G4VLH9_SCHMA Loading...

HECT-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession G4VLH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 829 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
1M32.3Very low53.2Low156 Ų15676.4 Ų76.477%0.76844%0.443SS*.  094.40-82.6158.1156.600107.3E415M1-E415 HydrophobicContact CE-CG 4.04Å; M1-E415 WeakPolarHBondContact CE-OE1 3.45Å; M1-E415 WeakPolarHBondContact CE-OE2 3.32Å; M1-E415 VanDerWaalsContact SD-CD 3.59Å; M1-E415 HydrophobicContact SD-CG 4.12Å
2S25.8Very low56.5Low118 Ų11877.2 Ų77.283%0.82544%0.439SS*.  trans-138.374.7-165.838.70000106
3S29Very low59.3Low87 Ų8771.4 Ų71.461%0.60841%0.406SS*.  trans-177.6103.9174.854.90000108.3
4E30.8Very low61.8Low124 Ų12471.6 Ų71.658%0.57940%0.4SS*.  trans163.81.9156.4-98.6166.7-174.500113.5G6 R417 F425E4-G6 PolarHBondContact O-N 2.99Å; E4-G6 VanDerWaalsContact O-N 3.15Å; E4-R417 IonicContact OE1-NH1 2.65Å; E4-R417 PolarHBondContact OE1-NH1 2.71Å; E4-R417 IonicContact OE2-CZ 3.52Å; E4-R417 IonicContact OE2-NH1 3.57Å; E4-R417 PolarHBondContact OE2-NH1 2.94Å; E4-F425 HydrophobicContact CB-CZ 4.09Å
5R33.6Very low63.8Low46 Ų4666.9 Ų66.917%0.17437%0.374CS..  trans-72.5108.8159.9-88.9-119.9-173.1134.14.8111S7 T419 T420 E421R5-S7 PolarHBondContact O-N 3.09Å; R5-T419 VanDerWaalsContact NE-C 3.35Å; R5-T419 PolarHBondContact NE-OG1 3.21Å; R5-T419 PolarHBondContact NH2-OG1 3.26Å; R5-T420 HydrophobicContact CB-CG2 3.48Å; R5-T420 VanDerWaalsContact CB-CG2 3.48Å; R5-T420 VanDerWaalsContact CD-OG1 3.22Å; R5-T420 WeakPolarHBondContact CD-OG1 3.46Å; R5-T420 HydrophobicContact CG-CG2 3.71Å; R5-T420 VanDerWaalsContact NH1-CA 3.31Å; R5-T420 PolarHBondContact NH1-OG1 3.13Å; R5-E421 IonicContact CZ-OE1 2.69Å; R5-E421 IonicContact CZ-OE2 3.84Å; R5-E421 IonicContact NE-OE2 3.65Å; R5-E421 VanDerWaalsContact NH1-CB 3.3Å; R5-E421 IonicContact NH1-OE1 2.94Å; R5-E421 PolarHBondContact NH1-OE1 3.01Å; R5-E421 IonicContact NH1-OE2 3.66Å; R5-E421 PolarHBondContact NH1-OE2 3.13Å; R5-E421 IonicContact NH2-OE1 3.61Å; R5-E421 IonicContact NH2-OE2 3.4Å; R5-E421 PolarHBondContact NH2-OE2 2.67Å
6G44.5Very low65.5Low46 Ų4663.4 Ų63.447%0.47436%0.355SS..  trans-55.1111163.300000108.8E4 E10E4-G6 PolarHBondContact O-N 2.99Å; E4-G6 VanDerWaalsContact O-N 3.15Å; G6-E10 WeakPolarHBondContact CA-OE2 2.96Å
7S61.5Low66.8Low54 Ų5459.6 Ų59.638%0.37833%0.334SS..  trans-55.2143.2165.5-176.90000107.8R5 S9 E10 D85R5-S7 PolarHBondContact O-N 3.09Å; S7-S9 PolarHBondContact O-N 3.08Å; S7-S9 PolarHBondContact OG-N 2.78Å; S7-S9 PolarHBondContact OG-OG 3.45Å; S7-E10 WeakPolarHBondContact O-CB 3.4Å; S7-E10 PolarHBondContact O-N 3.37Å; S7-D85 PolarHBondContact OG-OD2 2.88Å
8L66.1Low68Low131 Ų13160.4 Ų60.469%0.68633%0.333SS*.THydrogen-bonded Turntrans-56.4-11.4170.7-78.1164.4000112.6A171L8-A171 HydrophobicContact CB-CB 3.74Å; L8-A171 WeakPolarHBondContact O-CB 3.36Å
9S81.2Confident69Low4 Ų462.2 Ų62.23%0.02833%0.334CS..THydrogen-bonded Turntrans-103.58.2174.3480000116.1S7 D85 V86 A168 Q172S7-S9 PolarHBondContact O-N 3.08Å; S7-S9 PolarHBondContact OG-N 2.78Å; S7-S9 PolarHBondContact OG-OG 3.45Å; S9-D85 VanDerWaalsContact CB-OD2 3.28Å; S9-D85 WeakPolarHBondContact CB-OD2 3.37Å; S9-D85 CarbonylContact O-C 3.53Å; S9-D85 VanDerWaalsContact O-CA 3.32Å; S9-D85 WeakPolarHBondContact O-CA 3.37Å; S9-D85 PolarHBondContact OG-OD2 2.8Å; S9-V86 PolarHBondContact O-N 3.45Å; S9-A168 WeakPolarHBondContact CB-O 3.31Å; S9-Q172 PolarHBondContact OG-NE2 2.85Å
10E88.7Confident69.9Low72 Ų7259.1 Ų59.134%0.33632%0.317SS..EExtended strand (participates in β ladder)trans-76.4139.5166.4-80-171.1172.300111.7G6 S7 A84G6-E10 WeakPolarHBondContact CA-OE2 2.96Å; S7-E10 WeakPolarHBondContact O-CB 3.4Å; S7-E10 PolarHBondContact O-N 3.37Å; E10-A84 WeakPolarHBondContact CA-O 3.45Å
11V91.6Very high70.7Confident2 Ų258.9 Ų58.91%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-126.4150.3175.1-63.90000110.1V13 K83 A84 V86 V114 V160 E164 A168V11-V13 HydrophobicContact CG2-CG2 3.83Å; V11-V13 PolarHBondContact O-N 3.18Å; V11-K83 WeakPolarHBondContact O-CA 3.38Å; V11-A84 PolarHBondContact N-O 2.84Å; V11-A84 PolarHBondContact O-N 3.09Å; V11-A84 VanDerWaalsContact O-N 3.14Å; V11-V86 HydrophobicContact CG1-CG1 3.82Å; V11-V86 HydrophobicContact CG2-CG1 4.13Å; V11-V114 HydrophobicContact CG2-CG1 4.24Å; V11-V114 HydrophobicContact CG2-CG2 4.21Å; V11-V160 HydrophobicContact CB-CG1 3.71Å; V11-V160 HydrophobicContact CG1-CG1 4.17Å; V11-V160 HydrophobicContact CG2-CG1 3.94Å; V11-V160 HydrophobicContact CG2-CG2 4.48Å; V11-E164 HydrophobicContact CB-CB 4.45Å; V11-E164 HydrophobicContact CG1-CB 4.14Å; V11-A168 HydrophobicContact CG1-CB 3.37Å
12Q92.8Very high73.1Confident86 Ų8652.5 Ų52.540%0.40228%0.282SS..EExtended strand (participates in β ladder)trans-76.5121167.6-73.4-74.110.500109.4K83 E164Q12-K83 VanDerWaalsContact CD-CG 3.46Å; Q12-K83 HydrophobicContact CG-CG 4.29Å; Q12-E164 WeakPolarHBondContact CB-OE2 3.08Å; Q12-E164 PolarHBondContact N-OE2 2.57Å
13V93Very high75.5Confident2 Ų250.3 Ų50.31%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-110.2120-179.6-175.10000108.9V11 N81 F82 A84 V114 I158 V160V11-V13 HydrophobicContact CG2-CG2 3.83Å; V11-V13 PolarHBondContact O-N 3.18Å; V13-N81 VanDerWaalsContact O-CA 3.31Å; V13-N81 WeakPolarHBondContact O-CA 3.45Å; V13-F82 HydrophobicContact CB-CD2 4.23Å; V13-F82 HydrophobicContact CB-CE1 4.31Å; V13-F82 HydrophobicContact CB-CE2 3.85Å; V13-F82 HydrophobicContact CB-CZ 3.91Å; V13-F82 HydrophobicContact CG1-CE1 4.13Å; V13-F82 HydrophobicContact CG1-CE2 4.11Å; V13-F82 HydrophobicContact CG1-CZ 3.71Å; V13-F82 HydrophobicContact CG2-CE2 4.18Å; V13-F82 PolarHBondContact N-O 3.43Å; V13-F82 PolarHBondContact O-N 3.12Å; V13-A84 HydrophobicContact CG2-CB 4.42Å; V13-V114 HydrophobicContact CG2-CG2 3.71Å; V13-I158 HydrophobicContact CG1-CD1 3.66Å; V13-I158 HydrophobicContact CG1-CG1 3.69Å; V13-V160 HydrophobicContact CB-CG2 4.47Å; V13-V160 HydrophobicContact CG1-CG2 4.4Å; V13-V160 HydrophobicContact CG2-CG2 4.08Å
14K93.7Very high77.5Confident74 Ų7454 Ų5432%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-96109.2163.1177.5176.8176.9179.90108.3I79 V80 N81 I158 S159K14-I79 HydrophobicContact CD-CG2 4.11Å; K14-I79 HydrophobicContact CG-CG2 3.72Å; K14-V80 CarbonylContact C-O 3.51Å; K14-V80 WeakPolarHBondContact CA-O 2.93Å; K14-N81 VanDerWaalsContact CB-OD1 3.29Å; K14-N81 WeakPolarHBondContact CB-OD1 3.36Å; K14-N81 VanDerWaalsContact CG-OD1 3.32Å; K14-N81 WeakPolarHBondContact CG-OD1 3.44Å; K14-I158 CarbonylContact O-C 3.59Å; K14-I158 VanDerWaalsContact O-CA 3.3Å; K14-I158 WeakPolarHBondContact O-CA 3.31Å; K14-S159 PolarHBondContact N-O 3.06Å; K14-S159 PolarHBondContact O-N 2.83Å
15L92.7Very high79.3Confident1 Ų153 Ų531%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-106.1128174.9-171.470.3000109.4V80 F82 F112 F130 L156 S157 I158L15-V80 PolarHBondContact N-O 3.47Å; L15-V80 PolarHBondContact O-N 2.99Å; L15-F82 HydrophobicContact CB-CE1 3.82Å; L15-F82 HydrophobicContact CB-CZ 4.41Å; L15-F82 HydrophobicContact CD2-CE1 4.34Å; L15-F112 HydrophobicContact CD1-CZ 3.84Å; L15-F112 HydrophobicContact CD2-CZ 4.06Å; L15-F130 HydrophobicContact CD1-CE1 4.48Å; L15-F130 HydrophobicContact CD1-CZ 4.38Å; L15-L156 HydrophobicContact CD1-CB 4.15Å; L15-L156 HydrophobicContact CD1-CD1 4.35Å; L15-S157 CarbonylContact C-O 3.55Å; L15-S157 WeakPolarHBondContact CA-O 3.4Å; L15-I158 HydrophobicContact CD1-CB 4.31Å
16V91.1Very high80.9Confident11 Ų1152 Ų527%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-108.6119.9172.6-167.80000108.4K18 Q78 I79 L156 S157V16-K18 HydrophobicContact CG1-CG 4.35Å; V16-Q78 CarbonylContact C-O 3.48Å; V16-Q78 VanDerWaalsContact CA-O 3.27Å; V16-Q78 WeakPolarHBondContact CA-O 3.32Å; V16-I79 HydrophobicContact CG1-CG1 4.36Å; V16-I79 HydrophobicContact CG2-CG1 4.07Å; V16-L156 CarbonylContact O-C 3.51Å; V16-L156 VanDerWaalsContact O-CA 3.27Å; V16-L156 WeakPolarHBondContact O-CA 3.23Å; V16-S157 VanDerWaalsContact CB-OG 3.31Å; V16-S157 WeakPolarHBondContact CB-OG 3.49Å; V16-S157 WeakPolarHBondContact CG2-OG 3.31Å; V16-S157 PolarHBondContact N-O 2.88Å; V16-S157 PolarHBondContact O-N 3.29Å
17V87.4Confident82Confident0 Ų053.4 Ų53.40%027%0.27CS..EExtended strand (participates in β ladder)trans-88.9109.7175.3-174.70000107.7F43 F76 D77 Q78 I154 L156V17-F43 HydrophobicContact CG1-CD1 4.4Å; V17-F43 HydrophobicContact CG1-CD2 4.05Å; V17-F43 HydrophobicContact CG1-CE2 4.13Å; V17-F43 HydrophobicContact CG1-CG 4.15Å; V17-F43 HydrophobicContact CG1-CZ 4.36Å; V17-F43 HydrophobicContact CG2-CD1 3.87Å; V17-F43 HydrophobicContact CG2-CE1 3.45Å; V17-F43 VanDerWaalsContact CG2-CE1 3.45Å; V17-F43 HydrophobicContact CG2-CE2 4.23Å; V17-F43 HydrophobicContact CG2-CG 4.43Å; V17-F43 HydrophobicContact CG2-CZ 3.63Å; V17-F76 HydrophobicContact CB-CB 4.46Å; V17-F76 HydrophobicContact CG1-CB 4.25Å; V17-F76 HydrophobicContact CG1-CD2 3.92Å; V17-F76 HydrophobicContact CG1-CG 4.26Å; V17-D77 VanDerWaalsContact O-CA 3.31Å; V17-D77 WeakPolarHBondContact O-CA 3.5Å; V17-D77 PolarHBondContact O-N 2.78Å; V17-Q78 PolarHBondContact N-O 3.17Å; V17-Q78 PolarHBondContact O-N 2.74Å; V17-I154 HydrophobicContact CG1-CD1 3.61Å; V17-I154 HydrophobicContact CG1-CG1 4.34Å; V17-L156 HydrophobicContact CB-CD2 4.23Å; V17-L156 HydrophobicContact CG1-CD2 4.11Å; V17-L156 HydrophobicContact CG2-CD2 4.04Å
18K88.1Confident82.1Confident73 Ų7351.3 Ų51.332%0.31725%0.254SS..EExtended strand (participates in β ladder)trans-89.6-76.7-173.8-64.3-174.7174.7-178.80111.6V16 Y75 F76 D155 S157V16-K18 HydrophobicContact CG1-CG 4.35Å; K18-Y75 CarbonylContact O-C 3.54Å; K18-Y75 WeakPolarHBondContact O-CA 3.4Å; K18-Y75 WeakPolarHBondContact O-CD2 3.28Å; K18-F76 PolarHBondContact O-N 2.82Å; K18-D155 HydrophobicContact CB-CB 4.2Å; K18-D155 WeakPolarHBondContact CB-O 3.48Å; K18-D155 PolarHBondContact N-O 3.41Å; K18-S157 WeakPolarHBondContact CE-OG 3.42Å
19R87.7Confident82.1Confident94 Ų9449.2 Ų49.236%0.35524%0.244SC..EExtended strand (participates in β ladder)trans-143.6140.6-171.7-173.1172.3-78.3175.11.9111.4R73 P74 Y75 I154 D155R19-R73 HydrophobicContact CG-CB 4.48Å; R19-P74 WeakPolarHBondContact CA-O 3.09Å; R19-Y75 HydrophobicContact CB-CD2 4.14Å; R19-I154 WeakPolarHBondContact O-CA 3.47Å; R19-D155 PolarHBondContact N-O 3.5Å; R19-D155 PolarHBondContact O-N 3.45Å
20A87Confident81.2Confident0 Ų051.9 Ų51.90%026%0.262CS..EExtended strand (participates in β ladder)trans-97.3137.9165.600000111F22 R73 P74 F76 I134 S153 I154A20-F22 HydrophobicContact CB-CE1 4.35Å; A20-F22 HydrophobicContact CB-CE2 3.99Å; A20-F22 HydrophobicContact CB-CZ 3.64Å; A20-R73 WeakPolarHBondContact O-CA 3Å; A20-P74 HydrophobicContact CB-CG 3.96Å; A20-P74 PolarHBondContact N-O 2.93Å; A20-P74 VanDerWaalsContact N-O 3.11Å; A20-F76 HydrophobicContact CB-CE2 4.47Å; A20-I134 HydrophobicContact CB-CD1 4.18Å; A20-S153 CarbonylContact C-O 3.41Å; A20-S153 WeakPolarHBondContact CA-O 3.36Å; A20-I154 HydrophobicContact CB-CG1 4.25Å
21H86.5Confident79.8Confident56 Ų5649 Ų4926%0.25925%0.249SC..EExtended strand (participates in β ladder)trans-115.2116.9172.3-56.7-88.4000107.9G152 S153 D155H21-G152 CarbonylContact O-C 3.57Å; H21-G152 WeakPolarHBondContact O-CA 3.08Å; H21-S153 PolarHBondContact N-O 3.21Å; H21-S153 PolarHBondContact O-N 3.42Å; H21-D155 IonicContact CD2-OD1 3.93Å; H21-D155 IonicContact CD2-OD2 3.42Å; H21-D155 PolarHBondContact CD2-OD2 3.41Å; H21-D155 IonicContact CE1-OD2 3.11Å; H21-D155 IonicContact NE2-OD1 2.88Å; H21-D155 IonicContact NE2-OD2 3.74Å; H21-D155 PolarHBondContact NE2-OD2 2.85Å
22F82.5Confident78.3Confident21 Ų2149.2 Ų49.29%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-95144175.8-60.9-65.6000110.9A20 Q24 W28 L36 F41 P74 L94 I134 L151A20-F22 HydrophobicContact CB-CE1 4.35Å; A20-F22 HydrophobicContact CB-CE2 3.99Å; A20-F22 HydrophobicContact CB-CZ 3.64Å; F22-Q24 PolarHBondContact O-N 3.12Å; F22-W28 HydrophobicContact CB-CZ2 3.59Å; F22-W28 AromaticContact CD1-CH2 3.45Å; F22-W28 HydrophobicContact CD1-CH2 3.45Å; F22-W28 VanDerWaalsContact CD1-CH2 3.45Å; F22-W28 AromaticContact CD1-CZ2 3.28Å; F22-W28 HydrophobicContact CD1-CZ2 3.28Å; F22-W28 AromaticContact CE1-CH2 3.88Å; F22-W28 HydrophobicContact CE1-CH2 3.88Å; F22-W28 HydrophobicContact CE1-CZ2 4.17Å; F22-W28 AromaticContact CG-CH2 4Å; F22-W28 HydrophobicContact CG-CH2 4Å; F22-W28 AromaticContact CG-CZ2 3.52Å; F22-W28 HydrophobicContact CG-CZ2 3.52Å; F22-L36 HydrophobicContact CD2-CD2 4.13Å; F22-F41 HydrophobicContact CD2-CE1 4.33Å; F22-F41 HydrophobicContact CD2-CZ 4.33Å; F22-F41 HydrophobicContact CE2-CD1 4.05Å; F22-F41 AromaticContact CE2-CE1 3.52Å; F22-F41 HydrophobicContact CE2-CE1 3.52Å; F22-F41 AromaticContact CE2-CZ 3.82Å; F22-F41 HydrophobicContact CE2-CZ 3.82Å; F22-F41 HydrophobicContact CZ-CD1 4.04Å; F22-F41 AromaticContact CZ-CE1 3.73Å; F22-F41 HydrophobicContact CZ-CE1 3.73Å; F22-F41 HydrophobicContact CZ-CZ 4.46Å; F22-P74 HydrophobicContact CE2-CG 3.97Å; F22-P74 HydrophobicContact CZ-CG 4.5Å; F22-L94 HydrophobicContact CE1-CD2 3.19Å; F22-L94 HydrophobicContact CE2-CD2 4.36Å; F22-L94 HydrophobicContact CZ-CD1 4.38Å; F22-L94 HydrophobicContact CZ-CD2 3.11Å; F22-L94 HydrophobicContact CZ-CG 4.33Å; F22-I134 HydrophobicContact CD1-CD1 4.28Å; F22-I134 HydrophobicContact CE1-CD1 3.62Å; F22-I134 HydrophobicContact CZ-CD1 4.31Å; F22-L151 VanDerWaalsContact CA-O 3.31Å; F22-L151 WeakPolarHBondContact CA-O 3.43Å
23D77.1Confident76.7Confident72 Ų7255 Ų5539%0.38527%0.269SS..  trans-67.4128.9171.7-174.74.1000109.6S25 L26 W28 L151D23-S25 VanDerWaalsContact C-N 3.32Å; D23-S25 PolarHBondContact OD1-N 3.48Å; D23-S25 VanDerWaalsContact OD1-N 3.11Å; D23-S25 PolarHBondContact OD1-OG 2.88Å; D23-S25 VanDerWaalsContact OD1-OG 3.12Å; D23-S25 PolarHBondContact OD2-OG 2.78Å; D23-S25 VanDerWaalsContact OD2-OG 3.04Å; D23-L26 HydrophobicContact CB-CD1 3.81Å; D23-W28 PolarHBondContact O-NE1 3.04Å; D23-L151 PolarHBondContact N-O 3.12Å
24Q70.2Confident75.1Confident166 Ų16655.1 Ų55.178%0.77627%0.27SS*.THydrogen-bonded Turntrans-76.9-19.6-176.8-65.8-174.5-0.900112.3F22 L26F22-Q24 PolarHBondContact O-N 3.12Å; Q24-L26 VanDerWaalsContact C-N 3.27Å; Q24-L26 PolarHBondContact O-N 3.11Å
25S68.6Low73.7Confident101 Ų10156 Ų5671%0.70628%0.275SS*.THydrogen-bonded Turntrans-78.3-9176.5550000114.2D23D23-S25 VanDerWaalsContact C-N 3.32Å; D23-S25 PolarHBondContact OD1-N 3.48Å; D23-S25 VanDerWaalsContact OD1-N 3.11Å; D23-S25 PolarHBondContact OD1-OG 2.88Å; D23-S25 VanDerWaalsContact OD1-OG 3.12Å; D23-S25 PolarHBondContact OD2-OG 2.78Å; D23-S25 VanDerWaalsContact OD2-OG 3.04Å
26L66.9Low72.3Confident25 Ų2557.6 Ų57.613%0.13128%0.283CS..SBendtrans-72130.8174-81.6148.2000110.8D23 Q24 W28 L31 I145 L151D23-L26 HydrophobicContact CB-CD1 3.81Å; Q24-L26 VanDerWaalsContact C-N 3.27Å; Q24-L26 PolarHBondContact O-N 3.11Å; L26-W28 HydrophobicContact CD1-CZ2 4.41Å; L26-W28 PolarHBondContact O-N 3.39Å; L26-L31 HydrophobicContact CD2-CD1 4.09Å; L26-I145 HydrophobicContact CD2-CD1 4.17Å; L26-I145 HydrophobicContact CD2-CG1 4.13Å; L26-L151 HydrophobicContact CD1-CB 4.29Å; L26-L151 HydrophobicContact CD1-CD2 3.72Å; L26-L151 HydrophobicContact CD2-CD2 3.79Å; L26-L151 HydrophobicContact CG-CD2 4.4Å
27D67.3Low71Confident76 Ų7662.9 Ų62.941%0.40631%0.311SS..  trans-74.983.4167.4-176.112.9000110.2N29 S30 L31D27-N29 PolarHBondContact O-N 3.24Å; D27-N29 WeakPolarHBondContact OD1-CB 3.22Å; D27-N29 PolarHBondContact OD1-N 3.44Å; D27-S30 WeakPolarHBondContact O-CB 3.4Å; D27-S30 PolarHBondContact O-N 3.48Å; D27-S30 PolarHBondContact OD1-N 3.23Å; D27-S30 VanDerWaalsContact OD2-CB 3.32Å; D27-S30 WeakPolarHBondContact OD2-CB 3.48Å; D27-S30 PolarHBondContact OD2-OG 3.32Å; D27-L31 PolarHBondContact O-N 3.07Å
