A0A077YXY5_TRITR Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A077YXY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 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
1M58.9Low88.8Confident189 Ų18994.5 Ų94.593%0.93148%0.475SS*.  0129.90-78.6169.354.700107.4V5M1-V5 HydrophobicContact CE-CG1 3.7Å
2G82.6Confident89.6Confident45 Ų4599.4 Ų99.446%0.46449%0.491SS..  trans-67.2155.4-17800000112.9E4 V5 V6G2-E4 PolarHBondContact O-N 3.16Å; G2-V5 WeakPolarHBondContact O-CB 3.47Å; G2-V5 PolarHBondContact O-N 3.46Å; G2-V6 PolarHBondContact O-N 3.33Å
3E84Confident90.3Very high152 Ų152101.4 Ų101.471%0.7150%0.495SS*.Hα-helixtrans-52.6-41.5179.1-173.4177.1179.100112.4V5 V6 I7E3-V5 VanDerWaalsContact C-N 3.27Å; E3-V5 PolarHBondContact O-N 2.9Å; E3-V6 WeakPolarHBondContact O-CB 3.34Å; E3-V6 PolarHBondContact O-N 3.5Å; E3-V6 VanDerWaalsContact O-N 3.1Å; E3-I7 HydrophobicContact CG-CD1 4.19Å; E3-I7 WeakPolarHBondContact O-CG1 3.36Å; E3-I7 PolarHBondContact O-N 3.02Å
4E88.2Confident90.9Very high147 Ų14794.4 Ų94.469%0.68746%0.461SS*.Hα-helixtrans-57.7-37.1176.2-62.8-174.4168.900113.4G2 R8G2-E4 PolarHBondContact O-N 3.16Å; E4-R8 WeakPolarHBondContact O-CB 3.36Å; E4-R8 WeakPolarHBondContact O-CG 3.45Å; E4-R8 PolarHBondContact O-N 3.31Å
5V91.7Very high91.4Very high74 Ų7490.7 Ų90.745%0.44845%0.448SS..Hα-helixtrans-70.3-38.7179.4-1780000110.2M1 G2 E3 R8 H9M1-V5 HydrophobicContact CE-CG1 3.7Å; G2-V5 WeakPolarHBondContact O-CB 3.47Å; G2-V5 PolarHBondContact O-N 3.46Å; E3-V5 VanDerWaalsContact C-N 3.27Å; E3-V5 PolarHBondContact O-N 2.9Å; V5-R8 PolarHBondContact O-N 3.25Å; V5-H9 WeakPolarHBondContact O-CB 3.36Å; V5-H9 PolarHBondContact O-N 3.1Å
6V91.4Very high91.8Very high69 Ų6996.7 Ų96.742%0.41847%0.471SS..Hα-helixtrans-63.7-47175.7178.80000110.2G2 E3 H9 M10G2-V6 PolarHBondContact O-N 3.33Å; E3-V6 WeakPolarHBondContact O-CB 3.34Å; E3-V6 PolarHBondContact O-N 3.5Å; E3-V6 VanDerWaalsContact O-N 3.1Å; V6-H9 PolarHBondContact O-N 3.11Å; V6-M10 WeakPolarHBondContact O-CB 3.47Å; V6-M10 PolarHBondContact O-N 3.31Å
7I94.2Very high92.2Very high40 Ų4098.2 Ų98.221%0.20548%0.477CS..Hα-helixtrans-58.3-51176.7-69.5173.2000110.5E3 H9 M10 E11 I24E3-I7 HydrophobicContact CG-CD1 4.19Å; E3-I7 WeakPolarHBondContact O-CG1 3.36Å; E3-I7 PolarHBondContact O-N 3.02Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.13Å; I7-M10 WeakPolarHBondContact O-CB 3.43Å; I7-M10 PolarHBondContact O-N 3.12Å; I7-M10 VanDerWaalsContact O-N 3.11Å; I7-E11 HydrophobicContact CG2-CG 4.26Å; I7-E11 WeakPolarHBondContact O-CG 3.27Å; I7-E11 PolarHBondContact O-N 3.3Å; I7-I24 HydrophobicContact CG2-CB 4.02Å; I7-I24 HydrophobicContact CG2-CG2 4.3Å
8R95.6Very high92.5Very high166 Ų16695.7 Ų95.763%0.62646%0.462SS*.Hα-helixtrans-60.5-37.9179.9-75.9-176.7-178.3-163.33.5113.1E4 V5 K12E4-R8 WeakPolarHBondContact O-CB 3.36Å; E4-R8 WeakPolarHBondContact O-CG 3.45Å; E4-R8 PolarHBondContact O-N 3.31Å; V5-R8 PolarHBondContact O-N 3.25Å; R8-K12 WeakPolarHBondContact O-CG 3.3Å; R8-K12 PolarHBondContact O-N 2.98Å; R8-K12 VanDerWaalsContact O-N 3.12Å
9H96.2Very high92.8Very high103 Ų10398.5 Ų98.548%0.47748%0.479SS..Hα-helixtrans-66.8-41.3176.5-172.860.9000111.6V5 V6 I7 K12 K13V5-H9 WeakPolarHBondContact O-CB 3.36Å; V5-H9 PolarHBondContact O-N 3.1Å; V6-H9 PolarHBondContact O-N 3.11Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.13Å; H9-K12 PolarHBondContact O-N 3.43Å; H9-K13 VanDerWaalsContact NE2-CE 3.27Å; H9-K13 WeakPolarHBondContact NE2-CE 3.42Å; H9-K13 PolarHBondContact NE2-NZ 3.27Å; H9-K13 PolarHBondContact O-N 3.3Å; H9-K13 VanDerWaalsContact O-N 3.13Å
10M96.4Very high93.1Very high20 Ų2097.7 Ų97.710%0.09947%0.471CS..Hα-helixtrans-65.3-45.2176.2-180158.153.700112V6 I7 K12 K13 L14 I24 E31 L34V6-M10 WeakPolarHBondContact O-CB 3.47Å; V6-M10 PolarHBondContact O-N 3.31Å; I7-M10 WeakPolarHBondContact O-CB 3.43Å; I7-M10 PolarHBondContact O-N 3.12Å; I7-M10 VanDerWaalsContact O-N 3.11Å; M10-K12 VanDerWaalsContact C-N 3.33Å; M10-K12 PolarHBondContact O-N 3.39Å; M10-K13 PolarHBondContact O-N 2.8Å; M10-L14 HydrophobicContact CG-CD1 3.78Å; M10-L14 HydrophobicContact CG-CG 4.34Å; M10-L14 WeakPolarHBondContact O-CB 3.46Å; M10-L14 WeakPolarHBondContact O-CG 3.34Å; M10-L14 PolarHBondContact O-N 3.02Å; M10-I24 HydrophobicContact CB-CD1 4.48Å; M10-I24 HydrophobicContact CE-CD1 3.9Å; M10-I24 HydrophobicContact CG-CD1 4Å; M10-I24 HydrophobicContact SD-CD1 4.48Å; M10-E31 HydrophobicContact SD-CG 3.67Å; M10-L34 HydrophobicContact CE-CD2 3.4Å; M10-L34 HydrophobicContact SD-CD2 3.83Å
11E98Very high93.4Very high34 Ų34101.6 Ų101.616%0.15948%0.481CS..Hα-helixtrans-54.7-47.8173.8-71.7178.8142.500111.2I7 K13 L14 C15 R23 I24I7-E11 HydrophobicContact CG2-CG 4.26Å; I7-E11 WeakPolarHBondContact O-CG 3.27Å; I7-E11 PolarHBondContact O-N 3.3Å; E11-K13 PolarHBondContact O-N 2.84Å; E11-L14 PolarHBondContact O-N 3.41Å; E11-C15 WeakPolarHBondContact O-CB 3.4Å; E11-C15 PolarHBondContact O-N 2.93Å; E11-C15 PolarHBondContact O-SG 3.42Å; E11-R23 WeakPolarHBondContact OE1-CA 3.49Å; E11-I24 HydrophobicContact CG-CB 4.25Å; E11-I24 HydrophobicContact CG-CD1 3.85Å; E11-I24 HydrophobicContact CG-CG1 4.13Å; E11-I24 PolarHBondContact OE1-N 3.23Å
12K98.2Very high95.3Very high154 Ų15492.7 Ų92.767%0.6744%0.437SS*.Hα-helixtrans-59.6-44.2178.8-75.7177.1-178.7-177.70112.4R8 H9 M10 K16R8-K12 WeakPolarHBondContact O-CG 3.3Å; R8-K12 PolarHBondContact O-N 2.98Å; R8-K12 VanDerWaalsContact O-N 3.12Å; H9-K12 PolarHBondContact O-N 3.43Å; M10-K12 VanDerWaalsContact C-N 3.33Å; M10-K12 PolarHBondContact O-N 3.39Å; K12-K16 PolarHBondContact O-N 3.11Å; K12-K16 VanDerWaalsContact O-N 3.16Å
13K98.2Very high96Very high125 Ų12597.4 Ų97.454%0.54344%0.441SS..Hα-helixtrans-61.5-49.6177.1-76.7-179.2173178.60111.1H9 M10 E11 K16 E17H9-K13 VanDerWaalsContact NE2-CE 3.27Å; H9-K13 WeakPolarHBondContact NE2-CE 3.42Å; H9-K13 PolarHBondContact NE2-NZ 3.27Å; H9-K13 PolarHBondContact O-N 3.3Å; H9-K13 VanDerWaalsContact O-N 3.13Å; M10-K13 PolarHBondContact O-N 2.8Å; E11-K13 PolarHBondContact O-N 2.84Å; K13-K16 PolarHBondContact O-N 3.05Å; K13-E17 WeakPolarHBondContact O-CB 3.24Å; K13-E17 PolarHBondContact O-N 3.35Å
14L98.5Very high96.7Very high3 Ų390.5 Ų90.52%0.01641%0.409CS..Hα-helixtrans-64.3-42.5-179.7-69.1170.6000111.8M10 E11 K16 E17 Y18 I22 I24 K35 V38M10-L14 HydrophobicContact CG-CD1 3.78Å; M10-L14 HydrophobicContact CG-CG 4.34Å; M10-L14 WeakPolarHBondContact O-CB 3.46Å; M10-L14 WeakPolarHBondContact O-CG 3.34Å; M10-L14 PolarHBondContact O-N 3.02Å; E11-L14 PolarHBondContact O-N 3.41Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.94Å; L14-E17 PolarHBondContact O-N 3.26Å; L14-Y18 HydrophobicContact CD2-CD2 4.4Å; L14-Y18 HydrophobicContact CD2-CE2 3.95Å; L14-Y18 WeakPolarHBondContact O-CD2 3.49Å; L14-Y18 PolarHBondContact O-N 2.97Å; L14-I22 HydrophobicContact CB-CB 4.46Å; L14-I22 HydrophobicContact CB-CD1 3.86Å; L14-I22 HydrophobicContact CB-CG2 4.25Å; L14-I22 HydrophobicContact CD1-CG2 4.39Å; L14-I22 WeakPolarHBondContact O-CD1 3.32Å; L14-I24 HydrophobicContact CD1-CD1 4.16Å; L14-K35 HydrophobicContact CD2-CG 4.38Å; L14-V38 HydrophobicContact CD1-CG1 4.34Å; L14-V38 HydrophobicContact CD1-CG2 4.28Å; L14-V38 HydrophobicContact CD2-CG1 4.05Å
15C98.5Very high97.1Very high39 Ų3986.9 Ų86.926%0.26439%0.393SS..Hα-helixtrans-56.4-45.1176.5-71.20000111.4E11 D19 R20 I22E11-C15 WeakPolarHBondContact O-CB 3.4Å; E11-C15 PolarHBondContact O-N 2.93Å; E11-C15 PolarHBondContact O-SG 3.42Å; C15-D19 VanDerWaalsContact O-CA 3.3Å; C15-D19 WeakPolarHBondContact O-CA 3.34Å; C15-D19 PolarHBondContact O-N 2.99Å; C15-R20 VanDerWaalsContact CA-O 3.24Å; C15-R20 WeakPolarHBondContact CA-O 3.49Å; C15-R20 WeakPolarHBondContact CB-O 3.2Å; C15-R20 PolarHBondContact O-N 3.27Å; C15-I22 PolarHBondContact SG-N 3.2Å; C15-I22 PolarHBondContact SG-O 2.78Å; C15-I22 VanDerWaalsContact SG-O 3.41Å
16K98.4Very high97.3Very high187 Ų18785.7 Ų85.781%0.81339%0.386SS*.Hα-helixtrans-70-40.9178.8-173.6179.4179.9-178.60112.3K12 K13 L14K12-K16 PolarHBondContact O-N 3.11Å; K12-K16 VanDerWaalsContact O-N 3.16Å; K13-K16 PolarHBondContact O-N 3.05Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.94Å
17E98.4Very high97.6Very high123 Ų12384.1 Ų84.158%0.57538%0.381SS*.Hα-helixtrans-63.4-41.9-178.1-175.8-179.2150.400112.2K13 L14K13-E17 WeakPolarHBondContact O-CB 3.24Å; K13-E17 PolarHBondContact O-N 3.35Å; L14-E17 PolarHBondContact O-N 3.26Å
