F41 HydrophobicContact CB-CE1 3.96Å; A28-F41 HydrophobicContact CB-CG 4.22Å; A28-M42 HydrophobicContact CB-CG 4.38Å; A28-M42 HydrophobicContact CB-SD 4.44Å
29L96Very high97.3Very high21 Ų2159.2 Ų59.211%0.1130%0.295CS..Hα-helixtrans-66.7-30.2178.3-69.2170.9000112.9Y4 C25 V26 V38 C78 V81Y4-L29 HydrophobicContact CD1-CD1 4.4Å; Y4-L29 HydrophobicContact CE1-CB 4.27Å; Y4-L29 HydrophobicContact CE1-CD1 4.31Å; Y4-L29 HydrophobicContact CE2-CB 3.84Å; Y4-L29 HydrophobicContact CE2-CD1 4.44Å; Y4-L29 PolarHBondContact OH-O 3.23Å; C25-L29 WeakPolarHBondContact O-CG 3.43Å; C25-L29 PolarHBondContact O-N 3.39Å; V26-L29 PolarHBondContact O-N 2.85Å; L29-V38 HydrophobicContact CD2-CG1 4.12Å; L29-V38 HydrophobicContact CD2-CG2 4.12Å; L29-V38 HydrophobicContact CG-CG1 4.41Å; L29-C78 HydrophobicContact CD1-CB 3.5Å; L29-C78 VanDerWaalsContact CD1-CB 3.5Å; L29-V81 HydrophobicContact CD1-CG1 4.44Å; L29-V81 HydrophobicContact CD2-CG1 3.84Å
30D95Very high97.3Very high53 Ų5359.7 Ų59.728%0.28329%0.293SS..Hα-helixtrans-75.3-33.1175-90.5-1.8000112.9M1 K2 Y4 V26 H27 A28M1-D30 WeakPolarHBondContact CA-OD2 3.16Å; M1-D30 VanDerWaalsContact CG-OD2 3.24Å; M1-D30 WeakPolarHBondContact CG-OD2 3.36Å; K2-D30 WeakPolarHBondContact CB-OD1 3.42Å; K2-D30 PolarHBondContact N-OD1 3.41Å; K2-D30 VanDerWaalsContact N-OD1 3.16Å; K2-D30 PolarHBondContact N-OD2 2.89Å; Y4-D30 WeakPolarHBondContact CE2-OD1 3.04Å; Y4-D30 PolarHBondContact OH-OD1 2.79Å; V26-D30 WeakPolarHBondContact O-CB 3.33Å; V26-D30 PolarHBondContact O-N 2.83Å; H27-D30 PolarHBondContact O-N 3.04Å; A28-D30 VanDerWaalsContact C-N 3.3Å; A28-D30 PolarHBondContact O-N 3.08Å
31Y96.6Very high97.3Very high156 Ų15659.4 Ų59.461%0.61229%0.288SS*.Hα-helixtrans-94.8-38.4-173.2-170.8-93.5000113.9H27 A28H27-Y31 WeakPolarHBondContact O-CB 3.32Å; H27-Y31 PolarHBondContact O-N 3.33Å; A28-Y31 PolarHBondContact O-N 3.43Å
32Y97.1Very high97.3Very high70 Ų7059.4 Ų59.428%0.27529%0.288SS..  trans-100.9150.3-176.7-60.2-76.9000111.2A28 D37 F41A28-Y32 HydrophobicContact CB-CD2 4.26Å; A28-Y32 WeakPolarHBondContact O-CB 3.23Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.42Å; Y32-D37 HydrophobicContact CD1-CB 3.63Å; Y32-D37 HydrophobicContact CE1-CB 4.46Å; Y32-D37 HydrophobicContact CG-CB 3.85Å; Y32-F41 HydrophobicContact CD2-CB 4.2Å; Y32-F41 HydrophobicContact CD2-CG 4.41Å; Y32-F41 HydrophobicContact CE2-CB 3.65Å; Y32-F41 HydrophobicContact CE2-CD1 4.47Å; Y32-F41 AromaticContact CE2-CD2 3.51Å; Y32-F41 HydrophobicContact CE2-CD2 3.51Å; Y32-F41 HydrophobicContact CE2-CE2 4.26Å; Y32-F41 AromaticContact CE2-CG 3.62Å; Y32-F41 HydrophobicContact CE2-CG 3.62Å; Y32-F41 AromaticContact CZ-CD2 3.9Å; Y32-F41 WeakPolarHBondContact OH-CD2 3.36Å
33H93.7Very high97.4Very high176 Ų17660.7 Ų60.782%0.81529%0.292SS*.SBendtrans-109.6-5.8-175.4-58.9-42.1000113.7
34T97Very high97.5Very high58 Ų5864 Ų6436%0.35630%0.299SS..SBendtrans-121.1143176.777.20000110.1K36 D37 V38T34-K36 PolarHBondContact O-N 2.85Å; T34-D37 PolarHBondContact O-N 2.73Å; T34-D37 VanDerWaalsContact O-N 3.1Å; T34-D37 WeakPolarHBondContact OG1-CB 3.43Å; T34-D37 PolarHBondContact OG1-N 3.38Å; T34-D37 VanDerWaalsContact OG1-N 3.14Å; T34-D37 PolarHBondContact OG1-OD2 3.12Å; T34-V38 WeakPolarHBondContact O-CG2 3.24Å; T34-V38 PolarHBondContact O-N 2.8Å; T34-V38 VanDerWaalsContact O-N 3.11Å
35E97.8Very high97.5Very high79 Ų7964.5 Ų64.537%0.36930%0.302SS..Hα-helixtrans-57.9-36.5176.9-61.191.3154.700110.8D37 V38 A39 V58 H60 V81E35-D37 PolarHBondContact O-N 2.94Å; E35-V38 PolarHBondContact O-N 3.05Å; E35-A39 WeakPolarHBondContact O-CB 3.21Å; E35-A39 PolarHBondContact O-N 3.28Å; E35-V58 HydrophobicContact CB-CB 3.95Å; E35-V58 HydrophobicContact CB-CG1 3.76Å; E35-V58 HydrophobicContact CG-CG1 3.96Å; E35-H60 IonicContact OE1-CD2 3.68Å; E35-H60 IonicContact OE1-NE2 2.79Å; E35-V81 HydrophobicContact CG-CG2 4.3Å
36K98.3Very high97.6Very high150 Ų15064.5 Ų64.565%0.65230%0.302SS*.Hα-helixtrans-60.2-45.9176.1-171.1-173.6174.3-179.80111.8T34 A39 M40T34-K36 PolarHBondContact O-N 2.85Å; K36-A39 PolarHBondContact O-N 2.83Å; K36-M40 HydrophobicContact CD-CE 4.41Å; K36-M40 HydrophobicContact CG-CE 4.02Å; K36-M40 HydrophobicContact CG-SD 4.48Å; K36-M40 WeakPolarHBondContact O-CB 3.33Å; K36-M40 VanDerWaalsContact O-CG 3.31Å; K36-M40 WeakPolarHBondContact O-CG 3.44Å; K36-M40 PolarHBondContact O-N 3.13Å
37D98.7Very high97.7Very high58 Ų5864.4 Ų64.431%0.3130%0.3SS..Hα-helixtrans-68.9-38.6-179.5-67.2-32.6000111.7Y32 T34 E35 M40 F41Y32-D37 HydrophobicContact CD1-CB 3.63Å; Y32-D37 HydrophobicContact CE1-CB 4.46Å; Y32-D37 HydrophobicContact CG-CB 3.85Å; T34-D37 PolarHBondContact O-N 2.73Å; T34-D37 VanDerWaalsContact O-N 3.1Å; T34-D37 WeakPolarHBondContact OG1-CB 3.43Å; T34-D37 PolarHBondContact OG1-N 3.38Å; T34-D37 VanDerWaalsContact OG1-N 3.14Å; T34-D37 PolarHBondContact OG1-OD2 3.12Å; E35-D37 PolarHBondContact O-N 2.94Å; D37-M40 HydrophobicContact CB-CE 4.49Å; D37-M40 PolarHBondContact O-N 2.81Å; D37-M40 WeakPolarHBondContact OD1-CE 3.49Å; D37-F41 WeakPolarHBondContact O-CB 3.28Å; D37-F41 PolarHBondContact O-N 2.8Å