28W65Low70Confident11 Ų1168.9 Ų68.94%0.04234%0.337CS..Hα-helixtrans-60.6-25.4177.3-77.289.4000113.3F22 D23 L26 S30 L31 A32 L36 V107 L151F22-W28 HydrophobicContact CB-CZ2 3.59Å; F22-W28 AromaticContact CD1-CH2 3.45Å; F22-W28 HydrophobicContact CD1-CH2 3.45Å; F22-W28 VanDerWaalsContact CD1-CH2 3.45Å; F22-W28 AromaticContact CD1-CZ2 3.28Å; F22-W28 HydrophobicContact CD1-CZ2 3.28Å; F22-W28 AromaticContact CE1-CH2 3.88Å; F22-W28 HydrophobicContact CE1-CH2 3.88Å; F22-W28 HydrophobicContact CE1-CZ2 4.17Å; F22-W28 AromaticContact CG-CH2 4Å; F22-W28 HydrophobicContact CG-CH2 4Å; F22-W28 AromaticContact CG-CZ2 3.52Å; F22-W28 HydrophobicContact CG-CZ2 3.52Å; D23-W28 PolarHBondContact O-NE1 3.04Å; L26-W28 HydrophobicContact CD1-CZ2 4.41Å; L26-W28 PolarHBondContact O-N 3.39Å; W28-S30 VanDerWaalsContact C-N 3.27Å; W28-S30 PolarHBondContact O-N 2.84Å; W28-L31 HydrophobicContact CD2-CD1 4.33Å; W28-L31 HydrophobicContact CE3-CB 4.45Å; W28-L31 HydrophobicContact CE3-CD1 4.17Å; W28-L31 HydrophobicContact CZ3-CD1 4.38Å; W28-L31 PolarHBondContact O-N 3.16Å; W28-A32 PolarHBondContact O-N 3.15Å; W28-L36 HydrophobicContact CB-CD1 3.78Å; W28-L36 HydrophobicContact CB-CG 3.9Å; W28-L36 HydrophobicContact CD2-CD1 3.79Å; W28-L36 HydrophobicContact CD2-CD2 4.41Å; W28-L36 HydrophobicContact CD2-CG 3.89Å; W28-L36 HydrophobicContact CE3-CG 4.46Å; W28-L36 HydrophobicContact CG-CD1 3.23Å; W28-L36 HydrophobicContact CG-CG 3.61Å; W28-V107 HydrophobicContact CH2-CG2 4.24Å; W28-V107 HydrophobicContact CZ3-CB 4.12Å; W28-V107 HydrophobicContact CZ3-CG1 4.29Å; W28-V107 HydrophobicContact CZ3-CG2 3.97Å; W28-L151 HydrophobicContact CH2-CB 4.41Å; W28-L151 HydrophobicContact CH2-CD1 4.42Å; W28-L151 HydrophobicContact CZ2-CB 4.38Å
29N64.3Low69.2Low87 Ų8765.5 Ų65.547%0.46532%0.323SS..Hα-helixtrans-66.6-33.9173.5-62.6-49.5000110.7D27 R33 I34D27-N29 PolarHBondContact O-N 3.24Å; D27-N29 WeakPolarHBondContact OD1-CB 3.22Å; D27-N29 PolarHBondContact OD1-N 3.44Å; N29-R33 WeakPolarHBondContact O-CA 3.05Å; N29-R33 PolarHBondContact O-N 2.96Å; N29-I34 PolarHBondContact OD1-O 3.43Å
30S63Low68.6Low60 Ų6064 Ų6442%0.4232%0.319SS..Hα-helixtrans-73.4-32.2173.8-73.30000113.4D27 W28D27-S30 WeakPolarHBondContact O-CB 3.4Å; D27-S30 PolarHBondContact O-N 3.48Å; D27-S30 PolarHBondContact OD1-N 3.23Å; D27-S30 VanDerWaalsContact OD2-CB 3.32Å; D27-S30 WeakPolarHBondContact OD2-CB 3.48Å; D27-S30 PolarHBondContact OD2-OG 3.32Å; W28-S30 VanDerWaalsContact C-N 3.27Å; W28-S30 PolarHBondContact O-N 2.84Å
31L60Low68.4Low12 Ų1264 Ų646%0.06332%0.319CS..Hα-helixtrans-68.7-48.3-178.5-106.5151.2000114.1L26 D27 W28 L140 I145 L151L26-L31 HydrophobicContact CD2-CD1 4.09Å; D27-L31 PolarHBondContact O-N 3.07Å; W28-L31 HydrophobicContact CD2-CD1 4.33Å; W28-L31 HydrophobicContact CE3-CB 4.45Å; W28-L31 HydrophobicContact CE3-CD1 4.17Å; W28-L31 HydrophobicContact CZ3-CD1 4.38Å; W28-L31 PolarHBondContact O-N 3.16Å; L31-L140 HydrophobicContact CD2-CB 4.12Å; L31-L140 HydrophobicContact CD2-CD1 3.95Å; L31-L140 HydrophobicContact CD2-CD2 4.39Å; L31-L140 HydrophobicContact CD2-CG 4.39Å; L31-I145 HydrophobicContact CD1-CD1 3.31Å; L31-I145 HydrophobicContact CD2-CD1 3.52Å; L31-I145 HydrophobicContact CG-CD1 3.15Å; L31-L151 HydrophobicContact CD1-CD2 3.69Å
32A58.8Low68.2Low6 Ų661.6 Ų61.65%0.0531%0.308CS..Hα-helixtrans-124.7-7.9-170.200000113W28 I34 V107W28-A32 PolarHBondContact O-N 3.15Å; A32-I34 HydrophobicContact CB-CB 4.15Å; A32-I34 HydrophobicContact CB-CD1 3.59Å; A32-I34 HydrophobicContact CB-CG1 3.57Å; A32-I34 VanDerWaalsContact O-CG1 3.26Å; A32-I34 WeakPolarHBondContact O-CG1 3.29Å; A32-V107 HydrophobicContact CB-CG1 4.34Å
33R60.5Low68.3Low208 Ų20860.6 Ų60.679%0.78530%0.304SS*.SBendtrans58.732-161.9-54.3-176.5-177.9-174.71112.4N29N29-R33 WeakPolarHBondContact O-CA 3.05Å; N29-R33 PolarHBondContact O-N 2.96Å
34I58.9Low68.7Low4 Ų457.9 Ų57.92%0.02129%0.289CS..SBendtrans-127.7135-175-39.6172.6000110.3N29 A32 L36 C39 V96 D98N29-I34 PolarHBondContact OD1-O 3.43Å; A32-I34 HydrophobicContact CB-CB 4.15Å; A32-I34 HydrophobicContact CB-CD1 3.59Å; A32-I34 HydrophobicContact CB-CG1 3.57Å; A32-I34 VanDerWaalsContact O-CG1 3.26Å; A32-I34 WeakPolarHBondContact O-CG1 3.29Å; I34-L36 PolarHBondContact O-N 3.35Å; I34-C39 WeakPolarHBondContact CG2-SG 3.4Å; I34-V96 HydrophobicContact CD1-CB 4.34Å; I34-V96 HydrophobicContact CD1-CG1 3.75Å; I34-D98 HydrophobicContact CD1-CB 4.23Å; I34-D98 HydrophobicContact CG1-CB 4.2Å; I34-D98 HydrophobicContact CG2-CB 3.76Å
35Q63.4Low69.5Low93 Ų9350 Ų5044%0.43525%0.253SS..  trans-73.7112.2169.1-70.8-172.4-31.100109.7N37 K38 C39Q35-N37 PolarHBondContact O-N 3.06Å; Q35-K38 WeakPolarHBondContact O-CA 3.26Å; Q35-K38 PolarHBondContact O-N 3.24Å; Q35-C39 PolarHBondContact O-N 2.86Å; Q35-C39 PolarHBondContact O-SG 3.27Å
36L63.4Low70.3Confident34 Ų3447.1 Ų47.118%0.17823%0.229CC..G310 helixtrans-40.4-42.8-179.4-114.9168.3000115.1F22 W28 I34 K38 C39 F41F22-L36 HydrophobicContact CD2-CD2 4.13Å; W28-L36 HydrophobicContact CB-CD1 3.78Å; W28-L36 HydrophobicContact CB-CG 3.9Å; W28-L36 HydrophobicContact CD2-CD1 3.79Å; W28-L36 HydrophobicContact CD2-CD2 4.41Å; W28-L36 HydrophobicContact CD2-CG 3.89Å; W28-L36 HydrophobicContact CE3-CG 4.46Å; W28-L36 HydrophobicContact CG-CD1 3.23Å; W28-L36 HydrophobicContact CG-CG 3.61Å; I34-L36 PolarHBondContact O-N 3.35Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.44Å; L36-C39 WeakPolarHBondContact CA-SG 3.31Å; L36-C39 VanDerWaalsContact O-CB 3.25Å; L36-C39 WeakPolarHBondContact O-CB 3.14Å; L36-C39 PolarHBondContact O-N 3.41Å; L36-F41 HydrophobicContact CD2-CE2 4.33Å; L36-F41 HydrophobicContact CD2-CZ 3.63Å
37N65.4Low71.4Confident122 Ų12247.9 Ų47.965%0.65223%0.234SC*.G310 helixtrans-73-14.2-178.933.8-13.4000113.9Q35Q35-N37 PolarHBondContact O-N 3.06Å
38K65.9Low72.4Confident126 Ų12644.8 Ų44.855%0.54822%0.217SC..G310 helixtrans-105.9-0.5170.7-65.5178.9-178.8158.30112.7Q35 L36Q35-K38 WeakPolarHBondContact O-CA 3.26Å; Q35-K38 PolarHBondContact O-N 3.24Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.44Å
39C70.3Confident73.3Confident2 Ų248.3 Ų48.31%0.01424%0.241CC..  trans-73.6147.3-178.9-67.50000112.7I34 Q35 L36 F41 V96I34-C39 WeakPolarHBondContact CG2-SG 3.4Å; Q35-C39 PolarHBondContact O-N 2.86Å; Q35-C39 PolarHBondContact O-SG 3.27Å; L36-C39 WeakPolarHBondContact CA-SG 3.31Å; L36-C39 VanDerWaalsContact O-CB 3.25Å; L36-C39 WeakPolarHBondContact O-CB 3.14Å; L36-C39 PolarHBondContact O-N 3.41Å; C39-F41 HydrophobicContact CB-CD2 4.23Å; C39-F41 HydrophobicContact CB-CE2 3.53Å; C39-F41 HydrophobicContact CB-CZ 3.76Å; C39-V96 HydrophobicContact CB-CG1 3.59Å; C39-V96 WeakPolarHBondContact SG-CG1 3.47Å
40K76.5Confident74.1Confident61 Ų6147.5 Ų47.527%0.26524%0.241SC..EExtended strand (participates in β ladder)trans-109.2123.5168.6-85.6175.3-179.5-176.60107.4I68 R70 V96 R97K40-I68 HydrophobicContact CB-CG2 3.34Å; K40-I68 HydrophobicContact CD-CG2 3.84Å; K40-I68 HydrophobicContact CG-CG2 3.53Å; K40-R70 HydrophobicContact CG-CG 4Å; K40-V96 WeakPolarHBondContact O-CA 3.37Å; K40-R97 HydrophobicContact CB-CB 4.21Å; K40-R97 PolarHBondContact N-O 2.99Å; K40-R97 PolarHBondContact O-N 2.72Å
41F81.7Confident74.9Confident0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-106.3139.5-178-66.1-90.5000110.7F22 L36 C39 I68 V69 G71 P74 F76 L94 S95 V96F22-F41 HydrophobicContact CD2-CE1 4.33Å; F22-F41 HydrophobicContact CD2-CZ 4.33Å; F22-F41 HydrophobicContact CE2-CD1 4.05Å; F22-F41 AromaticContact CE2-CE1 3.52Å; F22-F41 HydrophobicContact CE2-CE1 3.52Å; F22-F41 AromaticContact CE2-CZ 3.82Å; F22-F41 HydrophobicContact CE2-CZ 3.82Å; F22-F41 HydrophobicContact CZ-CD1 4.04Å; F22-F41 AromaticContact CZ-CE1 3.73Å; F22-F41 HydrophobicContact CZ-CE1 3.73Å; F22-F41 HydrophobicContact CZ-CZ 4.46Å; L36-F41 HydrophobicContact CD2-CE2 4.33Å; L36-F41 HydrophobicContact CD2-CZ 3.63Å; C39-F41 HydrophobicContact CB-CD2 4.23Å; C39-F41 HydrophobicContact CB-CE2 3.53Å; C39-F41 HydrophobicContact CB-CZ 3.76Å; F41-I68 CarbonylContact O-C 3.59Å; F41-I68 WeakPolarHBondContact O-CA 3.07Å; F41-V69 PolarHBondContact N-O 3.16Å; F41-V69 PolarHBondContact O-N 3.25Å; F41-G71 VanDerWaalsContact CE2-O 3.29Å; F41-G71 WeakPolarHBondContact CE2-O 3.25Å; F41-P74 HydrophobicContact CB-CB 3.96Å; F41-P74 HydrophobicContact CB-CG 3.99Å; F41-P74 HydrophobicContact CD1-CG 4.34Å; F41-P74 HydrophobicContact CD2-CB 4.04Å; F41-P74 HydrophobicContact CD2-CG 3.89Å; F41-P74 HydrophobicContact CG-CB 4.14Å; F41-P74 HydrophobicContact CG-CG 3.82Å; F41-F76 HydrophobicContact CB-CE1 4.38Å; F41-F76 HydrophobicContact CB-CZ 4.01Å; F41-L94 HydrophobicContact CB-CD1 4.32Å; F41-L94 HydrophobicContact CD1-CD1 4.01Å; F41-L94 HydrophobicContact CD1-CD2 4.07Å; F41-L94 HydrophobicContact CD1-CG 4.17Å; F41-L94 HydrophobicContact CE1-CD2 4.32Å; F41-S95 WeakPolarHBondContact CA-O 3.48Å; F41-V96 HydrophobicContact CD1-CG2 3.65Å; F41-V96 HydrophobicContact CE1-CB 4.43Å; F41-V96 HydrophobicContact CE1-CG1 4.28Å; F41-V96 HydrophobicContact CE1-CG2 3.4Å; F41-V96 HydrophobicContact CZ-CG1 4.47Å; F41-V96 HydrophobicContact CZ-CG2 4.31Å
42N82.7Confident75.9Confident6 Ų649 Ų493%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-132.9148.3164.362.1-53.2000109.5I68 S95 R97N42-I68 HydrophobicContact CB-CG1 4.42Å; N42-S95 PolarHBondContact N-O 2.69Å; N42-S95 PolarHBondContact O-N 3.08Å; N42-S95 VanDerWaalsContact OD1-CB 3.28Å; N42-S95 WeakPolarHBondContact OD1-CB 3.25Å; N42-S95 PolarHBondContact OD1-O 3.4Å; N42-R97 PolarHBondContact ND2-NH2 2.84Å; N42-R97 PolarHBondContact OD1-NE 2.84Å
43F85.2Confident76.6Confident1 Ų153.6 Ų53.60%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-111.5131.4178170.4-79.6000108.2V17 A45 Y64 I65 T66 F76 F92 R93 I154V17-F43 HydrophobicContact CG1-CD1 4.4Å; V17-F43 HydrophobicContact CG1-CD2 4.05Å; V17-F43 HydrophobicContact CG1-CE2 4.13Å; V17-F43 HydrophobicContact CG1-CG 4.15Å; V17-F43 HydrophobicContact CG1-CZ 4.36Å; V17-F43 HydrophobicContact CG2-CD1 3.87Å; V17-F43 HydrophobicContact CG2-CE1 3.45Å; V17-F43 VanDerWaalsContact CG2-CE1 3.45Å; V17-F43 HydrophobicContact CG2-CE2 4.23Å; V17-F43 HydrophobicContact CG2-CG 4.43Å; V17-F43 HydrophobicContact CG2-CZ 3.63Å; F43-A45 HydrophobicContact CE1-CB 3.82Å; F43-A45 HydrophobicContact CZ-CB 4.44Å; F43-Y64 HydrophobicContact CD1-CD1 4.38Å; F43-Y64 HydrophobicContact CD1-CE1 4.5Å; F43-I65 CarbonylContact O-C 3.53Å; F43-I65 VanDerWaalsContact O-CA 3.31Å; F43-I65 WeakPolarHBondContact O-CA 3.25Å; F43-T66 HydrophobicContact CB-CG2 3.72Å; F43-T66 HydrophobicContact CD1-CG2 4.1Å; F43-T66 HydrophobicContact CG-CG2 4.3Å; F43-T66 PolarHBondContact N-OG1 2.88Å; F43-T66 PolarHBondContact O-N 2.83Å; F43-F76 HydrophobicContact CB-CE1 4.4Å; F43-F76 HydrophobicContact CB-CZ 4.42Å; F43-F92 HydrophobicContact CD2-CB 4.02Å; F43-F92 HydrophobicContact CD2-CD2 4.06Å; F43-F92 HydrophobicContact CD2-CG 4.31Å; F43-F92 HydrophobicContact CE1-CB 3.95Å; F43-F92 HydrophobicContact CE2-CB 3.13Å; F43-F92 HydrophobicContact CE2-CD1 4.21Å; F43-F92 AromaticContact CE2-CD2 3.45Å; F43-F92 HydrophobicContact CE2-CD2 3.45Å; F43-F92 VanDerWaalsContact CE2-CD2 3.45Å; F43-F92 HydrophobicContact CE2-CE2 4.39Å; F43-F92 AromaticContact CE2-CG 3.34Å; F43-F92 HydrophobicContact CE2-CG 3.34Å; F43-F92 HydrophobicContact CZ-CB 3.1Å; F43-F92 HydrophobicContact CZ-CD1 4.4Å; F43-F92 HydrophobicContact CZ-CD2 4.29Å; F43-F92 AromaticContact CZ-CG 3.73Å; F43-F92 HydrophobicContact CZ-CG 3.73Å; F43-R93 CarbonylContact C-O 3.57Å; F43-R93 WeakPolarHBondContact CA-O 3.48Å; F43-I154 HydrophobicContact CD2-CD1 3.47Å; F43-I154 VanDerWaalsContact CD2-CD1 3.47Å; F43-I154 HydrophobicContact CE2-CD1 3.47Å; F43-I154 VanDerWaalsContact CE2-CD1 3.47Å
44T84.6Confident76.9Confident14 Ų1448.7 Ų48.79%0.08629%0.289CS..EExtended strand (participates in β ladder)trans-114.2148171.660.40000109.4P62 Y64 I65 F92 R93T44-P62 HydrophobicContact CG2-CB 4.38Å; T44-P62 HydrophobicContact CG2-CG 4.25Å; T44-Y64 WeakPolarHBondContact CA-O 3.4Å; T44-I65 HydrophobicContact CG2-CB 4.33Å; T44-I65 HydrophobicContact CG2-CD1 4.39Å; T44-I65 HydrophobicContact CG2-CG1 3.88Å; T44-I65 HydrophobicContact CG2-CG2 4.06Å; T44-F92 CarbonylContact O-C 3.53Å; T44-F92 WeakPolarHBondContact O-CA 3.48Å; T44-R93 PolarHBondContact N-O 2.7Å; T44-R93 PolarHBondContact O-N 3.04Å; T44-R93 WeakPolarHBondContact OG1-CB 3.46Å
45A86.4Confident77.3Confident2 Ų250 Ų502%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-130.4145.8173.700000111.3F43 F63 Y64 E91F43-A45 HydrophobicContact CE1-CB 3.82Å; F43-A45 HydrophobicContact CZ-CB 4.44Å; A45-F63 HydrophobicContact CB-CE1 3.72Å; A45-F63 HydrophobicContact CB-CE2 4.39Å; A45-F63 HydrophobicContact CB-CZ 3.58Å; A45-F63 WeakPolarHBondContact O-CD1 3.39Å; A45-F63 VanDerWaalsContact O-CE1 3.29Å; A45-F63 WeakPolarHBondContact O-CE1 3.41Å; A45-F63 PolarHBondContact O-N 3.34Å; A45-F63 VanDerWaalsContact O-N 3.07Å; A45-Y64 PolarHBondContact N-O 3.46Å; A45-E91 CarbonylContact C-O 3.52Å; A45-E91 VanDerWaalsContact CA-O 3.3Å; A45-E91 WeakPolarHBondContact CA-O 3.38Å
46E86.8Confident77Confident40 Ų4047 Ų4719%0.18728%0.284CS..EExtended strand (participates in β ladder)trans-135.7140.8175.7-163.3178.7-172.200110.8L48 S60 F63 E91E46-L48 HydrophobicContact CG-CD2 3.98Å; E46-S60 VanDerWaalsContact CD-CB 3.41Å; E46-S60 WeakPolarHBondContact OE1-CB 3.19Å; E46-S60 WeakPolarHBondContact OE2-CB 3.34Å; E46-S60 PolarHBondContact OE2-OG 3.33Å; E46-F63 VanDerWaalsContact C-CE1 3.47Å; E46-F63 VanDerWaalsContact CA-CD1 3.46Å; E46-F63 VanDerWaalsContact CA-CE1 3.42Å; E46-E91 PolarHBondContact N-O 2.83Å; E46-E91 PolarHBondContact O-N 2.78Å
47V89.6Confident76.7Confident40 Ų4048.7 Ų48.724%0.24230%0.303CS..EExtended strand (participates in β ladder)trans-97109.6171.4-177.10000107.7F63 F82 A84V47-F63 HydrophobicContact CG2-CD1 4.03Å; V47-F63 HydrophobicContact CG2-CE1 3.58Å; V47-F63 HydrophobicContact CG2-CZ 4.14Å; V47-F82 HydrophobicContact CG2-CD2 3.51Å; V47-F82 HydrophobicContact CG2-CE2 3.76Å; V47-F82 HydrophobicContact CG2-CG 4.36Å; V47-A84 HydrophobicContact CG1-CB 3.79Å; V47-A84 HydrophobicContact CG2-CB 4.33Å
48L87.2Confident76.2Confident12 Ų1249.2 Ų49.26%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-95.6145.9178-55.2174.9000110.4E46 P56 S88 I89 E91E46-L48 HydrophobicContact CG-CD2 3.98Å; L48-P56 HydrophobicContact CD1-CG 4.39Å; L48-P56 HydrophobicContact CD2-CG 3.92Å; L48-S88 WeakPolarHBondContact O-CA 3.44Å; L48-S88 WeakPolarHBondContact O-CB 3.44Å; L48-I89 HydrophobicContact CB-CB 4.18Å; L48-I89 PolarHBondContact N-O 2.72Å; L48-I89 PolarHBondContact O-N 2.81Å; L48-E91 HydrophobicContact CD1-CB 3.97Å; L48-E91 HydrophobicContact CG-CB 4.43Å
49P83.7Confident75.7Confident84 Ų8450.5 Ų50.555%0.54532%0.317SS..PPolyproline II helixtrans-55.5150.5175.2-24.432.4000112.8G51 S52P49-G51 PolarHBondContact O-N 3.11Å; P49-S52 WeakPolarHBondContact O-CB 3.48Å; P49-S52 PolarHBondContact O-N 3.34Å; P49-S52 PolarHBondContact O-OG 3.04Å
50P82.1Confident75.2Confident70 Ų7051.6 Ų51.646%0.45533%0.325SS..THydrogen-bonded Turntrans-51.6131.6174.3-23.230.7000111.8D87P50-D87 WeakPolarHBondContact CA-O 3.46Å; P50-D87 HydrophobicContact CB-CB 4.05Å; P50-D87 WeakPolarHBondContact CB-O 3.33Å; P50-D87 HydrophobicContact CG-CB 4Å
51G78.9Confident74.5Confident71 Ų7156.1 Ų56.173%0.73235%0.35SS*.THydrogen-bonded Turntrans87.40.9179.300000116P49 S53P49-G51 PolarHBondContact O-N 3.11Å; G51-S53 PolarHBondContact O-N 3.18Å
52S81.4Confident73.9Confident34 Ų3457.9 Ų57.924%0.23836%0.362CS..  trans-60.3110175-60.20000111.5P49 I89 R111P49-S52 WeakPolarHBondContact O-CB 3.48Å; P49-S52 PolarHBondContact O-N 3.34Å; P49-S52 PolarHBondContact O-OG 3.04Å; S52-I89 VanDerWaalsContact O-CD1 3.25Å; S52-I89 WeakPolarHBondContact O-CD1 3.36Å; S52-R111 PolarHBondContact O-NH1 2.8Å
53S73Confident73.4Confident101 Ų10161.4 Ų61.471%0.70638%0.377SS*.  trans-94.1-36.7-175.858.40000112.9G51 R111G51-S53 PolarHBondContact O-N 3.18Å; S53-R111 PolarHBondContact O-NH1 3.13Å; S53-R111 VanDerWaalsContact O-NH1 3.16Å
54T66.8Low72.9Confident105 Ų10563.2 Ų63.264%0.64438%0.384SS*.SBendtrans-75.9145.6-179.649.50000111.2P56 R111T54-P56 VanDerWaalsContact O-CD 3.29Å; T54-P56 WeakPolarHBondContact O-CD 3.49Å; T54-R111 PolarHBondContact O-NH2 3.09Å
55I68.8Low72.5Confident33 Ų3366.9 Ų66.917%0.16940%0.402CS..  trans-78.9109.1165.3-64.3164.8000104.7A57 R93 Y109 R111 L137 P138 W139I55-A57 PolarHBondContact O-N 3.09Å; I55-R93 VanDerWaalsContact CG2-NH2 3.26Å; I55-Y109 HydrophobicContact CD1-CD1 4.26Å; I55-Y109 HydrophobicContact CD1-CD2 4.43Å; I55-Y109 HydrophobicContact CD1-CE1 3.71Å; I55-Y109 HydrophobicContact CD1-CE2 3.89Å; I55-Y109 HydrophobicContact CG1-CE2 4.08Å; I55-R111 VanDerWaalsContact CA-NH2 3.32Å; I55-L137 HydrophobicContact CD1-CD2 4.29Å; I55-L137 HydrophobicContact CG2-CD2 3.98Å; I55-P138 HydrophobicContact CD1-CG 3.55Å; I55-W139 HydrophobicContact CG2-CH2 4.24Å; I55-W139 HydrophobicContact CG2-CZ3 4.36Å