18Y98.3Very high97.7Very high52 Ų5285.8 Ų85.820%0.20439%0.387CS..Hα-helixtrans-101.5-4.3-175.5-66.5-76.6000114.3L14 R20 I22 V38 R39 C42L14-Y18 HydrophobicContact CD2-CD2 4.4Å; L14-Y18 HydrophobicContact CD2-CE2 3.95Å; L14-Y18 WeakPolarHBondContact O-CD2 3.49Å; L14-Y18 PolarHBondContact O-N 2.97Å; Y18-R20 VanDerWaalsContact C-N 3.28Å; Y18-R20 WeakPolarHBondContact O-CG 3.4Å; Y18-R20 PolarHBondContact O-N 3.03Å; Y18-I22 HydrophobicContact CD2-CD1 4.07Å; Y18-I22 HydrophobicContact CG-CD1 4.47Å; Y18-V38 HydrophobicContact CD2-CG1 4.11Å; Y18-V38 HydrophobicContact CE2-CG1 4.12Å; Y18-R39 HydrophobicContact CE1-CB 4.29Å; Y18-R39 HydrophobicContact CE1-CG 4.14Å; Y18-R39 WeakPolarHBondContact OH-CB 3.04Å; Y18-R39 WeakPolarHBondContact OH-CG 3.05Å; Y18-C42 HydrophobicContact CD1-CB 3.36Å; Y18-C42 HydrophobicContact CE1-CB 4.03Å; Y18-C42 HydrophobicContact CG-CB 3.74Å
19D98.2Very high97.6Very high149 Ų14978.6 Ų78.680%0.79736%0.362SS*.THydrogen-bonded Turntrans50.248.4-171.6-166.636.7000112.2C15C15-D19 VanDerWaalsContact O-CA 3.3Å; C15-D19 WeakPolarHBondContact O-CA 3.34Å; C15-D19 PolarHBondContact O-N 2.99Å
20R98.4Very high97.5Very high82 Ų8280.8 Ų80.831%0.30937%0.372SS..SBendtrans-138.8151.7-174.8-68.6-77.9176.6177.8-1.1110.2C15 Y18 I22 V95 D96C15-R20 VanDerWaalsContact CA-O 3.24Å; C15-R20 WeakPolarHBondContact CA-O 3.49Å; C15-R20 WeakPolarHBondContact CB-O 3.2Å; C15-R20 PolarHBondContact O-N 3.27Å; Y18-R20 VanDerWaalsContact C-N 3.28Å; Y18-R20 WeakPolarHBondContact O-CG 3.4Å; Y18-R20 PolarHBondContact O-N 3.03Å; R20-I22 HydrophobicContact CB-CD1 4.27Å; R20-I22 HydrophobicContact CB-CG1 4.16Å; R20-I22 PolarHBondContact O-N 3.29Å; R20-V95 HydrophobicContact CB-CG1 4.1Å; R20-V95 HydrophobicContact CG-CG1 4.31Å; R20-D96 WeakPolarHBondContact CD-OD2 3.5Å; R20-D96 IonicContact CZ-OD2 3.52Å; R20-D96 IonicContact NE-OD2 2.9Å; R20-D96 IonicContact NH1-OD2 3.71Å; R20-D96 PolarHBondContact NH1-OD2 2.85Å
21R98.5Very high97.4Very high180 Ų18084.5 Ų84.568%0.67939%0.389SS*.  trans-77.8106.9171.3-178.6-172.2-58.7-96.9-2108.7V95 D96R21-V95 CarbonylContact O-C 3.56Å; R21-V95 WeakPolarHBondContact O-CA 3.32Å; R21-D96 PolarHBondContact N-OD1 3.41Å; R21-D96 PolarHBondContact O-N 2.77Å
22I98.7Very high97.4Very high3 Ų390.8 Ų90.82%0.01542%0.416CS..EExtended strand (participates in β ladder)trans-113.1128.2-179.6-64163.4000109.4L14 C15 Y18 R20 V38 Y94 V95L14-I22 HydrophobicContact CB-CB 4.46Å; L14-I22 HydrophobicContact CB-CD1 3.86Å; L14-I22 HydrophobicContact CB-CG2 4.25Å; L14-I22 HydrophobicContact CD1-CG2 4.39Å; L14-I22 WeakPolarHBondContact O-CD1 3.32Å; C15-I22 PolarHBondContact SG-N 3.2Å; C15-I22 PolarHBondContact SG-O 2.78Å; C15-I22 VanDerWaalsContact SG-O 3.41Å; Y18-I22 HydrophobicContact CD2-CD1 4.07Å; Y18-I22 HydrophobicContact CG-CD1 4.47Å; R20-I22 HydrophobicContact CB-CD1 4.27Å; R20-I22 HydrophobicContact CB-CG1 4.16Å; R20-I22 PolarHBondContact O-N 3.29Å; I22-V38 HydrophobicContact CD1-CG1 3.7Å; I22-V38 HydrophobicContact CG2-CG1 4.44Å; I22-Y94 WeakPolarHBondContact CA-O 3.4Å; I22-V95 HydrophobicContact CG1-CG1 4.48Å; I22-V95 HydrophobicContact CG1-CG2 4.32Å
23R98.4Very high97.3Very high143 Ų14384.1 Ų84.154%0.5439%0.388SS..EExtended strand (participates in β ladder)trans-130.6128.2174.8-70.4-173.459.3-166.4-7.2111.1E11 F93 Y94E11-R23 WeakPolarHBondContact OE1-CA 3.49Å; R23-F93 CarbonylContact O-C 3.46Å; R23-F93 WeakPolarHBondContact O-CA 3.34Å; R23-F93 VanDerWaalsContact O-CB 3.25Å; R23-F93 WeakPolarHBondContact O-CB 3.25Å; R23-Y94 PolarHBondContact N-O 2.98Å; R23-Y94 PolarHBondContact O-N 2.73Å
24I98.2Very high97.3Very high8 Ų878.3 Ų78.34%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-98.7121.6178.4-62.8155.8000107I7 M10 E11 L14 A27 L34I7-I24 HydrophobicContact CG2-CB 4.02Å; I7-I24 HydrophobicContact CG2-CG2 4.3Å; M10-I24 HydrophobicContact CB-CD1 4.48Å; M10-I24 HydrophobicContact CE-CD1 3.9Å; M10-I24 HydrophobicContact CG-CD1 4Å; M10-I24 HydrophobicContact SD-CD1 4.48Å; E11-I24 HydrophobicContact CG-CB 4.25Å; E11-I24 HydrophobicContact CG-CD1 3.85Å; E11-I24 HydrophobicContact CG-CG1 4.13Å; E11-I24 PolarHBondContact OE1-N 3.23Å; L14-I24 HydrophobicContact CD1-CD1 4.16Å; I24-A27 HydrophobicContact CG2-CB 4.06Å; I24-L34 HydrophobicContact CD1-CD2 3.77Å; I24-L34 HydrophobicContact CG1-CD1 4.46Å; I24-L34 HydrophobicContact CG1-CD2 4.23Å; I24-L34 HydrophobicContact CG2-CD2 4.37Å
25I96.7Very high97.3Very high70 Ų7082.2 Ų82.236%0.35938%0.379SS..EExtended strand (participates in β ladder)trans-98.3-47.5-179.8-51.9-56.1000109.9Y92 Y94I25-Y92 HydrophobicContact CB-CD1 3.58Å; I25-Y92 HydrophobicContact CB-CE1 4.19Å; I25-Y92 HydrophobicContact CB-CG 4.34Å; I25-Y92 WeakPolarHBondContact CB-O 3.34Å; I25-Y92 HydrophobicContact CG1-CD1 3.89Å; I25-Y92 HydrophobicContact CG1-CE1 4.06Å; I25-Y92 HydrophobicContact CG2-CD1 3.69Å; I25-Y92 HydrophobicContact CG2-CE1 4.14Å; I25-Y92 PolarHBondContact N-O 3.05Å; I25-Y94 HydrophobicContact CD1-CD2 4Å; I25-Y94 HydrophobicContact CD1-CE2 4.08Å; I25-Y94 HydrophobicContact CG1-CD2 3.74Å; I25-Y94 HydrophobicContact CG1-CE2 3.74Å
26T96.3Very high97.3Very high50 Ų5082 Ų8231%0.30738%0.376SS..EExtended strand (participates in β ladder)trans-144.6135178.8-51.20000108.8E28 Y90 Y92T26-E28 HydrophobicContact CG2-CG 4.24Å; T26-Y90 HydrophobicContact CG2-CD1 3.79Å; T26-Y90 HydrophobicContact CG2-CE1 4.13Å; T26-Y92 PolarHBondContact N-O 2.62Å; T26-Y92 PolarHBondContact O-N 3.19Å
27A96.6Very high97.3Very high36 Ų3673 Ų7330%0.29834%0.338SS..EExtended strand (participates in β ladder)trans-142.1101.9174.900000111.6I24 L34 L91I24-A27 HydrophobicContact CG2-CB 4.06Å; A27-L34 HydrophobicContact CB-CD2 4.12Å; A27-L91 VanDerWaalsContact CA-CD2 3.48Å; A27-L91 HydrophobicContact CB-CD2 3.53Å
28E96.2Very high97.4Very high74 Ų7467.2 Ų67.235%0.34631%0.31SS..  trans-96-1178-59.5-176.1-166.600112.9T26 H85 G88 Y90T26-E28 HydrophobicContact CG2-CG 4.24Å; E28-H85 IonicContact OE1-NE2 3.96Å; E28-G88 CarbonylContact C-O 3.55Å; E28-G88 CarbonylContact O-C 3.42Å; E28-G88 PolarHBondContact OE2-N 3.35Å; E28-Y90 WeakPolarHBondContact CB-O 3.27Å; E28-Y90 PolarHBondContact N-O 3.44Å
29V94.4Very high97.4Very high16 Ų1669.4 Ų69.410%0.09732%0.318CS..SBendtrans-103160.5176.1-50.30000111.2M33 F62 W71 L91V29-M33 HydrophobicContact CB-CB 4.29Å; V29-M33 HydrophobicContact CG2-CB 3.78Å; V29-F62 HydrophobicContact CG2-CE1 4.46Å; V29-W71 HydrophobicContact CG1-CH2 4.21Å; V29-L91 HydrophobicContact CB-CG 4.47Å; V29-L91 HydrophobicContact CG1-CG 4.2Å; V29-L91 HydrophobicContact CG2-CD1 3.52Å; V29-L91 HydrophobicContact CG2-CD2 3.46Å; V29-L91 VanDerWaalsContact CG2-CD2 3.46Å; V29-L91 HydrophobicContact CG2-CG 3.5Å; V29-L91 VanDerWaalsContact CG2-CG 3.5Å
30H94.1Very high97.4Very high148 Ų14863.4 Ų63.469%0.68529%0.286SS*.  trans-52.7143174.7-67.2-74.6000112.9K32 M33 L34H30-K32 PolarHBondContact O-N 3.38Å; H30-M33 WeakPolarHBondContact O-CA 3.44Å; H30-M33 WeakPolarHBondContact O-CB 3.47Å; H30-M33 PolarHBondContact O-N 2.94Å; H30-L34 PolarHBondContact O-N 3.4Å
31E95Very high97.4Very high98 Ų9859.5 Ų59.546%0.45827%0.271SS..Hα-helixtrans-47.8-38.4178.8174175.5165.900113.1M10 M33 L34 K35M10-E31 HydrophobicContact SD-CG 3.67Å; E31-M33 VanDerWaalsContact C-N 3.31Å; E31-M33 PolarHBondContact O-N 3.01Å; E31-L34 PolarHBondContact O-N 3.33Å; E31-K35 HydrophobicContact CG-CD 4.3Å; E31-K35 WeakPolarHBondContact O-CG 3.43Å; E31-K35 PolarHBondContact O-N 3.03Å; E31-K35 WeakPolarHBondContact OE1-CE 3.47Å; E31-K35 IonicContact OE1-NZ 3.74Å; E31-K35 PolarHBondContact OE1-NZ 2.76Å
32K96.5Very high97.4Very high166 Ų16651.2 Ų51.272%0.72224%0.241SC*.Hα-helixtrans-58.1-42.4176.8-174.5179.3178.9-178.40112.1H30 V36H30-K32 PolarHBondContact O-N 3.38Å; K32-V36 WeakPolarHBondContact O-CG2 3.42Å; K32-V36 PolarHBondContact O-N 2.94Å; K32-V36 VanDerWaalsContact O-N 3.11Å
33M97.6Very high97.4Very high15 Ų1553.7 Ų53.77%0.07425%0.252CS..Hα-helixtrans-74.9-37.9-179.8-70-53.3-6000112V29 H30 E31 K35 V36 A37 F62 A65 M66V29-M33 HydrophobicContact CB-CB 4.29Å; V29-M33 HydrophobicContact CG2-CB 3.78Å; H30-M33 WeakPolarHBondContact O-CA 3.44Å; H30-M33 WeakPolarHBondContact O-CB 3.47Å; H30-M33 PolarHBondContact O-N 2.94Å; E31-M33 VanDerWaalsContact C-N 3.31Å; E31-M33 PolarHBondContact O-N 3.01Å; M33-K35 VanDerWaalsContact C-N 3.32Å; M33-K35 PolarHBondContact O-N 2.92Å; M33-V36 WeakPolarHBondContact O-CB 3.38Å; M33-V36 PolarHBondContact O-N 2.81Å; M33-V36 VanDerWaalsContact O-N 3.15Å; M33-A37 PolarHBondContact O-N 2.83Å; M33-F62 HydrophobicContact CB-CE1 3.99Å; M33-F62 HydrophobicContact CB-CZ 3.9Å; M33-F62 HydrophobicContact CE-CB 4.43Å; M33-F62 HydrophobicContact CE-CD1 3.67Å; M33-F62 HydrophobicContact CE-CD2 3.62Å; M33-F62 HydrophobicContact CE-CE1 3.69Å; M33-F62 HydrophobicContact CE-CE2 3.62Å; M33-F62 HydrophobicContact CE-CG 3.65Å; M33-F62 HydrophobicContact CE-CZ 3.66Å; M33-F62 WeakPolarHBondContact O-CZ 3.25Å; M33-A65 HydrophobicContact CE-CB 3.74Å; M33-A65 HydrophobicContact SD-CB 3.81Å; M33-M66 HydrophobicContact CE-CG 4.07Å; M33-M66 HydrophobicContact CE-SD 4.32Å; M33-M66 HydrophobicContact CG-SD 3.71Å; M33-M66 HydrophobicContact SD-SD 4.14Å