38V98.6Very high97.8Very high4 Ų468 Ų682%0.02432%0.315CS..Hα-helixtrans-59.1-50.2172.3176.90000110.2A28 L29 T34 E35 M40 F41 M42 V58 L83A28-V38 HydrophobicContact CB-CB 4.42Å; A28-V38 HydrophobicContact CB-CG1 3.82Å; A28-V38 HydrophobicContact CB-CG2 4.45Å; L29-V38 HydrophobicContact CD2-CG1 4.12Å; L29-V38 HydrophobicContact CD2-CG2 4.12Å; L29-V38 HydrophobicContact CG-CG1 4.41Å; T34-V38 WeakPolarHBondContact O-CG2 3.24Å; T34-V38 PolarHBondContact O-N 2.8Å; T34-V38 VanDerWaalsContact O-N 3.11Å; E35-V38 PolarHBondContact O-N 3.05Å; V38-M40 PolarHBondContact O-N 2.91Å; V38-F41 PolarHBondContact O-N 2.8Å; V38-M42 HydrophobicContact CG1-CG 4.41Å; V38-M42 WeakPolarHBondContact O-CB 3.23Å; V38-M42 WeakPolarHBondContact O-CG 3.5Å; V38-M42 PolarHBondContact O-N 2.77Å; V38-V58 HydrophobicContact CB-CG2 4.37Å; V38-V58 HydrophobicContact CG1-CG1 4.35Å; V38-V58 HydrophobicContact CG1-CG2 3.96Å; V38-L83 HydrophobicContact CG1-CD1 4.32Å
39A98.9Very high97.9Very high14 Ų1472.6 Ų72.612%0.11634%0.338CS..Hα-helixtrans-59.8-45.3178.900000112.1E35 K36 M42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.21Å; E35-A39 PolarHBondContact O-N 3.28Å; K36-A39 PolarHBondContact O-N 2.83Å; A39-M42 PolarHBondContact O-N 3.01Å; A39-K43 WeakPolarHBondContact O-CB 3.4Å; A39-K43 PolarHBondContact O-N 3.29Å; A39-C56 HydrophobicContact CB-CB 4.37Å; A39-C56 WeakPolarHBondContact O-CB 3.37Å; A39-V58 HydrophobicContact CB-CB 4.35Å; A39-V58 HydrophobicContact CB-CG2 3.84Å
40M98.8Very high97.9Very high91 Ų9174.2 Ų74.245%0.44834%0.343SS..Hα-helixtrans-62.9-42.7177.3-74.4-173-60.400112.1K36 D37 V38 K44K36-M40 HydrophobicContact CD-CE 4.41Å; K36-M40 HydrophobicContact CG-CE 4.02Å; K36-M40 HydrophobicContact CG-SD 4.48Å; K36-M40 WeakPolarHBondContact O-CB 3.33Å; K36-M40 VanDerWaalsContact O-CG 3.31Å; K36-M40 WeakPolarHBondContact O-CG 3.44Å; K36-M40 PolarHBondContact O-N 3.13Å; D37-M40 HydrophobicContact CB-CE 4.49Å; D37-M40 PolarHBondContact O-N 2.81Å; D37-M40 WeakPolarHBondContact OD1-CE 3.49Å; V38-M40 PolarHBondContact O-N 2.91Å; M40-K44 VanDerWaalsContact O-CB 3.23Å; M40-K44 WeakPolarHBondContact O-CB 3.39Å; M40-K44 PolarHBondContact O-N 2.76Å
41F98.9Very high98Very high29 Ų2972.9 Ų72.913%0.12734%0.342CS..Hα-helixtrans-61.1-47.6176.2174-90.3000111.5L24 H27 A28 Y32 D37 V38 K44 N45L24-F41 HydrophobicContact CB-CE1 4.18Å; L24-F41 HydrophobicContact CD2-CE1 3.88Å; L24-F41 HydrophobicContact CD2-CZ 3.98Å; H27-F41 AromaticContact CD2-CZ 3.52Å; A28-F41 HydrophobicContact CB-CD1 3.5Å; A28-F41 VanDerWaalsContact CB-CD1 3.5Å; A28-F41 HydrophobicContact CB-CE1 3.96Å; A28-F41 HydrophobicContact CB-CG 4.22Å; Y32-F41 HydrophobicContact CD2-CB 4.2Å; Y32-F41 HydrophobicContact CD2-CG 4.41Å; Y32-F41 HydrophobicContact CE2-CB 3.65Å; Y32-F41 HydrophobicContact CE2-CD1 4.47Å; Y32-F41 AromaticContact CE2-CD2 3.51Å; Y32-F41 HydrophobicContact CE2-CD2 3.51Å; Y32-F41 HydrophobicContact CE2-CE2 4.26Å; Y32-F41 AromaticContact CE2-CG 3.62Å; Y32-F41 HydrophobicContact CE2-CG 3.62Å; Y32-F41 AromaticContact CZ-CD2 3.9Å; Y32-F41 WeakPolarHBondContact OH-CD2 3.36Å; D37-F41 WeakPolarHBondContact O-CB 3.28Å; D37-F41 PolarHBondContact O-N 2.8Å; V38-F41 PolarHBondContact O-N 2.8Å; F41-K44 PolarHBondContact O-N 3.32Å; F41-N45 WeakPolarHBondContact CD2-ND2 3.41Å; F41-N45 WeakPolarHBondContact CE2-ND2 3.47Å; F41-N45 VanDerWaalsContact CZ-ND2 3.28Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.32Å; F41-N45 PolarHBondContact O-N 3.31Å; F41-N45 PolarHBondContact O-ND2 3.01Å
42M98.8Very high98Very high0 Ų069.3 Ų69.30%034%0.338CS..Hα-helixtrans-63.1-50.9-178-72.3-66.8-67.200111.3A21 L24 C25 A28 V38 A39 K44 N45 F46 C56 L83 L85A21-M42 WeakPolarHBondContact O-CE 3.36Å; L24-M42 HydrophobicContact CB-CE 4.18Å; L24-M42 HydrophobicContact CB-SD 3.55Å; L24-M42 VanDerWaalsContact CB-SD 3.55Å; C25-M42 HydrophobicContact CB-CE 4.02Å; C25-M42 HydrophobicContact CB-SD 4.34Å; C25-M42 PolarHBondContact N-SD 3Å; C25-M42 VanDerWaalsContact N-SD 3.41Å; A28-M42 HydrophobicContact CB-CG 4.38Å; A28-M42 HydrophobicContact CB-SD 4.44Å; V38-M42 HydrophobicContact CG1-CG 4.41Å; V38-M42 WeakPolarHBondContact O-CB 3.23Å; V38-M42 WeakPolarHBondContact O-CG 3.5Å; V38-M42 PolarHBondContact O-N 2.77Å; A39-M42 PolarHBondContact O-N 3.01Å; M42-K44 PolarHBondContact O-N 3.47Å; M42-N45 PolarHBondContact O-N 2.92Å; M42-F46 HydrophobicContact CE-CE2 4.35Å; M42-F46 WeakPolarHBondContact O-CD2 3.45Å; M42-F46 PolarHBondContact O-N 3.1Å; M42-C56 HydrophobicContact CB-CB 4.2Å; M42-L83 HydrophobicContact CE-CD1 4.06Å; M42-L83 HydrophobicContact CE-CD2 4.33Å; M42-L83 HydrophobicContact CG-CD1 3.87Å; M42-L85 HydrophobicContact CE-CD2 4.17Å
43K98.8Very high98Very high67 Ų6768.9 Ų68.929%0.29134%0.343SS..Hα-helixtrans-52.9-53.5173.7176.9-176.6-175.6-56.50111.6A39 N45 F46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.4Å; A39-K43 PolarHBondContact O-N 3.29Å; K43-N45 VanDerWaalsContact C-N 3.32Å; K43-N45 PolarHBondContact O-N 3.37Å; K43-F46 PolarHBondContact O-N 3.35Å; K43-D47 IonicContact NZ-OD2 3.55Å; K43-D47 PolarHBondContact NZ-OD2 3.12Å; K43-D47 WeakPolarHBondContact O-CB 3.41Å; K43-D47 PolarHBondContact O-N 2.84Å; K43-W54 WeakPolarHBondContact CE-O 3.45Å; K43-W54 WeakPolarHBondContact CG-O 3.42Å; K43-C56 HydrophobicContact CB-CB 4.2Å