56P57.1Low71.9Confident30 Ų3067 Ų6720%0.19540%0.403CS..  trans-59141.2-174.720.9-29.1000109.6L48 T54 R93L48-P56 HydrophobicContact CD1-CG 4.39Å; L48-P56 HydrophobicContact CD2-CG 3.92Å; T54-P56 VanDerWaalsContact O-CD 3.29Å; T54-P56 WeakPolarHBondContact O-CD 3.49Å; P56-R93 PolarHBondContact O-NH1 3.01Å; P56-R93 PolarHBondContact O-NH2 3.4Å
57A57.1Low71.1Confident69 Ų6968.7 Ų68.757%0.5742%0.417SS*.  trans-55.6157.6171.200000109.8I55 N59 S60I55-A57 PolarHBondContact O-N 3.09Å; A57-N59 PolarHBondContact O-N 2.9Å; A57-S60 PolarHBondContact O-N 2.67Å; A57-S60 PolarHBondContact O-OG 2.94Å
58I54.4Low70.3Confident132 Ų13270.6 Ų70.668%0.67743%0.425SS*.THydrogen-bonded Turntrans-47.3-13.1-175.9-66.7166.1000114.6S60I58-S60 PolarHBondContact O-N 2.78Å
59N55Low69.8Low153 Ų15371.4 Ų71.482%0.81843%0.431SS*.THydrogen-bonded Turntrans-70.9-6-179.7-58.6-8000114.6A57A57-N59 PolarHBondContact O-N 2.9Å
60S60.2Low69.3Low26 Ų2676.5 Ų76.518%0.18244%0.439CS..SBendtrans-76.6125.717321.50000109.5E46 A57 I58 P62E46-S60 VanDerWaalsContact CD-CB 3.41Å; E46-S60 WeakPolarHBondContact OE1-CB 3.19Å; E46-S60 WeakPolarHBondContact OE2-CB 3.34Å; E46-S60 PolarHBondContact OE2-OG 3.33Å; A57-S60 PolarHBondContact O-N 2.67Å; A57-S60 PolarHBondContact O-OG 2.94Å; I58-S60 PolarHBondContact O-N 2.78Å; S60-P62 WeakPolarHBondContact O-CD 3.42Å
61I62.1Low68.7Low155 Ų15573.9 Ų73.980%0.79543%0.425SS*.  trans-80.8110.5177.4-59.2173.3000107.1F63I61-F63 PolarHBondContact O-N 3.19Å
62P68.4Low68Low38 Ų3874.3 Ų74.325%0.24742%0.415CS..  trans-63.2137.717826.9-33.8000109.5T44 S60 Y64 I65T44-P62 HydrophobicContact CG2-CB 4.38Å; T44-P62 HydrophobicContact CG2-CG 4.25Å; S60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-Y64 PolarHBondContact O-N 3.05Å; P62-I65 HydrophobicContact CB-CG1 4.49Å; P62-I65 HydrophobicContact CG-CD1 3.95Å; P62-I65 HydrophobicContact CG-CG1 3.95Å
63F72.3Confident67.7Low80 Ų8079.6 Ų79.635%0.35143%0.429SS..SBendtrans-73.8-16.4178.271.9-96.2000111.9A45 E46 V47 I61 V80 F82A45-F63 HydrophobicContact CB-CE1 3.72Å; A45-F63 HydrophobicContact CB-CE2 4.39Å; A45-F63 HydrophobicContact CB-CZ 3.58Å; A45-F63 WeakPolarHBondContact O-CD1 3.39Å; A45-F63 VanDerWaalsContact O-CE1 3.29Å; A45-F63 WeakPolarHBondContact O-CE1 3.41Å; A45-F63 PolarHBondContact O-N 3.34Å; A45-F63 VanDerWaalsContact O-N 3.07Å; E46-F63 VanDerWaalsContact C-CE1 3.47Å; E46-F63 VanDerWaalsContact CA-CD1 3.46Å; E46-F63 VanDerWaalsContact CA-CE1 3.42Å; V47-F63 HydrophobicContact CG2-CD1 4.03Å; V47-F63 HydrophobicContact CG2-CE1 3.58Å; V47-F63 HydrophobicContact CG2-CZ 4.14Å; I61-F63 PolarHBondContact O-N 3.19Å; F63-V80 HydrophobicContact CD2-CG1 4.17Å; F63-V80 HydrophobicContact CE2-CG1 3.47Å; F63-V80 VanDerWaalsContact CE2-CG1 3.47Å; F63-V80 HydrophobicContact CZ-CG1 4.4Å; F63-F82 HydrophobicContact CD2-CB 4.17Å; F63-F82 HydrophobicContact CD2-CD1 4.48Å; F63-F82 HydrophobicContact CD2-CG 4.46Å; F63-F82 HydrophobicContact CE2-CB 3.79Å; F63-F82 AromaticContact CE2-CD1 3.37Å; F63-F82 HydrophobicContact CE2-CD1 3.37Å; F63-F82 HydrophobicContact CE2-CD2 4.45Å; F63-F82 HydrophobicContact CE2-CE1 4.01Å; F63-F82 AromaticContact CE2-CG 3.62Å; F63-F82 HydrophobicContact CE2-CG 3.62Å; F63-F82 HydrophobicContact CZ-CB 4.32Å; F63-F82 AromaticContact CZ-CD1 3.55Å; F63-F82 HydrophobicContact CZ-CD1 3.55Å; F63-F82 HydrophobicContact CZ-CD2 4.17Å; F63-F82 AromaticContact CZ-CE1 3.77Å; F63-F82 HydrophobicContact CZ-CE1 3.77Å; F63-F82 HydrophobicContact CZ-CE2 4.38Å; F63-F82 AromaticContact CZ-CG 3.75Å; F63-F82 HydrophobicContact CZ-CG 3.75Å; F63-F82 HydrophobicContact CZ-CZ 4.18Å
64Y74.4Confident67.8Low39 Ų3974.8 Ų74.815%0.15340%0.396CS..EExtended strand (participates in β ladder)trans-146142.7-179-178.1-102000112.4F43 T44 A45 P62 T66 Q78 V80F43-Y64 HydrophobicContact CD1-CD1 4.38Å; F43-Y64 HydrophobicContact CD1-CE1 4.5Å; T44-Y64 WeakPolarHBondContact CA-O 3.4Å; A45-Y64 PolarHBondContact N-O 3.46Å; P62-Y64 PolarHBondContact O-N 3.05Å; Y64-T66 HydrophobicContact CE1-CG2 3.47Å; Y64-T66 VanDerWaalsContact CE1-CG2 3.47Å; Y64-Q78 WeakPolarHBondContact OH-CB 3.49Å; Y64-Q78 VanDerWaalsContact OH-CG 3.24Å; Y64-Q78 WeakPolarHBondContact OH-CG 3.41Å; Y64-V80 HydrophobicContact CD1-CB 4.31Å; Y64-V80 HydrophobicContact CD1-CG1 3.99Å; Y64-V80 HydrophobicContact CD1-CG2 3.32Å; Y64-V80 HydrophobicContact CD2-CB 4.27Å; Y64-V80 HydrophobicContact CD2-CG1 3.6Å; Y64-V80 HydrophobicContact CD2-CG2 3.79Å; Y64-V80 HydrophobicContact CE1-CG2 3.28Å; Y64-V80 HydrophobicContact CE2-CG1 4.34Å; Y64-V80 HydrophobicContact CE2-CG2 3.79Å; Y64-V80 HydrophobicContact CG-CB 4.15Å; Y64-V80 HydrophobicContact CG-CG1 3.41Å; Y64-V80 VanDerWaalsContact CG-CG1 3.41Å; Y64-V80 HydrophobicContact CG-CG2 3.58Å
65I76.1Confident68.6Low91 Ų9175 Ų7547%0.46739%0.386SS..EExtended strand (participates in β ladder)trans-138.3123174.7-49.9-175.5000108F43 T44 P62F43-I65 CarbonylContact O-C 3.53Å; F43-I65 VanDerWaalsContact O-CA 3.31Å; F43-I65 WeakPolarHBondContact O-CA 3.25Å; T44-I65 HydrophobicContact CG2-CB 4.33Å; T44-I65 HydrophobicContact CG2-CD1 4.39Å; T44-I65 HydrophobicContact CG2-CG1 3.88Å; T44-I65 HydrophobicContact CG2-CG2 4.06Å; P62-I65 HydrophobicContact CB-CG1 4.49Å; P62-I65 HydrophobicContact CG-CD1 3.95Å; P62-I65 HydrophobicContact CG-CG1 3.95Å
66T73.5Confident69.2Low5 Ų573.9 Ų73.93%0.03138%0.38CS..PPolyproline II helixtrans-69.2156.1174.163.60000111.4F43 Y64 F76 Q78F43-T66 HydrophobicContact CB-CG2 3.72Å; F43-T66 HydrophobicContact CD1-CG2 4.1Å; F43-T66 HydrophobicContact CG-CG2 4.3Å; F43-T66 PolarHBondContact N-OG1 2.88Å; F43-T66 PolarHBondContact O-N 2.83Å; Y64-T66 HydrophobicContact CE1-CG2 3.47Å; Y64-T66 VanDerWaalsContact CE1-CG2 3.47Å; T66-F76 HydrophobicContact CG2-CB 4.17Å; T66-F76 HydrophobicContact CG2-CD1 3.79Å; T66-F76 HydrophobicContact CG2-CE1 4.49Å; T66-F76 HydrophobicContact CG2-CG 4.16Å; T66-F76 VanDerWaalsContact OG1-CD1 3.27Å; T66-F76 WeakPolarHBondContact OG1-CD1 3.24Å; T66-F76 WeakPolarHBondContact OG1-CE1 3.46Å; T66-Q78 HydrophobicContact CG2-CB 4.32Å; T66-Q78 HydrophobicContact CG2-CG 4.16Å
67P71.9Confident70.4Confident74 Ų7476.3 Ų76.348%0.48139%0.391SS..PPolyproline II helixtrans-52.7155.5160.3-2132.6000111.3V69P67-V69 PolarHBondContact O-N 3.26Å
68I72.3Confident71.5Confident81 Ų8176.2 Ų76.242%0.41538%0.379SS..PPolyproline II helixtrans-74.9120.8178.3-65.4175000109.7K40 F41 N42K40-I68 HydrophobicContact CB-CG2 3.34Å; K40-I68 HydrophobicContact CD-CG2 3.84Å; K40-I68 HydrophobicContact CG-CG2 3.53Å; F41-I68 CarbonylContact O-C 3.59Å; F41-I68 WeakPolarHBondContact O-CA 3.07Å; N42-I68 HydrophobicContact CB-CG1 4.42Å
69V76Confident73Confident29 Ų2974 Ų7418%0.17637%0.368CS..EExtended strand (participates in β ladder)trans-109.2139.4179.8-174.10000110.6F41 P67 P74 Y75 F76F41-V69 PolarHBondContact N-O 3.16Å; F41-V69 PolarHBondContact O-N 3.25Å; P67-V69 PolarHBondContact O-N 3.26Å; V69-P74 HydrophobicContact CB-CB 3.94Å; V69-P74 HydrophobicContact CG1-CB 3.81Å; V69-Y75 WeakPolarHBondContact CG1-O 3.25Å; V69-F76 HydrophobicContact CB-CD1 4.2Å; V69-F76 HydrophobicContact CB-CE1 4.08Å; V69-F76 HydrophobicContact CG2-CD1 3.4Å; V69-F76 VanDerWaalsContact CG2-CD1 3.4Å; V69-F76 HydrophobicContact CG2-CE1 3.75Å; V69-F76 HydrophobicContact CG2-CG 4.13Å
70R74.4Confident74.4Confident190 Ų19067.1 Ų67.172%0.71733%0.331SS*.EExtended strand (participates in β ladder)trans-97.6153.6176.8-70.6-171-172.1-164.23.5112K40K40-R70 HydrophobicContact CG-CG 4Å
71G68.4Low75.8Confident16 Ų1671 Ų7117%0.16535%0.35CS..SBendtrans106.9167.1166.800000113.9F41 R73F41-G71 VanDerWaalsContact CE2-O 3.29Å; F41-G71 WeakPolarHBondContact CE2-O 3.25Å; G71-R73 PolarHBondContact O-N 2.79Å
72P65.4Low77.1Confident79 Ų7964.4 Ų64.451%0.51332%0.315SS..SBendtrans-72.2-12.2-171.429.4-36.2000114.4
73R73.2Confident78.1Confident145 Ų14568.3 Ų68.355%0.54733%0.328SS..SBendtrans-13471.8177.5-66.1-175.6-177.8171.8-1.3108.7R19 A20 G71 Y75R19-R73 HydrophobicContact CG-CB 4.48Å; A20-R73 WeakPolarHBondContact O-CA 3Å; G71-R73 PolarHBondContact O-N 2.79Å; R73-Y75 PolarHBondContact O-N 3.27Å
74P75.7Confident78.9Confident0 Ų064.6 Ų64.60%031%0.312CS..  trans-61.5124.2-172.226.9-34.4000109.6R19 A20 F22 F41 V69 F76R19-P74 WeakPolarHBondContact CA-O 3.09Å; A20-P74 HydrophobicContact CB-CG 3.96Å; A20-P74 PolarHBondContact N-O 2.93Å; A20-P74 VanDerWaalsContact N-O 3.11Å; F22-P74 HydrophobicContact CE2-CG 3.97Å; F22-P74 HydrophobicContact CZ-CG 4.5Å; F41-P74 HydrophobicContact CB-CB 3.96Å; F41-P74 HydrophobicContact CB-CG 3.99Å; F41-P74 HydrophobicContact CD1-CG 4.34Å; F41-P74 HydrophobicContact CD2-CB 4.04Å; F41-P74 HydrophobicContact CD2-CG 3.89Å; F41-P74 HydrophobicContact CG-CB 4.14Å; F41-P74 HydrophobicContact CG-CG 3.82Å; V69-P74 HydrophobicContact CB-CB 3.94Å; V69-P74 HydrophobicContact CG1-CB 3.81Å; P74-F76 HydrophobicContact CB-CE1 4.41Å; P74-F76 HydrophobicContact CB-CE2 3.84Å; P74-F76 HydrophobicContact CB-CZ 3.74Å; P74-F76 HydrophobicContact CG-CE2 3.88Å; P74-F76 HydrophobicContact CG-CZ 3.93Å
75Y83.6Confident79.7Confident111 Ų11163.3 Ų63.344%0.43531%0.308SS..EExtended strand (participates in β ladder)trans-104.1113.8176.1-174.4-104.3000108.4K18 R19 V69 R73 D77K18-Y75 CarbonylContact O-C 3.54Å; K18-Y75 WeakPolarHBondContact O-CA 3.4Å; K18-Y75 WeakPolarHBondContact O-CD2 3.28Å; R19-Y75 HydrophobicContact CB-CD2 4.14Å; V69-Y75 WeakPolarHBondContact CG1-O 3.25Å; R73-Y75 PolarHBondContact O-N 3.27Å; Y75-D77 HydrophobicContact CD1-CB 4.16Å; Y75-D77 HydrophobicContact CE1-CB 3.45Å; Y75-D77 VanDerWaalsContact CE1-CB 3.45Å; Y75-D77 PolarHBondContact OH-OD2 2.85Å
76F82.1Confident80.4Confident9 Ų959 Ų594%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-95.9-47.8-173.9-58-87.4000111.2V17 K18 A20 F41 F43 T66 V69 P74 Q78 L94V17-F76 HydrophobicContact CB-CB 4.46Å; V17-F76 HydrophobicContact CG1-CB 4.25Å; V17-F76 HydrophobicContact CG1-CD2 3.92Å; V17-F76 HydrophobicContact CG1-CG 4.26Å; K18-F76 PolarHBondContact O-N 2.82Å; A20-F76 HydrophobicContact CB-CE2 4.47Å; F41-F76 HydrophobicContact CB-CE1 4.38Å; F41-F76 HydrophobicContact CB-CZ 4.01Å; F43-F76 HydrophobicContact CB-CE1 4.4Å; F43-F76 HydrophobicContact CB-CZ 4.42Å; T66-F76 HydrophobicContact CG2-CB 4.17Å; T66-F76 HydrophobicContact CG2-CD1 3.79Å; T66-F76 HydrophobicContact CG2-CE1 4.49Å; T66-F76 HydrophobicContact CG2-CG 4.16Å; T66-F76 VanDerWaalsContact OG1-CD1 3.27Å; T66-F76 WeakPolarHBondContact OG1-CD1 3.24Å; T66-F76 WeakPolarHBondContact OG1-CE1 3.46Å; V69-F76 HydrophobicContact CB-CD1 4.2Å; V69-F76 HydrophobicContact CB-CE1 4.08Å; V69-F76 HydrophobicContact CG2-CD1 3.4Å; V69-F76 VanDerWaalsContact CG2-CD1 3.4Å; V69-F76 HydrophobicContact CG2-CE1 3.75Å; V69-F76 HydrophobicContact CG2-CG 4.13Å; P74-F76 HydrophobicContact CB-CE1 4.41Å; P74-F76 HydrophobicContact CB-CE2 3.84Å; P74-F76 HydrophobicContact CB-CZ 3.74Å; P74-F76 HydrophobicContact CG-CE2 3.88Å; P74-F76 HydrophobicContact CG-CZ 3.93Å; F76-Q78 HydrophobicContact CB-CG 4.31Å; F76-Q78 WeakPolarHBondContact O-CG 3.14Å; F76-Q78 PolarHBondContact O-N 2.68Å; F76-Q78 PolarHBondContact O-NE2 2.83Å; F76-Q78 VanDerWaalsContact O-NE2 3.12Å; F76-L94 HydrophobicContact CZ-CD1 4.23Å
77D81.6Confident81.3Confident80 Ų8059.7 Ų59.743%0.42829%0.289SS..EExtended strand (participates in β ladder)trans47.940.7-175.9-149.612000114V17 Y75V17-D77 VanDerWaalsContact O-CA 3.31Å; V17-D77 WeakPolarHBondContact O-CA 3.5Å; V17-D77 PolarHBondContact O-N 2.78Å; Y75-D77 HydrophobicContact CD1-CB 4.16Å; Y75-D77 HydrophobicContact CE1-CB 3.45Å; Y75-D77 VanDerWaalsContact CE1-CB 3.45Å; Y75-D77 PolarHBondContact OH-OD2 2.85Å
78Q81Confident82.2Confident68 Ų6856.8 Ų56.832%0.31827%0.27SS..EExtended strand (participates in β ladder)trans-102.7136-176.5-63.4-61.8-5300111.3V16 V17 Y64 T66 F76V16-Q78 CarbonylContact C-O 3.48Å; V16-Q78 VanDerWaalsContact CA-O 3.27Å; V16-Q78 WeakPolarHBondContact CA-O 3.32Å; V17-Q78 PolarHBondContact N-O 3.17Å; V17-Q78 PolarHBondContact O-N 2.74Å; Y64-Q78 WeakPolarHBondContact OH-CB 3.49Å; Y64-Q78 VanDerWaalsContact OH-CG 3.24Å; Y64-Q78 WeakPolarHBondContact OH-CG 3.41Å; T66-Q78 HydrophobicContact CG2-CB 4.32Å; T66-Q78 HydrophobicContact CG2-CG 4.16Å; F76-Q78 HydrophobicContact CB-CG 4.31Å; F76-Q78 WeakPolarHBondContact O-CG 3.14Å; F76-Q78 PolarHBondContact O-N 2.68Å; F76-Q78 PolarHBondContact O-NE2 2.83Å; F76-Q78 VanDerWaalsContact O-NE2 3.12Å
79I84.6Confident83.1Confident86 Ų8654 Ų5444%0.44126%0.257SS..EExtended strand (participates in β ladder)trans-93.7130.9176.5-56.4174.6000108.8K14 V16K14-I79 HydrophobicContact CD-CG2 4.11Å; K14-I79 HydrophobicContact CG-CG2 3.72Å; V16-I79 HydrophobicContact CG1-CG1 4.36Å; V16-I79 HydrophobicContact CG2-CG1 4.07Å
80V84.3Confident83.8Confident7 Ų752.7 Ų52.74%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-124.4120.1176.5-161.50000107.9K14 L15 F63 Y64 F82K14-V80 CarbonylContact C-O 3.51Å; K14-V80 WeakPolarHBondContact CA-O 2.93Å; L15-V80 PolarHBondContact N-O 3.47Å; L15-V80 PolarHBondContact O-N 2.99Å; F63-V80 HydrophobicContact CD2-CG1 4.17Å; F63-V80 HydrophobicContact CE2-CG1 3.47Å; F63-V80 VanDerWaalsContact CE2-CG1 3.47Å; F63-V80 HydrophobicContact CZ-CG1 4.4Å; Y64-V80 HydrophobicContact CD1-CB 4.31Å; Y64-V80 HydrophobicContact CD1-CG1 3.99Å; Y64-V80 HydrophobicContact CD1-CG2 3.32Å; Y64-V80 HydrophobicContact CD2-CB 4.27Å; Y64-V80 HydrophobicContact CD2-CG1 3.6Å; Y64-V80 HydrophobicContact CD2-CG2 3.79Å; Y64-V80 HydrophobicContact CE1-CG2 3.28Å; Y64-V80 HydrophobicContact CE2-CG1 4.34Å; Y64-V80 HydrophobicContact CE2-CG2 3.79Å; Y64-V80 HydrophobicContact CG-CB 4.15Å; Y64-V80 HydrophobicContact CG-CG1 3.41Å; Y64-V80 VanDerWaalsContact CG-CG1 3.41Å; Y64-V80 HydrophobicContact CG-CG2 3.58Å; V80-F82 HydrophobicContact CB-CD1 4.44Å; V80-F82 HydrophobicContact CG1-CD1 4Å; V80-F82 HydrophobicContact CG1-CE1 4.49Å
81N90.1Very high84.6Confident109 Ų10943.8 Ų43.858%0.58322%0.215SC*.EExtended strand (participates in β ladder)trans-107.7129.6174.7-56.9-65000108.5V13 K14V13-N81 VanDerWaalsContact O-CA 3.31Å; V13-N81 WeakPolarHBondContact O-CA 3.45Å; K14-N81 VanDerWaalsContact CB-OD1 3.29Å; K14-N81 WeakPolarHBondContact CB-OD1 3.36Å; K14-N81 VanDerWaalsContact CG-OD1 3.32Å; K14-N81 WeakPolarHBondContact CG-OD1 3.44Å
82F89.8Confident85.6Confident16 Ų1643 Ų437%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-154.8157.9178.357.9-86.7000110.3V13 L15 V47 F63 V80 A84 I90V13-F82 HydrophobicContact CB-CD2 4.23Å; V13-F82 HydrophobicContact CB-CE1 4.31Å; V13-F82 HydrophobicContact CB-CE2 3.85Å; V13-F82 HydrophobicContact CB-CZ 3.91Å; V13-F82 HydrophobicContact CG1-CE1 4.13Å; V13-F82 HydrophobicContact CG1-CE2 4.11Å; V13-F82 HydrophobicContact CG1-CZ 3.71Å; V13-F82 HydrophobicContact CG2-CE2 4.18Å; V13-F82 PolarHBondContact N-O 3.43Å; V13-F82 PolarHBondContact O-N 3.12Å; L15-F82 HydrophobicContact CB-CE1 3.82Å; L15-F82 HydrophobicContact CB-CZ 4.41Å; L15-F82 HydrophobicContact CD2-CE1 4.34Å; V47-F82 HydrophobicContact CG2-CD2 3.51Å; V47-F82 HydrophobicContact CG2-CE2 3.76Å; V47-F82 HydrophobicContact CG2-CG 4.36Å; F63-F82 HydrophobicContact CD2-CB 4.17Å; F63-F82 HydrophobicContact CD2-CD1 4.48Å; F63-F82 HydrophobicContact CD2-CG 4.46Å; F63-F82 HydrophobicContact CE2-CB 3.79Å; F63-F82 AromaticContact CE2-CD1 3.37Å; F63-F82 HydrophobicContact CE2-CD1 3.37Å; F63-F82 HydrophobicContact CE2-CD2 4.45Å; F63-F82 HydrophobicContact CE2-CE1 4.01Å; F63-F82 AromaticContact CE2-CG 3.62Å; F63-F82 HydrophobicContact CE2-CG 3.62Å; F63-F82 HydrophobicContact CZ-CB 4.32Å; F63-F82 AromaticContact CZ-CD1 3.55Å; F63-F82 HydrophobicContact CZ-CD1 3.55Å; F63-F82 HydrophobicContact CZ-CD2 4.17Å; F63-F82 AromaticContact CZ-CE1 3.77Å; F63-F82 HydrophobicContact CZ-CE1 3.77Å; F63-F82 HydrophobicContact CZ-CE2 4.38Å; F63-F82 AromaticContact CZ-CG 3.75Å; F63-F82 HydrophobicContact CZ-CG 3.75Å; F63-F82 HydrophobicContact CZ-CZ 4.18Å; V80-F82 HydrophobicContact CB-CD1 4.44Å; V80-F82 HydrophobicContact CG1-CD1 4Å; V80-F82 HydrophobicContact CG1-CE1 4.49Å; F82-A84 HydrophobicContact CD2-CB 4.06Å; F82-A84 HydrophobicContact CE2-CB 3.94Å; F82-I90 HydrophobicContact CE2-CD1 3.92Å; F82-I90 HydrophobicContact CE2-CG1 3.88Å; F82-I90 HydrophobicContact CZ-CD1 3.92Å; F82-I90 HydrophobicContact CZ-CG1 4.07Å; F82-I90 HydrophobicContact CZ-CG2 4.03Å