34L98Very high97.4Very high2 Ų247.1 Ų47.11%0.0123%0.229CC..Hα-helixtrans-55.8-47.8170.1173.762.2000111.3M10 I24 A27 H30 E31 V36 A37 V38 L91 F93M10-L34 HydrophobicContact CE-CD2 3.4Å; M10-L34 HydrophobicContact SD-CD2 3.83Å; I24-L34 HydrophobicContact CD1-CD2 3.77Å; I24-L34 HydrophobicContact CG1-CD1 4.46Å; I24-L34 HydrophobicContact CG1-CD2 4.23Å; I24-L34 HydrophobicContact CG2-CD2 4.37Å; A27-L34 HydrophobicContact CB-CD2 4.12Å; H30-L34 PolarHBondContact O-N 3.4Å; E31-L34 PolarHBondContact O-N 3.33Å; L34-V36 VanDerWaalsContact C-N 3.3Å; L34-V36 PolarHBondContact O-N 2.94Å; L34-A37 PolarHBondContact O-N 3.02Å; L34-V38 HydrophobicContact CD1-CG2 4.19Å; L34-V38 WeakPolarHBondContact O-CG2 3.2Å; L34-V38 PolarHBondContact O-N 3.18Å; L34-L91 HydrophobicContact CB-CD2 4.41Å; L34-L91 HydrophobicContact CD1-CD1 4.25Å; L34-L91 HydrophobicContact CD1-CD2 3.95Å; L34-F93 HydrophobicContact CD1-CD1 4.47Å
35K98.2Very high97.5Very high86 Ų8648.6 Ų48.637%0.37424%0.237SC..Hα-helixtrans-60.2-38.5176-72.2178.5-178.7168.80112.5L14 E31 M33 R39L14-K35 HydrophobicContact CD2-CG 4.38Å; E31-K35 HydrophobicContact CG-CD 4.3Å; E31-K35 WeakPolarHBondContact O-CG 3.43Å; E31-K35 PolarHBondContact O-N 3.03Å; E31-K35 WeakPolarHBondContact OE1-CE 3.47Å; E31-K35 IonicContact OE1-NZ 3.74Å; E31-K35 PolarHBondContact OE1-NZ 2.76Å; M33-K35 VanDerWaalsContact C-N 3.32Å; M33-K35 PolarHBondContact O-N 2.92Å; K35-R39 WeakPolarHBondContact O-CB 3.41Å; K35-R39 PolarHBondContact O-N 3.37Å
36V98.5Very high97.5Very high33 Ų3352.2 Ų52.220%0.225%0.252CS..Hα-helixtrans-62.4-46.3174.7169.70000111.2K32 M33 L34 R39 L40 A61 F62K32-V36 WeakPolarHBondContact O-CG2 3.42Å; K32-V36 PolarHBondContact O-N 2.94Å; K32-V36 VanDerWaalsContact O-N 3.11Å; M33-V36 WeakPolarHBondContact O-CB 3.38Å; M33-V36 PolarHBondContact O-N 2.81Å; M33-V36 VanDerWaalsContact O-N 3.15Å; L34-V36 VanDerWaalsContact C-N 3.3Å; L34-V36 PolarHBondContact O-N 2.94Å; V36-R39 PolarHBondContact O-N 3.15Å; V36-L40 HydrophobicContact CG1-CD1 3.83Å; V36-L40 HydrophobicContact CG1-CG 4.37Å; V36-L40 WeakPolarHBondContact O-CB 3.35Å; V36-L40 VanDerWaalsContact O-CG 3.27Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 2.84Å; V36-A61 HydrophobicContact CG1-CB 4.3Å; V36-F62 HydrophobicContact CG1-CE2 4.5Å
37A98.8Very high97.6Very high0 Ų055.7 Ų55.70%026%0.263CS..Hα-helixtrans-60.6-47.6177.700000111.7M33 L34 L40 M41 F62 L91 F93 L102M33-A37 PolarHBondContact O-N 2.83Å; L34-A37 PolarHBondContact O-N 3.02Å; A37-L40 PolarHBondContact O-N 3.44Å; A37-M41 WeakPolarHBondContact O-CB 3.28Å; A37-M41 PolarHBondContact O-N 3.49Å; A37-F62 HydrophobicContact CB-CE2 3.83Å; A37-F62 HydrophobicContact CB-CZ 3.96Å; A37-L91 HydrophobicContact CB-CD1 4.11Å; A37-F93 HydrophobicContact CB-CE1 3.95Å; A37-F93 HydrophobicContact CB-CZ 4.05Å; A37-L102 HydrophobicContact CB-CD2 4.41Å
38V98.8Very high97.7Very high0 Ų063.1 Ų63.10%029%0.289CS..Hα-helixtrans-61.9-46.1178.9170.80000111.4L14 Y18 I22 L34 M41 C42 F93L14-V38 HydrophobicContact CD1-CG1 4.34Å; L14-V38 HydrophobicContact CD1-CG2 4.28Å; L14-V38 HydrophobicContact CD2-CG1 4.05Å; Y18-V38 HydrophobicContact CD2-CG1 4.11Å; Y18-V38 HydrophobicContact CE2-CG1 4.12Å; I22-V38 HydrophobicContact CD1-CG1 3.7Å; I22-V38 HydrophobicContact CG2-CG1 4.44Å; L34-V38 HydrophobicContact CD1-CG2 4.19Å; L34-V38 WeakPolarHBondContact O-CG2 3.2Å; L34-V38 PolarHBondContact O-N 3.18Å; V38-M41 PolarHBondContact O-N 2.83Å; V38-C42 WeakPolarHBondContact O-CB 3.39Å; V38-C42 PolarHBondContact O-N 3.01Å; V38-C42 PolarHBondContact O-SG 3.38Å; V38-F93 HydrophobicContact CG2-CD2 3.98Å; V38-F93 HydrophobicContact CG2-CE2 3.75Å; V38-F93 HydrophobicContact CG2-CZ 4.14Å
39R98.8Very high97.8Very high99 Ų9963.8 Ų63.837%0.37429%0.29SS..Hα-helixtrans-58.2-51.7177.3-178.9179.16999.5-4.8111.7Y18 K35 V36 M41 C42 E43Y18-R39 HydrophobicContact CE1-CB 4.29Å; Y18-R39 HydrophobicContact CE1-CG 4.14Å; Y18-R39 WeakPolarHBondContact OH-CB 3.04Å; Y18-R39 WeakPolarHBondContact OH-CG 3.05Å; K35-R39 WeakPolarHBondContact O-CB 3.41Å; K35-R39 PolarHBondContact O-N 3.37Å; V36-R39 PolarHBondContact O-N 3.15Å; R39-M41 VanDerWaalsContact C-N 3.29Å; R39-M41 PolarHBondContact O-N 3.11Å; R39-C42 PolarHBondContact O-N 2.95Å; R39-E43 WeakPolarHBondContact CD-OE1 3.19Å; R39-E43 HydrophobicContact CG-CG 4.24Å; R39-E43 WeakPolarHBondContact CG-OE1 3.39Å; R39-E43 IonicContact CZ-OE1 2.82Å; R39-E43 IonicContact NE-OE1 3.62Å; R39-E43 IonicContact NH1-OE1 3.5Å; R39-E43 PolarHBondContact NH1-OE1 3.34Å; R39-E43 WeakPolarHBondContact O-CB 3.42Å; R39-E43 WeakPolarHBondContact O-CG 3.45Å; R39-E43 PolarHBondContact O-N 3.45Å
40L98.9Very high98Very high23 Ų2366.7 Ų66.712%0.1231%0.31CS..Hα-helixtrans-62.9-37.7-178.8-69.5175.5000111.8V36 A37 G44 T57 I58 A61V36-L40 HydrophobicContact CG1-CD1 3.83Å; V36-L40 HydrophobicContact CG1-CG 4.37Å; V36-L40 WeakPolarHBondContact O-CB 3.35Å; V36-L40 VanDerWaalsContact O-CG 3.27Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 2.84Å; A37-L40 PolarHBondContact O-N 3.44Å; L40-G44 PolarHBondContact O-N 2.95Å; L40-T57 HydrophobicContact CD1-CG2 4.39Å; L40-T57 HydrophobicContact CD2-CG2 4.02Å; L40-I58 HydrophobicContact CB-CG1 3.76Å; L40-I58 HydrophobicContact CD1-CG1 4.23Å; L40-A61 HydrophobicContact CD1-CB 3.53Å
41M98.8Very high98.2Very high0 Ų062.9 Ų62.90%029%0.293CS..Hα-helixtrans-61.9-51173.3-173.964.8-156.100111.4A37 V38 R39 G44 L45 I54 I58 I75 F93 V95 L98 I100A37-M41 WeakPolarHBondContact O-CB 3.28Å; A37-M41 PolarHBondContact O-N 3.49Å; V38-M41 PolarHBondContact O-N 2.83Å; R39-M41 VanDerWaalsContact C-N 3.29Å; R39-M41 PolarHBondContact O-N 3.11Å; M41-G44 PolarHBondContact O-N 3Å; M41-L45 HydrophobicContact CE-CD1 3.67Å; M41-L45 HydrophobicContact CE-CD2 3.8Å; M41-L45 HydrophobicContact CE-CG 3.71Å; M41-L45 HydrophobicContact CG-CD1 4.48Å; M41-L45 WeakPolarHBondContact O-CG 3.4Å; M41-L45 PolarHBondContact O-N 2.97Å; M41-I54 HydrophobicContact SD-CG2 3.72Å; M41-I58 HydrophobicContact CB-CD1 4.34Å; M41-I75 HydrophobicContact CE-CG2 3.93Å; M41-I75 HydrophobicContact SD-CD1 3.85Å; M41-I75 HydrophobicContact SD-CG2 4.37Å; M41-F93 HydrophobicContact CB-CE2 4.42Å; M41-F93 HydrophobicContact CB-CZ 4.46Å; M41-V95 HydrophobicContact CB-CG2 4.35Å; M41-V95 HydrophobicContact CG-CB 4.17Å; M41-V95 HydrophobicContact CG-CG2 3.73Å; M41-L98 HydrophobicContact CE-CB 4.28Å; M41-L98 HydrophobicContact CE-CD1 3.55Å; M41-I100 HydrophobicContact CE-CD1 4.25Å; M41-I100 HydrophobicContact CE-CG1 4.32Å; M41-I100 HydrophobicContact CG-CD1 4Å; M41-I100 HydrophobicContact CG-CG1 3.97Å; M41-I100 HydrophobicContact SD-CD1 4.11Å; M41-I100 HydrophobicContact SD-CG1 3.69Å
42C98.8Very high98.3Very high5 Ų564.3 Ų64.33%0.03430%0.304CS..Hα-helixtrans-66.6-44.7-177.1-64.50000112.4Y18 V38 R39 G44 L45 Q46Y18-C42 HydrophobicContact CD1-CB 3.36Å; Y18-C42 HydrophobicContact CE1-CB 4.03Å; Y18-C42 HydrophobicContact CG-CB 3.74Å; V38-C42 WeakPolarHBondContact O-CB 3.39Å; V38-C42 PolarHBondContact O-N 3.01Å; V38-C42 PolarHBondContact O-SG 3.38Å; R39-C42 PolarHBondContact O-N 2.95Å; C42-G44 VanDerWaalsContact C-N 3.31Å; C42-G44 PolarHBondContact O-N 3.18Å; C42-L45 PolarHBondContact O-N 3.35Å; C42-Q46 WeakPolarHBondContact O-CB 3.32Å; C42-Q46 PolarHBondContact O-N 3.18Å
43E98.6Very high98.4Very high56 Ų5659.9 Ų59.926%0.26229%0.288SS..Hα-helixtrans-61.5-40175.2-73.9-175.3-150.400111.6R39 Q46 K47R39-E43 WeakPolarHBondContact CD-OE1 3.19Å; R39-E43 HydrophobicContact CG-CG 4.24Å; R39-E43 WeakPolarHBondContact CG-OE1 3.39Å; R39-E43 IonicContact CZ-OE1 2.82Å; R39-E43 IonicContact NE-OE1 3.62Å; R39-E43 IonicContact NH1-OE1 3.5Å; R39-E43 PolarHBondContact NH1-OE1 3.34Å; R39-E43 WeakPolarHBondContact O-CB 3.42Å; R39-E43 WeakPolarHBondContact O-CG 3.45Å; R39-E43 PolarHBondContact O-N 3.45Å; E43-Q46 PolarHBondContact O-N 2.89Å; E43-K47 WeakPolarHBondContact O-CB 3.22Å; E43-K47 VanDerWaalsContact O-CG 3.32Å; E43-K47 WeakPolarHBondContact O-CG 3.27Å; E43-K47 PolarHBondContact O-N 3.23Å; E43-K47 IonicContact OE2-NZ 2.7Å; E43-K47 PolarHBondContact OE2-NZ 2.92Å
44G98.7Very high98.5Very high5 Ų559.2 Ų59.25%0.05229%0.285CS..Hα-helixtrans-61.2-47.1176.900000112.4L40 M41 C42 K47 K48 K49L40-G44 PolarHBondContact O-N 2.95Å; M41-G44 PolarHBondContact O-N 3Å; C42-G44 VanDerWaalsContact C-N 3.31Å; C42-G44 PolarHBondContact O-N 3.18Å; G44-K47 CarbonylContact O-C 3.57Å; G44-K47 PolarHBondContact O-N 3.34Å; G44-K48 PolarHBondContact O-N 3.45Å; G44-K49 PolarHBondContact O-N 2.85Å