44K98.7Very high98.2Very high158 Ų15860.5 Ų60.569%0.68730%0.304SS*.Hα-helixtrans-60.6-40.5-175.4-178.2179.1178.2-179.40112.4M40 F41 M42 K48M40-K44 VanDerWaalsContact O-CB 3.23Å; M40-K44 WeakPolarHBondContact O-CB 3.39Å; M40-K44 PolarHBondContact O-N 2.76Å; F41-K44 PolarHBondContact O-N 3.32Å; M42-K44 PolarHBondContact O-N 3.47Å; K44-K48 WeakPolarHBondContact O-CB 3.28Å; K44-K48 PolarHBondContact O-N 2.98Å; K44-K48 VanDerWaalsContact O-N 3.08Å
45N98.8Very high98.3Very high39 Ų3961.2 Ų61.221%0.20930%0.303CS..Hα-helixtrans-70.5-39.9178.6-79.2-79.1000111.8L24 F41 M42 K43 K48 L49L24-N45 HydrophobicContact CD1-CB 3.72Å; L24-N45 HydrophobicContact CD2-CB 4.39Å; F41-N45 WeakPolarHBondContact CD2-ND2 3.41Å; F41-N45 WeakPolarHBondContact CE2-ND2 3.47Å; F41-N45 VanDerWaalsContact CZ-ND2 3.28Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.32Å; F41-N45 PolarHBondContact O-N 3.31Å; F41-N45 PolarHBondContact O-ND2 3.01Å; M42-N45 PolarHBondContact O-N 2.92Å; K43-N45 VanDerWaalsContact C-N 3.32Å; K43-N45 PolarHBondContact O-N 3.37Å; N45-K48 PolarHBondContact O-N 2.84Å; N45-L49 WeakPolarHBondContact O-CB 3.48Å; N45-L49 VanDerWaalsContact O-CG 3.27Å; N45-L49 WeakPolarHBondContact O-CG 3.24Å; N45-L49 PolarHBondContact O-N 3.39Å
46F98.7Very high98.4Very high0 Ų058.2 Ų58.20%029%0.291CS..Hα-helixtrans-68.7-41.2176.7-91.9-105.5000112.8L13 A21 L24 M42 K43 K48 L49 Y50 W54 L85L13-F46 HydrophobicContact CD1-CE1 4.33Å; A21-F46 HydrophobicContact CB-CE2 4.17Å; A21-F46 HydrophobicContact CB-CZ 3.6Å; L24-F46 HydrophobicContact CD1-CD2 4.07Å; L24-F46 HydrophobicContact CD1-CE2 3.77Å; M42-F46 HydrophobicContact CE-CE2 4.35Å; M42-F46 WeakPolarHBondContact O-CD2 3.45Å; M42-F46 PolarHBondContact O-N 3.1Å; K43-F46 PolarHBondContact O-N 3.35Å; F46-K48 VanDerWaalsContact C-N 3.25Å; F46-K48 PolarHBondContact O-N 3.39Å; F46-L49 PolarHBondContact O-N 3.47Å; F46-Y50 HydrophobicContact CB-CD2 4.49Å; F46-Y50 AromaticContact CD1-CD2 3.48Å; F46-Y50 HydrophobicContact CD1-CD2 3.48Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.48Å; F46-Y50 AromaticContact CD1-CE2 3.76Å; F46-Y50 HydrophobicContact CD1-CE2 3.76Å; F46-Y50 AromaticContact CE1-CD2 3.76Å; F46-Y50 HydrophobicContact CE1-CD2 3.76Å; F46-Y50 AromaticContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CG-CD2 4.1Å; F46-Y50 HydrophobicContact CG-CE2 4.36Å; F46-Y50 HydrophobicContact CZ-CE2 4.04Å; F46-Y50 PolarHBondContact O-N 3.47Å; F46-W54 HydrophobicContact CB-CB 4.04Å; F46-W54 HydrophobicContact CB-CD2 3.79Å; F46-W54 HydrophobicContact CB-CE3 4.31Å; F46-W54 HydrophobicContact CB-CG 3.63Å; F46-W54 AromaticContact CD1-CD2 3.81Å; F46-W54 HydrophobicContact CD1-CD2 3.81Å; F46-W54 AromaticContact CD1-CE2 3.83Å; F46-W54 AromaticContact CD1-CE3 3.79Å; F46-W54 HydrophobicContact CD1-CE3 3.79Å; F46-W54 AromaticContact CD1-CH2 3.87Å; F46-W54 HydrophobicContact CD1-CH2 3.87Å; F46-W54 AromaticContact CD1-CZ2 3.88Å; F46-W54 HydrophobicContact CD1-CZ2 3.88Å; F46-W54 AromaticContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CE1-CH2 4.22Å; F46-W54 HydrophobicContact CE1-CZ3 4.27Å; F46-W54 HydrophobicContact CG-CD2 4.23Å; F46-W54 HydrophobicContact CG-CE3 4.36Å; F46-L85 HydrophobicContact CB-CD1 4.45Å; F46-L85 HydrophobicContact CD1-CD2 3.73Å; F46-L85 HydrophobicContact CD1-CG 4.44Å; F46-L85 HydrophobicContact CD2-CD1 4.46Å; F46-L85 HydrophobicContact CD2-CD2 3.66Å; F46-L85 HydrophobicContact CE1-CD2 3.61Å; F46-L85 HydrophobicContact CE2-CD2 3.51Å; F46-L85 HydrophobicContact CG-CD1 4.25Å; F46-L85 HydrophobicContact CG-CD2 3.79Å; F46-L85 HydrophobicContact CG-CG 4.49Å; F46-L85 HydrophobicContact CZ-CD2 3.52Å
47D98.6Very high98.4Very high30 Ų3054.5 Ų54.516%0.1628%0.277CS..Hα-helixtrans-56.6-41.9170.8-77.8-22.1000111.2K43 G51 P52 W54K43-D47 IonicContact NZ-OD2 3.55Å; K43-D47 PolarHBondContact NZ-OD2 3.12Å; K43-D47 WeakPolarHBondContact O-CB 3.41Å; K43-D47 PolarHBondContact O-N 2.84Å; D47-G51 CarbonylContact O-C 3.44Å; D47-G51 WeakPolarHBondContact O-CA 3.39Å; D47-G51 PolarHBondContact O-N 2.8Å; D47-P52 WeakPolarHBondContact OD1-CA 3.44Å; D47-W54 WeakPolarHBondContact OD1-CB 3.15Å; D47-W54 PolarHBondContact OD1-N 2.98Å
48K98.6Very high98.4Very high176 Ų17652.6 Ų52.677%0.76527%0.268SS*.Hα-helixtrans-69.5-41.1179.8-176.5-179.2177.2-174.20112.9K44 N45 F46K44-K48 WeakPolarHBondContact O-CB 3.28Å; K44-K48 PolarHBondContact O-N 2.98Å; K44-K48 VanDerWaalsContact O-N 3.08Å; N45-K48 PolarHBondContact O-N 2.84Å; F46-K48 VanDerWaalsContact C-N 3.25Å; F46-K48 PolarHBondContact O-N 3.39Å
49L98.5Very high98.3Very high95 Ų9553 Ų5350%0.49727%0.273SS..Hα-helixtrans-82.9-36-174.4-70.9170.5000112.8T20 L24 N45 F46T20-L49 HydrophobicContact CG2-CD1 3.9Å; L24-L49 HydrophobicContact CD1-CD1 4.32Å; N45-L49 WeakPolarHBondContact O-CB 3.48Å; N45-L49 VanDerWaalsContact O-CG 3.27Å; N45-L49 WeakPolarHBondContact O-CG 3.24Å; N45-L49 PolarHBondContact O-N 3.39Å; F46-L49 PolarHBondContact O-N 3.47Å