83K90Very high86.6Confident120 Ų12039.8 Ų39.852%0.52218%0.184SC..EExtended strand (participates in β ladder)trans-89.4140.1168.6-69.1-174.6179.6-176.70110V11 Q12V11-K83 WeakPolarHBondContact O-CA 3.38Å; Q12-K83 VanDerWaalsContact CD-CG 3.46Å; Q12-K83 HydrophobicContact CG-CG 4.29Å
84A89.2Confident87.3Confident1 Ų132.9 Ų32.91%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-148.2143.7171.600000110E10 V11 V13 V47 F82E10-A84 WeakPolarHBondContact CA-O 3.45Å; V11-A84 PolarHBondContact N-O 2.84Å; V11-A84 PolarHBondContact O-N 3.09Å; V11-A84 VanDerWaalsContact O-N 3.14Å; V13-A84 HydrophobicContact CG2-CB 4.42Å; V47-A84 HydrophobicContact CG1-CB 3.79Å; V47-A84 HydrophobicContact CG2-CB 4.33Å; F82-A84 HydrophobicContact CD2-CB 4.06Å; F82-A84 HydrophobicContact CE2-CB 3.94Å
85D90.7Very high87.6Confident13 Ų1333.3 Ų33.37%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-59.2143.5165.4-169.4-80.7000109S7 S9 D87 S88 Q172S7-D85 PolarHBondContact OG-OD2 2.88Å; S9-D85 VanDerWaalsContact CB-OD2 3.28Å; S9-D85 WeakPolarHBondContact CB-OD2 3.37Å; S9-D85 CarbonylContact O-C 3.53Å; S9-D85 VanDerWaalsContact O-CA 3.32Å; S9-D85 WeakPolarHBondContact O-CA 3.37Å; S9-D85 PolarHBondContact OG-OD2 2.8Å; D85-D87 PolarHBondContact O-N 3.37Å; D85-D87 WeakPolarHBondContact OD1-CB 3.32Å; D85-D87 PolarHBondContact OD1-N 3.02Å; D85-S88 WeakPolarHBondContact CB-OG 3.38Å; D85-S88 WeakPolarHBondContact O-CB 3.26Å; D85-S88 PolarHBondContact O-N 3.27Å; D85-Q172 PolarHBondContact OD1-NE2 2.78Å; D85-Q172 PolarHBondContact OD2-NE2 2.79Å
86V91.7Very high87.3Confident0 Ų028 Ų280%014%0.141CC..THydrogen-bonded Turntrans-56.7-23.3177.9-69.10000113.2S9 V11 R115 L165 A168 L169 Q172S9-V86 PolarHBondContact O-N 3.45Å; V11-V86 HydrophobicContact CG1-CG1 3.82Å; V11-V86 HydrophobicContact CG2-CG1 4.13Å; V86-R115 VanDerWaalsContact O-CB 3.27Å; V86-R115 WeakPolarHBondContact O-CB 3.17Å; V86-R115 PolarHBondContact O-N 2.88Å; V86-L165 HydrophobicContact CG1-CD1 4.01Å; V86-A168 HydrophobicContact CG1-CB 3.57Å; V86-L169 HydrophobicContact CB-CD2 4.32Å; V86-L169 HydrophobicContact CG1-CD2 4.49Å; V86-L169 HydrophobicContact CG2-CD2 4.27Å; V86-Q172 HydrophobicContact CG2-CB 4.42Å; V86-Q172 HydrophobicContact CG2-CG 3.82Å
87D91.2Very high87Confident20 Ų2030.7 Ų30.711%0.10715%0.151CC..THydrogen-bonded Turntrans-99.5-3.5174.7-69.5-59.7000114.5P50 D85 R115 Q172 R176P50-D87 WeakPolarHBondContact CA-O 3.46Å; P50-D87 HydrophobicContact CB-CB 4.05Å; P50-D87 WeakPolarHBondContact CB-O 3.33Å; P50-D87 HydrophobicContact CG-CB 4Å; D85-D87 PolarHBondContact O-N 3.37Å; D85-D87 WeakPolarHBondContact OD1-CB 3.32Å; D85-D87 PolarHBondContact OD1-N 3.02Å; D87-R115 WeakPolarHBondContact OD1-CD 3.44Å; D87-R115 IonicContact OD1-CZ 3.68Å; D87-R115 IonicContact OD1-NE 3.26Å; D87-R115 PolarHBondContact OD1-NE 3.4Å; D87-R115 IonicContact OD1-NH2 3.92Å; D87-R115 IonicContact OD2-CZ 2.86Å; D87-R115 IonicContact OD2-NE 2.83Å; D87-R115 PolarHBondContact OD2-NE 2.8Å; D87-R115 IonicContact OD2-NH2 2.87Å; D87-R115 PolarHBondContact OD2-NH2 2.71Å; D87-Q172 VanDerWaalsContact OD2-CD 3.27Å; D87-Q172 WeakPolarHBondContact OD2-CG 3.29Å; D87-Q172 PolarHBondContact OD2-OE1 3.2Å; D87-R176 IonicContact OD1-NH2 2.67Å; D87-R176 PolarHBondContact OD1-NH2 3.04Å; D87-R176 IonicContact OD2-CZ 2.78Å; D87-R176 IonicContact OD2-NH2 3.79Å; D87-R176 PolarHBondContact OD2-NH2 2.85Å
88S90.6Very high86.3Confident12 Ų1228.6 Ų28.68%0.08414%0.139CC..SBendtrans-64.9143.6172.5-76.30000110.8L48 D85 T113L48-S88 WeakPolarHBondContact O-CA 3.44Å; L48-S88 WeakPolarHBondContact O-CB 3.44Å; D85-S88 WeakPolarHBondContact CB-OG 3.38Å; D85-S88 WeakPolarHBondContact O-CB 3.26Å; D85-S88 PolarHBondContact O-N 3.27Å; S88-T113 WeakPolarHBondContact O-CB 3.24Å; S88-T113 WeakPolarHBondContact O-CG2 3.33Å
89I91Very high85.5Confident24 Ų2428.9 Ų28.912%0.12315%0.149CC..EExtended strand (participates in β ladder)trans-87.6114.7179.2-62.7169.1000108L48 S52 E91 R111 T113L48-I89 HydrophobicContact CB-CB 4.18Å; L48-I89 PolarHBondContact N-O 2.72Å; L48-I89 PolarHBondContact O-N 2.81Å; S52-I89 VanDerWaalsContact O-CD1 3.25Å; S52-I89 WeakPolarHBondContact O-CD1 3.36Å; I89-E91 PolarHBondContact O-N 2.83Å; I89-R111 HydrophobicContact CG2-CB 3.9Å; I89-R111 HydrophobicContact CG2-CG 3.8Å; I89-T113 HydrophobicContact CG1-CG2 4.2Å
90I91.5Very high84.6Confident1 Ų133.7 Ų33.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-84.8100.7170.1-58.4157.2000106F82 R111 F112 V114F82-I90 HydrophobicContact CE2-CD1 3.92Å; F82-I90 HydrophobicContact CE2-CG1 3.88Å; F82-I90 HydrophobicContact CZ-CD1 3.92Å; F82-I90 HydrophobicContact CZ-CG1 4.07Å; F82-I90 HydrophobicContact CZ-CG2 4.03Å; I90-R111 WeakPolarHBondContact O-CA 3.35Å; I90-F112 HydrophobicContact CB-CD1 4.45Å; I90-F112 HydrophobicContact CB-CD2 4.41Å; I90-F112 HydrophobicContact CB-CE1 4.1Å; I90-F112 HydrophobicContact CB-CE2 4.06Å; I90-F112 HydrophobicContact CB-CZ 3.89Å; I90-F112 HydrophobicContact CD1-CD2 4.06Å; I90-F112 HydrophobicContact CD1-CE2 3.46Å; I90-F112 VanDerWaalsContact CD1-CE2 3.46Å; I90-F112 HydrophobicContact CD1-CZ 3.95Å; I90-F112 HydrophobicContact CG1-CE2 4.37Å; I90-F112 HydrophobicContact CG2-CE1 3.8Å; I90-F112 HydrophobicContact CG2-CE2 4.24Å; I90-F112 HydrophobicContact CG2-CZ 3.6Å; I90-F112 PolarHBondContact N-O 2.98Å; I90-F112 PolarHBondContact O-N 2.86Å; I90-F112 VanDerWaalsContact O-N 3.13Å; I90-V114 HydrophobicContact CD1-CG2 3.91Å
91E90.2Very high83.5Confident2 Ų238.8 Ų38.81%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-91132.3173.1179.6169.7105.700108.9A45 E46 L48 I89 R93 Y109 G110 R111A45-E91 CarbonylContact C-O 3.52Å; A45-E91 VanDerWaalsContact CA-O 3.3Å; A45-E91 WeakPolarHBondContact CA-O 3.38Å; E46-E91 PolarHBondContact N-O 2.83Å; E46-E91 PolarHBondContact O-N 2.78Å; L48-E91 HydrophobicContact CD1-CB 3.97Å; L48-E91 HydrophobicContact CG-CB 4.43Å; I89-E91 PolarHBondContact O-N 2.83Å; E91-R93 HydrophobicContact CG-CG 4.37Å; E91-R93 IonicContact OE1-CZ 3.4Å; E91-R93 VanDerWaalsContact OE1-CZ 3.26Å; E91-R93 IonicContact OE1-NE 3.3Å; E91-R93 PolarHBondContact OE1-NE 2.86Å; E91-R93 IonicContact OE1-NH2 2.77Å; E91-R93 PolarHBondContact OE1-NH2 3.37Å; E91-Y109 HydrophobicContact CG-CD2 4.37Å; E91-G110 CarbonylContact C-O 3.45Å; E91-G110 WeakPolarHBondContact CA-O 3.22Å; E91-R111 HydrophobicContact CB-CG 4.09Å; E91-R111 HydrophobicContact CG-CG 4.14Å; E91-R111 IonicContact OE2-CZ 3.1Å; E91-R111 IonicContact OE2-NE 2.67Å; E91-R111 PolarHBondContact OE2-NE 2.87Å; E91-R111 IonicContact OE2-NH2 2.68Å; E91-R111 PolarHBondContact OE2-NH2 2.9Å
92F89.3Confident82.1Confident1 Ų140.9 Ų40.90%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-116.2148.6164.865-95.8000111.1F43 T44 Y109 G110 F112 Q132 I134 I154 L156F43-F92 HydrophobicContact CD2-CB 4.02Å; F43-F92 HydrophobicContact CD2-CD2 4.06Å; F43-F92 HydrophobicContact CD2-CG 4.31Å; F43-F92 HydrophobicContact CE1-CB 3.95Å; F43-F92 HydrophobicContact CE2-CB 3.13Å; F43-F92 HydrophobicContact CE2-CD1 4.21Å; F43-F92 AromaticContact CE2-CD2 3.45Å; F43-F92 HydrophobicContact CE2-CD2 3.45Å; F43-F92 VanDerWaalsContact CE2-CD2 3.45Å; F43-F92 HydrophobicContact CE2-CE2 4.39Å; F43-F92 AromaticContact CE2-CG 3.34Å; F43-F92 HydrophobicContact CE2-CG 3.34Å; F43-F92 HydrophobicContact CZ-CB 3.1Å; F43-F92 HydrophobicContact CZ-CD1 4.4Å; F43-F92 HydrophobicContact CZ-CD2 4.29Å; F43-F92 AromaticContact CZ-CG 3.73Å; F43-F92 HydrophobicContact CZ-CG 3.73Å; T44-F92 CarbonylContact O-C 3.53Å; T44-F92 WeakPolarHBondContact O-CA 3.48Å; F92-Y109 CarbonylContact O-C 3.6Å; F92-Y109 WeakPolarHBondContact O-CA 3.15Å; F92-Y109 VanDerWaalsContact O-CB 3.25Å; F92-Y109 WeakPolarHBondContact O-CB 3.07Å; F92-G110 WeakPolarHBondContact CD1-O 3.28Å; F92-G110 VanDerWaalsContact CE1-CA 3.47Å; F92-G110 PolarHBondContact N-O 3.23Å; F92-G110 PolarHBondContact O-N 3.03Å; F92-F112 HydrophobicContact CD1-CE1 4.32Å; F92-Q132 HydrophobicContact CE1-CB 3.66Å; F92-Q132 HydrophobicContact CE1-CG 4.23Å; F92-Q132 HydrophobicContact CZ-CB 3.79Å; F92-I134 HydrophobicContact CE2-CG1 4.32Å; F92-I154 HydrophobicContact CD2-CG2 4.4Å; F92-I154 HydrophobicContact CE1-CG2 3.92Å; F92-I154 HydrophobicContact CE2-CG2 3.6Å; F92-I154 HydrophobicContact CZ-CG2 3.3Å; F92-L156 HydrophobicContact CE1-CD1 4.45Å
93R87.3Confident80.9Confident10 Ų1048.1 Ų48.14%0.03823%0.23CC..EExtended strand (participates in β ladder)trans-126.7146.5173.2-52.5-173.3179.3-177.69.3110.1F43 T44 I55 P56 E91 E106 G108F43-R93 CarbonylContact C-O 3.57Å; F43-R93 WeakPolarHBondContact CA-O 3.48Å; T44-R93 PolarHBondContact N-O 2.7Å; T44-R93 PolarHBondContact O-N 3.04Å; T44-R93 WeakPolarHBondContact OG1-CB 3.46Å; I55-R93 VanDerWaalsContact CG2-NH2 3.26Å; P56-R93 PolarHBondContact O-NH1 3.01Å; P56-R93 PolarHBondContact O-NH2 3.4Å; E91-R93 HydrophobicContact CG-CG 4.37Å; E91-R93 IonicContact OE1-CZ 3.4Å; E91-R93 VanDerWaalsContact OE1-CZ 3.26Å; E91-R93 IonicContact OE1-NE 3.3Å; E91-R93 PolarHBondContact OE1-NE 2.86Å; E91-R93 IonicContact OE1-NH2 2.77Å; E91-R93 PolarHBondContact OE1-NH2 3.37Å; R93-E106 VanDerWaalsContact CD-CD 3.46Å; R93-E106 WeakPolarHBondContact CD-OE1 3.21Å; R93-E106 VanDerWaalsContact CD-OE2 3.28Å; R93-E106 WeakPolarHBondContact CD-OE2 3.3Å; R93-E106 IonicContact CZ-OE2 2.75Å; R93-E106 IonicContact NE-OE2 3.81Å; R93-E106 IonicContact NH1-OE1 3.45Å; R93-E106 IonicContact NH1-OE2 2.98Å; R93-E106 PolarHBondContact NH1-OE2 3.22Å; R93-G108 WeakPolarHBondContact CA-O 3.28Å
94L87.1Confident80Confident1 Ų143.7 Ų43.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-112.2123.2176-179.980.9000108F22 F41 F76 E106 V107 G108 I134F22-L94 HydrophobicContact CE1-CD2 3.19Å; F22-L94 HydrophobicContact CE2-CD2 4.36Å; F22-L94 HydrophobicContact CZ-CD1 4.38Å; F22-L94 HydrophobicContact CZ-CD2 3.11Å; F22-L94 HydrophobicContact CZ-CG 4.33Å; F41-L94 HydrophobicContact CB-CD1 4.32Å; F41-L94 HydrophobicContact CD1-CD1 4.01Å; F41-L94 HydrophobicContact CD1-CD2 4.07Å; F41-L94 HydrophobicContact CD1-CG 4.17Å; F41-L94 HydrophobicContact CE1-CD2 4.32Å; F76-L94 HydrophobicContact CZ-CD1 4.23Å; L94-E106 CarbonylContact O-C 3.53Å; L94-E106 WeakPolarHBondContact O-CA 3.41Å; L94-V107 HydrophobicContact CB-CG2 4.38Å; L94-V107 HydrophobicContact CD2-CG2 3.68Å; L94-V107 HydrophobicContact CG-CG2 4.13Å; L94-V107 WeakPolarHBondContact O-CG2 3.43Å; L94-V107 PolarHBondContact O-N 3.1Å; L94-G108 PolarHBondContact N-O 2.99Å; L94-I134 HydrophobicContact CD2-CD1 4.47Å
95S82.4Confident79.3Confident8 Ų846 Ų466%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-108.6145.7171.6-15.80000111.5F41 N42 I105F41-S95 WeakPolarHBondContact CA-O 3.48Å; N42-S95 PolarHBondContact N-O 2.69Å; N42-S95 PolarHBondContact O-N 3.08Å; N42-S95 VanDerWaalsContact OD1-CB 3.28Å; N42-S95 WeakPolarHBondContact OD1-CB 3.25Å; N42-S95 PolarHBondContact OD1-O 3.4Å; S95-I105 CarbonylContact C-O 3.55Å; S95-I105 VanDerWaalsContact CA-O 3.25Å; S95-I105 WeakPolarHBondContact CA-O 3.32Å
96V78.6Confident78.8Confident1 Ų147 Ų471%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-120.4126.3-179.3-174.90000108.1I34 C39 K40 F41 I105 V107I34-V96 HydrophobicContact CD1-CB 4.34Å; I34-V96 HydrophobicContact CD1-CG1 3.75Å; C39-V96 HydrophobicContact CB-CG1 3.59Å; C39-V96 WeakPolarHBondContact SG-CG1 3.47Å; K40-V96 WeakPolarHBondContact O-CA 3.37Å; F41-V96 HydrophobicContact CD1-CG2 3.65Å; F41-V96 HydrophobicContact CE1-CB 4.43Å; F41-V96 HydrophobicContact CE1-CG1 4.28Å; F41-V96 HydrophobicContact CE1-CG2 3.4Å; F41-V96 HydrophobicContact CZ-CG1 4.47Å; F41-V96 HydrophobicContact CZ-CG2 4.31Å; V96-I105 PolarHBondContact N-O 2.83Å; V96-I105 PolarHBondContact O-N 2.94Å; V96-V107 HydrophobicContact CB-CG1 3.85Å; V96-V107 HydrophobicContact CG2-CB 4.08Å; V96-V107 HydrophobicContact CG2-CG1 3.46Å; V96-V107 VanDerWaalsContact CG2-CG1 3.46Å; V96-V107 HydrophobicContact CG2-CG2 3.47Å; V96-V107 VanDerWaalsContact CG2-CG2 3.47Å
97R74Confident78.2Confident65 Ų6547 Ų4725%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-113.7133.9175.4-29-156.7-176.2-177.63.9108.9K40 N42 D102 G104K40-R97 HydrophobicContact CB-CB 4.21Å; K40-R97 PolarHBondContact N-O 2.99Å; K40-R97 PolarHBondContact O-N 2.72Å; N42-R97 PolarHBondContact ND2-NH2 2.84Å; N42-R97 PolarHBondContact OD1-NE 2.84Å; R97-D102 PolarHBondContact NH1-O 3.44Å; R97-D102 VanDerWaalsContact NH1-O 3.11Å; R97-G104 VanDerWaalsContact CG-CA 3.49Å
98D68.3Low77.9Confident35 Ų3546.1 Ų46.119%0.18723%0.23CC..  trans-73.5147.9161.5-172.9-1.9000107.6I34 K100 R101I34-D98 HydrophobicContact CD1-CB 4.23Å; I34-D98 HydrophobicContact CG1-CB 4.2Å; I34-D98 HydrophobicContact CG2-CB 3.76Å; D98-K100 PolarHBondContact O-N 3.41Å; D98-R101 PolarHBondContact O-N 2.91Å
99S63.4Low77.8Confident75 Ų7546.9 Ų46.952%0.52423%0.231SC..THydrogen-bonded Turntrans-43.6-23.1167.158.30000115.6
100K66.3Low77.7Confident186 Ų18645.9 Ų45.981%0.80923%0.226SC*.THydrogen-bonded Turntrans-100.1-10.7-178.6-62.9-175.7178.4-1770115.7D98D98-K100 PolarHBondContact O-N 3.41Å
101R61.8Low77.7Confident114 Ų11448.8 Ų48.843%0.4324%0.237SC..  trans-111.9129.5-177.2-69.6-176.8178.1158.8-0.8109.9D98D98-R101 PolarHBondContact O-N 2.91Å
102D60.1Low77.9Confident153 Ų15349 Ų4982%0.81824%0.239SC*.SBendtrans-70.7-38.9173.1-97.8-19.1000111.6R97R97-D102 PolarHBondContact NH1-O 3.44Å; R97-D102 VanDerWaalsContact NH1-O 3.11Å
103E64.1Low78.1Confident168 Ų16850.3 Ų50.379%0.78525%0.247SC*.SBendtrans-81.7124.3177.4-67.3-175.2168.300110.9
104G70.7Confident78.4Confident27 Ų2749.9 Ų49.928%0.27825%0.245SC..PPolyproline II helixtrans-78.4139.7171.500000111.1R97R97-G104 VanDerWaalsContact CG-CA 3.49Å
105I75.2Confident78.7Confident50 Ų5052.7 Ų52.726%0.25626%0.255SS..EExtended strand (participates in β ladder)trans-89.4121172.6-63.2166.1000107.6S95 V96 V107S95-I105 CarbonylContact C-O 3.55Å; S95-I105 VanDerWaalsContact CA-O 3.25Å; S95-I105 WeakPolarHBondContact CA-O 3.32Å; V96-I105 PolarHBondContact N-O 2.83Å; V96-I105 PolarHBondContact O-N 2.94Å; I105-V107 PolarHBondContact O-N 3.33Å
106E79.6Confident79.2Confident35 Ų3554.6 Ų54.616%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-64.6121.1168.9-56.4-167.8138.800109.2R93 L94 L137 L140R93-E106 VanDerWaalsContact CD-CD 3.46Å; R93-E106 WeakPolarHBondContact CD-OE1 3.21Å; R93-E106 VanDerWaalsContact CD-OE2 3.28Å; R93-E106 WeakPolarHBondContact CD-OE2 3.3Å; R93-E106 IonicContact CZ-OE2 2.75Å; R93-E106 IonicContact NE-OE2 3.81Å; R93-E106 IonicContact NH1-OE1 3.45Å; R93-E106 IonicContact NH1-OE2 2.98Å; R93-E106 PolarHBondContact NH1-OE2 3.22Å; L94-E106 CarbonylContact O-C 3.53Å; L94-E106 WeakPolarHBondContact O-CA 3.41Å; E106-L137 HydrophobicContact CB-CD1 3.32Å; E106-L137 WeakPolarHBondContact O-CD1 3.49Å; E106-L140 WeakPolarHBondContact O-CD1 3.28Å
107V79.1Confident79.9Confident0 Ų054.7 Ų54.70%027%0.269CS..EExtended strand (participates in β ladder)trans-102.3-28-177.2-64.60000112.6W28 A32 L94 V96 I105 L140 L151W28-V107 HydrophobicContact CH2-CG2 4.24Å; W28-V107 HydrophobicContact CZ3-CB 4.12Å; W28-V107 HydrophobicContact CZ3-CG1 4.29Å; W28-V107 HydrophobicContact CZ3-CG2 3.97Å; A32-V107 HydrophobicContact CB-CG1 4.34Å; L94-V107 HydrophobicContact CB-CG2 4.38Å; L94-V107 HydrophobicContact CD2-CG2 3.68Å; L94-V107 HydrophobicContact CG-CG2 4.13Å; L94-V107 WeakPolarHBondContact O-CG2 3.43Å; L94-V107 PolarHBondContact O-N 3.1Å; V96-V107 HydrophobicContact CB-CG1 3.85Å; V96-V107 HydrophobicContact CG2-CB 4.08Å; V96-V107 HydrophobicContact CG2-CG1 3.46Å; V96-V107 VanDerWaalsContact CG2-CG1 3.46Å; V96-V107 HydrophobicContact CG2-CG2 3.47Å; V96-V107 VanDerWaalsContact CG2-CG2 3.47Å; I105-V107 PolarHBondContact O-N 3.33Å; V107-L140 VanDerWaalsContact CA-CD1 3.48Å; V107-L140 HydrophobicContact CB-CD1 4.44Å; V107-L140 WeakPolarHBondContact O-CD1 3.37Å; V107-L151 WeakPolarHBondContact O-CD1 3.21Å