45L98.5Very high98.5Very high38 Ų3859.9 Ų59.920%0.19929%0.291CS..Hα-helixtrans-63.7-43.6176-69.4175.7000112.4M41 C42 K47 K48 I54 V95 L98M41-L45 HydrophobicContact CE-CD1 3.67Å; M41-L45 HydrophobicContact CE-CD2 3.8Å; M41-L45 HydrophobicContact CE-CG 3.71Å; M41-L45 HydrophobicContact CG-CD1 4.48Å; M41-L45 WeakPolarHBondContact O-CG 3.4Å; M41-L45 PolarHBondContact O-N 2.97Å; C42-L45 PolarHBondContact O-N 3.35Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3Å; L45-K48 PolarHBondContact O-N 3.43Å; L45-I54 HydrophobicContact CD2-CD1 4.31Å; L45-V95 HydrophobicContact CD1-CB 4.48Å; L45-V95 HydrophobicContact CD1-CG1 3.87Å; L45-L98 HydrophobicContact CD1-CD1 4.37Å; L45-L98 HydrophobicContact CD2-CD1 3.74Å
46Q98.1Very high98.5Very high146 Ų14660.9 Ų60.968%0.68230%0.297SS*.Hα-helixtrans-60.1-41178-173.4-177.71900111.4C42 E43 K48C42-Q46 WeakPolarHBondContact O-CB 3.32Å; C42-Q46 PolarHBondContact O-N 3.18Å; E43-Q46 PolarHBondContact O-N 2.89Å; Q46-K48 PolarHBondContact O-N 3.39Å
47K98.4Very high98.6Very high124 Ų12461.3 Ų61.354%0.53930%0.299SS..THydrogen-bonded Turntrans-80.35.1177-67.1169.5-176.1165.30113.3E43 G44 L45 K49E43-K47 WeakPolarHBondContact O-CB 3.22Å; E43-K47 VanDerWaalsContact O-CG 3.32Å; E43-K47 WeakPolarHBondContact O-CG 3.27Å; E43-K47 PolarHBondContact O-N 3.23Å; E43-K47 IonicContact OE2-NZ 2.7Å; E43-K47 PolarHBondContact OE2-NZ 2.92Å; G44-K47 CarbonylContact O-C 3.57Å; G44-K47 PolarHBondContact O-N 3.34Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3Å; K47-K49 HydrophobicContact CB-CG 4.15Å; K47-K49 PolarHBondContact O-N 2.97Å
48K97.9Very high98.6Very high192 Ų19261.3 Ų61.384%0.83530%0.299SS*.THydrogen-bonded Turntrans50.936.4-177.9-58.7-180179.9177.80113.1G44 L45 Q46G44-K48 PolarHBondContact O-N 3.45Å; L45-K48 PolarHBondContact O-N 3.43Å; Q46-K48 PolarHBondContact O-N 3.39Å
49K98.4Very high98.5Very high88 Ų8862 Ų6238%0.38330%0.304SS..  trans-66.3147.7177.3-69.7-169.8174.8-170.20110.6G44 K47 I51 I54G44-K49 PolarHBondContact O-N 2.85Å; K47-K49 HydrophobicContact CB-CG 4.15Å; K47-K49 PolarHBondContact O-N 2.97Å; K49-I51 PolarHBondContact O-N 3.03Å; K49-I54 HydrophobicContact CB-CD1 4.22Å; K49-I54 HydrophobicContact CB-CG1 3.81Å
50P98.3Very high98.5Very high77 Ų7764.3 Ų64.350%0.531%0.313SS..  trans-52139.7165.7-23.333000110.7N52 D53 I54P50-N52 PolarHBondContact O-N 2.98Å; P50-D53 HydrophobicContact CB-CB 4.47Å; P50-D53 WeakPolarHBondContact CD-OD2 3.47Å; P50-D53 WeakPolarHBondContact O-CB 3.38Å; P50-D53 PolarHBondContact O-N 2.84Å; P50-I54 PolarHBondContact O-N 2.85Å
51I98.2Very high98.5Very high67 Ų6764.5 Ų64.534%0.34432%0.318SS..Hα-helixtrans-57.4-38-177.2-73172.6000111.6K49 D53 I54 A55 I75 L98K49-I51 PolarHBondContact O-N 3.03Å; I51-D53 VanDerWaalsContact C-N 3.33Å; I51-D53 PolarHBondContact O-N 2.86Å; I51-I54 WeakPolarHBondContact O-CB 3.41Å; I51-I54 PolarHBondContact O-N 3.48Å; I51-I54 VanDerWaalsContact O-N 3.16Å; I51-A55 PolarHBondContact O-N 3.05Å; I51-I75 HydrophobicContact CG2-CB 3.62Å; I51-I75 HydrophobicContact CG2-CD1 4.38Å; I51-I75 HydrophobicContact CG2-CG2 3.7Å; I51-L98 HydrophobicContact CD1-CD2 4.4Å
52N98.1Very high98.4Very high129 Ų12964.5 Ų64.569%0.6932%0.318SS*.Hα-helixtrans-61.1-41.9178.5-65-5.2000111.5P50 I54 A55 E56P50-N52 PolarHBondContact O-N 2.98Å; N52-I54 VanDerWaalsContact C-N 3.3Å; N52-I54 PolarHBondContact O-N 3.45Å; N52-A55 PolarHBondContact O-N 2.82Å; N52-E56 WeakPolarHBondContact O-CB 3.38Å; N52-E56 PolarHBondContact O-N 3.17Å
53D98.7Very high98.4Very high72 Ų7270 Ų7039%0.38534%0.337SS..Hα-helixtrans-65.2-35.3177.2-60.111.2000111.7P50 I51 T57P50-D53 HydrophobicContact CB-CB 4.47Å; P50-D53 WeakPolarHBondContact CD-OD2 3.47Å; P50-D53 WeakPolarHBondContact O-CB 3.38Å; P50-D53 PolarHBondContact O-N 2.84Å; I51-D53 VanDerWaalsContact C-N 3.33Å; I51-D53 PolarHBondContact O-N 2.86Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.32Å; D53-T57 PolarHBondContact O-N 3.06Å; D53-T57 PolarHBondContact O-OG1 3.42Å
54I98.9Very high98.3Very high2 Ų276 Ų761%0.0136%0.363CS..Hα-helixtrans-66.3-48.4175.6-57174.7000109.7M41 L45 K49 P50 I51 N52 E56 T57 I58 I75M41-I54 HydrophobicContact SD-CG2 3.72Å; L45-I54 HydrophobicContact CD2-CD1 4.31Å; K49-I54 HydrophobicContact CB-CD1 4.22Å; K49-I54 HydrophobicContact CB-CG1 3.81Å; P50-I54 PolarHBondContact O-N 2.85Å; I51-I54 WeakPolarHBondContact O-CB 3.41Å; I51-I54 PolarHBondContact O-N 3.48Å; I51-I54 VanDerWaalsContact O-N 3.16Å; N52-I54 VanDerWaalsContact C-N 3.3Å; N52-I54 PolarHBondContact O-N 3.45Å; I54-E56 VanDerWaalsContact C-N 3.35Å; I54-E56 PolarHBondContact O-N 2.89Å; I54-T57 PolarHBondContact O-N 3.42Å; I54-I58 HydrophobicContact CG2-CD1 3.97Å; I54-I58 WeakPolarHBondContact O-CG1 3.47Å; I54-I58 PolarHBondContact O-N 3.31Å; I54-I75 HydrophobicContact CB-CD1 4.27Å; I54-I75 HydrophobicContact CG2-CD1 4.05Å
55A98.8Very high98.1Very high15 Ų1578.6 Ų78.612%0.12438%0.384CS..Hα-helixtrans-58.2-46.3177.400000111.5I51 N52 T57 I58 V59 C73 I75I51-A55 PolarHBondContact O-N 3.05Å; N52-A55 PolarHBondContact O-N 2.82Å; A55-T57 PolarHBondContact O-N 2.97Å; A55-I58 PolarHBondContact O-N 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.46Å; A55-V59 PolarHBondContact O-N 3.41Å; A55-C73 HydrophobicContact CB-CB 4.15Å; A55-I75 HydrophobicContact CB-CD1 3.8Å; A55-I75 HydrophobicContact CB-CG1 4.26Å
56E98.6Very high97.9Very high107 Ų10778.9 Ų78.950%0.539%0.385SS..Hα-helixtrans-62.7-42.6177.1-167.5-169.3161.300111.8N52 I54 I58 V59 R60N52-E56 WeakPolarHBondContact O-CB 3.38Å; N52-E56 PolarHBondContact O-N 3.17Å; I54-E56 VanDerWaalsContact C-N 3.35Å; I54-E56 PolarHBondContact O-N 2.89Å; E56-I58 VanDerWaalsContact C-N 3.32Å; E56-I58 PolarHBondContact O-N 3.45Å; E56-V59 PolarHBondContact O-N 3.16Å; E56-R60 WeakPolarHBondContact O-CB 3.49Å; E56-R60 PolarHBondContact O-N 2.94Å; E56-R60 IonicContact OE1-CZ 2.73Å; E56-R60 IonicContact OE1-NH2 2.62Å; E56-R60 PolarHBondContact OE1-NH2 2.8Å
57T98.7Very high97.6Very high42 Ų4280.7 Ų80.726%0.25839%0.39SS..Hα-helixtrans-60.2-43.2177.6-61.30000111.2L40 D53 I54 A55 A61L40-T57 HydrophobicContact CD1-CG2 4.39Å; L40-T57 HydrophobicContact CD2-CG2 4.02Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.32Å; D53-T57 PolarHBondContact O-N 3.06Å; D53-T57 PolarHBondContact O-OG1 3.42Å; I54-T57 PolarHBondContact O-N 3.42Å; A55-T57 PolarHBondContact O-N 2.97Å; T57-A61 WeakPolarHBondContact O-CB 3.49Å; T57-A61 PolarHBondContact O-N 2.99Å
58I98.8Very high97.2Very high0 Ų076.8 Ų76.80%037%0.374CS..Hα-helixtrans-63.7-49.9177.2-69.4168.3000110.6L40 M41 I54 A55 E56 R60 A61 F62 I75 L102L40-I58 HydrophobicContact CB-CG1 3.76Å; L40-I58 HydrophobicContact CD1-CG1 4.23Å; M41-I58 HydrophobicContact CB-CD1 4.34Å; I54-I58 HydrophobicContact CG2-CD1 3.97Å; I54-I58 WeakPolarHBondContact O-CG1 3.47Å; I54-I58 PolarHBondContact O-N 3.31Å; A55-I58 PolarHBondContact O-N 3.22Å; E56-I58 VanDerWaalsContact C-N 3.32Å; E56-I58 PolarHBondContact O-N 3.45Å; I58-R60 VanDerWaalsContact C-N 3.33Å; I58-R60 PolarHBondContact O-N 2.68Å; I58-A61 WeakPolarHBondContact O-CB 3.33Å; I58-A61 PolarHBondContact O-N 2.76Å; I58-A61 VanDerWaalsContact O-N 3.17Å; I58-F62 HydrophobicContact CG2-CD2 4.19Å; I58-F62 HydrophobicContact CG2-CE2 4.31Å; I58-F62 WeakPolarHBondContact O-CD2 3.47Å; I58-F62 PolarHBondContact O-N 3.07Å; I58-I75 HydrophobicContact CD1-CD1 4.39Å; I58-L102 HydrophobicContact CG2-CD1 4.15Å; I58-L102 HydrophobicContact CG2-CD2 3.61Å; I58-L102 HydrophobicContact CG2-CG 4.45Å
59V98.5Very high96.7Very high16 Ų1670 Ų7010%0.09735%0.354CS..Hα-helixtrans-57.4-46.4178.1167.30000110.9A55 E56 A61 F62 R63 W71 C73 L102A55-V59 WeakPolarHBondContact O-CG2 3.46Å; A55-V59 PolarHBondContact O-N 3.41Å; E56-V59 PolarHBondContact O-N 3.16Å; V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 3.28Å; V59-F62 PolarHBondContact O-N 2.9Å; V59-R63 HydrophobicContact CG1-CG 4.2Å; V59-R63 WeakPolarHBondContact O-CB 3.38Å; V59-R63 VanDerWaalsContact O-CG 3.31Å; V59-R63 WeakPolarHBondContact O-CG 3.35Å; V59-R63 PolarHBondContact O-N 3.22Å; V59-W71 HydrophobicContact CG1-CB 4.06Å; V59-W71 WeakPolarHBondContact CG1-O 3.33Å; V59-C73 HydrophobicContact CG2-CB 3.52Å; V59-L102 HydrophobicContact CG2-CD1 4.41Å
60R98.3Very high96.5Very high147 Ų14769.2 Ų69.256%0.55535%0.351SS*.Hα-helixtrans-60.5-40.6178.8-168.3-176.3-60.1154.6-0112E56 I58 K64E56-R60 WeakPolarHBondContact O-CB 3.49Å; E56-R60 PolarHBondContact O-N 2.94Å; E56-R60 IonicContact OE1-CZ 2.73Å; E56-R60 IonicContact OE1-NH2 2.62Å; E56-R60 PolarHBondContact OE1-NH2 2.8Å; I58-R60 VanDerWaalsContact C-N 3.33Å; I58-R60 PolarHBondContact O-N 2.68Å; R60-K64 WeakPolarHBondContact O-CB 3.37Å; R60-K64 PolarHBondContact O-N 3.22Å
61A98.1Very high96.5Very high27 Ų2765.7 Ų65.722%0.22333%0.328CS..Hα-helixtrans-64.4-43.3176.600000111.9V36 L40 T57 I58 V59 K64 A65V36-A61 HydrophobicContact CG1-CB 4.3Å; L40-A61 HydrophobicContact CD1-CB 3.53Å; T57-A61 WeakPolarHBondContact O-CB 3.49Å; T57-A61 PolarHBondContact O-N 2.99Å; I58-A61 WeakPolarHBondContact O-CB 3.33Å; I58-A61 PolarHBondContact O-N 2.76Å; I58-A61 VanDerWaalsContact O-N 3.17Å; V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 3.28Å; A61-K64 PolarHBondContact O-N 2.96Å; A61-A65 WeakPolarHBondContact O-CB 3.41Å; A61-A65 PolarHBondContact O-N 3.43Å