50Y97.5Very high98.2Very high55 Ų5557.3 Ų57.322%0.21629%0.291CS..Hα-helixtrans-127.16.3-167.8-51.3-58.8000113.5R17 T20 F46 W54R17-Y50 HydrophobicContact CG-CD1 4.44Å; R17-Y50 HydrophobicContact CG-CE1 3.84Å; R17-Y50 HydrophobicContact CG-CE2 4.3Å; T20-Y50 WeakPolarHBondContact CB-OH 3.44Å; T20-Y50 HydrophobicContact CG2-CE2 4.43Å; T20-Y50 PolarHBondContact OG1-OH 2.99Å; F46-Y50 HydrophobicContact CB-CD2 4.49Å; F46-Y50 AromaticContact CD1-CD2 3.48Å; F46-Y50 HydrophobicContact CD1-CD2 3.48Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.48Å; F46-Y50 AromaticContact CD1-CE2 3.76Å; F46-Y50 HydrophobicContact CD1-CE2 3.76Å; F46-Y50 AromaticContact CE1-CD2 3.76Å; F46-Y50 HydrophobicContact CE1-CD2 3.76Å; F46-Y50 AromaticContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CG-CD2 4.1Å; F46-Y50 HydrophobicContact CG-CE2 4.36Å; F46-Y50 HydrophobicContact CZ-CE2 4.04Å; F46-Y50 PolarHBondContact O-N 3.47Å; Y50-W54 HydrophobicContact CD2-CZ2 4.44Å
51G97Very high97.8Very high25 Ų2561.9 Ų61.926%0.25831%0.311SS..  trans80.5149.4178.400000113.1D47 W54D47-G51 CarbonylContact O-C 3.44Å; D47-G51 WeakPolarHBondContact O-CA 3.39Å; D47-G51 PolarHBondContact O-N 2.8Å; G51-W54 PolarHBondContact O-NE1 3.17Å; G51-W54 VanDerWaalsContact O-NE1 3.13Å
52P97Very high97.7Very high82 Ų8263.1 Ų63.153%0.53232%0.316SS..SBendtrans-66161.117830.1-36.1000112.3D47 R87D47-P52 WeakPolarHBondContact OD1-CA 3.44Å; P52-R87 PolarHBondContact O-NE 3.25Å; P52-R87 PolarHBondContact O-NH2 2.66Å
53V96.4Very high97.6Very high60 Ų6066.9 Ų66.936%0.36436%0.355SS..  cis-113.6103.94.9-170.70000110.5R87 C88V53-R87 WeakPolarHBondContact O-CG 3.49Å; V53-C88 PolarHBondContact O-N 3.49Å
54W98.6Very high97.4Very high0 Ų066.9 Ų66.90%036%0.357CS..EExtended strand (participates in β ladder)trans-81.4149.9170.6-69.983.2000111L13 K43 F46 D47 Y50 G51 C72 L85 Y86 R87L13-W54 HydrophobicContact CD2-CH2 3.75Å; L13-W54 HydrophobicContact CD2-CZ3 4.19Å; K43-W54 WeakPolarHBondContact CE-O 3.45Å; K43-W54 WeakPolarHBondContact CG-O 3.42Å; F46-W54 HydrophobicContact CB-CB 4.04Å; F46-W54 HydrophobicContact CB-CD2 3.79Å; F46-W54 HydrophobicContact CB-CE3 4.31Å; F46-W54 HydrophobicContact CB-CG 3.63Å; F46-W54 AromaticContact CD1-CD2 3.81Å; F46-W54 HydrophobicContact CD1-CD2 3.81Å; F46-W54 AromaticContact CD1-CE2 3.83Å; F46-W54 AromaticContact CD1-CE3 3.79Å; F46-W54 HydrophobicContact CD1-CE3 3.79Å; F46-W54 AromaticContact CD1-CH2 3.87Å; F46-W54 HydrophobicContact CD1-CH2 3.87Å; F46-W54 AromaticContact CD1-CZ2 3.88Å; F46-W54 HydrophobicContact CD1-CZ2 3.88Å; F46-W54 AromaticContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CE1-CH2 4.22Å; F46-W54 HydrophobicContact CE1-CZ3 4.27Å; F46-W54 HydrophobicContact CG-CD2 4.23Å; F46-W54 HydrophobicContact CG-CE3 4.36Å; D47-W54 WeakPolarHBondContact OD1-CB 3.15Å; D47-W54 PolarHBondContact OD1-N 2.98Å; Y50-W54 HydrophobicContact CD2-CZ2 4.44Å; G51-W54 PolarHBondContact O-NE1 3.17Å; G51-W54 VanDerWaalsContact O-NE1 3.13Å; W54-C72 HydrophobicContact CH2-CB 3.86Å; W54-C72 HydrophobicContact CZ2-CB 4.39Å; W54-C72 HydrophobicContact CZ3-CB 4.37Å; W54-L85 HydrophobicContact CE3-CD1 3.99Å; W54-L85 HydrophobicContact CE3-CG 3.91Å; W54-L85 HydrophobicContact CZ3-CG 4.15Å; W54-Y86 CarbonylContact C-O 3.51Å; W54-Y86 WeakPolarHBondContact CA-O 3.3Å; W54-Y86 VanDerWaalsContact CE3-C 3.45Å; W54-R87 HydrophobicContact CD2-CB 3.92Å; W54-R87 HydrophobicContact CD2-CG 4.31Å; W54-R87 HydrophobicContact CE3-CB 4.05Å; W54-R87 HydrophobicContact CG-CB 4.45Å; W54-R87 HydrophobicContact CG-CG 4.43Å; W54-R87 HydrophobicContact CH2-CB 4.29Å; W54-R87 HydrophobicContact CZ2-CB 4.18Å; W54-R87 HydrophobicContact CZ3-CB 4.23Å
55Q98.6Very high97.3Very high73 Ų7365.4 Ų65.434%0.34137%0.367SS..EExtended strand (participates in β ladder)trans-126.4141.2173.9-59.2-61.2-16.300108.3L85 Y86Q55-L85 WeakPolarHBondContact O-CA 3.27Å; Q55-Y86 HydrophobicContact CB-CD1 4.19Å; Q55-Y86 HydrophobicContact CB-CD2 4.37Å; Q55-Y86 HydrophobicContact CB-CE1 3.7Å; Q55-Y86 HydrophobicContact CB-CE2 3.91Å; Q55-Y86 HydrophobicContact CG-CE2 4.1Å; Q55-Y86 PolarHBondContact N-O 2.8Å; Q55-Y86 PolarHBondContact O-N 3.21Å
56C98.8Very high97.2Very high17 Ų1766.1 Ų66.112%0.11537%0.37CS..EExtended strand (participates in β ladder)trans-135.7131.7177.1-171.50000109.7A39 M42 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.37Å; A39-C56 WeakPolarHBondContact O-CB 3.37Å; M42-C56 HydrophobicContact CB-CB 4.2Å; K43-C56 HydrophobicContact CB-CB 4.2Å; C56-L84 CarbonylContact C-O 3.58Å; C56-L84 VanDerWaalsContact CA-O 3.28Å; C56-L84 WeakPolarHBondContact CA-O 3.39Å; C56-L85 HydrophobicContact CB-CD1 3.89Å
57I98.7Very high97.1Very high71 Ų7171.7 Ų71.736%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-121.4133.9175.9-56.9178.2000106.9F62 L83 L84 Y86I57-F62 HydrophobicContact CG2-CE1 4.41Å; I57-F62 HydrophobicContact CG2-CZ 4.4Å; I57-L83 CarbonylContact O-C 3.55Å; I57-L83 WeakPolarHBondContact O-CA 3.49Å; I57-L84 HydrophobicContact CB-CB 4.31Å; I57-L84 HydrophobicContact CD1-CD2 4.33Å; I57-L84 PolarHBondContact N-O 3.34Å; I57-L84 PolarHBondContact O-N 2.89Å; I57-Y86 HydrophobicContact CD1-CE1 4.39Å