108G85.7Confident80.7Confident0 Ų051.7 Ų51.70%026%0.258CS..EExtended strand (participates in β ladder)trans-165.6168.7-176.800000113R93 L94 K135R93-G108 WeakPolarHBondContact CA-O 3.28Å; L94-G108 PolarHBondContact N-O 2.99Å; G108-K135 CarbonylContact C-O 3.41Å; G108-K135 WeakPolarHBondContact CA-O 3.34Å
109Y88.7Confident81.7Confident29 Ų2953.8 Ų53.811%0.11428%0.28CS..EExtended strand (participates in β ladder)trans-146.6164.1-17679.9-70.2000110.9I55 E91 F92 R111 K135 L137I55-Y109 HydrophobicContact CD1-CD1 4.26Å; I55-Y109 HydrophobicContact CD1-CD2 4.43Å; I55-Y109 HydrophobicContact CD1-CE1 3.71Å; I55-Y109 HydrophobicContact CD1-CE2 3.89Å; I55-Y109 HydrophobicContact CG1-CE2 4.08Å; E91-Y109 HydrophobicContact CG-CD2 4.37Å; F92-Y109 CarbonylContact O-C 3.6Å; F92-Y109 WeakPolarHBondContact O-CA 3.15Å; F92-Y109 VanDerWaalsContact O-CB 3.25Å; F92-Y109 WeakPolarHBondContact O-CB 3.07Å; Y109-R111 HydrophobicContact CD2-CG 4.16Å; Y109-R111 HydrophobicContact CE2-CG 4.1Å; Y109-K135 HydrophobicContact CD1-CB 4.13Å; Y109-K135 WeakPolarHBondContact CD1-O 3.33Å; Y109-K135 HydrophobicContact CE1-CB 3.74Å; Y109-K135 PolarHBondContact N-O 2.84Å; Y109-K135 PolarHBondContact O-N 2.88Å; Y109-L137 HydrophobicContact CD1-CD2 3.74Å; Y109-L137 HydrophobicContact CD1-CG 4.13Å; Y109-L137 HydrophobicContact CE1-CD2 4.5Å; Y109-L137 HydrophobicContact CG-CD2 4.08Å
110G89.4Confident82.9Confident2 Ų255.5 Ų55.52%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-147.2161.5167.200000110.7E91 F92E91-G110 CarbonylContact C-O 3.45Å; E91-G110 WeakPolarHBondContact CA-O 3.22Å; F92-G110 WeakPolarHBondContact CD1-O 3.28Å; F92-G110 VanDerWaalsContact CE1-CA 3.47Å; F92-G110 PolarHBondContact N-O 3.23Å; F92-G110 PolarHBondContact O-N 3.03Å
111R91.1Very high83.9Confident62 Ų6249.8 Ų49.823%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-139.5136.2-174.1-71.9179.7176.2-171.5-5109.5S52 S53 T54 I55 I89 I90 E91 Y109S52-R111 PolarHBondContact O-NH1 2.8Å; S53-R111 PolarHBondContact O-NH1 3.13Å; S53-R111 VanDerWaalsContact O-NH1 3.16Å; T54-R111 PolarHBondContact O-NH2 3.09Å; I55-R111 VanDerWaalsContact CA-NH2 3.32Å; I89-R111 HydrophobicContact CG2-CB 3.9Å; I89-R111 HydrophobicContact CG2-CG 3.8Å; I90-R111 WeakPolarHBondContact O-CA 3.35Å; E91-R111 HydrophobicContact CB-CG 4.09Å; E91-R111 HydrophobicContact CG-CG 4.14Å; E91-R111 IonicContact OE2-CZ 3.1Å; E91-R111 IonicContact OE2-NE 2.67Å; E91-R111 PolarHBondContact OE2-NE 2.87Å; E91-R111 IonicContact OE2-NH2 2.68Å; E91-R111 PolarHBondContact OE2-NH2 2.9Å; Y109-R111 HydrophobicContact CD2-CG 4.16Å; Y109-R111 HydrophobicContact CE2-CG 4.1Å
112F93.1Very high84.9Confident8 Ų847 Ų474%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-148.4164.7168.464-83.9000109.8L15 I90 F92 V117 F130 Q132 L156 I158L15-F112 HydrophobicContact CD1-CZ 3.84Å; L15-F112 HydrophobicContact CD2-CZ 4.06Å; I90-F112 HydrophobicContact CB-CD1 4.45Å; I90-F112 HydrophobicContact CB-CD2 4.41Å; I90-F112 HydrophobicContact CB-CE1 4.1Å; I90-F112 HydrophobicContact CB-CE2 4.06Å; I90-F112 HydrophobicContact CB-CZ 3.89Å; I90-F112 HydrophobicContact CD1-CD2 4.06Å; I90-F112 HydrophobicContact CD1-CE2 3.46Å; I90-F112 VanDerWaalsContact CD1-CE2 3.46Å; I90-F112 HydrophobicContact CD1-CZ 3.95Å; I90-F112 HydrophobicContact CG1-CE2 4.37Å; I90-F112 HydrophobicContact CG2-CE1 3.8Å; I90-F112 HydrophobicContact CG2-CE2 4.24Å; I90-F112 HydrophobicContact CG2-CZ 3.6Å; I90-F112 PolarHBondContact N-O 2.98Å; I90-F112 PolarHBondContact O-N 2.86Å; I90-F112 VanDerWaalsContact O-N 3.13Å; F92-F112 HydrophobicContact CD1-CE1 4.32Å; F112-V117 HydrophobicContact CB-CG2 4.4Å; F112-V117 HydrophobicContact CD2-CG2 3.65Å; F112-V117 HydrophobicContact CE2-CG2 4.34Å; F112-V117 HydrophobicContact CG-CG2 4.33Å; F112-F130 HydrophobicContact CD1-CE2 4.4Å; F112-F130 HydrophobicContact CD2-CE2 4.27Å; F112-F130 HydrophobicContact CD2-CZ 4.17Å; F112-F130 HydrophobicContact CE1-CZ 4.35Å; F112-F130 HydrophobicContact CE2-CE2 4.39Å; F112-F130 AromaticContact CE2-CZ 3.86Å; F112-F130 HydrophobicContact CE2-CZ 3.86Å; F112-F130 HydrophobicContact CG-CE2 4.27Å; F112-F130 AromaticContact CZ-CZ 3.96Å; F112-F130 HydrophobicContact CZ-CZ 3.96Å; F112-Q132 HydrophobicContact CD1-CG 3.96Å; F112-Q132 HydrophobicContact CG-CG 4.48Å; F112-L156 HydrophobicContact CD1-CD1 4.47Å; F112-L156 HydrophobicContact CE1-CD1 3.77Å; F112-L156 HydrophobicContact CZ-CD1 4.26Å; F112-I158 HydrophobicContact CE2-CD1 4.33Å
113T93.9Very high86.2Confident28 Ų2842.7 Ų42.717%0.17225%0.25CC..  trans-117.2154.8168.969.50000109.3S88 I89 R115 S116 V117S88-T113 WeakPolarHBondContact O-CB 3.24Å; S88-T113 WeakPolarHBondContact O-CG2 3.33Å; I89-T113 HydrophobicContact CG1-CG2 4.2Å; T113-R115 PolarHBondContact O-N 3.2Å; T113-S116 PolarHBondContact N-OG 2.87Å; T113-S116 PolarHBondContact O-N 2.96Å; T113-S116 VanDerWaalsContact O-N 3.08Å; T113-S116 PolarHBondContact O-OG 2.84Å; T113-S116 WeakPolarHBondContact OG1-CB 3.43Å; T113-S116 PolarHBondContact OG1-N 3.03Å; T113-S116 PolarHBondContact OG1-OG 2.8Å; T113-V117 PolarHBondContact O-N 2.83Å
114V93.3Very high87.3Confident0 Ų041.1 Ų41.10%024%0.243CC..Hα-helixtrans-57.9-40.3175-176.10000110.3V11 V13 I90 S116 V117 A118 L125 I158 V160 L165V11-V114 HydrophobicContact CG2-CG1 4.24Å; V11-V114 HydrophobicContact CG2-CG2 4.21Å; V13-V114 HydrophobicContact CG2-CG2 3.71Å; I90-V114 HydrophobicContact CD1-CG2 3.91Å; V114-S116 PolarHBondContact O-N 3.31Å; V114-V117 PolarHBondContact O-N 2.91Å; V114-A118 WeakPolarHBondContact O-CB 3.34Å; V114-A118 PolarHBondContact O-N 2.79Å; V114-L125 HydrophobicContact CG1-CD1 3.62Å; V114-I158 HydrophobicContact CG2-CD1 4.4Å; V114-V160 HydrophobicContact CG1-CG2 4.01Å; V114-L165 HydrophobicContact CG1-CD1 3.69Å
115R93.1Very high88.3Confident61 Ų6139.9 Ų39.923%0.2323%0.23CC..Hα-helixtrans-57.4-44.3174.3-176.8-174.3-61.3-82.5-1.9112.4V86 D87 T113 V117 A118 A119 L169V86-R115 VanDerWaalsContact O-CB 3.27Å; V86-R115 WeakPolarHBondContact O-CB 3.17Å; V86-R115 PolarHBondContact O-N 2.88Å; D87-R115 WeakPolarHBondContact OD1-CD 3.44Å; D87-R115 IonicContact OD1-CZ 3.68Å; D87-R115 IonicContact OD1-NE 3.26Å; D87-R115 PolarHBondContact OD1-NE 3.4Å; D87-R115 IonicContact OD1-NH2 3.92Å; D87-R115 IonicContact OD2-CZ 2.86Å; D87-R115 IonicContact OD2-NE 2.83Å; D87-R115 PolarHBondContact OD2-NE 2.8Å; D87-R115 IonicContact OD2-NH2 2.87Å; D87-R115 PolarHBondContact OD2-NH2 2.71Å; T113-R115 PolarHBondContact O-N 3.2Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 3.32Å; R115-A118 PolarHBondContact O-N 2.8Å; R115-A119 VanDerWaalsContact O-CB 3.24Å; R115-A119 WeakPolarHBondContact O-CB 3.27Å; R115-A119 PolarHBondContact O-N 3.08Å; R115-L169 HydrophobicContact CB-CD2 4.35Å; R115-L169 HydrophobicContact CG-CD2 4.1Å
116S93Very high89Confident47 Ų4743.2 Ų43.233%0.32925%0.248SC..Hα-helixtrans-64.3-37.8-179.268.80000112.3T113 V114 T120T113-S116 PolarHBondContact N-OG 2.87Å; T113-S116 PolarHBondContact O-N 2.96Å; T113-S116 VanDerWaalsContact O-N 3.08Å; T113-S116 PolarHBondContact O-OG 2.84Å; T113-S116 WeakPolarHBondContact OG1-CB 3.43Å; T113-S116 PolarHBondContact OG1-N 3.03Å; T113-S116 PolarHBondContact OG1-OG 2.8Å; V114-S116 PolarHBondContact O-N 3.31Å; S116-T120 PolarHBondContact O-N 2.91Å; S116-T120 PolarHBondContact O-OG1 3.05Å
117V93.3Very high89.5Confident4 Ų446.1 Ų46.12%0.02427%0.265CS..Hα-helixtrans-72-42.9176.8-176.40000110.6F112 T113 V114 R115 T120 N121 L125 L128 F130 I158F112-V117 HydrophobicContact CB-CG2 4.4Å; F112-V117 HydrophobicContact CD2-CG2 3.65Å; F112-V117 HydrophobicContact CE2-CG2 4.34Å; F112-V117 HydrophobicContact CG-CG2 4.33Å; T113-V117 PolarHBondContact O-N 2.83Å; V114-V117 PolarHBondContact O-N 2.91Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 3.32Å; V117-T120 PolarHBondContact O-N 3.11Å; V117-N121 PolarHBondContact O-N 3.11Å; V117-N121 VanDerWaalsContact O-N 3.14Å; V117-N121 PolarHBondContact O-ND2 2.63Å; V117-L125 HydrophobicContact CG1-CD2 3.94Å; V117-L128 HydrophobicContact CG1-CD2 3.7Å; V117-F130 HydrophobicContact CG1-CD1 4.28Å; V117-F130 HydrophobicContact CG1-CE1 4.37Å; V117-F130 HydrophobicContact CG1-CG 4.42Å; V117-F130 HydrophobicContact CG2-CD2 4.32Å; V117-F130 HydrophobicContact CG2-CE2 3.84Å; V117-F130 HydrophobicContact CG2-CZ 4.03Å; V117-I158 HydrophobicContact CG1-CG2 4Å
118A92Very high90.2Very high1 Ų147.8 Ų47.81%0.00827%0.273CS..Hα-helixtrans-60.6-45.5175.800000112.7V114 R115 T120 N121 G122 N123 L125 L165V114-A118 WeakPolarHBondContact O-CB 3.34Å; V114-A118 PolarHBondContact O-N 2.79Å; R115-A118 PolarHBondContact O-N 2.8Å; A118-T120 VanDerWaalsContact C-N 3.26Å; A118-T120 PolarHBondContact O-N 2.86Å; A118-N121 PolarHBondContact O-N 3.07Å; A118-G122 PolarHBondContact O-N 2.83Å; A118-N123 PolarHBondContact O-N 3.42Å; A118-N123 VanDerWaalsContact O-N 3.12Å; A118-L125 HydrophobicContact CB-CD1 4.18Å; A118-L125 HydrophobicContact CB-CD2 4.37Å; A118-L125 HydrophobicContact CB-CG 4.45Å; A118-L165 HydrophobicContact CB-CD1 4.33Å; A118-L165 HydrophobicContact CB-CD2 3.94Å
119A89.2Confident90.6Very high79 Ų7950.8 Ų50.865%0.65330%0.298SS*.Hα-helixtrans-63.1-32.7179.500000112.5R115R115-A119 VanDerWaalsContact O-CB 3.24Å; R115-A119 WeakPolarHBondContact O-CB 3.27Å; R115-A119 PolarHBondContact O-N 3.08Å
120T87.6Confident90.8Very high111 Ų11150.6 Ų50.668%0.68130%0.298SS*.Hα-helixtrans-82.3-24.4-179.6-49.20000112.4S116 V117 A118S116-T120 PolarHBondContact O-N 2.91Å; S116-T120 PolarHBondContact O-OG1 3.05Å; V117-T120 PolarHBondContact O-N 3.11Å; A118-T120 VanDerWaalsContact C-N 3.26Å; A118-T120 PolarHBondContact O-N 2.86Å
121N87.5Confident90.9Very high66 Ų6653.8 Ų53.835%0.35332%0.32SS..Hα-helixtrans-124.712.6-169.7-59.6-85.7000114.8V117 A118 L128V117-N121 PolarHBondContact O-N 3.11Å; V117-N121 VanDerWaalsContact O-N 3.14Å; V117-N121 PolarHBondContact O-ND2 2.63Å; A118-N121 PolarHBondContact O-N 3.07Å; N121-L128 HydrophobicContact CB-CD1 3.98Å; N121-L128 HydrophobicContact CB-CD2 3.42Å; N121-L128 VanDerWaalsContact CB-CD2 3.42Å; N121-L128 HydrophobicContact CB-CG 4.33Å
122G83.6Confident90.9Very high56 Ų5652.5 Ų52.558%0.57732%0.317SS*.THydrogen-bonded Turntrans7839.4170.100000116.1A118 Q124A118-G122 PolarHBondContact O-N 2.83Å; G122-Q124 PolarHBondContact O-N 3.14Å
123N86.8Confident90.7Very high62 Ų6255 Ų5533%0.33233%0.333SS..THydrogen-bonded Turntrans56.3-8.4179.2-62.8-11.4000116.6A118 L125 L165A118-N123 PolarHBondContact O-N 3.42Å; A118-N123 VanDerWaalsContact O-N 3.12Å; N123-L125 PolarHBondContact O-N 3.29Å; N123-L125 VanDerWaalsContact O-N 3.13Å; N123-L165 HydrophobicContact CB-CD2 4.02Å; N123-L165 WeakPolarHBondContact O-CD2 3.17Å
124Q88.2Confident90.5Very high136 Ų13653.7 Ų53.764%0.63633%0.326SS*.  trans-83.686175-69-108.6-28.400108.7G122 I162G122-Q124 PolarHBondContact O-N 3.14Å; Q124-I162 HydrophobicContact CG-CD1 4.23Å
125L90.3Very high90.2Very high1 Ų158.6 Ų58.61%0.00535%0.347CS..  trans-93.4-0.8-174.8-65.3-168.7000114.3V114 V117 A118 N123 N127 L128 I158 S159 V160 L165V114-L125 HydrophobicContact CG1-CD1 3.62Å; V117-L125 HydrophobicContact CG1-CD2 3.94Å; A118-L125 HydrophobicContact CB-CD1 4.18Å; A118-L125 HydrophobicContact CB-CD2 4.37Å; A118-L125 HydrophobicContact CB-CG 4.45Å; N123-L125 PolarHBondContact O-N 3.29Å; N123-L125 VanDerWaalsContact O-N 3.13Å; L125-N127 PolarHBondContact O-N 2.93Å; L125-L128 HydrophobicContact CD2-CD2 3.51Å; L125-L128 PolarHBondContact O-N 3.32Å; L125-I158 HydrophobicContact CB-CG2 4.45Å; L125-I158 HydrophobicContact CD2-CG2 4.39Å; L125-I158 CarbonylContact O-C 3.51Å; L125-S159 VanDerWaalsContact O-CA 3.28Å; L125-S159 WeakPolarHBondContact O-CA 3.38Å; L125-V160 HydrophobicContact CB-CB 4.18Å; L125-V160 HydrophobicContact CD1-CB 4.08Å; L125-V160 HydrophobicContact CD1-CG2 3.96Å; L125-L165 HydrophobicContact CD1-CD1 4.23Å; L125-L165 HydrophobicContact CD1-CD2 3.7Å; L125-L165 HydrophobicContact CG-CD2 3.78Å
126N90.7Very high89.6Confident119 Ų11955.7 Ų55.764%0.63634%0.336SS*.THydrogen-bonded Turntrans-67115.3-173.1-170.120.7000112.6L128N126-L128 PolarHBondContact O-N 3.3Å; N126-L128 VanDerWaalsContact O-N 3.13Å
127N90.2Very high88.9Confident97 Ų9753.4 Ų53.452%0.51932%0.32SS..THydrogen-bonded Turntrans5226.9-175.3-66.5-28.2000113.7L125 A129 I158 S159L125-N127 PolarHBondContact O-N 2.93Å; N127-A129 PolarHBondContact O-N 3.45Å; N127-I158 CarbonylContact C-O 3.57Å; N127-I158 VanDerWaalsContact CA-O 3.29Å; N127-I158 WeakPolarHBondContact CA-O 3.27Å; N127-I158 PolarHBondContact N-O 3.26Å; N127-I158 VanDerWaalsContact N-O 3.12Å; N127-S159 VanDerWaalsContact CA-OG 3.31Å; N127-S159 WeakPolarHBondContact CA-OG 3.49Å; N127-S159 PolarHBondContact N-OG 3.14Å; N127-S159 PolarHBondContact OD1-OG 3.34Å
128L93.9Very high88Confident34 Ų3455.8 Ų55.818%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-66.2116.2-179176.576.1000109.7V117 N121 L125 N126 S157 I158V117-L128 HydrophobicContact CG1-CD2 3.7Å; N121-L128 HydrophobicContact CB-CD1 3.98Å; N121-L128 HydrophobicContact CB-CD2 3.42Å; N121-L128 VanDerWaalsContact CB-CD2 3.42Å; N121-L128 HydrophobicContact CB-CG 4.33Å; L125-L128 HydrophobicContact CD2-CD2 3.51Å; L125-L128 PolarHBondContact O-N 3.32Å; N126-L128 PolarHBondContact O-N 3.3Å; N126-L128 VanDerWaalsContact O-N 3.13Å; L128-S157 CarbonylContact O-C 3.6Å; L128-S157 WeakPolarHBondContact O-CA 3.28Å; L128-I158 HydrophobicContact CB-CG2 4.13Å; L128-I158 HydrophobicContact CD2-CG2 4.31Å; L128-I158 PolarHBondContact N-O 3.12Å; L128-I158 PolarHBondContact O-N 2.75Å
129A93Very high87.1Confident63 Ų6362.1 Ų62.152%0.52136%0.359SS..EExtended strand (participates in β ladder)trans-82.6135.9174.300000111.2N127 L156N127-A129 PolarHBondContact O-N 3.45Å; A129-L156 CarbonylContact C-O 3.54Å; A129-L156 VanDerWaalsContact CA-O 3.31Å; A129-L156 WeakPolarHBondContact CA-O 3.39Å
130F92.6Very high86.2Confident26 Ų2659.4 Ų59.411%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-153.5154.917668-72.3000110.2L15 F112 V117 Q132 L156 I158L15-F130 HydrophobicContact CD1-CE1 4.48Å; L15-F130 HydrophobicContact CD1-CZ 4.38Å; F112-F130 HydrophobicContact CD1-CE2 4.4Å; F112-F130 HydrophobicContact CD2-CE2 4.27Å; F112-F130 HydrophobicContact CD2-CZ 4.17Å; F112-F130 HydrophobicContact CE1-CZ 4.35Å; F112-F130 HydrophobicContact CE2-CE2 4.39Å; F112-F130 AromaticContact CE2-CZ 3.86Å; F112-F130 HydrophobicContact CE2-CZ 3.86Å; F112-F130 HydrophobicContact CG-CE2 4.27Å; F112-F130 AromaticContact CZ-CZ 3.96Å; F112-F130 HydrophobicContact CZ-CZ 3.96Å; V117-F130 HydrophobicContact CG1-CD1 4.28Å; V117-F130 HydrophobicContact CG1-CE1 4.37Å; V117-F130 HydrophobicContact CG1-CG 4.42Å; V117-F130 HydrophobicContact CG2-CD2 4.32Å; V117-F130 HydrophobicContact CG2-CE2 3.84Å; V117-F130 HydrophobicContact CG2-CZ 4.03Å; F130-Q132 HydrophobicContact CD2-CG 3.92Å; F130-Q132 HydrophobicContact CE2-CG 3.54Å; F130-L156 HydrophobicContact CD1-CB 4.31Å; F130-L156 HydrophobicContact CE1-CB 3.81Å; F130-L156 HydrophobicContact CE2-CB 4.45Å; F130-L156 HydrophobicContact CE2-CD1 4.04Å; F130-L156 HydrophobicContact CZ-CB 3.91Å; F130-L156 HydrophobicContact CZ-CD1 3.87Å; F130-L156 PolarHBondContact N-O 2.65Å; F130-L156 PolarHBondContact O-N 2.86Å; F130-L156 VanDerWaalsContact O-O 3.07Å; F130-I158 HydrophobicContact CD1-CG2 4.16Å; F130-I158 HydrophobicContact CE1-CB 3.8Å; F130-I158 HydrophobicContact CE1-CG2 3.71Å
131S92.2Very high85.2Confident69 Ų6958.8 Ų58.848%0.48332%0.32SS..EExtended strand (participates in β ladder)trans-107.4137.7177.2-52.50000110.6I154 D155S131-I154 CarbonylContact C-O 3.5Å; S131-I154 VanDerWaalsContact CA-O 3.24Å; S131-I154 WeakPolarHBondContact CA-O 3.32Å; S131-D155 PolarHBondContact OG-OD1 2.78Å
132Q90.5Very high84Confident35 Ų3558.8 Ų58.816%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-111.7135.2174.2-75-66.6-34.500110.4F92 F112 F130 S153 I154 L156F92-Q132 HydrophobicContact CE1-CB 3.66Å; F92-Q132 HydrophobicContact CE1-CG 4.23Å; F92-Q132 HydrophobicContact CZ-CB 3.79Å; F112-Q132 HydrophobicContact CD1-CG 3.96Å; F112-Q132 HydrophobicContact CG-CG 4.48Å; F130-Q132 HydrophobicContact CD2-CG 3.92Å; F130-Q132 HydrophobicContact CE2-CG 3.54Å; Q132-S153 CarbonylContact O-C 3.57Å; Q132-S153 WeakPolarHBondContact O-CA 3.22Å; Q132-I154 HydrophobicContact CB-CG2 4.05Å; Q132-I154 PolarHBondContact N-O 2.92Å; Q132-I154 PolarHBondContact O-N 2.47Å; Q132-L156 HydrophobicContact CB-CD1 4.31Å; Q132-L156 HydrophobicContact CG-CD1 3.95Å