62F98Very high96.4Very high0 Ų066 Ų660%033%0.328CS..Hα-helixtrans-68.9-43.5178.6-88.5-113.1000112.4V29 M33 V36 A37 I58 V59 K64 A65 M66 W71 L91 L102V29-F62 HydrophobicContact CG2-CE1 4.46Å; M33-F62 HydrophobicContact CB-CE1 3.99Å; M33-F62 HydrophobicContact CB-CZ 3.9Å; M33-F62 HydrophobicContact CE-CB 4.43Å; M33-F62 HydrophobicContact CE-CD1 3.67Å; M33-F62 HydrophobicContact CE-CD2 3.62Å; M33-F62 HydrophobicContact CE-CE1 3.69Å; M33-F62 HydrophobicContact CE-CE2 3.62Å; M33-F62 HydrophobicContact CE-CG 3.65Å; M33-F62 HydrophobicContact CE-CZ 3.66Å; M33-F62 WeakPolarHBondContact O-CZ 3.25Å; V36-F62 HydrophobicContact CG1-CE2 4.5Å; A37-F62 HydrophobicContact CB-CE2 3.83Å; A37-F62 HydrophobicContact CB-CZ 3.96Å; I58-F62 HydrophobicContact CG2-CD2 4.19Å; I58-F62 HydrophobicContact CG2-CE2 4.31Å; I58-F62 WeakPolarHBondContact O-CD2 3.47Å; I58-F62 PolarHBondContact O-N 3.07Å; V59-F62 PolarHBondContact O-N 2.9Å; F62-K64 VanDerWaalsContact C-N 3.31Å; F62-K64 PolarHBondContact O-N 2.82Å; F62-A65 PolarHBondContact O-N 3.47Å; F62-M66 HydrophobicContact CD1-CG 4.46Å; F62-M66 VanDerWaalsContact O-CB 3.27Å; F62-M66 WeakPolarHBondContact O-CB 3.36Å; F62-M66 WeakPolarHBondContact O-CG 3.28Å; F62-M66 PolarHBondContact O-N 2.9Å; F62-W71 HydrophobicContact CB-CD2 3.83Å; F62-W71 HydrophobicContact CB-CE3 4.27Å; F62-W71 HydrophobicContact CB-CG 3.97Å; F62-W71 HydrophobicContact CD1-CD2 4.11Å; F62-W71 AromaticContact CD1-CE3 3.88Å; F62-W71 HydrophobicContact CD1-CE3 3.88Å; F62-W71 AromaticContact CD1-CH2 3.65Å; F62-W71 HydrophobicContact CD1-CH2 3.65Å; F62-W71 AromaticContact CD1-CZ2 3.89Å; F62-W71 HydrophobicContact CD1-CZ2 3.89Å; F62-W71 AromaticContact CD1-CZ3 3.64Å; F62-W71 HydrophobicContact CD1-CZ3 3.64Å; F62-W71 HydrophobicContact CE1-CH2 4.18Å; F62-W71 HydrophobicContact CE1-CZ3 4.16Å; F62-W71 HydrophobicContact CG-CD2 4.42Å; F62-W71 HydrophobicContact CG-CE3 4.42Å; F62-L91 HydrophobicContact CE1-CD1 4.07Å; F62-L91 HydrophobicContact CZ-CD1 3.76Å; F62-L102 HydrophobicContact CD1-CD2 3.69Å; F62-L102 HydrophobicContact CD1-CG 4.42Å; F62-L102 HydrophobicContact CD2-CD2 3.7Å; F62-L102 HydrophobicContact CE1-CD2 3.47Å; F62-L102 VanDerWaalsContact CE1-CD2 3.47Å; F62-L102 HydrophobicContact CE1-CG 4.41Å; F62-L102 HydrophobicContact CE2-CD2 3.49Å; F62-L102 VanDerWaalsContact CE2-CD2 3.49Å; F62-L102 HydrophobicContact CG-CD2 3.79Å; F62-L102 HydrophobicContact CZ-CD2 3.36Å
63R96.9Very high96.5Very high119 Ų11960.9 Ų60.945%0.44930%0.302SS..Hα-helixtrans-54.4-47.6172.9-72.9177.7175178.71.4111.6V59 K67 H68 A69 W71V59-R63 HydrophobicContact CG1-CG 4.2Å; V59-R63 WeakPolarHBondContact O-CB 3.38Å; V59-R63 VanDerWaalsContact O-CG 3.31Å; V59-R63 WeakPolarHBondContact O-CG 3.35Å; V59-R63 PolarHBondContact O-N 3.22Å; R63-K67 VanDerWaalsContact O-CA 3.24Å; R63-K67 WeakPolarHBondContact O-CA 3.43Å; R63-K67 PolarHBondContact O-N 3.21Å; R63-H68 WeakPolarHBondContact CA-O 3.43Å; R63-H68 WeakPolarHBondContact CG-O 3.46Å; R63-A69 VanDerWaalsContact CZ-O 3.24Å; R63-A69 PolarHBondContact NE-O 2.85Å; R63-A69 PolarHBondContact NH2-O 2.98Å; R63-W71 HydrophobicContact CG-CB 4.2Å; R63-W71 HydrophobicContact CG-CG 4.4Å
64K96.5Very high96.5Very high182 Ų18260.2 Ų60.279%0.79130%0.3SS*.Hα-helixtrans-68-45179.8-175.8177.4-1801780112.8R60 A61 F62R60-K64 WeakPolarHBondContact O-CB 3.37Å; R60-K64 PolarHBondContact O-N 3.22Å; A61-K64 PolarHBondContact O-N 2.96Å; F62-K64 VanDerWaalsContact C-N 3.31Å; F62-K64 PolarHBondContact O-N 2.82Å
65A96.1Very high96.5Very high61 Ų6161.1 Ų61.150%0.50431%0.305SS..Hα-helixtrans-75.6-39-173.800000112.9M33 A61 F62M33-A65 HydrophobicContact CE-CB 3.74Å; M33-A65 HydrophobicContact SD-CB 3.81Å; A61-A65 WeakPolarHBondContact O-CB 3.41Å; A61-A65 PolarHBondContact O-N 3.43Å; F62-A65 PolarHBondContact O-N 3.47Å
66M93.8Very high96.4Very high43 Ų4361.1 Ų61.121%0.21231%0.306CS..Hα-helixtrans-95.6-9.7-176.7-56.3-64.8-69.100112.8M33 F62 H68 W71 Y89M33-M66 HydrophobicContact CE-CG 4.07Å; M33-M66 HydrophobicContact CE-SD 4.32Å; M33-M66 HydrophobicContact CG-SD 3.71Å; M33-M66 HydrophobicContact SD-SD 4.14Å; F62-M66 HydrophobicContact CD1-CG 4.46Å; F62-M66 VanDerWaalsContact O-CB 3.27Å; F62-M66 WeakPolarHBondContact O-CB 3.36Å; F62-M66 WeakPolarHBondContact O-CG 3.28Å; F62-M66 PolarHBondContact O-N 2.9Å; M66-H68 VanDerWaalsContact C-N 3.3Å; M66-H68 PolarHBondContact O-CD2 3.17Å; M66-H68 PolarHBondContact O-N 3.38Å; M66-H68 PolarHBondContact O-NE2 3.06Å; M66-W71 HydrophobicContact CB-CZ2 4.12Å; M66-W71 HydrophobicContact CG-CZ2 3.91Å; M66-Y89 HydrophobicContact CE-CD1 4.21Å; M66-Y89 HydrophobicContact CE-CE1 3.81Å
67K91.7Very high96.4Very high184 Ų18462.7 Ų62.780%0.831%0.312SS*.  trans57.536.4-178.7-56-178.1178-179.90114.3R63R63-K67 VanDerWaalsContact O-CA 3.24Å; R63-K67 WeakPolarHBondContact O-CA 3.43Å; R63-K67 PolarHBondContact O-N 3.21Å
68H90.8Very high96.1Very high42 Ų4272.1 Ų72.119%0.19434%0.342CS..  trans-122.1141.9173.1-57.3-63.9000111R63 M66 W71 Y89 R104R63-H68 WeakPolarHBondContact CA-O 3.43Å; R63-H68 WeakPolarHBondContact CG-O 3.46Å; M66-H68 VanDerWaalsContact C-N 3.3Å; M66-H68 PolarHBondContact O-CD2 3.17Å; M66-H68 PolarHBondContact O-N 3.38Å; M66-H68 PolarHBondContact O-NE2 3.06Å; H68-W71 VanDerWaalsContact O-CD1 3.25Å; H68-Y89 AromaticContact CD2-CE1 3.92Å; H68-Y89 AromaticContact NE2-CE1 3.72Å; H68-Y89 AromaticContact NE2-CZ 3.81Å; H68-R104 PolarHBondContact ND1-NH1 3Å
69A87.1Confident96.1Very high49 Ų4975.4 Ų75.441%0.40536%0.355SS..SBendtrans-81.3-36.7-175.100000113.7R63 W71R63-A69 VanDerWaalsContact CZ-O 3.24Å; R63-A69 PolarHBondContact NE-O 2.85Å; R63-A69 PolarHBondContact NH2-O 2.98Å; A69-W71 VanDerWaalsContact C-N 3.34Å; A69-W71 PolarHBondContact O-N 3.48Å
70H93.7Very high96Very high73 Ų7378.5 Ų78.534%0.33839%0.391SS..  trans-91.851.5-164.1-66.5-92.5000115.2H72 R104 T105 E107H70-H72 PolarHBondContact O-CD2 3.34Å; H70-H72 PolarHBondContact O-NE2 3.39Å; H70-R104 VanDerWaalsContact O-CA 3.3Å; H70-R104 WeakPolarHBondContact O-CA 3.36Å; H70-T105 WeakPolarHBondContact CB-O 3.34Å; H70-T105 WeakPolarHBondContact CB-OG1 3.33Å; H70-T105 PolarHBondContact O-N 2.88Å; H70-E107 VanDerWaalsContact CD2-CD 3.48Å; H70-E107 WeakPolarHBondContact CD2-CG 3.41Å; H70-E107 IonicContact CD2-OE1 3.17Å; H70-E107 PolarHBondContact CD2-OE1 3.25Å; H70-E107 WeakPolarHBondContact NE2-CG 3.1Å; H70-E107 IonicContact NE2-OE1 3.61Å
71W97.5Very high95.8Very high2 Ų274.7 Ų74.71%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-86.3139.2170.1-72.194.9000112V29 V59 F62 R63 M66 H68 A69 Y89 L102 R104V29-W71 HydrophobicContact CG1-CH2 4.21Å; V59-W71 HydrophobicContact CG1-CB 4.06Å; V59-W71 WeakPolarHBondContact CG1-O 3.33Å; F62-W71 HydrophobicContact CB-CD2 3.83Å; F62-W71 HydrophobicContact CB-CE3 4.27Å; F62-W71 HydrophobicContact CB-CG 3.97Å; F62-W71 HydrophobicContact CD1-CD2 4.11Å; F62-W71 AromaticContact CD1-CE3 3.88Å; F62-W71 HydrophobicContact CD1-CE3 3.88Å; F62-W71 AromaticContact CD1-CH2 3.65Å; F62-W71 HydrophobicContact CD1-CH2 3.65Å; F62-W71 AromaticContact CD1-CZ2 3.89Å; F62-W71 HydrophobicContact CD1-CZ2 3.89Å; F62-W71 AromaticContact CD1-CZ3 3.64Å; F62-W71 HydrophobicContact CD1-CZ3 3.64Å; F62-W71 HydrophobicContact CE1-CH2 4.18Å; F62-W71 HydrophobicContact CE1-CZ3 4.16Å; F62-W71 HydrophobicContact CG-CD2 4.42Å; F62-W71 HydrophobicContact CG-CE3 4.42Å; R63-W71 HydrophobicContact CG-CB 4.2Å; R63-W71 HydrophobicContact CG-CG 4.4Å; M66-W71 HydrophobicContact CB-CZ2 4.12Å; M66-W71 HydrophobicContact CG-CZ2 3.91Å; H68-W71 VanDerWaalsContact O-CD1 3.25Å; A69-W71 VanDerWaalsContact C-N 3.34Å; A69-W71 PolarHBondContact O-N 3.48Å; W71-Y89 AromaticContact CH2-CD1 3.83Å; W71-Y89 HydrophobicContact CH2-CD1 3.83Å; W71-Y89 HydrophobicContact CH2-CG 4.3Å; W71-Y89 AromaticContact CZ2-CD1 3.76Å; W71-Y89 HydrophobicContact CZ2-CD1 3.76Å; W71-Y89 HydrophobicContact CZ2-CG 4.47Å; W71-Y89 WeakPolarHBondContact CZ3-O 3.21Å; W71-L102 HydrophobicContact CE3-CD1 3.8Å; W71-L102 HydrophobicContact CE3-CG 3.98Å; W71-L102 HydrophobicContact CZ3-CD1 4.46Å; W71-L102 HydrophobicContact CZ3-CG 4.14Å; W71-R104 HydrophobicContact CD2-CB 4.17Å; W71-R104 HydrophobicContact CE3-CB 4.18Å; W71-R104 HydrophobicContact CH2-CB 4.29Å; W71-R104 HydrophobicContact CZ2-CB 4.27Å; W71-R104 HydrophobicContact CZ3-CB 4.24Å