58V98.7Very high97Very high19 Ų1972.7 Ų72.712%0.11541%0.408CS..EExtended strand (participates in β ladder)trans-132.9133.2177.8-178.10000107.5E35 V38 A39 V81 S82 L83E35-V58 HydrophobicContact CB-CB 3.95Å; E35-V58 HydrophobicContact CB-CG1 3.76Å; E35-V58 HydrophobicContact CG-CG1 3.96Å; V38-V58 HydrophobicContact CB-CG2 4.37Å; V38-V58 HydrophobicContact CG1-CG1 4.35Å; V38-V58 HydrophobicContact CG1-CG2 3.96Å; A39-V58 HydrophobicContact CB-CB 4.35Å; A39-V58 HydrophobicContact CB-CG2 3.84Å; V58-V81 HydrophobicContact CG1-CG2 3.49Å; V58-V81 VanDerWaalsContact CG1-CG2 3.49Å; V58-S82 WeakPolarHBondContact CA-O 3.41Å; V58-L83 HydrophobicContact CG2-CB 4.21Å; V58-L83 HydrophobicContact CG2-CD1 3.72Å; V58-L83 HydrophobicContact CG2-CG 3.86Å
59G97.9Very high97Very high13 Ų1365.8 Ų65.813%0.13438%0.379CS..EExtended strand (participates in β ladder)trans-179.7164.5-179.500000112.6S82G59-S82 PolarHBondContact N-O 2.86Å; G59-S82 PolarHBondContact O-N 2.79Å
60H95Very high96.9Very high104 Ų10469.1 Ų69.148%0.48139%0.392SS..SBendtrans-71.1-44.1-179.7-73.3-79.5000113E35 E80E35-H60 IonicContact OE1-CD2 3.68Å; E35-H60 IonicContact OE1-NE2 2.79Å; H60-E80 PolarHBondContact ND1-O 2.93Å
61E92.1Very high96.9Very high186 Ų18673 Ų7387%0.86941%0.41SS*.SBendtrans-143.1131.1178.8-67.8-176.9-178.500109.7
62F96.7Very high97Very high55 Ų5572.4 Ų72.424%0.24140%0.402CS..  trans-158.4149.817152.2-91.7000111.1I57 M64 Y75 L84I57-F62 HydrophobicContact CG2-CE1 4.41Å; I57-F62 HydrophobicContact CG2-CZ 4.4Å; F62-M64 HydrophobicContact CD2-CE 4.34Å; F62-M64 HydrophobicContact CE2-CE 3.76Å; F62-Y75 AromaticContact CE2-CE2 3.75Å; F62-Y75 HydrophobicContact CE2-CE2 3.75Å; F62-Y75 HydrophobicContact CZ-CD2 4.41Å; F62-Y75 AromaticContact CZ-CE2 3.57Å; F62-Y75 HydrophobicContact CZ-CE2 3.57Å; F62-L84 HydrophobicContact CE2-CB 3.96Å; F62-L84 HydrophobicContact CE2-CD2 4.38Å; F62-L84 HydrophobicContact CZ-CB 4.06Å
63G96Very high97.1Very high80 Ų8069.3 Ų69.383%0.82538%0.38SS*.  trans-92.3147.116400000110.2
64M95.2Very high97.2Very high67 Ų6766.4 Ų66.433%0.3336%0.363SS..  trans-125.5135.5175.472.2-174.382.100111.5F62 F73 Y75 L84F62-M64 HydrophobicContact CD2-CE 4.34Å; F62-M64 HydrophobicContact CE2-CE 3.76Å; M64-F73 HydrophobicContact SD-CE2 4.16Å; M64-F73 HydrophobicContact SD-CZ 3.83Å; M64-Y75 HydrophobicContact CE-CD1 3.41Å; M64-Y75 VanDerWaalsContact CE-CD1 3.41Å; M64-Y75 HydrophobicContact CE-CD2 3.65Å; M64-Y75 HydrophobicContact CE-CE1 3.36Å; M64-Y75 HydrophobicContact CE-CE2 3.62Å; M64-Y75 HydrophobicContact CE-CG 3.57Å; M64-Y75 VanDerWaalsContact CE-CZ 3.49Å; M64-Y75 HydrophobicContact SD-CD1 4.47Å; M64-L84 HydrophobicContact CB-CD2 4Å; M64-L84 HydrophobicContact CE-CD1 4.02Å; M64-L84 HydrophobicContact CE-CD2 4.04Å; M64-L84 HydrophobicContact CE-CG 4.44Å; M64-L84 HydrophobicContact CG-CD2 4.46Å; M64-L84 HydrophobicContact SD-CD1 3.58Å; M64-L84 VanDerWaalsContact SD-CD1 3.58Å; M64-L84 HydrophobicContact SD-CD2 3.61Å; M64-L84 HydrophobicContact SD-CG 4.2Å
65S96.8Very high97.2Very high126 Ų12667.2 Ų67.288%0.88137%0.366SS*.  trans-142.297164.7-175.50000105.8
66I95.8Very high97.1Very high55 Ų5563.7 Ų63.728%0.28235%0.349SS..  trans-132.5156.4-170.560.8158.1000110.8F73 L84 Y86I66-F73 HydrophobicContact CD1-CD2 4.13Å; I66-F73 HydrophobicContact CD1-CE2 3.91Å; I66-F73 HydrophobicContact CG1-CE2 4.38Å; I66-L84 HydrophobicContact CD1-CD2 4.04Å; I66-Y86 HydrophobicContact CB-CE2 4.5Å; I66-Y86 HydrophobicContact CD1-CD1 3.47Å; I66-Y86 VanDerWaalsContact CD1-CD1 3.47Å; I66-Y86 HydrophobicContact CD1-CD2 3.51Å; I66-Y86 HydrophobicContact CD1-CE1 3.58Å; I66-Y86 HydrophobicContact CD1-CE2 3.61Å; I66-Y86 HydrophobicContact CD1-CG 3.42Å; I66-Y86 VanDerWaalsContact CD1-CG 3.42Å
67T97Very high97.1Very high117 Ų11765 Ų6572%0.71835%0.354SS*.  trans-102138165.9-540000108.6C88T67-C88 PolarHBondContact O-SG 2.82Å
68H97.3Very high96.9Very high51 Ų5161.8 Ų61.824%0.23634%0.337CS..  trans-142.9158.218056.5-88.8000111.3E12 F73 Y86 R87E12-H68 VanDerWaalsContact CD-NE2 3.33Å; E12-H68 IonicContact OE1-CD2 3.61Å; E12-H68 IonicContact OE1-CE1 3.67Å; E12-H68 IonicContact OE1-NE2 3.62Å; E12-H68 PolarHBondContact OE1-NE2 2.9Å; E12-H68 IonicContact OE2-CD2 2.66Å; E12-H68 IonicContact OE2-NE2 2.67Å; E12-H68 PolarHBondContact OE2-NE2 2.83Å; H68-F73 VanDerWaalsContact CD2-CB 3.49Å; H68-F73 WeakPolarHBondContact CD2-CB 3.5Å; H68-F73 AromaticContact CE1-CD2 3.62Å; H68-F73 AromaticContact CG-CD2 3.88Å; H68-F73 AromaticContact ND1-CD2 3.59Å; H68-F73 AromaticContact NE2-CD2 3.91Å; H68-F73 AromaticContact NE2-CG 3.89Å; H68-Y86 HydrophobicContact CB-CD2 4.01Å; H68-Y86 HydrophobicContact CB-CG 4.47Å; H68-R87 CarbonylContact C-O 3.5Å; H68-R87 WeakPolarHBondContact CA-O 3.29Å; H68-R87 VanDerWaalsContact CB-O 3.29Å; H68-R87 WeakPolarHBondContact CB-O 3.15Å
69D98.1Very high96.5Very high31 Ų3163.2 Ų63.217%0.16636%0.356CS..  trans-64.6141.6172.1-60.3-8.1000109.6K71 C72 R87 T89D69-K71 PolarHBondContact O-N 2.96Å; D69-C72 HydrophobicContact CB-CB 3.99Å; D69-C72 WeakPolarHBondContact O-CB 3.39Å; D69-C72 PolarHBondContact O-N 3.2Å; D69-C72 VanDerWaalsContact O-N 3.16Å; D69-R87 HydrophobicContact CB-CB 4.47Å; D69-R87 PolarHBondContact N-O 3.38Å; D69-R87 WeakPolarHBondContact OD2-CD 3.33Å; D69-R87 WeakPolarHBondContact OD2-CG 3.42Å; D69-R87 IonicContact OD2-CZ 3.6Å; D69-R87 IonicContact OD2-NE 3.94Å; D69-R87 IonicContact OD2-NH1 2.87Å; D69-R87 PolarHBondContact OD2-NH1 3.45Å; D69-T89 VanDerWaalsContact CG-OG1 3.23Å; D69-T89 PolarHBondContact OD1-N 3.01Å; D69-T89 PolarHBondContact OD1-OG1 3.12Å; D69-T89 PolarHBondContact OD2-OG1 3.24Å