133P90.3Very high82.6Confident60 Ų6062.4 Ų62.439%0.3934%0.336SS..EExtended strand (participates in β ladder)trans-67.9137.5176.228.4-33.4000110.5
134I88.9Confident81.3Confident1 Ų163.6 Ų63.61%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-88.2115.6171.3-52.7174.9000106.8A20 F22 F92 L94 S150 L151 G152 I154A20-I134 HydrophobicContact CB-CD1 4.18Å; F22-I134 HydrophobicContact CD1-CD1 4.28Å; F22-I134 HydrophobicContact CE1-CD1 3.62Å; F22-I134 HydrophobicContact CZ-CD1 4.31Å; F92-I134 HydrophobicContact CE2-CG1 4.32Å; L94-I134 HydrophobicContact CD2-CD1 4.47Å; I134-S150 PolarHBondContact O-OG 3.2Å; I134-L151 HydrophobicContact CB-CB 4.19Å; I134-L151 HydrophobicContact CG2-CB 4.01Å; I134-L151 HydrophobicContact CG2-CD1 4.21Å; I134-L151 PolarHBondContact O-N 2.86Å; I134-G152 PolarHBondContact N-O 2.92Å; I134-I154 HydrophobicContact CD1-CB 4.27Å; I134-I154 HydrophobicContact CG1-CB 4.3Å
135K86.7Confident79.9Confident102 Ų10257.3 Ų57.344%0.44332%0.316SS..EExtended strand (participates in β ladder)trans-95.3143.6175.9-65.3-178-178.5179.50110.1G108 Y109G108-K135 CarbonylContact C-O 3.41Å; G108-K135 WeakPolarHBondContact CA-O 3.34Å; Y109-K135 HydrophobicContact CD1-CB 4.13Å; Y109-K135 WeakPolarHBondContact CD1-O 3.33Å; Y109-K135 HydrophobicContact CE1-CB 3.74Å; Y109-K135 PolarHBondContact N-O 2.84Å; Y109-K135 PolarHBondContact O-N 2.88Å
136P81.8Confident78.5Confident0 Ų060 Ų600%034%0.335CS..EExtended strand (participates in β ladder)trans-64.6142.7172.225.5-31.5000110.3Y141 I145 S149 L151P136-Y141 HydrophobicContact CB-CE1 4.43Å; P136-Y141 HydrophobicContact CG-CE1 4.1Å; P136-I145 HydrophobicContact CB-CG2 3.53Å; P136-I145 HydrophobicContact CG-CG2 3.53Å; P136-S149 WeakPolarHBondContact CD-O 3.29Å; P136-S149 WeakPolarHBondContact CG-O 3.31Å; P136-L151 HydrophobicContact CB-CD1 4.16Å; P136-L151 HydrophobicContact CB-CD2 4.38Å; P136-L151 HydrophobicContact CB-CG 4.22Å
137L77.1Confident77Confident0 Ų058.1 Ų58.10%033%0.331CS..PPolyproline II helixtrans-69.6149.6174.4-75.6157.3000110.9I55 E106 Y109 W139 L140I55-L137 HydrophobicContact CD1-CD2 4.29Å; I55-L137 HydrophobicContact CG2-CD2 3.98Å; E106-L137 HydrophobicContact CB-CD1 3.32Å; E106-L137 WeakPolarHBondContact O-CD1 3.49Å; Y109-L137 HydrophobicContact CD1-CD2 3.74Å; Y109-L137 HydrophobicContact CD1-CG 4.13Å; Y109-L137 HydrophobicContact CE1-CD2 4.5Å; Y109-L137 HydrophobicContact CG-CD2 4.08Å; L137-W139 HydrophobicContact CB-CD2 4.11Å; L137-W139 HydrophobicContact CB-CH2 4.38Å; L137-W139 HydrophobicContact CB-CZ2 3.9Å; L137-W139 HydrophobicContact CD1-CH2 4.33Å; L137-W139 HydrophobicContact CD1-CZ2 3.56Å; L137-W139 HydrophobicContact CD2-CH2 3.75Å; L137-W139 HydrophobicContact CD2-CZ2 3.83Å; L137-W139 HydrophobicContact CD2-CZ3 4.37Å; L137-W139 HydrophobicContact CG-CH2 4.37Å; L137-W139 HydrophobicContact CG-CZ2 3.96Å; L137-W139 PolarHBondContact O-N 3.37Å; L137-W139 VanDerWaalsContact O-N 3.12Å; L137-L140 HydrophobicContact CB-CD1 4.06Å; L137-L140 HydrophobicContact CB-CG 4.44Å; L137-L140 WeakPolarHBondContact O-CB 3.32Å; L137-L140 PolarHBondContact O-N 2.87Å
138P75Confident75.4Confident53 Ų5358.5 Ų58.534%0.34434%0.341SS..G310 helixtrans-59.1-30.5-172.5-25.933.2000115.8I55 L140 Y141I55-P138 HydrophobicContact CD1-CG 3.55Å; P138-L140 VanDerWaalsContact C-N 3.27Å; P138-L140 PolarHBondContact O-N 3.45Å; P138-Y141 HydrophobicContact CB-CD2 4.36Å; P138-Y141 HydrophobicContact CB-CE2 3.78Å; P138-Y141 WeakPolarHBondContact O-CD2 3.27Å; P138-Y141 VanDerWaalsContact O-CG 3.24Å; P138-Y141 PolarHBondContact O-N 3.27Å
139W73.4Confident74.1Confident134 Ų13458.4 Ų58.451%0.50834%0.344SS..G310 helixtrans-79.7-6.2178.352.282.4000113.9I55 L137I55-W139 HydrophobicContact CG2-CH2 4.24Å; I55-W139 HydrophobicContact CG2-CZ3 4.36Å; L137-W139 HydrophobicContact CB-CD2 4.11Å; L137-W139 HydrophobicContact CB-CH2 4.38Å; L137-W139 HydrophobicContact CB-CZ2 3.9Å; L137-W139 HydrophobicContact CD1-CH2 4.33Å; L137-W139 HydrophobicContact CD1-CZ2 3.56Å; L137-W139 HydrophobicContact CD2-CH2 3.75Å; L137-W139 HydrophobicContact CD2-CZ2 3.83Å; L137-W139 HydrophobicContact CD2-CZ3 4.37Å; L137-W139 HydrophobicContact CG-CH2 4.37Å; L137-W139 HydrophobicContact CG-CZ2 3.96Å; L137-W139 PolarHBondContact O-N 3.37Å; L137-W139 VanDerWaalsContact O-N 3.12Å
140L69.6Low73.3Confident23 Ų2357.9 Ų57.912%0.1234%0.336CS..G310 helixtrans-94.1-2.2174.5-64.2169000112.8L31 E106 V107 L137 P138 N142L31-L140 HydrophobicContact CD2-CB 4.12Å; L31-L140 HydrophobicContact CD2-CD1 3.95Å; L31-L140 HydrophobicContact CD2-CD2 4.39Å; L31-L140 HydrophobicContact CD2-CG 4.39Å; E106-L140 WeakPolarHBondContact O-CD1 3.28Å; V107-L140 VanDerWaalsContact CA-CD1 3.48Å; V107-L140 HydrophobicContact CB-CD1 4.44Å; V107-L140 WeakPolarHBondContact O-CD1 3.37Å; L137-L140 HydrophobicContact CB-CD1 4.06Å; L137-L140 HydrophobicContact CB-CG 4.44Å; L137-L140 WeakPolarHBondContact O-CB 3.32Å; L137-L140 PolarHBondContact O-N 2.87Å; P138-L140 VanDerWaalsContact C-N 3.27Å; P138-L140 PolarHBondContact O-N 3.45Å; L140-N142 PolarHBondContact O-N 3.18Å; L140-N142 VanDerWaalsContact O-N 3.13Å
141Y67.1Low72.7Confident98 Ų9856.6 Ų56.638%0.38433%0.331SS..  trans-59120.3174.4-60.5-28000109.6P136 P138 S147P136-Y141 HydrophobicContact CB-CE1 4.43Å; P136-Y141 HydrophobicContact CG-CE1 4.1Å; P138-Y141 HydrophobicContact CB-CD2 4.36Å; P138-Y141 HydrophobicContact CB-CE2 3.78Å; P138-Y141 WeakPolarHBondContact O-CD2 3.27Å; P138-Y141 VanDerWaalsContact O-CG 3.24Å; P138-Y141 PolarHBondContact O-N 3.27Å; Y141-S147 VanDerWaalsContact CE1-CA 3.46Å; Y141-S147 VanDerWaalsContact CZ-CB 3.5Å; Y141-S147 WeakPolarHBondContact OH-CB 3.33Å
142N63.3Low72.5Confident65 Ų6554 Ų5435%0.34832%0.315SS..BIsolated β-bridgetrans-139.4179.7174.460.519.5000108.1L140 T144 I145L140-N142 PolarHBondContact O-N 3.18Å; L140-N142 VanDerWaalsContact O-N 3.13Å; N142-T144 PolarHBondContact O-N 2.79Å; N142-T144 PolarHBondContact OD1-N 3.49Å; N142-T144 PolarHBondContact OD1-OG1 2.9Å; N142-I145 PolarHBondContact O-N 3.11Å; N142-I145 PolarHBondContact OD1-N 3.31Å; N142-I145 VanDerWaalsContact OD1-N 3.12Å
143S54.1Low72.5Confident132 Ų13254 Ų5492%0.92332%0.318SS*.THydrogen-bonded Turntrans-54.7-21.1-178.645.20000114.5
144T58.8Low72.4Confident88 Ų8851.2 Ų51.254%0.5430%0.3SS..THydrogen-bonded Turntrans-95.7-17.8179.529.40000114.4N142N142-T144 PolarHBondContact O-N 2.79Å; N142-T144 PolarHBondContact OD1-N 3.49Å; N142-T144 PolarHBondContact OD1-OG1 2.9Å
145I58.8Low72.6Confident4 Ų453.2 Ų53.22%0.02131%0.311CS..BIsolated β-bridgetrans-129.6103.7-170.1-61.7174.9000109.4L26 L31 P136 N142L26-I145 HydrophobicContact CD2-CD1 4.17Å; L26-I145 HydrophobicContact CD2-CG1 4.13Å; L31-I145 HydrophobicContact CD1-CD1 3.31Å; L31-I145 HydrophobicContact CD2-CD1 3.52Å; L31-I145 HydrophobicContact CG-CD1 3.15Å; P136-I145 HydrophobicContact CB-CG2 3.53Å; P136-I145 HydrophobicContact CG-CG2 3.53Å; N142-I145 PolarHBondContact O-N 3.11Å; N142-I145 PolarHBondContact OD1-N 3.31Å; N142-I145 VanDerWaalsContact OD1-N 3.12Å
146S61.3Low72.9Confident57 Ų5748.4 Ų48.440%0.39929%0.29SS..  trans-78157.6170.570.90000110.7S148 S149S146-S148 PolarHBondContact O-N 2.94Å; S146-S148 VanDerWaalsContact O-N 3.09Å; S146-S148 PolarHBondContact OG-N 3.05Å; S146-S148 PolarHBondContact OG-OG 2.99Å; S146-S149 PolarHBondContact N-OG 2.85Å; S146-S149 PolarHBondContact O-N 3.46Å; S146-S149 VanDerWaalsContact O-N 3.08Å; S146-S149 PolarHBondContact O-OG 3.45Å; S146-S149 PolarHBondContact OG-N 3.45Å; S146-S149 VanDerWaalsContact OG-N 3.09Å; S146-S149 PolarHBondContact OG-OG 2.84Å
147S58.6Low73.4Confident79 Ų7948.7 Ų48.755%0.55229%0.292SS*.THydrogen-bonded Turntrans-58.4-19.8169.257.50000113.6Y141Y141-S147 VanDerWaalsContact CE1-CA 3.46Å; Y141-S147 VanDerWaalsContact CZ-CB 3.5Å; Y141-S147 WeakPolarHBondContact OH-CB 3.33Å
148S56.7Low74.2Confident105 Ų10548.7 Ų48.773%0.73429%0.292SS*.THydrogen-bonded Turntrans-88.3-15.3176.743.40000114.9S146 S150S146-S148 PolarHBondContact O-N 2.94Å; S146-S148 VanDerWaalsContact O-N 3.09Å; S146-S148 PolarHBondContact OG-N 3.05Å; S146-S148 PolarHBondContact OG-OG 2.99Å; S148-S150 PolarHBondContact O-N 3.4Å
149S66.3Low75.2Confident33 Ų3346.7 Ų46.723%0.23128%0.28CS..  trans-74126.9178.328.10000110.4P136 S146P136-S149 WeakPolarHBondContact CD-O 3.29Å; P136-S149 WeakPolarHBondContact CG-O 3.31Å; S146-S149 PolarHBondContact N-OG 2.85Å; S146-S149 PolarHBondContact O-N 3.46Å; S146-S149 VanDerWaalsContact O-N 3.08Å; S146-S149 PolarHBondContact O-OG 3.45Å; S146-S149 PolarHBondContact OG-N 3.45Å; S146-S149 VanDerWaalsContact OG-N 3.09Å; S146-S149 PolarHBondContact OG-OG 2.84Å
150S75.6Confident76.2Confident51 Ų5140.5 Ų40.536%0.35726%0.257SS..  trans-79.9136.1169178.30000109.3I134 S148 G152I134-S150 PolarHBondContact O-OG 3.2Å; S148-S150 PolarHBondContact O-N 3.4Å; S150-G152 PolarHBondContact O-N 3.07Å; S150-G152 PolarHBondContact OG-N 3.02Å; S150-G152 VanDerWaalsContact OG-N 3.16Å; S150-G152 PolarHBondContact OG-O 3.33Å
151L81.7Confident77.2Confident0 Ų041.9 Ų41.90%027%0.271CS..  trans-74.7-7.5170.8-64.8178.1000112.7F22 D23 L26 W28 L31 V107 I134 P136F22-L151 VanDerWaalsContact CA-O 3.31Å; F22-L151 WeakPolarHBondContact CA-O 3.43Å; D23-L151 PolarHBondContact N-O 3.12Å; L26-L151 HydrophobicContact CD1-CB 4.29Å; L26-L151 HydrophobicContact CD1-CD2 3.72Å; L26-L151 HydrophobicContact CD2-CD2 3.79Å; L26-L151 HydrophobicContact CG-CD2 4.4Å; W28-L151 HydrophobicContact CH2-CB 4.41Å; W28-L151 HydrophobicContact CH2-CD1 4.42Å; W28-L151 HydrophobicContact CZ2-CB 4.38Å; L31-L151 HydrophobicContact CD1-CD2 3.69Å; V107-L151 WeakPolarHBondContact O-CD1 3.21Å; I134-L151 HydrophobicContact CB-CB 4.19Å; I134-L151 HydrophobicContact CG2-CB 4.01Å; I134-L151 HydrophobicContact CG2-CD1 4.21Å; I134-L151 PolarHBondContact O-N 2.86Å; P136-L151 HydrophobicContact CB-CD1 4.16Å; P136-L151 HydrophobicContact CB-CD2 4.38Å; P136-L151 HydrophobicContact CB-CG 4.22Å
152G87.1Confident78.2Confident14 Ų1441 Ų4114%0.14427%0.272CS..EExtended strand (participates in β ladder)trans128.6-156.5-169.900000111.5H21 I134 S150H21-G152 CarbonylContact O-C 3.57Å; H21-G152 WeakPolarHBondContact O-CA 3.08Å; I134-G152 PolarHBondContact N-O 2.92Å; S150-G152 PolarHBondContact O-N 3.07Å; S150-G152 PolarHBondContact OG-N 3.02Å; S150-G152 VanDerWaalsContact OG-N 3.16Å; S150-G152 PolarHBondContact OG-O 3.33Å
153S90.1Very high79.2Confident35 Ų3543.4 Ų43.425%0.24528%0.276CS..EExtended strand (participates in β ladder)trans-132.2158-177.861.50000112.1A20 H21 Q132A20-S153 CarbonylContact C-O 3.41Å; A20-S153 WeakPolarHBondContact CA-O 3.36Å; H21-S153 PolarHBondContact N-O 3.21Å; H21-S153 PolarHBondContact O-N 3.42Å; Q132-S153 CarbonylContact O-C 3.57Å; Q132-S153 WeakPolarHBondContact O-CA 3.22Å
154I89.3Confident80.8Confident1 Ų140.8 Ų40.81%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-119129.8168.2-163.5170.8000109.9V17 R19 A20 F43 F92 S131 Q132 I134 L156V17-I154 HydrophobicContact CG1-CD1 3.61Å; V17-I154 HydrophobicContact CG1-CG1 4.34Å; R19-I154 WeakPolarHBondContact O-CA 3.47Å; A20-I154 HydrophobicContact CB-CG1 4.25Å; F43-I154 HydrophobicContact CD2-CD1 3.47Å; F43-I154 VanDerWaalsContact CD2-CD1 3.47Å; F43-I154 HydrophobicContact CE2-CD1 3.47Å; F43-I154 VanDerWaalsContact CE2-CD1 3.47Å; F92-I154 HydrophobicContact CD2-CG2 4.4Å; F92-I154 HydrophobicContact CE1-CG2 3.92Å; F92-I154 HydrophobicContact CE2-CG2 3.6Å; F92-I154 HydrophobicContact CZ-CG2 3.3Å; S131-I154 CarbonylContact C-O 3.5Å; S131-I154 VanDerWaalsContact CA-O 3.24Å; S131-I154 WeakPolarHBondContact CA-O 3.32Å; Q132-I154 HydrophobicContact CB-CG2 4.05Å; Q132-I154 PolarHBondContact N-O 2.92Å; Q132-I154 PolarHBondContact O-N 2.47Å; I134-I154 HydrophobicContact CD1-CB 4.27Å; I134-I154 HydrophobicContact CG1-CB 4.3Å; I154-L156 HydrophobicContact CD1-CD2 4.28Å; I154-L156 HydrophobicContact CG1-CD2 4.21Å; I154-L156 HydrophobicContact CG2-CD1 4.27Å; I154-L156 HydrophobicContact CG2-CD2 4.22Å; I154-L156 HydrophobicContact CG2-CG 4.13Å
155D92.2Very high82.4Confident43 Ų4336.6 Ų36.623%0.2322%0.224CC..EExtended strand (participates in β ladder)trans-85.2124.8175.3-62.6-23.2000109.1K18 R19 H21 S131K18-D155 HydrophobicContact CB-CB 4.2Å; K18-D155 WeakPolarHBondContact CB-O 3.48Å; K18-D155 PolarHBondContact N-O 3.41Å; R19-D155 PolarHBondContact N-O 3.5Å; R19-D155 PolarHBondContact O-N 3.45Å; H21-D155 IonicContact CD2-OD1 3.93Å; H21-D155 IonicContact CD2-OD2 3.42Å; H21-D155 PolarHBondContact CD2-OD2 3.41Å; H21-D155 IonicContact CE1-OD2 3.11Å; H21-D155 IonicContact NE2-OD1 2.88Å; H21-D155 IonicContact NE2-OD2 3.74Å; H21-D155 PolarHBondContact NE2-OD2 2.85Å; S131-D155 PolarHBondContact OG-OD1 2.78Å
156L92.4Very high83.8Confident1 Ų138.6 Ų38.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-123.2158-179.9-56.2174.4000108.9L15 V16 V17 F92 F112 A129 F130 Q132 I154L15-L156 HydrophobicContact CD1-CB 4.15Å; L15-L156 HydrophobicContact CD1-CD1 4.35Å; V16-L156 CarbonylContact O-C 3.51Å; V16-L156 VanDerWaalsContact O-CA 3.27Å; V16-L156 WeakPolarHBondContact O-CA 3.23Å; V17-L156 HydrophobicContact CB-CD2 4.23Å; V17-L156 HydrophobicContact CG1-CD2 4.11Å; V17-L156 HydrophobicContact CG2-CD2 4.04Å; F92-L156 HydrophobicContact CE1-CD1 4.45Å; F112-L156 HydrophobicContact CD1-CD1 4.47Å; F112-L156 HydrophobicContact CE1-CD1 3.77Å; F112-L156 HydrophobicContact CZ-CD1 4.26Å; A129-L156 CarbonylContact C-O 3.54Å; A129-L156 VanDerWaalsContact CA-O 3.31Å; A129-L156 WeakPolarHBondContact CA-O 3.39Å; F130-L156 HydrophobicContact CD1-CB 4.31Å; F130-L156 HydrophobicContact CE1-CB 3.81Å; F130-L156 HydrophobicContact CE2-CB 4.45Å; F130-L156 HydrophobicContact CE2-CD1 4.04Å; F130-L156 HydrophobicContact CZ-CB 3.91Å; F130-L156 HydrophobicContact CZ-CD1 3.87Å; F130-L156 PolarHBondContact N-O 2.65Å; F130-L156 PolarHBondContact O-N 2.86Å; F130-L156 VanDerWaalsContact O-O 3.07Å; Q132-L156 HydrophobicContact CB-CD1 4.31Å; Q132-L156 HydrophobicContact CG-CD1 3.95Å; I154-L156 HydrophobicContact CD1-CD2 4.28Å; I154-L156 HydrophobicContact CG1-CD2 4.21Å; I154-L156 HydrophobicContact CG2-CD1 4.27Å; I154-L156 HydrophobicContact CG2-CD2 4.22Å; I154-L156 HydrophobicContact CG2-CG 4.13Å
157S92.9Very high84.9Confident6 Ų639.2 Ų39.24%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-128.8134155.2610000110.6L15 V16 K18 L128L15-S157 CarbonylContact C-O 3.55Å; L15-S157 WeakPolarHBondContact CA-O 3.4Å; V16-S157 VanDerWaalsContact CB-OG 3.31Å; V16-S157 WeakPolarHBondContact CB-OG 3.49Å; V16-S157 WeakPolarHBondContact CG2-OG 3.31Å; V16-S157 PolarHBondContact N-O 2.88Å; V16-S157 PolarHBondContact O-N 3.29Å; K18-S157 WeakPolarHBondContact CE-OG 3.42Å; L128-S157 CarbonylContact O-C 3.6Å; L128-S157 WeakPolarHBondContact O-CA 3.28Å
158I94.6Very high86.3Confident0 Ų035.5 Ų35.50%022%0.217CC..EExtended strand (participates in β ladder)trans-104.7151.2176.3-168.9165.7000108.9V13 K14 L15 F112 V114 V117 L125 N127 L128 F130 V160V13-I158 HydrophobicContact CG1-CD1 3.66Å; V13-I158 HydrophobicContact CG1-CG1 3.69Å; K14-I158 CarbonylContact O-C 3.59Å; K14-I158 VanDerWaalsContact O-CA 3.3Å; K14-I158 WeakPolarHBondContact O-CA 3.31Å; L15-I158 HydrophobicContact CD1-CB 4.31Å; F112-I158 HydrophobicContact CE2-CD1 4.33Å; V114-I158 HydrophobicContact CG2-CD1 4.4Å; V117-I158 HydrophobicContact CG1-CG2 4Å; L125-I158 HydrophobicContact CB-CG2 4.45Å; L125-I158 HydrophobicContact CD2-CG2 4.39Å; L125-I158 CarbonylContact O-C 3.51Å; N127-I158 CarbonylContact C-O 3.57Å; N127-I158 VanDerWaalsContact CA-O 3.29Å; N127-I158 WeakPolarHBondContact CA-O 3.27Å; N127-I158 PolarHBondContact N-O 3.26Å; N127-I158 VanDerWaalsContact N-O 3.12Å; L128-I158 HydrophobicContact CB-CG2 4.13Å; L128-I158 HydrophobicContact CD2-CG2 4.31Å; L128-I158 PolarHBondContact N-O 3.12Å; L128-I158 PolarHBondContact O-N 2.75Å; F130-I158 HydrophobicContact CD1-CG2 4.16Å; F130-I158 HydrophobicContact CE1-CB 3.8Å; F130-I158 HydrophobicContact CE1-CG2 3.71Å; I158-V160 HydrophobicContact CD1-CG2 4.21Å; I158-V160 HydrophobicContact CG1-CG2 4.11Å