72H97.8Very high95.7Very high73 Ų7381.1 Ų81.134%0.33842%0.417SS..EExtended strand (participates in β ladder)trans-129.7138.5178.4-53-84.2000110H70 L102 F103 T105H70-H72 PolarHBondContact O-CD2 3.34Å; H70-H72 PolarHBondContact O-NE2 3.39Å; H72-L102 WeakPolarHBondContact O-CA 3.38Å; H72-L102 WeakPolarHBondContact O-CD1 3.34Å; H72-F103 HydrophobicContact CB-CD1 4.35Å; H72-F103 HydrophobicContact CB-CD2 4.48Å; H72-F103 HydrophobicContact CB-CE1 3.88Å; H72-F103 HydrophobicContact CB-CE2 4.04Å; H72-F103 HydrophobicContact CB-CZ 3.72Å; H72-F103 AromaticContact CD2-CE2 3.87Å; H72-F103 PolarHBondContact N-O 2.9Å; H72-F103 PolarHBondContact O-N 3.31Å; H72-T105 PolarHBondContact NE2-OG1 3.04Å
73C98.6Very high95.6Very high23 Ų2383.6 Ų83.616%0.15543%0.432CS..EExtended strand (participates in β ladder)trans-129.7128.7176.7-172.30000110.6A55 V59 M101 L102A55-C73 HydrophobicContact CB-CB 4.15Å; V59-C73 HydrophobicContact CG2-CB 3.52Å; C73-M101 CarbonylContact C-O 3.52Å; C73-M101 WeakPolarHBondContact CA-O 3.41Å; C73-L102 HydrophobicContact CB-CD1 4.01Å
74V98.5Very high95.4Very high57 Ų5783 Ų8335%0.34545%0.446SS..EExtended strand (participates in β ladder)trans-117.5129.6175-177.20000107.9Y79 I100 M101 F103V74-Y79 HydrophobicContact CG1-CD1 4.43Å; V74-Y79 HydrophobicContact CG1-CE1 4.31Å; V74-I100 WeakPolarHBondContact O-CA 3.29Å; V74-M101 HydrophobicContact CB-CB 4.43Å; V74-M101 HydrophobicContact CB-CE 4.13Å; V74-M101 HydrophobicContact CG2-CE 3.95Å; V74-M101 PolarHBondContact N-O 2.82Å; V74-M101 PolarHBondContact O-N 2.7Å; V74-F103 HydrophobicContact CG2-CE1 4.49Å
75I98.7Very high95.3Very high22 Ų2277.8 Ų77.811%0.11343%0.425CS..EExtended strand (participates in β ladder)trans-130.2127.7178.9-55.3175.8000108.4M41 I51 I54 A55 I58 L98 A99 I100M41-I75 HydrophobicContact CE-CG2 3.93Å; M41-I75 HydrophobicContact SD-CD1 3.85Å; M41-I75 HydrophobicContact SD-CG2 4.37Å; I51-I75 HydrophobicContact CG2-CB 3.62Å; I51-I75 HydrophobicContact CG2-CD1 4.38Å; I51-I75 HydrophobicContact CG2-CG2 3.7Å; I54-I75 HydrophobicContact CB-CD1 4.27Å; I54-I75 HydrophobicContact CG2-CD1 4.05Å; A55-I75 HydrophobicContact CB-CD1 3.8Å; A55-I75 HydrophobicContact CB-CG1 4.26Å; I58-I75 HydrophobicContact CD1-CD1 4.39Å; I75-L98 HydrophobicContact CG2-CB 4.39Å; I75-L98 HydrophobicContact CG2-CD1 4.46Å; I75-L98 HydrophobicContact CG2-CD2 4.48Å; I75-A99 WeakPolarHBondContact CA-O 3.38Å; I75-I100 HydrophobicContact CG1-CG1 4.25Å; I75-I100 HydrophobicContact CG1-CG2 4.29Å; I75-I100 HydrophobicContact CG2-CG1 4.37Å
76G98.2Very high95.3Very high14 Ų1476.1 Ų76.114%0.14441%0.406CS..EExtended strand (participates in β ladder)trans-173.8165.2179.100000113.7A99G76-A99 PolarHBondContact N-O 2.65Å; G76-A99 PolarHBondContact O-N 3.41Å
77K97.8Very high95.3Very high141 Ų14182 Ų8261%0.61343%0.433SS*.SBendtrans-78.5-36.5177.3-66.8-174.6178.4-174.70112.7L98K77-L98 HydrophobicContact CG-CD2 3.72Å
78R93.5Very high95.4Very high239 Ų23974.6 Ų74.690%0.90241%0.41SS*.SBendtrans-148.1126.9-177.6-62.6-177.3-178.5176.5-0.7108.5
79Y97.2Very high95.7Very high69 Ų6975.3 Ų75.327%0.27141%0.411SS..  trans-159.5154.1171.650.6-98.6000108.9V74 Y92 A99V74-Y79 HydrophobicContact CG1-CD1 4.43Å; V74-Y79 HydrophobicContact CG1-CE1 4.31Å; Y79-Y92 WeakPolarHBondContact OH-CE2 3.43Å; Y79-A99 HydrophobicContact CE1-CB 3.72Å; Y79-A99 VanDerWaalsContact OH-CB 3.28Å; Y79-A99 WeakPolarHBondContact OH-CB 3.44Å; Y79-A99 PolarHBondContact OH-O 2.83Å
80G96.3Very high96.2Very high82 Ų8274.3 Ų74.385%0.84540%0.397SS*.  trans-96.4144.716100000109
81S95Very high96.4Very high66 Ų6670.8 Ų70.846%0.46238%0.381SS..  trans-133.6128.9178.2550000110.6
82N96.5Very high96.5Very high163 Ų16372.8 Ų72.887%0.87239%0.389SS*.  trans-127.794.7164.7-176.10.1000106.8
83V94.9Very high96.5Very high51 Ų5169.4 Ų69.431%0.30937%0.373SS..  trans-126.1134.4-172.9-59.80000110M101 F103V83-M101 HydrophobicContact CG1-CE 4.15Å; V83-M101 HydrophobicContact CG2-CE 4.24Å; V83-M101 HydrophobicContact CG2-SD 3.98Å; V83-F103 HydrophobicContact CB-CE2 4.05Å; V83-F103 HydrophobicContact CB-CZ 3.99Å; V83-F103 HydrophobicContact CG1-CE1 4.39Å; V83-F103 HydrophobicContact CG1-CE2 4.43Å; V83-F103 HydrophobicContact CG1-CZ 3.89Å; V83-F103 HydrophobicContact CG2-CD1 4.5Å; V83-F103 HydrophobicContact CG2-CD2 4.49Å; V83-F103 HydrophobicContact CG2-CE1 4.31Å; V83-F103 HydrophobicContact CG2-CE2 4.28Å; V83-F103 HydrophobicContact CG2-CZ 4.19Å
84S94.1Very high96.5Very high107 Ų10771.9 Ų71.975%0.74838%0.379SS*.  trans-84.8135.4164.8-53.40000108.8
85H94.4Very high96.5Very high73 Ų7369.1 Ų69.134%0.33836%0.363SS..  trans-139.4165.3178.663.8-85.6000109.5E28 Y90 F103 R104E28-H85 IonicContact OE1-NE2 3.96Å; H85-Y90 HydrophobicContact CB-CD2 4.43Å; H85-Y90 AromaticContact CD2-CD2 3.89Å; H85-Y90 AromaticContact CE1-CD2 3.88Å; H85-Y90 AromaticContact CG-CD2 3.8Å; H85-Y90 AromaticContact ND1-CD2 3.81Å; H85-Y90 AromaticContact NE2-CD2 3.94Å; H85-Y90 AromaticContact NE2-CG 3.93Å; H85-F103 HydrophobicContact CB-CB 3.9Å; H85-F103 HydrophobicContact CB-CD2 3.86Å; H85-F103 HydrophobicContact CB-CG 4.25Å; H85-R104 CarbonylContact C-O 3.55Å; H85-R104 VanDerWaalsContact CA-O 3.29Å; H85-R104 WeakPolarHBondContact CA-O 3.46Å; H85-R104 WeakPolarHBondContact CB-O 3.22Å
86E94.9Very high96.5Very high25 Ų2571 Ų7112%0.11737%0.373CS..  trans-83.6129.9173.2-169.9176.6155.700111.1Y89 R104 R106E86-Y89 HydrophobicContact CB-CD2 4.12Å; E86-Y89 HydrophobicContact CG-CD2 3.82Å; E86-Y89 HydrophobicContact CG-CE2 4.26Å; E86-Y89 PolarHBondContact O-N 3.15Å; E86-Y89 VanDerWaalsContact O-N 3.15Å; E86-Y89 WeakPolarHBondContact OE1-CE2 3.48Å; E86-R104 PolarHBondContact N-O 2.7Å; E86-R104 IonicContact OE1-CZ 3.31Å; E86-R104 IonicContact OE1-NE 2.7Å; E86-R104 IonicContact OE1-NH2 2.9Å; E86-R104 PolarHBondContact OE1-NH2 2.97Å; E86-R104 IonicContact OE2-CZ 3.92Å; E86-R104 IonicContact OE2-NE 3.56Å; E86-R104 PolarHBondContact OE2-NE 3.02Å; E86-R104 IonicContact OE2-NH1 2.65Å; E86-R104 IonicContact OE2-NH2 2.83Å; E86-R104 PolarHBondContact OE2-NH2 3.45Å; E86-R106 HydrophobicContact CB-CG 4.05Å; E86-R106 HydrophobicContact CG-CG 3.89Å; E86-R106 WeakPolarHBondContact OE2-CG 3.49Å
87Q94.1Very high96.5Very high166 Ų16676.8 Ų76.878%0.77640%0.396SS*.THydrogen-bonded Turntrans-55.8137.1177.7-173.3178.19.200111.1Y89Q87-Y89 VanDerWaalsContact C-N 3.31Å; Q87-Y89 WeakPolarHBondContact O-CD2 3.49Å
88G94.8Very high96.5Very high30 Ų3071 Ų7131%0.30937%0.372SS..THydrogen-bonded Turntrans87.8-3.2-177.300000113.9E28E28-G88 CarbonylContact C-O 3.55Å; E28-G88 CarbonylContact O-C 3.42Å; E28-G88 PolarHBondContact OE2-N 3.35Å
89Y96.7Very high96.8Very high56 Ų5659.7 Ų59.722%0.2233%0.33CS..  trans-130.339.7-175.2-60.2-79.3000112.6M66 H68 W71 E86 Q87 F103 R104M66-Y89 HydrophobicContact CE-CD1 4.21Å; M66-Y89 HydrophobicContact CE-CE1 3.81Å; H68-Y89 AromaticContact CD2-CE1 3.92Å; H68-Y89 AromaticContact NE2-CE1 3.72Å; H68-Y89 AromaticContact NE2-CZ 3.81Å; W71-Y89 AromaticContact CH2-CD1 3.83Å; W71-Y89 HydrophobicContact CH2-CD1 3.83Å; W71-Y89 HydrophobicContact CH2-CG 4.3Å; W71-Y89 AromaticContact CZ2-CD1 3.76Å; W71-Y89 HydrophobicContact CZ2-CD1 3.76Å; W71-Y89 HydrophobicContact CZ2-CG 4.47Å; W71-Y89 WeakPolarHBondContact CZ3-O 3.21Å; E86-Y89 HydrophobicContact CB-CD2 4.12Å; E86-Y89 HydrophobicContact CG-CD2 3.82Å; E86-Y89 HydrophobicContact CG-CE2 4.26Å; E86-Y89 PolarHBondContact O-N 3.15Å; E86-Y89 VanDerWaalsContact O-N 3.15Å; E86-Y89 WeakPolarHBondContact OE1-CE2 3.48Å; Q87-Y89 VanDerWaalsContact C-N 3.31Å; Q87-Y89 WeakPolarHBondContact O-CD2 3.49Å; Y89-F103 CarbonylContact O-C 3.58Å; Y89-F103 VanDerWaalsContact O-CA 3.25Å; Y89-F103 WeakPolarHBondContact O-CA 3.48Å; Y89-R104 HydrophobicContact CG-CB 4.17Å; Y89-R104 PolarHBondContact O-N 2.88Å
90Y97.8Very high96.8Very high28 Ų2856.4 Ų56.411%0.1132%0.317CS..EExtended strand (participates in β ladder)trans-121.5139.5178.8-172.1-94.6000112.3T26 E28 H85 M101 L102 F103T26-Y90 HydrophobicContact CG2-CD1 3.79Å; T26-Y90 HydrophobicContact CG2-CE1 4.13Å; E28-Y90 WeakPolarHBondContact CB-O 3.27Å; E28-Y90 PolarHBondContact N-O 3.44Å; H85-Y90 HydrophobicContact CB-CD2 4.43Å; H85-Y90 AromaticContact CD2-CD2 3.89Å; H85-Y90 AromaticContact CE1-CD2 3.88Å; H85-Y90 AromaticContact CG-CD2 3.8Å; H85-Y90 AromaticContact ND1-CD2 3.81Å; H85-Y90 AromaticContact NE2-CD2 3.94Å; H85-Y90 AromaticContact NE2-CG 3.93Å; Y90-M101 HydrophobicContact CE2-CG 3.84Å; Y90-M101 HydrophobicContact CE2-SD 4.04Å; Y90-M101 PolarHBondContact OH-SD 2.88Å; Y90-L102 CarbonylContact C-O 3.57Å; Y90-F103 HydrophobicContact CD2-CB 3.61Å; Y90-F103 HydrophobicContact CD2-CG 4.49Å; Y90-F103 HydrophobicContact CE2-CB 4.17Å