70E96.4Very high96.2Very high165 Ų16570.3 Ų70.377%0.77139%0.386SS*.THydrogen-bonded Turntrans-51.6137.1174.9-69.6-172.2177.400111.9C72E70-C72 PolarHBondContact O-N 3.13Å; E70-C72 VanDerWaalsContact O-N 3.16Å; E70-C72 PolarHBondContact O-SG 3.31Å; E70-C72 VanDerWaalsContact O-SG 3.42Å
71K97.4Very high96.2Very high137 Ų13766.3 Ų66.360%0.59637%0.369SS*.THydrogen-bonded Turntrans63.917.4176-53.2174.4-177.1170.20114.2E12 D69E12-K71 WeakPolarHBondContact O-CA 3.32Å; E12-K71 PolarHBondContact OE2-N 2.86Å; D69-K71 PolarHBondContact O-N 2.96Å
72C98.2Very high96.5Very high12 Ų1257.7 Ų57.78%0.08133%0.329CS..  trans-124.847.4-179.4-59.10000111.3W54 D69 E70 Y86 R87W54-C72 HydrophobicContact CH2-CB 3.86Å; W54-C72 HydrophobicContact CZ2-CB 4.39Å; W54-C72 HydrophobicContact CZ3-CB 4.37Å; D69-C72 HydrophobicContact CB-CB 3.99Å; D69-C72 WeakPolarHBondContact O-CB 3.39Å; D69-C72 PolarHBondContact O-N 3.2Å; D69-C72 VanDerWaalsContact O-N 3.16Å; E70-C72 PolarHBondContact O-N 3.13Å; E70-C72 VanDerWaalsContact O-N 3.16Å; E70-C72 PolarHBondContact O-SG 3.31Å; E70-C72 VanDerWaalsContact O-SG 3.42Å; C72-Y86 CarbonylContact O-C 3.6Å; C72-Y86 WeakPolarHBondContact O-CA 3.47Å; C72-R87 HydrophobicContact CB-CB 3.54Å; C72-R87 PolarHBondContact O-N 3.16Å
73F98.6Very high96.6Very high16 Ų1655.3 Ų55.37%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-141.8136.9-179.3176.7-76.9000111.4A10 E12 L13 M64 I66 H68 L84 L85A10-F73 HydrophobicContact CB-CE1 3.75Å; E12-F73 HydrophobicContact CB-CB 4.3Å; E12-F73 HydrophobicContact CG-CB 4.18Å; E12-F73 HydrophobicContact CG-CD1 4.46Å; E12-F73 PolarHBondContact N-O 2.96Å; L13-F73 PolarHBondContact N-O 3.49Å; M64-F73 HydrophobicContact SD-CE2 4.16Å; M64-F73 HydrophobicContact SD-CZ 3.83Å; I66-F73 HydrophobicContact CD1-CD2 4.13Å; I66-F73 HydrophobicContact CD1-CE2 3.91Å; I66-F73 HydrophobicContact CG1-CE2 4.38Å; H68-F73 VanDerWaalsContact CD2-CB 3.49Å; H68-F73 WeakPolarHBondContact CD2-CB 3.5Å; H68-F73 AromaticContact CE1-CD2 3.62Å; H68-F73 AromaticContact CG-CD2 3.88Å; H68-F73 AromaticContact ND1-CD2 3.59Å; H68-F73 AromaticContact NE2-CD2 3.91Å; H68-F73 AromaticContact NE2-CG 3.89Å; F73-L84 HydrophobicContact CD2-CD1 4.19Å; F73-L84 HydrophobicContact CE1-CD1 4.26Å; F73-L84 HydrophobicContact CE2-CD1 3.43Å; F73-L84 VanDerWaalsContact CE2-CD1 3.43Å; F73-L84 HydrophobicContact CZ-CD1 3.44Å; F73-L84 VanDerWaalsContact CZ-CD1 3.44Å; F73-L85 CarbonylContact C-O 3.58Å
74I98.8Very high96.7Very high0 Ų051.5 Ų51.50%028%0.28CS..EExtended strand (participates in β ladder)trans-147.2138.9165.8-164.6178.9000110.6V8 A10 N11 L13 K18 A21 I76 L85V8-I74 HydrophobicContact CG1-CD1 4.43Å; V8-I74 HydrophobicContact CG1-CG1 4.32Å; A10-I74 WeakPolarHBondContact O-CA 3.39Å; A10-I74 WeakPolarHBondContact O-CG1 3.47Å; N11-I74 HydrophobicContact CB-CG1 4.12Å; N11-I74 WeakPolarHBondContact OD1-CD1 3.41Å; L13-I74 HydrophobicContact CD1-CB 3.79Å; L13-I74 HydrophobicContact CD1-CD1 4.33Å; L13-I74 HydrophobicContact CD1-CG2 3.62Å; L13-I74 HydrophobicContact CG-CB 4.03Å; L13-I74 HydrophobicContact CG-CG2 4.33Å; K18-I74 HydrophobicContact CG-CD1 3.99Å; A21-I74 HydrophobicContact CB-CD1 4.32Å; A21-I74 HydrophobicContact CB-CG2 4.33Å; I74-I76 HydrophobicContact CD1-CG2 3.74Å; I74-I76 HydrophobicContact CG1-CG2 3.78Å; I74-L85 HydrophobicContact CG2-CB 3.87Å; I74-L85 HydrophobicContact CG2-CD2 4.21Å; I74-L85 HydrophobicContact CG2-CG 4.46Å; I74-L85 PolarHBondContact N-O 3.42Å; I74-L85 PolarHBondContact O-N 2.87Å
75Y98.6Very high96.9Very high16 Ų1648.3 Ų48.36%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-124.9123.1173-176.9-144000109.9E9 A10 F62 M64 H77 L83 L84E9-Y75 HydrophobicContact CB-CD1 3.7Å; E9-Y75 HydrophobicContact CB-CE1 4.2Å; E9-Y75 HydrophobicContact CB-CG 4.35Å; E9-Y75 VanDerWaalsContact CD-CD1 3.43Å; E9-Y75 HydrophobicContact CG-CD1 3.87Å; E9-Y75 HydrophobicContact CG-CE1 4.19Å; E9-Y75 PolarHBondContact N-O 3.24Å; E9-Y75 WeakPolarHBondContact OE1-CD1 3.37Å; E9-Y75 VanDerWaalsContact OE1-CE1 3.29Å; E9-Y75 WeakPolarHBondContact OE1-CE1 3.43Å; E9-Y75 WeakPolarHBondContact OE2-CE1 3.37Å; A10-Y75 PolarHBondContact N-O 3.37Å; A10-Y75 PolarHBondContact O-N 2.99Å; F62-Y75 AromaticContact CE2-CE2 3.75Å; F62-Y75 HydrophobicContact CE2-CE2 3.75Å; F62-Y75 HydrophobicContact CZ-CD2 4.41Å; F62-Y75 AromaticContact CZ-CE2 3.57Å; F62-Y75 HydrophobicContact CZ-CE2 3.57Å; M64-Y75 HydrophobicContact CE-CD1 3.41Å; M64-Y75 VanDerWaalsContact CE-CD1 3.41Å; M64-Y75 HydrophobicContact CE-CD2 3.65Å; M64-Y75 HydrophobicContact CE-CE1 3.36Å; M64-Y75 HydrophobicContact CE-CE2 3.62Å; M64-Y75 HydrophobicContact CE-CG 3.57Å; M64-Y75 VanDerWaalsContact CE-CZ 3.49Å; M64-Y75 HydrophobicContact SD-CD1 4.47Å; Y75-H77 AromaticContact CE1-NE2 3.87Å; Y75-H77 AromaticContact CZ-CE1 3.61Å; Y75-H77 AromaticContact CZ-NE2 3.84Å; Y75-H77 PolarHBondContact OH-CE1 2.9Å; Y75-H77 VanDerWaalsContact OH-CE1 3.25Å; Y75-L83 WeakPolarHBondContact CD2-O 3.11Å; Y75-L84 HydrophobicContact CD2-CB 4.07Å; Y75-L84 HydrophobicContact CD2-CD1 4.24Å; Y75-L84 HydrophobicContact CG-CD1 4.31Å