159S95.8Very high87.8Confident12 Ų1231.7 Ų31.78%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-136.2125.8164.2-45.90000108.5K14 L125 N127K14-S159 PolarHBondContact N-O 3.06Å; K14-S159 PolarHBondContact O-N 2.83Å; L125-S159 VanDerWaalsContact O-CA 3.28Å; L125-S159 WeakPolarHBondContact O-CA 3.38Å; N127-S159 VanDerWaalsContact CA-OG 3.31Å; N127-S159 WeakPolarHBondContact CA-OG 3.49Å; N127-S159 PolarHBondContact N-OG 3.14Å; N127-S159 PolarHBondContact OD1-OG 3.34Å
160V93.7Very high88.7Confident4 Ų435.1 Ų35.12%0.02420%0.203CC..  trans-134.5133.3170.6-176.80000106.4V11 V13 V114 L125 I158 I162 L165V11-V160 HydrophobicContact CB-CG1 3.71Å; V11-V160 HydrophobicContact CG1-CG1 4.17Å; V11-V160 HydrophobicContact CG2-CG1 3.94Å; V11-V160 HydrophobicContact CG2-CG2 4.48Å; V13-V160 HydrophobicContact CB-CG2 4.47Å; V13-V160 HydrophobicContact CG1-CG2 4.4Å; V13-V160 HydrophobicContact CG2-CG2 4.08Å; V114-V160 HydrophobicContact CG1-CG2 4.01Å; L125-V160 HydrophobicContact CB-CB 4.18Å; L125-V160 HydrophobicContact CD1-CB 4.08Å; L125-V160 HydrophobicContact CD1-CG2 3.96Å; I158-V160 HydrophobicContact CD1-CG2 4.21Å; I158-V160 HydrophobicContact CG1-CG2 4.11Å; V160-I162 PolarHBondContact O-N 3.35Å; V160-L165 HydrophobicContact CG1-CB 3.97Å
161A90.1Very high89Confident52 Ų5233.7 Ų33.743%0.4319%0.194SC..  trans-60.5128.8177.200000109.7R163 E164 L165A161-R163 PolarHBondContact O-N 3.07Å; A161-R163 VanDerWaalsContact O-N 3.07Å; A161-E164 HydrophobicContact CB-CB 4.32Å; A161-E164 HydrophobicContact CB-CG 4.1Å; A161-E164 PolarHBondContact O-N 3.45Å; A161-L165 PolarHBondContact O-N 2.86Å
162I88.5Confident88.9Confident78 Ų7835 Ų3540%0.420%0.2SC..Hα-helixtrans-57.8-29.8-174.9-167.2165.8000112.6Q124 V160 S166Q124-I162 HydrophobicContact CG-CD1 4.23Å; V160-I162 PolarHBondContact O-N 3.35Å; I162-S166 VanDerWaalsContact O-CB 3.25Å; I162-S166 WeakPolarHBondContact O-CB 3.17Å; I162-S166 PolarHBondContact O-N 2.76Å; I162-S166 PolarHBondContact O-OG 2.9Å
163R84.4Confident88.5Confident116 Ų11640 Ų4044%0.43822%0.22SC..Hα-helixtrans-68.2-50.4175.3-68.2-172174.7163.17.8112.4A161 L165 S166 S167 E677A161-R163 PolarHBondContact O-N 3.07Å; A161-R163 VanDerWaalsContact O-N 3.07Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-L165 PolarHBondContact O-N 2.89Å; R163-S166 PolarHBondContact O-N 3.18Å; R163-S167 WeakPolarHBondContact O-CB 3.36Å; R163-S167 PolarHBondContact O-N 3.47Å; R163-E677 IonicContact CZ-OE1 2.88Å; R163-E677 IonicContact CZ-OE2 3.05Å; R163-E677 IonicContact NH1-OE1 3.17Å; R163-E677 PolarHBondContact NH1-OE1 3.41Å; R163-E677 IonicContact NH2-OE1 3.46Å; R163-E677 PolarHBondContact NH2-OE1 3.43Å; R163-E677 IonicContact NH2-OE2 3.05Å; R163-E677 PolarHBondContact NH2-OE2 2.84Å
164E88.8Confident87.8Confident77 Ų7743.1 Ų43.136%0.3623%0.233SC..Hα-helixtrans-59.3-46176-68.1-174.1-17400110.5V11 Q12 A161 S166 S167 A168V11-E164 HydrophobicContact CB-CB 4.45Å; V11-E164 HydrophobicContact CG1-CB 4.14Å; Q12-E164 WeakPolarHBondContact CB-OE2 3.08Å; Q12-E164 PolarHBondContact N-OE2 2.57Å; A161-E164 HydrophobicContact CB-CB 4.32Å; A161-E164 HydrophobicContact CB-CG 4.1Å; A161-E164 PolarHBondContact O-N 3.45Å; E164-S166 PolarHBondContact O-N 2.92Å; E164-S167 PolarHBondContact O-N 2.68Å; E164-A168 WeakPolarHBondContact O-CB 3.47Å; E164-A168 PolarHBondContact O-N 3.01Å
165L90.6Very high87.1Confident0 Ų045.9 Ų45.90%025%0.253CS..Hα-helixtrans-61-46.3177.8-175.766.7000112V86 V114 A118 N123 L125 V160 A161 R163 A168 L169V86-L165 HydrophobicContact CG1-CD1 4.01Å; V114-L165 HydrophobicContact CG1-CD1 3.69Å; A118-L165 HydrophobicContact CB-CD1 4.33Å; A118-L165 HydrophobicContact CB-CD2 3.94Å; N123-L165 HydrophobicContact CB-CD2 4.02Å; N123-L165 WeakPolarHBondContact O-CD2 3.17Å; L125-L165 HydrophobicContact CD1-CD1 4.23Å; L125-L165 HydrophobicContact CD1-CD2 3.7Å; L125-L165 HydrophobicContact CG-CD2 3.78Å; V160-L165 HydrophobicContact CG1-CB 3.97Å; A161-L165 PolarHBondContact O-N 2.86Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-L165 PolarHBondContact O-N 2.89Å; L165-A168 PolarHBondContact O-N 2.76Å; L165-L169 HydrophobicContact CD1-CD1 4.05Å; L165-L169 HydrophobicContact CD1-CG 4.11Å; L165-L169 HydrophobicContact CD2-CD1 4.43Å; L165-L169 HydrophobicContact CG-CD1 3.81Å; L165-L169 HydrophobicContact CG-CG 4.26Å; L165-L169 VanDerWaalsContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CB 3.47Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 3.46Å
166S88.3Confident86.1Confident47 Ų4748.9 Ų48.933%0.32926%0.261SS..Hα-helixtrans-64.3-44.6-179.4-600000111.3I162 R163 E164 L170I162-S166 VanDerWaalsContact O-CB 3.25Å; I162-S166 WeakPolarHBondContact O-CB 3.17Å; I162-S166 PolarHBondContact O-N 2.76Å; I162-S166 PolarHBondContact O-OG 2.9Å; R163-S166 PolarHBondContact O-N 3.18Å; E164-S166 PolarHBondContact O-N 2.92Å; S166-L170 WeakPolarHBondContact O-CB 3.3Å; S166-L170 PolarHBondContact O-N 3.13Å
167S85.8Confident85.1Confident69 Ų6950.5 Ų50.548%0.48327%0.272SS..Hα-helixtrans-59.8-49175.2-1780000111.4R163 E164 L169 L170 A171R163-S167 WeakPolarHBondContact O-CB 3.36Å; R163-S167 PolarHBondContact O-N 3.47Å; E164-S167 PolarHBondContact O-N 2.68Å; S167-L169 PolarHBondContact O-N 2.72Å; S167-L170 WeakPolarHBondContact O-CB 3.42Å; S167-L170 PolarHBondContact O-N 3.41Å; S167-A171 WeakPolarHBondContact O-CB 3.45Å; S167-A171 PolarHBondContact O-N 3.3Å
168A87.7Confident83.8Confident1 Ų155.1 Ų55.11%0.00830%0.295CS..Hα-helixtrans-66.4-39.2-178.400000113.4S9 V11 V86 E164 L165 A171 Q172S9-A168 WeakPolarHBondContact CB-O 3.31Å; V11-A168 HydrophobicContact CG1-CB 3.37Å; V86-A168 HydrophobicContact CG1-CB 3.57Å; E164-A168 WeakPolarHBondContact O-CB 3.47Å; E164-A168 PolarHBondContact O-N 3.01Å; L165-A168 PolarHBondContact O-N 2.76Å; A168-A171 PolarHBondContact O-N 2.88Å; A168-Q172 PolarHBondContact O-N 3.21Å
169L88.3Confident82.5Confident26 Ų2658.1 Ų58.114%0.13632%0.316CS..Hα-helixtrans-64.5-40.5174.2-71.8173.6000111.3V86 R115 L165 S167 H173V86-L169 HydrophobicContact CB-CD2 4.32Å; V86-L169 HydrophobicContact CG1-CD2 4.49Å; V86-L169 HydrophobicContact CG2-CD2 4.27Å; R115-L169 HydrophobicContact CB-CD2 4.35Å; R115-L169 HydrophobicContact CG-CD2 4.1Å; L165-L169 HydrophobicContact CD1-CD1 4.05Å; L165-L169 HydrophobicContact CD1-CG 4.11Å; L165-L169 HydrophobicContact CD2-CD1 4.43Å; L165-L169 HydrophobicContact CG-CD1 3.81Å; L165-L169 HydrophobicContact CG-CG 4.26Å; L165-L169 VanDerWaalsContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CB 3.47Å; L165-L169 WeakPolarHBondContact O-CG 3.3Å; L165-L169 PolarHBondContact O-N 3.46Å; S167-L169 PolarHBondContact O-N 2.72Å; L169-H173 WeakPolarHBondContact O-CB 3.44Å; L169-H173 PolarHBondContact O-N 2.88Å
170L85.9Confident80.9Confident105 Ų10565.7 Ų65.755%0.5534%0.343SS..Hα-helixtrans-65.2-46.1174-91.2156.8000111.9S166 S167 Q172 H173 L174S166-L170 WeakPolarHBondContact O-CB 3.3Å; S166-L170 PolarHBondContact O-N 3.13Å; S167-L170 WeakPolarHBondContact O-CB 3.42Å; S167-L170 PolarHBondContact O-N 3.41Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 3.46Å; L170-H173 WeakPolarHBondContact O-CB 3.27Å; L170-H173 PolarHBondContact O-N 3.29Å; L170-L174 WeakPolarHBondContact O-CG 3.19Å; L170-L174 PolarHBondContact O-N 2.85Å
171A81.3Confident78.8Confident20 Ų2071.3 Ų71.317%0.16537%0.372CS..Hα-helixtrans-57.8-44.5177.700000111.5L8 S167 A168 L174 S175L8-A171 HydrophobicContact CB-CB 3.74Å; L8-A171 WeakPolarHBondContact O-CB 3.36Å; S167-A171 WeakPolarHBondContact O-CB 3.45Å; S167-A171 PolarHBondContact O-N 3.3Å; A168-A171 PolarHBondContact O-N 2.88Å; A171-L174 PolarHBondContact O-N 3.1Å; A171-S175 VanDerWaalsContact O-CB 3.28Å; A171-S175 WeakPolarHBondContact O-CB 3.41Å; A171-S175 PolarHBondContact O-N 2.83Å
172Q79.2Confident76.9Confident28 Ų2872.5 Ų72.513%0.13137%0.374CS..Hα-helixtrans-66.3-38.7173-87.1-72.9-13.100112.9S9 D85 V86 D87 A168 L170 L174 S175 R176S9-Q172 PolarHBondContact OG-NE2 2.85Å; D85-Q172 PolarHBondContact OD1-NE2 2.78Å; D85-Q172 PolarHBondContact OD2-NE2 2.79Å; V86-Q172 HydrophobicContact CG2-CB 4.42Å; V86-Q172 HydrophobicContact CG2-CG 3.82Å; D87-Q172 VanDerWaalsContact OD2-CD 3.27Å; D87-Q172 WeakPolarHBondContact OD2-CG 3.29Å; D87-Q172 PolarHBondContact OD2-OE1 3.2Å; A168-Q172 PolarHBondContact O-N 3.21Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 3.46Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; Q172-S175 PolarHBondContact O-N 2.88Å; Q172-R176 WeakPolarHBondContact O-CB 3.4Å; Q172-R176 VanDerWaalsContact O-CG 3.26Å; Q172-R176 WeakPolarHBondContact O-CG 3.47Å; Q172-R176 PolarHBondContact O-N 3.12Å
173H78.5Confident75.2Confident119 Ų11971.3 Ų71.355%0.55138%0.376SS*.Hα-helixtrans-62.5-43.3176.9-174.5-85000111.3L169 L170 S177L169-H173 WeakPolarHBondContact O-CB 3.44Å; L169-H173 PolarHBondContact O-N 2.88Å; L170-H173 WeakPolarHBondContact O-CB 3.27Å; L170-H173 PolarHBondContact O-N 3.29Å; H173-S177 WeakPolarHBondContact O-CB 3.39Å; H173-S177 PolarHBondContact O-N 2.95Å; H173-S177 PolarHBondContact O-OG 2.78Å
174L74.8Confident73.5Confident100 Ų10072.1 Ų72.152%0.52439%0.389SS..Hα-helixtrans-66.4-47175.8-70.5170.3000111.4L170 A171 Q172 R176 S177 I178L170-L174 WeakPolarHBondContact O-CG 3.19Å; L170-L174 PolarHBondContact O-N 2.85Å; A171-L174 PolarHBondContact O-N 3.1Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.26Å; L174-S177 WeakPolarHBondContact O-CB 3.42Å; L174-S177 PolarHBondContact O-N 3.3Å; L174-S177 VanDerWaalsContact O-N 3.1Å; L174-I178 WeakPolarHBondContact O-CG1 3.31Å; L174-I178 PolarHBondContact O-N 3Å
175S74.4Confident71.4Confident60 Ų6073 Ų7342%0.4240%0.404SS..Hα-helixtrans-56.1-50.6176.8-176.90000111.3A171 Q172 S177 I178 S179A171-S175 VanDerWaalsContact O-CB 3.28Å; A171-S175 WeakPolarHBondContact O-CB 3.41Å; A171-S175 PolarHBondContact O-N 2.83Å; Q172-S175 PolarHBondContact O-N 2.88Å; S175-S177 VanDerWaalsContact C-N 3.3Å; S175-S177 PolarHBondContact O-N 2.75Å; S175-I178 PolarHBondContact O-N 3.48Å; S175-S179 PolarHBondContact O-N 2.83Å; S175-S179 PolarHBondContact O-OG 2.83Å
176R72.5Confident69.4Low106 Ų10678.8 Ų78.840%0.444%0.439SS..Hα-helixtrans-62.2-34.9176.1-69.8176.1-172.6-164.51.1112.9D87 Q172 L174 R180D87-R176 IonicContact OD1-NH2 2.67Å; D87-R176 PolarHBondContact OD1-NH2 3.04Å; D87-R176 IonicContact OD2-CZ 2.78Å; D87-R176 IonicContact OD2-NH2 3.79Å; D87-R176 PolarHBondContact OD2-NH2 2.85Å; Q172-R176 WeakPolarHBondContact O-CB 3.4Å; Q172-R176 VanDerWaalsContact O-CG 3.26Å; Q172-R176 WeakPolarHBondContact O-CG 3.47Å; Q172-R176 PolarHBondContact O-N 3.12Å; L174-R176 PolarHBondContact O-N 3.26Å; R176-R180 WeakPolarHBondContact O-CG 3.4Å; R176-R180 PolarHBondContact O-N 2.88Å; R176-R180 VanDerWaalsContact O-N 3.11Å
177S70.8Confident67.2Low35 Ų3583.7 Ų83.725%0.24546%0.461CS..Hα-helixtrans-69.2-42.5176.9-60.80000111.4H173 L174 S175 R180 I181H173-S177 WeakPolarHBondContact O-CB 3.39Å; H173-S177 PolarHBondContact O-N 2.95Å; H173-S177 PolarHBondContact O-OG 2.78Å; L174-S177 WeakPolarHBondContact O-CB 3.42Å; L174-S177 PolarHBondContact O-N 3.3Å; L174-S177 VanDerWaalsContact O-N 3.1Å; S175-S177 VanDerWaalsContact C-N 3.3Å; S175-S177 PolarHBondContact O-N 2.75Å; S177-R180 PolarHBondContact O-N 3.4Å; S177-I181 WeakPolarHBondContact O-CG1 3.41Å; S177-I181 PolarHBondContact O-N 3.43Å; S177-I181 VanDerWaalsContact O-N 3.09Å
178I66.1Low64.7Low102 Ų10283.4 Ų83.452%0.52347%0.469SS..Hα-helixtrans-64.4-45175.4-66.8166.2000110.3L174 S175 R180 I181 T182L174-I178 WeakPolarHBondContact O-CG1 3.31Å; L174-I178 PolarHBondContact O-N 3Å; S175-I178 PolarHBondContact O-N 3.48Å; I178-R180 VanDerWaalsContact C-N 3.29Å; I178-R180 PolarHBondContact O-N 2.88Å; I178-I181 PolarHBondContact O-N 3.35Å; I178-I181 VanDerWaalsContact O-N 3.09Å; I178-T182 HydrophobicContact CG2-CG2 4.48Å; I178-T182 PolarHBondContact O-N 3.42Å; I178-T182 PolarHBondContact O-OG1 2.99Å; I178-T182 VanDerWaalsContact O-OG1 3.05Å
179S66.9Low62.2Low64 Ų6494.4 Ų94.445%0.44851%0.51SS..Hα-helixtrans-60.2-36.2176.8-53.70000112.8S175 T182 A183S175-S179 PolarHBondContact O-N 2.83Å; S175-S179 PolarHBondContact O-OG 2.83Å; S179-T182 WeakPolarHBondContact CA-OG1 3.31Å; S179-T182 PolarHBondContact O-OG1 3.14Å; S179-A183 VanDerWaalsContact O-CB 3.22Å; S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 2.92Å
180R61.3Low59.7Low171 Ų171101.7 Ų101.765%0.64554%0.543SS*.Hα-helixtrans-68.1-39.5173.6-74.5-176.9-146.51636112.1R176 S177 I178 N184R176-R180 WeakPolarHBondContact O-CG 3.4Å; R176-R180 PolarHBondContact O-N 2.88Å; R176-R180 VanDerWaalsContact O-N 3.11Å; S177-R180 PolarHBondContact O-N 3.4Å; I178-R180 VanDerWaalsContact C-N 3.29Å; I178-R180 PolarHBondContact O-N 2.88Å; R180-N184 WeakPolarHBondContact O-CB 3.39Å; R180-N184 PolarHBondContact O-N 3.02Å
181I51.2Low57.3Low121 Ų121103.5 Ų103.562%0.62156%0.559SS**Hα-helixtrans-67.5-42.2178.2-66165.6000110.5S177 I178 N184 S185S177-I181 WeakPolarHBondContact O-CG1 3.41Å; S177-I181 PolarHBondContact O-N 3.43Å; S177-I181 VanDerWaalsContact O-N 3.09Å; I178-I181 PolarHBondContact O-N 3.35Å; I178-I181 VanDerWaalsContact O-N 3.09Å; I181-N184 PolarHBondContact O-N 3.37Å; I181-S185 WeakPolarHBondContact O-CB 3.27Å; I181-S185 PolarHBondContact O-N 3Å
182T50.6Low55Low77 Ų77108.4 Ų108.447%0.47259%0.592SS.*Hα-helixtrans-70.8-39177.548.40000112.6I178 S179 N184 S185 V186I178-T182 HydrophobicContact CG2-CG2 4.48Å; I178-T182 PolarHBondContact O-N 3.42Å; I178-T182 PolarHBondContact O-OG1 2.99Å; I178-T182 VanDerWaalsContact O-OG1 3.05Å; S179-T182 WeakPolarHBondContact CA-OG1 3.31Å; S179-T182 PolarHBondContact O-OG1 3.14Å; T182-N184 VanDerWaalsContact C-N 3.33Å; T182-N184 PolarHBondContact O-N 2.84Å; T182-S185 PolarHBondContact O-N 3.02Å; T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 3.15Å; T182-V186 VanDerWaalsContact O-N 3.15Å
183A51.6Low52.8Low54 Ų54110.7 Ų110.745%0.44662%0.623SS.*Hα-helixtrans-62.3-38.8174.200000112.4S179 S185S179-A183 VanDerWaalsContact O-CB 3.22Å; S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 2.92Å; A183-S185 VanDerWaalsContact C-N 3.35Å
184N49.4Very low50.6Low133 Ų133110.3 Ų110.371%0.71163%0.634SS**Hα-helixtrans-72-28175.6-74.9-6.2000112.8R180 I181 T182R180-N184 WeakPolarHBondContact O-CB 3.39Å; R180-N184 PolarHBondContact O-N 3.02Å; I181-N184 PolarHBondContact O-N 3.37Å; T182-N184 VanDerWaalsContact C-N 3.33Å; T182-N184 PolarHBondContact O-N 2.84Å
185S44.2Very low48.7Very low96 Ų96114.7 Ų114.767%0.67165%0.652SS**Hα-helixtrans-80-20.6178.5-168.40000114.1I181 T182 A183I181-S185 WeakPolarHBondContact O-CB 3.27Å; I181-S185 PolarHBondContact O-N 3Å; T182-S185 PolarHBondContact O-N 3.02Å; A183-S185 VanDerWaalsContact C-N 3.35Å
186V47.9Very low46.7Very low121 Ų121117.3 Ų117.373%0.73367%0.67SS**Hα-helixtrans-91.4-22.1-178.4176.90000112.7T182T182-V186 WeakPolarHBondContact O-CG2 3.45Å; T182-V186 PolarHBondContact O-N 3.15Å; T182-V186 VanDerWaalsContact O-N 3.15Å
187N42.1Very low44.9Very low150 Ų150121.4 Ų121.480%0.80269%0.694SS**SBendtrans-98.36.9177.5-76.1-18.6000114.7
188G35.1Very low42.9Very low63 Ų63125.3 Ų125.365%0.64972%0.721SS**  trans-101.749.6-174.800000115.3
189R33.9Very low41.3Very low231 Ų231126.9 Ų126.987%0.87274%0.735SS**  trans-129.791.8162.4-97-176.5176168.8-0.5108.1
190H36Very low39.5Very low180 Ų180129.5 Ų129.583%0.83375%0.751SS**SBendtrans161.4136.8145.3-86.9-68.6000108.7
191T36.1Very low38Very low142 Ų142126.5 Ų126.587%0.87176%0.756SS**  trans94118168750000118
192S32.8Very low36.9Very low124 Ų124128.3 Ų128.387%0.86777%0.765SS**  trans-66.2144.6170.7460000112.9
193G33.1Very low35.9Very low76 Ų76130.1 Ų130.178%0.78478%0.777SS**  trans169.3108.9166.200000112.4
194S31.9Very low34.8Very low111 Ų111133.6 Ų133.678%0.77679%0.792SS**  trans-51.8136170520000113.1
195Q35.9Very low33.8Very low192 Ų192137.9 Ų137.990%0.89780%0.798SS**  -176141125.4-99.5170.727.300111.2
196S31.2Very low33.1Very low114 Ų114137.2 Ų137.280%0.79779%0.793SS**  trans-71.7133.2179.447.10000112.5
197E34.3Very low32.4Very low193 Ų193136.4 Ų136.490%0.90279%0.79SS**  trans-147.1126.3155.2-111.2175.6-169.500110.5
198S30.5Very low31.9Very low116 Ų116134.1 Ų134.181%0.81179%0.787SS**  trans-85138.4-175.846.90000112.2
199T31.1Very low31.9Very low135 Ų135137.4 Ų137.483%0.82879%0.794SS**  trans-146.6142.8158.32.70000109.9