91L98.3Very high97Very high0 Ų052.7 Ų52.70%028%0.278CS..EExtended strand (participates in β ladder)trans-136.7131.8171.8-79.9-172.6000110A27 V29 L34 A37 F62 M101 L102A27-L91 VanDerWaalsContact CA-CD2 3.48Å; A27-L91 HydrophobicContact CB-CD2 3.53Å; V29-L91 HydrophobicContact CB-CG 4.47Å; V29-L91 HydrophobicContact CG1-CG 4.2Å; V29-L91 HydrophobicContact CG2-CD1 3.52Å; V29-L91 HydrophobicContact CG2-CD2 3.46Å; V29-L91 VanDerWaalsContact CG2-CD2 3.46Å; V29-L91 HydrophobicContact CG2-CG 3.5Å; V29-L91 VanDerWaalsContact CG2-CG 3.5Å; L34-L91 HydrophobicContact CB-CD2 4.41Å; L34-L91 HydrophobicContact CD1-CD1 4.25Å; L34-L91 HydrophobicContact CD1-CD2 3.95Å; A37-L91 HydrophobicContact CB-CD1 4.11Å; F62-L91 HydrophobicContact CE1-CD1 4.07Å; F62-L91 HydrophobicContact CZ-CD1 3.76Å; L91-M101 WeakPolarHBondContact O-CA 3.31Å; L91-L102 HydrophobicContact CB-CB 4.19Å; L91-L102 HydrophobicContact CD1-CD2 4.23Å; L91-L102 PolarHBondContact N-O 3.5Å; L91-L102 PolarHBondContact O-N 3.4Å
92Y98.2Very high97.1Very high44 Ų4449.6 Ų49.617%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-137.4118.9170.3-173.4-131000111.2I25 T26 Y79 Y94 A99 I100 M101I25-Y92 HydrophobicContact CB-CD1 3.58Å; I25-Y92 HydrophobicContact CB-CE1 4.19Å; I25-Y92 HydrophobicContact CB-CG 4.34Å; I25-Y92 WeakPolarHBondContact CB-O 3.34Å; I25-Y92 HydrophobicContact CG1-CD1 3.89Å; I25-Y92 HydrophobicContact CG1-CE1 4.06Å; I25-Y92 HydrophobicContact CG2-CD1 3.69Å; I25-Y92 HydrophobicContact CG2-CE1 4.14Å; I25-Y92 PolarHBondContact N-O 3.05Å; T26-Y92 PolarHBondContact N-O 2.62Å; T26-Y92 PolarHBondContact O-N 3.19Å; Y79-Y92 WeakPolarHBondContact OH-CE2 3.43Å; Y92-Y94 HydrophobicContact CE1-CE2 4.01Å; Y92-Y94 AromaticContact CZ-CE2 3.86Å; Y92-Y94 PolarHBondContact OH-OH 3.21Å; Y92-A99 HydrophobicContact CE2-CB 3.92Å; Y92-I100 WeakPolarHBondContact CA-O 3.46Å; Y92-I100 VanDerWaalsContact CD2-O 3.32Å; Y92-I100 WeakPolarHBondContact CD2-O 3.24Å; Y92-M101 HydrophobicContact CD2-CB 3.97Å; Y92-M101 HydrophobicContact CD2-CG 4.49Å; Y92-M101 HydrophobicContact CE2-CB 4.42Å
93F98.5Very high97.2Very high1 Ų142.6 Ų42.60%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-149.6164.2-178.868.7-83.4000111.5R23 L34 A37 V38 M41 V95 I100R23-F93 CarbonylContact O-C 3.46Å; R23-F93 WeakPolarHBondContact O-CA 3.34Å; R23-F93 VanDerWaalsContact O-CB 3.25Å; R23-F93 WeakPolarHBondContact O-CB 3.25Å; L34-F93 HydrophobicContact CD1-CD1 4.47Å; A37-F93 HydrophobicContact CB-CE1 3.95Å; A37-F93 HydrophobicContact CB-CZ 4.05Å; V38-F93 HydrophobicContact CG2-CD2 3.98Å; V38-F93 HydrophobicContact CG2-CE2 3.75Å; V38-F93 HydrophobicContact CG2-CZ 4.14Å; M41-F93 HydrophobicContact CB-CE2 4.42Å; M41-F93 HydrophobicContact CB-CZ 4.46Å; F93-V95 HydrophobicContact CD2-CG2 3.92Å; F93-V95 HydrophobicContact CE2-CG2 3.63Å; F93-I100 HydrophobicContact CD1-CB 4.14Å; F93-I100 HydrophobicContact CD1-CG2 4.32Å; F93-I100 HydrophobicContact CD2-CB 4.41Å; F93-I100 HydrophobicContact CD2-CD1 4.22Å; F93-I100 HydrophobicContact CE1-CB 3.76Å; F93-I100 HydrophobicContact CE1-CG2 3.56Å; F93-I100 HydrophobicContact CE2-CB 4.06Å; F93-I100 HydrophobicContact CE2-CD1 3.94Å; F93-I100 HydrophobicContact CE2-CG1 4.02Å; F93-I100 HydrophobicContact CE2-CG2 4.47Å; F93-I100 HydrophobicContact CG-CB 4.45Å; F93-I100 HydrophobicContact CZ-CB 3.72Å; F93-I100 HydrophobicContact CZ-CD1 4.41Å; F93-I100 HydrophobicContact CZ-CG1 3.98Å; F93-I100 HydrophobicContact CZ-CG2 3.65Å; F93-I100 PolarHBondContact N-O 3.36Å; F93-I100 PolarHBondContact O-N 2.98Å
94Y98.6Very high97.3Very high75 Ų7540.4 Ų40.429%0.29420%0.204SC..EExtended strand (participates in β ladder)trans-112.6142.3175.3-72.2-98.8000110.8I22 R23 I25 Y92 L98 A99I22-Y94 WeakPolarHBondContact CA-O 3.4Å; R23-Y94 PolarHBondContact N-O 2.98Å; R23-Y94 PolarHBondContact O-N 2.73Å; I25-Y94 HydrophobicContact CD1-CD2 4Å; I25-Y94 HydrophobicContact CD1-CE2 4.08Å; I25-Y94 HydrophobicContact CG1-CD2 3.74Å; I25-Y94 HydrophobicContact CG1-CE2 3.74Å; Y92-Y94 HydrophobicContact CE1-CE2 4.01Å; Y92-Y94 AromaticContact CZ-CE2 3.86Å; Y92-Y94 PolarHBondContact OH-OH 3.21Å; Y94-L98 CarbonylContact C-O 3.58Å; Y94-L98 VanDerWaalsContact CA-O 3.24Å; Y94-L98 WeakPolarHBondContact CA-O 3.3Å; Y94-A99 HydrophobicContact CD1-CB 3.9Å; Y94-A99 HydrophobicContact CE1-CB 3.5Å; Y94-A99 VanDerWaalsContact CE1-CB 3.5Å
95V98.7Very high97.3Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-124.2115.9162-175.10000107.7R20 R21 I22 M41 L45 F93 Q97 L98 I100R20-V95 HydrophobicContact CB-CG1 4.1Å; R20-V95 HydrophobicContact CG-CG1 4.31Å; R21-V95 CarbonylContact O-C 3.56Å; R21-V95 WeakPolarHBondContact O-CA 3.32Å; I22-V95 HydrophobicContact CG1-CG1 4.48Å; I22-V95 HydrophobicContact CG1-CG2 4.32Å; M41-V95 HydrophobicContact CB-CG2 4.35Å; M41-V95 HydrophobicContact CG-CB 4.17Å; M41-V95 HydrophobicContact CG-CG2 3.73Å; L45-V95 HydrophobicContact CD1-CB 4.48Å; L45-V95 HydrophobicContact CD1-CG1 3.87Å; F93-V95 HydrophobicContact CD2-CG2 3.92Å; F93-V95 HydrophobicContact CE2-CG2 3.63Å; V95-Q97 PolarHBondContact O-N 3.34Å; V95-L98 PolarHBondContact N-O 3.37Å; V95-L98 PolarHBondContact O-N 3.07Å; V95-I100 HydrophobicContact CB-CD1 4.22Å; V95-I100 HydrophobicContact CG2-CD1 4Å
96D98.2Very high97Very high61 Ų6142.1 Ų42.133%0.32620%0.195SC..THydrogen-bonded Turntrans53.3-105.4-170.6-56.6-32.2000112.2R20 R21R20-D96 WeakPolarHBondContact CD-OD2 3.5Å; R20-D96 IonicContact CZ-OD2 3.52Å; R20-D96 IonicContact NE-OD2 2.9Å; R20-D96 IonicContact NH1-OD2 3.71Å; R20-D96 PolarHBondContact NH1-OD2 2.85Å; R21-D96 PolarHBondContact N-OD1 3.41Å; R21-D96 PolarHBondContact O-N 2.77Å
97Q97.9Very high96.2Very high135 Ų13543.7 Ų43.763%0.63120%0.203SC*.THydrogen-bonded Turntrans-106.4-3179-63.1-178.4-10.300113.1V95V95-Q97 PolarHBondContact O-N 3.34Å
98L98.6Very high94.8Very high19 Ų1946.8 Ų46.810%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-93.2130.8-178.7-66.8170.3000109.1M41 L45 I51 I75 K77 Y94 V95 I100M41-L98 HydrophobicContact CE-CB 4.28Å; M41-L98 HydrophobicContact CE-CD1 3.55Å; L45-L98 HydrophobicContact CD1-CD1 4.37Å; L45-L98 HydrophobicContact CD2-CD1 3.74Å; I51-L98 HydrophobicContact CD1-CD2 4.4Å; I75-L98 HydrophobicContact CG2-CB 4.39Å; I75-L98 HydrophobicContact CG2-CD1 4.46Å; I75-L98 HydrophobicContact CG2-CD2 4.48Å; K77-L98 HydrophobicContact CG-CD2 3.72Å; Y94-L98 CarbonylContact C-O 3.58Å; Y94-L98 VanDerWaalsContact CA-O 3.24Å; Y94-L98 WeakPolarHBondContact CA-O 3.3Å; V95-L98 PolarHBondContact N-O 3.37Å; V95-L98 PolarHBondContact O-N 3.07Å; L98-I100 HydrophobicContact CB-CD1 4.29Å; L98-I100 WeakPolarHBondContact O-CD1 3.38Å
99A98.6Very high93.2Very high3 Ų350.8 Ų50.83%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-91.8134.2167.800000108.6I75 G76 Y79 Y92 Y94I75-A99 WeakPolarHBondContact CA-O 3.38Å; G76-A99 PolarHBondContact N-O 2.65Å; G76-A99 PolarHBondContact O-N 3.41Å; Y79-A99 HydrophobicContact CE1-CB 3.72Å; Y79-A99 VanDerWaalsContact OH-CB 3.28Å; Y79-A99 WeakPolarHBondContact OH-CB 3.44Å; Y79-A99 PolarHBondContact OH-O 2.83Å; Y92-A99 HydrophobicContact CE2-CB 3.92Å; Y94-A99 HydrophobicContact CD1-CB 3.9Å; Y94-A99 HydrophobicContact CE1-CB 3.5Å; Y94-A99 VanDerWaalsContact CE1-CB 3.5Å
100I98.7Very high91.2Very high0 Ų052.5 Ų52.50%024%0.239CC..EExtended strand (participates in β ladder)trans-120.6114.9179.6-59.777.3000106.9M41 V74 I75 Y92 F93 V95 L98M41-I100 HydrophobicContact CE-CD1 4.25Å; M41-I100 HydrophobicContact CE-CG1 4.32Å; M41-I100 HydrophobicContact CG-CD1 4Å; M41-I100 HydrophobicContact CG-CG1 3.97Å; M41-I100 HydrophobicContact SD-CD1 4.11Å; M41-I100 HydrophobicContact SD-CG1 3.69Å; V74-I100 WeakPolarHBondContact O-CA 3.29Å; I75-I100 HydrophobicContact CG1-CG1 4.25Å; I75-I100 HydrophobicContact CG1-CG2 4.29Å; I75-I100 HydrophobicContact CG2-CG1 4.37Å; Y92-I100 WeakPolarHBondContact CA-O 3.46Å; Y92-I100 VanDerWaalsContact CD2-O 3.32Å; Y92-I100 WeakPolarHBondContact CD2-O 3.24Å; F93-I100 HydrophobicContact CD1-CB 4.14Å; F93-I100 HydrophobicContact CD1-CG2 4.32Å; F93-I100 HydrophobicContact CD2-CB 4.41Å; F93-I100 HydrophobicContact CD2-CD1 4.22Å; F93-I100 HydrophobicContact CE1-CB 3.76Å; F93-I100 HydrophobicContact CE1-CG2 3.56Å; F93-I100 HydrophobicContact CE2-CB 4.06Å; F93-I100 HydrophobicContact CE2-CD1 3.94Å; F93-I100 HydrophobicContact CE2-CG1 4.02Å; F93-I100 HydrophobicContact CE2-CG2 4.47Å; F93-I100 HydrophobicContact CG-CB 4.45Å; F93-I100 HydrophobicContact CZ-CB 3.72Å; F93-I100 HydrophobicContact CZ-CD1 4.41Å; F93-I100 HydrophobicContact CZ-CG1 3.98Å; F93-I100 HydrophobicContact CZ-CG2 3.65Å; F93-I100 PolarHBondContact N-O 3.36Å; F93-I100 PolarHBondContact O-N 2.98Å; V95-I100 HydrophobicContact CB-CD1 4.22Å; V95-I100 HydrophobicContact CG2-CD1 4Å; L98-I100 HydrophobicContact CB-CD1 4.29Å; L98-I100 WeakPolarHBondContact O-CD1 3.38Å