76I98Very high97Very high0 Ų043.8 Ų43.80%023%0.228CC..EExtended strand (participates in β ladder)trans-133.5146.3-173.964.3-177.4000111.3V7 V8 L22 C25 I74 S82 L83V7-I76 CarbonylContact O-C 3.46Å; V7-I76 WeakPolarHBondContact O-CA 3.48Å; V8-I76 HydrophobicContact CB-CG2 4.37Å; V8-I76 HydrophobicContact CG1-CG2 4.26Å; V8-I76 HydrophobicContact CG2-CG2 3.98Å; L22-I76 HydrophobicContact CD2-CD1 4.02Å; L22-I76 HydrophobicContact CD2-CG2 4Å; C25-I76 HydrophobicContact CB-CD1 3.88Å; I74-I76 HydrophobicContact CD1-CG2 3.74Å; I74-I76 HydrophobicContact CG1-CG2 3.78Å; I76-S82 CarbonylContact O-C 3.55Å; I76-S82 WeakPolarHBondContact O-CA 3.2Å; I76-L83 HydrophobicContact CD1-CB 4.25Å; I76-L83 HydrophobicContact CD1-CD2 4.03Å; I76-L83 HydrophobicContact CG1-CB 3.79Å; I76-L83 HydrophobicContact CG1-CD2 4.08Å; I76-L83 HydrophobicContact CG1-CG 4.49Å; I76-L83 PolarHBondContact N-O 3.26Å; I76-L83 PolarHBondContact O-N 3.16Å
77H97Very high97.1Very high44 Ų4444.2 Ų44.220%0.20423%0.226CC..EExtended strand (participates in β ladder)trans-105.3137.2167.3-61.3-75000109.3I6 V7 E9 Y75 S82I6-H77 VanDerWaalsContact CA-O 3.3Å; I6-H77 WeakPolarHBondContact CA-O 3.39Å; V7-H77 HydrophobicContact CB-CB 4.32Å; V7-H77 PolarHBondContact N-O 3.21Å; V7-H77 PolarHBondContact O-N 3.47Å; E9-H77 IonicContact OE2-CD2 3.26Å; E9-H77 IonicContact OE2-CE1 3.67Å; E9-H77 IonicContact OE2-NE2 3.76Å; E9-H77 PolarHBondContact OE2-NE2 3.39Å; Y75-H77 AromaticContact CE1-NE2 3.87Å; Y75-H77 AromaticContact CZ-CE1 3.61Å; Y75-H77 AromaticContact CZ-NE2 3.84Å; Y75-H77 PolarHBondContact OH-CE1 2.9Å; Y75-H77 VanDerWaalsContact OH-CE1 3.25Å; H77-S82 PolarHBondContact CE1-OG 3.39Å; H77-S82 WeakPolarHBondContact ND1-CB 3.29Å; H77-S82 PolarHBondContact ND1-OG 2.83Å
78C94.9Very high96.9Very high3 Ų340.9 Ų40.92%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-130.582.8178.7-66.90000108.3Y4 C25 L29 E80 V81Y4-C78 HydrophobicContact CD1-CB 4.41Å; C25-C78 VanDerWaalsContact SG-SG 3.63Å; L29-C78 HydrophobicContact CD1-CB 3.5Å; L29-C78 VanDerWaalsContact CD1-CB 3.5Å; C78-E80 PolarHBondContact O-N 3.25Å; C78-V81 HydrophobicContact CB-CG1 4.29Å; C78-V81 PolarHBondContact N-O 2.87Å
79G91.2Very high96.3Very high50 Ų5045.4 Ų45.452%0.51524%0.238SC..THydrogen-bonded Turntrans64.4-122-167.400000111.5D5D5-G79 PolarHBondContact O-N 2.92Å; D5-G79 VanDerWaalsContact O-N 3.1Å
80E91.3Very high96.2Very high161 Ų16146.2 Ų46.275%0.75224%0.242SC*.THydrogen-bonded Turntrans-86.5-2.9-175.7-62-179.2172.900114.2H60 C78H60-E80 PolarHBondContact ND1-O 2.93Å; C78-E80 PolarHBondContact O-N 3.25Å
81V95.1Very high96.2Very high20 Ų2039.9 Ų39.912%0.12121%0.214CC..EExtended strand (participates in β ladder)trans-116.1137.5-179.971.80000110.4L29 E35 V58 C78L29-V81 HydrophobicContact CD1-CG1 4.44Å; L29-V81 HydrophobicContact CD2-CG1 3.84Å; E35-V81 HydrophobicContact CG-CG2 4.3Å; V58-V81 HydrophobicContact CG1-CG2 3.49Å; V58-V81 VanDerWaalsContact CG1-CG2 3.49Å; C78-V81 HydrophobicContact CB-CG1 4.29Å; C78-V81 PolarHBondContact N-O 2.87Å
82S97.8Very high96.2Very high6 Ų634.5 Ų34.54%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-105.4144.8175.4-39.10000110.1V58 G59 I76 H77V58-S82 WeakPolarHBondContact CA-O 3.41Å; G59-S82 PolarHBondContact N-O 2.86Å; G59-S82 PolarHBondContact O-N 2.79Å; I76-S82 CarbonylContact O-C 3.55Å; I76-S82 WeakPolarHBondContact O-CA 3.2Å; H77-S82 PolarHBondContact CE1-OG 3.39Å; H77-S82 WeakPolarHBondContact ND1-CB 3.29Å; H77-S82 PolarHBondContact ND1-OG 2.83Å
83L98.5Very high96Very high5 Ų535.8 Ų35.83%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-126.3124176.9-179.6153.5000109.8V38 M42 I57 V58 Y75 I76 L85V38-L83 HydrophobicContact CG1-CD1 4.32Å; M42-L83 HydrophobicContact CE-CD1 4.06Å; M42-L83 HydrophobicContact CE-CD2 4.33Å; M42-L83 HydrophobicContact CG-CD1 3.87Å; I57-L83 CarbonylContact O-C 3.55Å; I57-L83 WeakPolarHBondContact O-CA 3.49Å; V58-L83 HydrophobicContact CG2-CB 4.21Å; V58-L83 HydrophobicContact CG2-CD1 3.72Å; V58-L83 HydrophobicContact CG2-CG 3.86Å; Y75-L83 WeakPolarHBondContact CD2-O 3.11Å; I76-L83 HydrophobicContact CD1-CB 4.25Å; I76-L83 HydrophobicContact CD1-CD2 4.03Å; I76-L83 HydrophobicContact CG1-CB 3.79Å; I76-L83 HydrophobicContact CG1-CD2 4.08Å; I76-L83 HydrophobicContact CG1-CG 4.49Å; I76-L83 PolarHBondContact N-O 3.26Å; I76-L83 PolarHBondContact O-N 3.16Å; L83-L85 HydrophobicContact CD2-CB 3.75Å
84L98.8Very high95.9Very high0 Ų037.1 Ų37.10%021%0.208CC..EExtended strand (participates in β ladder)trans-108.6124.6171.4178.164.9000108.7C56 I57 F62 M64 I66 F73 Y75 Y86C56-L84 CarbonylContact C-O 3.58Å; C56-L84 VanDerWaalsContact CA-O 3.28Å; C56-L84 WeakPolarHBondContact CA-O 3.39Å; I57-L84 HydrophobicContact CB-CB 4.31Å; I57-L84 HydrophobicContact CD1-CD2 4.33Å; I57-L84 PolarHBondContact N-O 3.34Å; I57-L84 PolarHBondContact O-N 2.89Å; F62-L84 HydrophobicContact CE2-CB 3.96Å; F62-L84 HydrophobicContact CE2-CD2 4.38Å; F62-L84 HydrophobicContact CZ-CB 4.06Å; M64-L84 HydrophobicContact CB-CD2 4Å; M64-L84 HydrophobicContact CE-CD1 4.02Å; M64-L84 HydrophobicContact CE-CD2 4.04Å; M64-L84 HydrophobicContact CE-CG 4.44Å; M64-L84 HydrophobicContact CG-CD2 4.46Å; M64-L84 HydrophobicContact SD-CD1 3.58Å; M64-L84 VanDerWaalsContact SD-CD1 3.58Å; M64-L84 HydrophobicContact SD-CD2 3.61Å; M64-L84 HydrophobicContact SD-CG 4.2Å; I66-L84 HydrophobicContact CD1-CD2 4.04Å; F73-L84 HydrophobicContact CD2-CD1 4.19Å; F73-L84 HydrophobicContact CE1-CD1 4.26Å; F73-L84 HydrophobicContact CE2-CD1 3.43Å; F73-L84 VanDerWaalsContact CE2-CD1 3.43Å; F73-L84 HydrophobicContact CZ-CD1 3.44Å; F73-L84 VanDerWaalsContact CZ-CD1 3.44Å; Y75-L84 HydrophobicContact CD2-CB 4.07Å; Y75-L84 HydrophobicContact CD2-CD1 4.24Å; Y75-L84 HydrophobicContact CG-CD1 4.31Å; L84-Y86 HydrophobicContact CD2-CD1 4.17Å; L84-Y86 HydrophobicContact CD2-CE1 4.11Å; L84-Y86 HydrophobicContact CG-CD1 3.92Å; L84-Y86 HydrophobicContact CG-CE1 4.28Å
85L98.9Very high95.7Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-130.4121.5178.7175.274.2000109.2A21 M42 F46 W54 Q55 C56 F73 I74 L83A21-L85 HydrophobicContact CB-CD2 4.35Å; M42-L85 HydrophobicContact CE-CD2 4.17Å; F46-L85 HydrophobicContact CB-CD1 4.45Å; F46-L85 HydrophobicContact CD1-CD2 3.73Å; F46-L85 HydrophobicContact CD1-CG 4.44Å; F46-L85 HydrophobicContact CD2-CD1 4.46Å; F46-L85 HydrophobicContact CD2-CD2 3.66Å; F46-L85 HydrophobicContact CE1-CD2 3.61Å; F46-L85 HydrophobicContact CE2-CD2 3.51Å; F46-L85 HydrophobicContact CG-CD1 4.25Å; F46-L85 HydrophobicContact CG-CD2 3.79Å; F46-L85 HydrophobicContact CG-CG 4.49Å; F46-L85 HydrophobicContact CZ-CD2 3.52Å; W54-L85 HydrophobicContact CE3-CD1 3.99Å; W54-L85 HydrophobicContact CE3-CG 3.91Å; W54-L85 HydrophobicContact CZ3-CG 4.15Å; Q55-L85 WeakPolarHBondContact O-CA 3.27Å; C56-L85 HydrophobicContact CB-CD1 3.89Å; F73-L85 CarbonylContact C-O 3.58Å; I74-L85 HydrophobicContact CG2-CB 3.87Å; I74-L85 HydrophobicContact CG2-CD2 4.21Å; I74-L85 HydrophobicContact CG2-CG 4.46Å; I74-L85 PolarHBondContact N-O 3.42Å; I74-L85 PolarHBondContact O-N 2.87Å; L83-L85 HydrophobicContact CD2-CB 3.75Å
86Y98.7Very high95.5Very high31 Ų3141.2 Ų41.212%0.12223%0.233CC..EExtended strand (participates in β ladder)trans-148.7160.2-176.965.3-78.9000112W54 Q55 I57 I66 H68 C72 L84 C88W54-Y86 CarbonylContact C-O 3.51Å; W54-Y86 WeakPolarHBondContact CA-O 3.3Å; W54-Y86 VanDerWaalsContact CE3-C 3.45Å; Q55-Y86 HydrophobicContact CB-CD1 4.19Å; Q55-Y86 HydrophobicContact CB-CD2 4.37Å; Q55-Y86 HydrophobicContact CB-CE1 3.7Å; Q55-Y86 HydrophobicContact CB-CE2 3.91Å; Q55-Y86 HydrophobicContact CG-CE2 4.1Å; Q55-Y86 PolarHBondContact N-O 2.8Å; Q55-Y86 PolarHBondContact O-N 3.21Å; I57-Y86 HydrophobicContact CD1-CE1 4.39Å; I66-Y86 HydrophobicContact CB-CE2 4.5Å; I66-Y86 HydrophobicContact CD1-CD1 3.47Å; I66-Y86 VanDerWaalsContact CD1-CD1 3.47Å; I66-Y86 HydrophobicContact CD1-CD2 3.51Å; I66-Y86 HydrophobicContact CD1-CE1 3.58Å; I66-Y86 HydrophobicContact CD1-CE2 3.61Å; I66-Y86 HydrophobicContact CD1-CG 3.42Å; I66-Y86 VanDerWaalsContact CD1-CG 3.42Å; H68-Y86 HydrophobicContact CB-CD2 4.01Å; H68-Y86 HydrophobicContact CB-CG 4.47Å; C72-Y86 CarbonylContact O-C 3.6Å; C72-Y86 WeakPolarHBondContact O-CA 3.47Å; L84-Y86 HydrophobicContact CD2-CD1 4.17Å; L84-Y86 HydrophobicContact CD2-CE1 4.11Å; L84-Y86 HydrophobicContact CG-CD1 3.92Å; L84-Y86 HydrophobicContact CG-CE1 4.28Å; Y86-C88 HydrophobicContact CD2-CB 4.3Å; Y86-C88 HydrophobicContact CE2-CB 4.24Å
87R98.3Very high95.3Very high63 Ų6344.4 Ų44.424%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-109.2143171.8-163177.3177.4-113.32.6109.3P52 V53 W54 H68 D69 C72P52-R87 PolarHBondContact O-NE 3.25Å; P52-R87 PolarHBondContact O-NH2 2.66Å; V53-R87 WeakPolarHBondContact O-CG 3.49Å; W54-R87 HydrophobicContact CD2-CB 3.92Å; W54-R87 HydrophobicContact CD2-CG 4.31Å; W54-R87 HydrophobicContact CE3-CB 4.05Å; W54-R87 HydrophobicContact CG-CB 4.45Å; W54-R87 HydrophobicContact CG-CG 4.43Å; W54-R87 HydrophobicContact CH2-CB 4.29Å; W54-R87 HydrophobicContact CZ2-CB 4.18Å; W54-R87 HydrophobicContact CZ3-CB 4.23Å; H68-R87 CarbonylContact C-O 3.5Å; H68-R87 WeakPolarHBondContact CA-O 3.29Å; H68-R87 VanDerWaalsContact CB-O 3.29Å; H68-R87 WeakPolarHBondContact CB-O 3.15Å; D69-R87 HydrophobicContact CB-CB 4.47Å; D69-R87 PolarHBondContact N-O 3.38Å; D69-R87 WeakPolarHBondContact OD2-CD 3.33Å; D69-R87 WeakPolarHBondContact OD2-CG 3.42Å; D69-R87 IonicContact OD2-CZ 3.6Å; D69-R87 IonicContact OD2-NE 3.94Å; D69-R87 IonicContact OD2-NH1 2.87Å; D69-R87 PolarHBondContact OD2-NH1 3.45Å; C72-R87 HydrophobicContact CB-CB 3.54Å; C72-R87 PolarHBondContact O-N 3.16Å
88C93.8Very high95.1Very high48 Ų4844.4 Ų44.432%0.32426%0.255SS..  trans-145.2119.3176.4-173.50000107.8V53 T67 Y86V53-C88 PolarHBondContact O-N 3.49Å; T67-C88 PolarHBondContact O-SG 2.82Å; Y86-C88 HydrophobicContact CD2-CB 4.3Å; Y86-C88 HydrophobicContact CE2-CB 4.24Å
89T84.6Confident95.2Very high146 Ų14648.2 Ų48.290%0.89628%0.276SS*.  trans-110.90174.64.80000112.6D69D69-T89 VanDerWaalsContact CG-OG1 3.23Å; D69-T89 PolarHBondContact OD1-N 3.01Å; D69-T89 PolarHBondContact OD1-OG1 3.12Å; D69-T89 PolarHBondContact OD2-OG1 3.24Å

Retrieved 89 of 89 residues in 190.5 ms (Link to these results)

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