101M98.6Very high88.9Confident4 Ų460.2 Ų60.22%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-110.6122.7171.9-176175.661.100108.6C73 V74 V83 Y90 L91 Y92 F103C73-M101 CarbonylContact C-O 3.52Å; C73-M101 WeakPolarHBondContact CA-O 3.41Å; V74-M101 HydrophobicContact CB-CB 4.43Å; V74-M101 HydrophobicContact CB-CE 4.13Å; V74-M101 HydrophobicContact CG2-CE 3.95Å; V74-M101 PolarHBondContact N-O 2.82Å; V74-M101 PolarHBondContact O-N 2.7Å; V83-M101 HydrophobicContact CG1-CE 4.15Å; V83-M101 HydrophobicContact CG2-CE 4.24Å; V83-M101 HydrophobicContact CG2-SD 3.98Å; Y90-M101 HydrophobicContact CE2-CG 3.84Å; Y90-M101 HydrophobicContact CE2-SD 4.04Å; Y90-M101 PolarHBondContact OH-SD 2.88Å; L91-M101 WeakPolarHBondContact O-CA 3.31Å; Y92-M101 HydrophobicContact CD2-CB 3.97Å; Y92-M101 HydrophobicContact CD2-CG 4.49Å; Y92-M101 HydrophobicContact CE2-CB 4.42Å; M101-F103 HydrophobicContact CE-CD1 4.31Å; M101-F103 HydrophobicContact CE-CE1 3.8Å; M101-F103 HydrophobicContact CG-CD1 3.93Å; M101-F103 HydrophobicContact CG-CE1 4.35Å; M101-F103 HydrophobicContact SD-CD1 4.4Å; M101-F103 HydrophobicContact SD-CE1 4.44Å
102L98.6Very high86.7Confident0 Ų065.7 Ų65.70%030%0.297CS..EExtended strand (participates in β ladder)trans-129.7124179.5170.967.1000108.5A37 I58 V59 F62 W71 H72 C73 Y90 L91A37-L102 HydrophobicContact CB-CD2 4.41Å; I58-L102 HydrophobicContact CG2-CD1 4.15Å; I58-L102 HydrophobicContact CG2-CD2 3.61Å; I58-L102 HydrophobicContact CG2-CG 4.45Å; V59-L102 HydrophobicContact CG2-CD1 4.41Å; F62-L102 HydrophobicContact CD1-CD2 3.69Å; F62-L102 HydrophobicContact CD1-CG 4.42Å; F62-L102 HydrophobicContact CD2-CD2 3.7Å; F62-L102 HydrophobicContact CE1-CD2 3.47Å; F62-L102 VanDerWaalsContact CE1-CD2 3.47Å; F62-L102 HydrophobicContact CE1-CG 4.41Å; F62-L102 HydrophobicContact CE2-CD2 3.49Å; F62-L102 VanDerWaalsContact CE2-CD2 3.49Å; F62-L102 HydrophobicContact CG-CD2 3.79Å; F62-L102 HydrophobicContact CZ-CD2 3.36Å; W71-L102 HydrophobicContact CE3-CD1 3.8Å; W71-L102 HydrophobicContact CE3-CG 3.98Å; W71-L102 HydrophobicContact CZ3-CD1 4.46Å; W71-L102 HydrophobicContact CZ3-CG 4.14Å; H72-L102 WeakPolarHBondContact O-CA 3.38Å; H72-L102 WeakPolarHBondContact O-CD1 3.34Å; C73-L102 HydrophobicContact CB-CD1 4.01Å; Y90-L102 CarbonylContact C-O 3.57Å; L91-L102 HydrophobicContact CB-CB 4.19Å; L91-L102 HydrophobicContact CD1-CD2 4.23Å; L91-L102 PolarHBondContact N-O 3.5Å; L91-L102 PolarHBondContact O-N 3.4Å
103F98.1Very high84.5Confident16 Ų1671.1 Ų71.17%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-149.5151.6-174.662.5-80.4000112.3H72 V74 V83 H85 Y89 Y90 M101 T105H72-F103 HydrophobicContact CB-CD1 4.35Å; H72-F103 HydrophobicContact CB-CD2 4.48Å; H72-F103 HydrophobicContact CB-CE1 3.88Å; H72-F103 HydrophobicContact CB-CE2 4.04Å; H72-F103 HydrophobicContact CB-CZ 3.72Å; H72-F103 AromaticContact CD2-CE2 3.87Å; H72-F103 PolarHBondContact N-O 2.9Å; H72-F103 PolarHBondContact O-N 3.31Å; V74-F103 HydrophobicContact CG2-CE1 4.49Å; V83-F103 HydrophobicContact CB-CE2 4.05Å; V83-F103 HydrophobicContact CB-CZ 3.99Å; V83-F103 HydrophobicContact CG1-CE1 4.39Å; V83-F103 HydrophobicContact CG1-CE2 4.43Å; V83-F103 HydrophobicContact CG1-CZ 3.89Å; V83-F103 HydrophobicContact CG2-CD1 4.5Å; V83-F103 HydrophobicContact CG2-CD2 4.49Å; V83-F103 HydrophobicContact CG2-CE1 4.31Å; V83-F103 HydrophobicContact CG2-CE2 4.28Å; V83-F103 HydrophobicContact CG2-CZ 4.19Å; H85-F103 HydrophobicContact CB-CB 3.9Å; H85-F103 HydrophobicContact CB-CD2 3.86Å; H85-F103 HydrophobicContact CB-CG 4.25Å; Y89-F103 CarbonylContact O-C 3.58Å; Y89-F103 VanDerWaalsContact O-CA 3.25Å; Y89-F103 WeakPolarHBondContact O-CA 3.48Å; Y90-F103 HydrophobicContact CD2-CB 3.61Å; Y90-F103 HydrophobicContact CD2-CG 4.49Å; Y90-F103 HydrophobicContact CE2-CB 4.17Å; M101-F103 HydrophobicContact CE-CD1 4.31Å; M101-F103 HydrophobicContact CE-CE1 3.8Å; M101-F103 HydrophobicContact CG-CD1 3.93Å; M101-F103 HydrophobicContact CG-CE1 4.35Å; M101-F103 HydrophobicContact SD-CD1 4.4Å; M101-F103 HydrophobicContact SD-CE1 4.44Å; F103-T105 HydrophobicContact CD2-CG2 4.16Å; F103-T105 HydrophobicContact CE2-CG2 3.96Å
104R96.5Very high82.3Confident5 Ų578.8 Ų78.82%0.01937%0.37CS..EExtended strand (participates in β ladder)trans-95.9142.6169.3-175.3174.7117.9102.4-10.5110.4H68 H70 W71 H85 E86 Y89 E110H68-R104 PolarHBondContact ND1-NH1 3Å; H70-R104 VanDerWaalsContact O-CA 3.3Å; H70-R104 WeakPolarHBondContact O-CA 3.36Å; W71-R104 HydrophobicContact CD2-CB 4.17Å; W71-R104 HydrophobicContact CE3-CB 4.18Å; W71-R104 HydrophobicContact CH2-CB 4.29Å; W71-R104 HydrophobicContact CZ2-CB 4.27Å; W71-R104 HydrophobicContact CZ3-CB 4.24Å; H85-R104 CarbonylContact C-O 3.55Å; H85-R104 VanDerWaalsContact CA-O 3.29Å; H85-R104 WeakPolarHBondContact CA-O 3.46Å; H85-R104 WeakPolarHBondContact CB-O 3.22Å; E86-R104 PolarHBondContact N-O 2.7Å; E86-R104 IonicContact OE1-CZ 3.31Å; E86-R104 IonicContact OE1-NE 2.7Å; E86-R104 IonicContact OE1-NH2 2.9Å; E86-R104 PolarHBondContact OE1-NH2 2.97Å; E86-R104 IonicContact OE2-CZ 3.92Å; E86-R104 IonicContact OE2-NE 3.56Å; E86-R104 PolarHBondContact OE2-NE 3.02Å; E86-R104 IonicContact OE2-NH1 2.65Å; E86-R104 IonicContact OE2-NH2 2.83Å; E86-R104 PolarHBondContact OE2-NH2 3.45Å; Y89-R104 HydrophobicContact CG-CB 4.17Å; Y89-R104 PolarHBondContact O-N 2.88Å; R104-E110 IonicContact CZ-OE1 3.72Å; R104-E110 IonicContact CZ-OE2 3.49Å; R104-E110 IonicContact NH1-OE1 2.83Å; R104-E110 PolarHBondContact NH1-OE1 3Å; R104-E110 IonicContact NH1-OE2 3.6Å; R104-E110 PolarHBondContact NH1-OE2 3.35Å; R104-E110 IonicContact NH2-OE1 3.77Å; R104-E110 PolarHBondContact NH2-OE1 3.27Å; R104-E110 IonicContact NH2-OE2 3.92Å; R104-E110 PolarHBondContact NH2-OE2 2.71Å
105T95Very high80.2Confident37 Ų3784.8 Ų84.823%0.22739%0.394CS..  trans-105.8147.6163.756.90000109.6H70 H72 F103H70-T105 WeakPolarHBondContact CB-O 3.34Å; H70-T105 WeakPolarHBondContact CB-OG1 3.33Å; H70-T105 PolarHBondContact O-N 2.88Å; H72-T105 PolarHBondContact NE2-OG1 3.04Å; F103-T105 HydrophobicContact CD2-CG2 4.16Å; F103-T105 HydrophobicContact CE2-CG2 3.96Å
106R88.1Confident77.7Confident180 Ų18092.1 Ų92.168%0.67943%0.433SS*.  trans-62147173.2-70.6-176.4179.2179.5-0.2111.5E86E86-R106 HydrophobicContact CB-CG 4.05Å; E86-R106 HydrophobicContact CG-CG 3.89Å; E86-R106 WeakPolarHBondContact OE2-CG 3.49Å
107E76.7Confident75.1Confident58 Ų58100.7 Ų100.727%0.27148%0.479SS..  trans-72.5141.3165.9-69.6-173.5-165.600109.5H70 C109 E110H70-E107 VanDerWaalsContact CD2-CD 3.48Å; H70-E107 WeakPolarHBondContact CD2-CG 3.41Å; H70-E107 IonicContact CD2-OE1 3.17Å; H70-E107 PolarHBondContact CD2-OE1 3.25Å; H70-E107 WeakPolarHBondContact NE2-CG 3.1Å; H70-E107 IonicContact NE2-OE1 3.61Å; E107-C109 PolarHBondContact O-N 3.17Å; E107-E110 HydrophobicContact CB-CB 4.07Å; E107-E110 HydrophobicContact CB-CG 3.77Å; E107-E110 HydrophobicContact CG-CG 4.29Å
108R65.9Low74Confident230 Ų23099 Ų9987%0.86847%0.471SS*.THydrogen-bonded Turntrans-63.8-21.4170.5-88.2-173.5173.4-178.7-1.6112.2
109C60.1Low72.7Confident114 Ų114103.2 Ų103.277%0.7749%0.491SS*.THydrogen-bonded Turntrans-105.41.5-175.5-62.50000114.9E107 R111E107-C109 PolarHBondContact O-N 3.17Å; C109-R111 PolarHBondContact O-N 3.14Å; C109-R111 VanDerWaalsContact O-N 3.14Å
110E55.8Low71.3Confident93 Ų93108.7 Ų108.744%0.43552%0.517SS..  trans-78.221.5167.3-81.1171.4-179.300111.5R104 E107R104-E110 IonicContact CZ-OE1 3.72Å; R104-E110 IonicContact CZ-OE2 3.49Å; R104-E110 IonicContact NH1-OE1 2.83Å; R104-E110 PolarHBondContact NH1-OE1 3Å; R104-E110 IonicContact NH1-OE2 3.6Å; R104-E110 PolarHBondContact NH1-OE2 3.35Å; R104-E110 IonicContact NH2-OE1 3.77Å; R104-E110 PolarHBondContact NH2-OE1 3.27Å; R104-E110 IonicContact NH2-OE2 3.92Å; R104-E110 PolarHBondContact NH2-OE2 2.71Å; E107-E110 HydrophobicContact CB-CB 4.07Å; E107-E110 HydrophobicContact CB-CG 3.77Å; E107-E110 HydrophobicContact CG-CG 4.29Å
111R49.5Very low69.6Low189 Ų189115.1 Ų115.171%0.71355%0.547SS*.SBendtrans-101.2116170.7-75.5-166.2-70.9-175.63108.1C109C109-R111 PolarHBondContact O-N 3.14Å; C109-R111 VanDerWaalsContact O-N 3.14Å
112D52.2Low67.8Low116 Ų116122.1 Ų122.162%0.6258%0.58SS**SBendtrans96.332.2152.5-43.7-29.6000119.2
113D52.6Low65.8Low158 Ų158130.2 Ų130.285%0.84562%0.619SS**  trans-95.6-1.3157.9-74.7-14.5000113.2Y115D113-Y115 PolarHBondContact O-N 3.44Å
114D51.7Low63.5Low161 Ų161138.4 Ų138.486%0.86166%0.658SS**  trans-88.631.9171.5-71.2-25.4000112.6D116D114-D116 VanDerWaalsContact C-N 3.26Å; D114-D116 PolarHBondContact O-N 3.32Å
115Y53.5Low60.9Low201 Ų201148.6 Ų148.679%0.78871%0.707SS**  trans-9270.7155.6-86.1-84.3000108D113D113-Y115 PolarHBondContact O-N 3.44Å
116D46.4Very low58.1Low154 Ų154157.9 Ų157.982%0.82475%0.747SS**  trans-84.3128.2158.1-94.6-32000108.1D114D114-D116 VanDerWaalsContact C-N 3.26Å; D114-D116 PolarHBondContact O-N 3.32Å
117D44.7Very low55.4Low241 Ų241155.9 Ų155.9100%1.28975%0.753SS**  trans75.90-177.1-86.6-28.8000119

Retrieved 117 of 117 residues in 74.4 ms (Link to these results)

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