200P29.7Very low31.7Very low119 Ų119133.2 Ų133.277%0.77379%0.789SS**  trans-87.4140.8-151.233.9-33.1000113.4
201S29.2Very low31.5Very low109 Ų109133.3 Ų133.376%0.76278%0.782SS**  trans-79.6119.9170.1-38.80000109.8T203S201-T203 PolarHBondContact O-N 2.67Å
202I29Very low31.3Very low159 Ų159133.1 Ų133.182%0.81578%0.781SS**  trans-80101.1165.8-66.3174.9000106.9V204I202-V204 HydrophobicContact CG2-CG2 4.33Å
203T29.2Very low31.1Very low115 Ų115134.5 Ų134.571%0.70678%0.775SS**  trans-93.7109.1171.2-52.70000108.1S201 R205S201-T203 PolarHBondContact O-N 2.67Å; T203-R205 PolarHBondContact O-N 2.67Å
204V28.9Very low31Very low127 Ų127139 Ų13977%0.7778%0.781SS**  trans-81.7112.3167.5-179.60000107.4I202I202-V204 HydrophobicContact CG2-CG2 4.33Å
205R28.2Very low30.9Very low223 Ų223140.2 Ų140.284%0.84278%0.779SS**  trans-96.6110.4176.7-123.9-178.4-178.8-147.2-0.5108T203T203-R205 PolarHBondContact O-N 2.67Å
206S29.8Very low30.8Very low81 Ų81140 Ų14057%0.56678%0.778SS**  trans-78.4143.4162.7-56.10000109.2S208S206-S208 PolarHBondContact O-N 3.05Å
207P32.7Very low30.6Very low104 Ų104142.2 Ų142.268%0.67578%0.78SS**  trans-76.1110.2-168.829-32.1000111.7T209P207-T209 PolarHBondContact O-N 3.29Å
208S31.5Very low30.6Very low103 Ų103139.8 Ų139.872%0.7278%0.778SS**  trans-63.5120.5163.246.40000109.7S206 D210S206-S208 PolarHBondContact O-N 3.05Å; S208-D210 PolarHBondContact O-N 3.47Å
209T35.2Very low30.5Very low132 Ų132141 Ų14181%0.8178%0.775SS**  trans-82.1103.7170.2-39.90000107.8P207 R211P207-T209 PolarHBondContact O-N 3.29Å; T209-R211 PolarHBondContact O-N 3.06Å
210D30.5Very low30.8Very low143 Ų143140.1 Ų140.177%0.76578%0.775SS**  trans-60.8123169.4-91.2-35.9000110S208S208-D210 PolarHBondContact O-N 3.47Å
211R31.4Very low30.8Very low182 Ų182138.3 Ų138.369%0.68778%0.778SS**  trans-127.490.5158.9-86.7-171.5178.1178.31.1108.8T209 M213T209-R211 PolarHBondContact O-N 3.06Å; R211-M213 PolarHBondContact O-N 2.83Å
212T32Very low31Very low137 Ų137137 Ų13784%0.8478%0.782SS**  trans-70.5108.915743.60000108.8
213M28.5Very low31Very low154 Ų154133 Ų13376%0.75978%0.78SS**  trans-72.2128.2162-77.3-162.616800109.2R211R211-M213 PolarHBondContact O-N 2.83Å
214N31.4Very low31.3Very low170 Ų170135.1 Ų135.191%0.90979%0.792SS**  trans-116.6116153.6-110.9-3.8000108.1
215N29.5Very low31.4Very low137 Ų137132.1 Ų132.173%0.73379%0.787SS**  trans-58.1132.1170.1-84.6-22.6000110.5
216H32.7Very low31.7Very low187 Ų187127.6 Ų127.687%0.86679%0.787SS**  trans-150.3109.2138.9-112.1-73.1000109.7
217L26.5Very low31.9Very low161 Ų161130.6 Ų130.684%0.84380%0.802SS**  trans-64.7130.5164.5-73.8144.1000109.1
218V35.2Very low31.8Very low141 Ų141133.6 Ų133.686%0.85581%0.811SS**  trans-145125.3140.2-154.40000109.2
219D29Very low31.9Very low142 Ų142136.6 Ų136.676%0.75982%0.819SS**  trans-62.9143.3175.3177.324.3000113.2
220S36Very low31.7Very low116 Ų116135.8 Ų135.881%0.81182%0.818SS**  trans174.1120.5137.1-76.10000111.1
221G30.8Very low32Very low82 Ų82135.1 Ų135.185%0.84583%0.825SS**  trans-79.5-173.8-174.700000117.2
222G32.7Very low32.1Very low82 Ų82130.8 Ų130.885%0.84583%0.828SS**  trans144.2100.6170.300000111.4
223G29.6Very low32.3Very low75 Ų75131.7 Ų131.777%0.77383%0.828SS**  trans-83.6-168.6-176.200000115.9
224V35.5Very low32.7Very low158 Ų158132 Ų13296%0.95883%0.827SS**  trans117.7129.8158.6-173.90000114.1
225G31Very low32.9Very low64 Ų64129.6 Ų129.666%0.6682%0.823SS**  trans-76.1-169.2-166.900000117.6
226P34.5Very low33.1Very low129 Ų129129.6 Ų129.684%0.83882%0.823SS**  trans-95.7147.4-144.536.1-33.8000113.5
227T34.1Very low33.3Very low144 Ų144128.1 Ų128.188%0.88382%0.822SS**  trans-144.2130.3160.441.50000111.3
228L30.1Very low33.5Very low167 Ų167127.4 Ų127.487%0.87482%0.819SS**  trans-67.9135.8167-76.9135.4000109.9
229N33.8Very low33.5Very low166 Ų166128.8 Ų128.889%0.88882%0.82SS**  -170.9130.1129.9-103.2-14.4000112.6
230S31.7Very low33.6Very low114 Ų114129.1 Ų129.180%0.79782%0.822SS**  trans-60.7148170.2-60.20000112.7
231S35.3Very low33.3Very low129 Ų129130.6 Ų130.690%0.90282%0.821SS**  trans-168.6133131.1-80.40000111.1
232A33.8Very low33.3Very low91 Ų91133.8 Ų133.875%0.75282%0.824SS**  trans-75.6159.6-171.800000114
233N36.1Very low33.4Very low157 Ų157135.2 Ų135.284%0.8482%0.816SS**  trans-154.6118137.8-108.2-18.5000113.5
234H36.4Very low33.8Very low161 Ų161136.6 Ų136.675%0.74581%0.806SS**  trans-5.7139.8155.2-75.4-78.8000121.2
235S36.9Very low34.3Very low118 Ų118134.4 Ų134.483%0.82580%0.795SS**  -169.9116.4105.926.50000114.3
236N33.9Very low35Very low137 Ų137137.4 Ų137.473%0.73380%0.796SS**  trans26.6122.2142.2-65.5-10.4000122
237N35.7Very low35.7Very low156 Ų156135.3 Ų135.383%0.83478%0.778SS**  -170.7128.2104.7-95.6-20.4000114.1
238N31.5Very low36.6Very low147 Ų147133.8 Ų133.879%0.78677%0.773SS**  trans5128.8155.6-78.8-22.8000120.1
239I35.2Very low38.5Very low169 Ų169128.8 Ų128.887%0.86775%0.752SS**  -173.1136.2109.7-85.6148.9000108.9
240N30.2Very low40.6Very low149 Ų149122.7 Ų122.780%0.79772%0.719SS**  trans-51.9127.2-179.3-64.5-34.6000114.2
241N31.6Very low42.8Very low148 Ų148118 Ų11879%0.79169%0.686SS**  trans-163.5128.6137.8-103.8-13.1000109.7T243N241-T243 PolarHBondContact O-N 3.1Å; N241-T243 VanDerWaalsContact O-N 3.08Å
242T29.2Very low44.8Very low149 Ų149117.7 Ų117.791%0.91468%0.681SS**  trans-62.6100.3175.343.10000110.6
243T34.7Very low47Very low112 Ų112115.2 Ų115.269%0.68766%0.664SS**  trans-95.2121.1173.8460000111N241N241-T243 PolarHBondContact O-N 3.1Å; N241-T243 VanDerWaalsContact O-N 3.08Å
244N39.2Very low49.4Very low103 Ų103110.5 Ų110.555%0.55164%0.635SS**  trans-59.5145.8175.2-103.7-28.9000111.3N246N244-N246 PolarHBondContact O-N 3.21Å
245P44.6Very low51.8Low112 Ų112106.4 Ų106.473%0.72762%0.616SS**THydrogen-bonded Turntrans-64.53.9-179.7-18.330.4000116.3
246N47.2Very low54.2Low127 Ų127101.6 Ų101.668%0.67958%0.583SS**THydrogen-bonded Turntrans-97.40.1-176.1-81.9-14.8000114.5N244N244-N246 PolarHBondContact O-N 3.21Å
247D49Very low56.9Low86 Ų8698.6 Ų98.646%0.4656%0.563SS.*  trans-86.6-1.7-175.1-112-17.9000115.1S249D247-S249 PolarHBondContact O-N 3.42Å
248S53.2Low59.4Low111 Ų11196.2 Ų96.278%0.77654%0.543SS*.THydrogen-bonded Turntrans-88.525.7-163.351.40000116.6
249S69.9Low61.8Low62 Ų6291.2 Ų91.243%0.43452%0.518SS..THydrogen-bonded Turntrans-157.226.5176.890.80000117.3D247 K278D247-S249 PolarHBondContact O-N 3.42Å; S249-K278 WeakPolarHBondContact OG-CE 3.29Å; S249-K278 PolarHBondContact OG-NZ 3.13Å
250L76.9Confident64Low39 Ų3989.5 Ų89.520%0.20452%0.522CS..PPolyproline II helixtrans-83.1142.4178-68.1174.6000111.8W254 A256 Y266 K278 P279L250-W254 HydrophobicContact CB-CB 4.3Å; L250-A256 HydrophobicContact CD1-CB 3.83Å; L250-Y266 HydrophobicContact CD1-CD1 4.37Å; L250-Y266 HydrophobicContact CD2-CD1 3.7Å; L250-Y266 HydrophobicContact CD2-CE1 3.74Å; L250-K278 HydrophobicContact CD2-CG 4.17Å; L250-P279 HydrophobicContact CD2-CG 3.78Å
251P78.2Confident66.5Low15 Ų1589.4 Ų89.410%0.09752%0.516CS..PPolyproline II helixtrans-63.5154.9174-18.732.6000111.7G253 W254 P279 T280P251-G253 PolarHBondContact O-N 3.32Å; P251-W254 WeakPolarHBondContact O-CB 3.47Å; P251-W254 PolarHBondContact O-N 2.84Å; P251-P279 HydrophobicContact CG-CB 4.11Å; P251-P279 HydrophobicContact CG-CG 4.32Å; P251-T280 WeakPolarHBondContact CG-O 3.46Å
252P78.3Confident68.8Low123 Ų12384.9 Ų84.980%0.79950%0.504SS*.THydrogen-bonded Turntrans-52.7131176.9-26.834.6000113.2R288P252-R288 PolarHBondContact O-NH2 3.14Å
253G79.5Confident71.1Confident39 Ų3985.3 Ų85.340%0.40249%0.489SS..THydrogen-bonded Turntrans88.27.1-179.600000115.3P251 H269P251-G253 PolarHBondContact O-N 3.32Å; G253-H269 WeakPolarHBondContact O-CB 3.42Å; G253-H269 PolarHBondContact O-CD2 3.19Å; G253-H269 PolarHBondContact O-N 2.96Å
254W85Confident73.6Confident57 Ų5782.7 Ų82.722%0.21647%0.47CS..EExtended strand (participates in β ladder)trans-109.9140.3173.4-69.485.4000111.8L250 P251 V267 D268 T275 P279L250-W254 HydrophobicContact CB-CB 4.3Å; P251-W254 WeakPolarHBondContact O-CB 3.47Å; P251-W254 PolarHBondContact O-N 2.84Å; W254-V267 WeakPolarHBondContact CA-O 3.4Å; W254-D268 HydrophobicContact CD2-CB 4.13Å; W254-D268 HydrophobicContact CE3-CB 3.91Å; W254-D268 HydrophobicContact CH2-CB 3.71Å; W254-D268 HydrophobicContact CZ2-CB 3.9Å; W254-D268 HydrophobicContact CZ3-CB 3.69Å; W254-T275 HydrophobicContact CH2-CG2 4.05Å; W254-T275 HydrophobicContact CZ3-CG2 3.65Å; W254-P279 HydrophobicContact CB-CG 3.95Å; W254-P279 HydrophobicContact CD2-CB 3.53Å; W254-P279 HydrophobicContact CD2-CG 3.43Å; W254-P279 VanDerWaalsContact CD2-CG 3.43Å; W254-P279 VanDerWaalsContact CE2-CB 3.49Å; W254-P279 HydrophobicContact CE3-CB 3.88Å; W254-P279 HydrophobicContact CE3-CG 3.59Å; W254-P279 HydrophobicContact CG-CB 3.96Å; W254-P279 HydrophobicContact CG-CG 3.62Å; W254-P279 HydrophobicContact CH2-CB 4.08Å; W254-P279 HydrophobicContact CZ2-CB 3.78Å; W254-P279 HydrophobicContact CZ3-CB 4.13Å; W254-P279 HydrophobicContact CZ3-CG 4.19Å
255E87.9Confident75.8Confident76 Ų7680.5 Ų80.536%0.35546%0.455SS..EExtended strand (participates in β ladder)trans-126.3132.8176.2178-173.4-173.200109.2K257 Y266 V267 H269E255-K257 HydrophobicContact CG-CG 4.2Å; E255-K257 WeakPolarHBondContact OE1-CE 3.21Å; E255-K257 IonicContact OE1-NZ 2.84Å; E255-K257 WeakPolarHBondContact OE2-CE 3.24Å; E255-K257 IonicContact OE2-NZ 3.07Å; E255-K257 PolarHBondContact OE2-NZ 2.78Å; E255-Y266 CarbonylContact O-C 3.52Å; E255-Y266 WeakPolarHBondContact O-CA 3.19Å; E255-V267 HydrophobicContact CB-CB 4.43Å; E255-V267 PolarHBondContact N-O 3.41Å; E255-V267 PolarHBondContact O-N 3Å; E255-H269 WeakPolarHBondContact CB-NE2 3.4Å; E255-H269 IonicContact OE2-CE1 2.76Å; E255-H269 PolarHBondContact OE2-CE1 2.84Å; E255-H269 IonicContact OE2-NE2 3.59Å; E255-H269 PolarHBondContact OE2-NE2 3.09Å
256A88.1Confident77.8Confident16 Ų1676.3 Ų76.313%0.13243%0.425CS..EExtended strand (participates in β ladder)trans-84.1130.6168.400000109.9L250 I264 Y266L250-A256 HydrophobicContact CD1-CB 3.83Å; A256-I264 HydrophobicContact CB-CD1 3.93Å; A256-I264 HydrophobicContact CB-CG1 4.2Å; A256-Y266 HydrophobicContact CB-CD1 4.11Å; A256-Y266 HydrophobicContact CB-CE1 4.08Å
257K89Confident79.6Confident74 Ų7471.2 Ų71.232%0.32240%0.398SS..EExtended strand (participates in β ladder)trans-125164.3173.5-68.9-163.7-177.5-176.60110.6E255 I264 Y265 V267E255-K257 HydrophobicContact CG-CG 4.2Å; E255-K257 WeakPolarHBondContact OE1-CE 3.21Å; E255-K257 IonicContact OE1-NZ 2.84Å; E255-K257 WeakPolarHBondContact OE2-CE 3.24Å; E255-K257 IonicContact OE2-NZ 3.07Å; E255-K257 PolarHBondContact OE2-NZ 2.78Å; K257-I264 CarbonylContact O-C 3.56Å; K257-I264 VanDerWaalsContact O-CA 3.31Å; K257-I264 WeakPolarHBondContact O-CA 3.33Å; K257-Y265 HydrophobicContact CB-CD1 4Å; K257-Y265 HydrophobicContact CB-CD2 4.17Å; K257-Y265 HydrophobicContact CB-CE1 3.42Å; K257-Y265 VanDerWaalsContact CB-CE1 3.42Å; K257-Y265 HydrophobicContact CB-CE2 3.64Å; K257-Y265 HydrophobicContact CB-CG 4.35Å; K257-Y265 WeakPolarHBondContact CB-OH 3.39Å; K257-Y265 HydrophobicContact CD-CE2 4.2Å; K257-Y265 WeakPolarHBondContact CD-OH 3.25Å; K257-Y265 HydrophobicContact CG-CE2 4.36Å; K257-Y265 PolarHBondContact N-O 2.72Å; K257-Y265 WeakPolarHBondContact O-CD1 3.44Å; K257-Y265 PolarHBondContact O-N 2.85Å; K257-Y265 VanDerWaalsContact O-O 3.09Å; K257-V267 HydrophobicContact CB-CG2 4.36Å; K257-V267 HydrophobicContact CD-CG2 3.73Å; K257-V267 HydrophobicContact CG-CG2 3.88Å
258Y89.7Confident81.2Confident106 Ų10667.4 Ų67.442%0.41638%0.378SS..EExtended strand (participates in β ladder)trans-121.8137.6-179.9-61-92.6000109.8R263 I264Y258-R263 CarbonylContact C-O 3.56Å; Y258-R263 WeakPolarHBondContact CA-O 2.95Å; Y258-I264 HydrophobicContact CD1-CB 4.13Å; Y258-I264 HydrophobicContact CE1-CB 3.97Å; Y258-I264 HydrophobicContact CE1-CD1 4.26Å; Y258-I264 HydrophobicContact CE1-CG1 4.16Å
259T80.9Confident82.7Confident42 Ų4265.9 Ų65.926%0.25836%0.358SS..  trans-69.4166.5168.655.70000111E261 G262 R263 Y265 W276T259-E261 PolarHBondContact O-N 2.68Å; T259-E261 VanDerWaalsContact O-N 3.16Å; T259-G262 PolarHBondContact O-N 2.77Å; T259-R263 PolarHBondContact N-O 3.34Å; T259-R263 WeakPolarHBondContact OG1-CB 3.18Å; T259-R263 PolarHBondContact OG1-N 2.8Å; T259-R263 PolarHBondContact OG1-O 3.32Å; T259-Y265 HydrophobicContact CG2-CD1 3.98Å; T259-Y265 HydrophobicContact CG2-CE1 4.21Å; T259-W276 HydrophobicContact CG2-CH2 3.69Å; T259-W276 HydrophobicContact CG2-CZ3 4.13Å
260S80.9Confident82.8Confident134 Ų13465.9 Ų65.994%0.93735%0.353SS*.THydrogen-bonded Turntrans-56.9-24.9171.747.20000113.4G262S260-G262 VanDerWaalsContact C-N 3.32Å
261E83.2Confident82.6Confident147 Ų14766.7 Ų66.769%0.68736%0.36SS*.THydrogen-bonded Turntrans-84.80.9174.9-60-178.3-179.900113.8T259 R263T259-E261 PolarHBondContact O-N 2.68Å; T259-E261 VanDerWaalsContact O-N 3.16Å; E261-R263 IonicContact OE2-CZ 3.62Å; E261-R263 IonicContact OE2-NE 3.6Å; E261-R263 IonicContact OE2-NH2 2.78Å
262G81Confident82.7Confident52 Ų5274 Ų7454%0.53639%0.39SS..SBendtrans81.55.4-179.200000115.3T259 S260T259-G262 PolarHBondContact O-N 2.77Å; S260-G262 VanDerWaalsContact C-N 3.32Å
263R76.7Confident82.6Confident159 Ų15971.6 Ų71.660%0.637%0.373SS*.  trans-75.6131.6174.1-59-177.1-176.3-178.12.6111Y258 T259 E261 W276Y258-R263 CarbonylContact C-O 3.56Å; Y258-R263 WeakPolarHBondContact CA-O 2.95Å; T259-R263 PolarHBondContact N-O 3.34Å; T259-R263 WeakPolarHBondContact OG1-CB 3.18Å; T259-R263 PolarHBondContact OG1-N 2.8Å; T259-R263 PolarHBondContact OG1-O 3.32Å; E261-R263 IonicContact OE2-CZ 3.62Å; E261-R263 IonicContact OE2-NE 3.6Å; E261-R263 IonicContact OE2-NH2 2.78Å; R263-W276 HydrophobicContact CB-CZ3 3.92Å
264I87.4Confident82.7Confident56 Ų5674.2 Ų74.229%0.28738%0.381SS..EExtended strand (participates in β ladder)trans-74.8139.4175.8-167.9168.1000111.1A256 K257 Y258 Y266 W276A256-I264 HydrophobicContact CB-CD1 3.93Å; A256-I264 HydrophobicContact CB-CG1 4.2Å; K257-I264 CarbonylContact O-C 3.56Å; K257-I264 VanDerWaalsContact O-CA 3.31Å; K257-I264 WeakPolarHBondContact O-CA 3.33Å; Y258-I264 HydrophobicContact CD1-CB 4.13Å; Y258-I264 HydrophobicContact CE1-CB 3.97Å; Y258-I264 HydrophobicContact CE1-CD1 4.26Å; Y258-I264 HydrophobicContact CE1-CG1 4.16Å; I264-Y266 HydrophobicContact CD1-CE1 4.03Å; I264-Y266 HydrophobicContact CG1-CE1 4.36Å; I264-W276 VanDerWaalsContact O-CE3 3.28Å
265Y84.9Confident82.2Confident57 Ų5773.7 Ų73.722%0.22439%0.385CS..EExtended strand (participates in β ladder)trans-138.1155.1168.568.6-83.8000109.4K257 T259 V267 T274K257-Y265 HydrophobicContact CB-CD1 4Å; K257-Y265 HydrophobicContact CB-CD2 4.17Å; K257-Y265 HydrophobicContact CB-CE1 3.42Å; K257-Y265 VanDerWaalsContact CB-CE1 3.42Å; K257-Y265 HydrophobicContact CB-CE2 3.64Å; K257-Y265 HydrophobicContact CB-CG 4.35Å; K257-Y265 WeakPolarHBondContact CB-OH 3.39Å; K257-Y265 HydrophobicContact CD-CE2 4.2Å; K257-Y265 WeakPolarHBondContact CD-OH 3.25Å; K257-Y265 HydrophobicContact CG-CE2 4.36Å; K257-Y265 PolarHBondContact N-O 2.72Å; K257-Y265 WeakPolarHBondContact O-CD1 3.44Å; K257-Y265 PolarHBondContact O-N 2.85Å; K257-Y265 VanDerWaalsContact O-O 3.09Å; T259-Y265 HydrophobicContact CG2-CD1 3.98Å; T259-Y265 HydrophobicContact CG2-CE1 4.21Å; Y265-V267 HydrophobicContact CD2-CG2 4.06Å; Y265-V267 HydrophobicContact CE2-CG2 3.66Å; Y265-T274 HydrophobicContact CD2-CG2 4.09Å; Y265-T274 HydrophobicContact CE2-CG2 4.03Å
266Y87.1Confident81.8Confident25 Ų2577.7 Ų77.710%0.09840%0.396CS..EExtended strand (participates in β ladder)trans-111.3128-175.5-55.6-83.4000110L250 E255 A256 I264 T274 T275 C277 K278L250-Y266 HydrophobicContact CD1-CD1 4.37Å; L250-Y266 HydrophobicContact CD2-CD1 3.7Å; L250-Y266 HydrophobicContact CD2-CE1 3.74Å; E255-Y266 CarbonylContact O-C 3.52Å; E255-Y266 WeakPolarHBondContact O-CA 3.19Å; A256-Y266 HydrophobicContact CB-CD1 4.11Å; A256-Y266 HydrophobicContact CB-CE1 4.08Å; I264-Y266 HydrophobicContact CD1-CE1 4.03Å; I264-Y266 HydrophobicContact CG1-CE1 4.36Å; Y266-T274 CarbonylContact O-C 3.53Å; Y266-T274 VanDerWaalsContact O-CA 3.26Å; Y266-T274 WeakPolarHBondContact O-CA 2.91Å; Y266-T275 PolarHBondContact N-O 3.34Å; Y266-T275 PolarHBondContact O-N 3.24Å; Y266-C277 VanDerWaalsContact CD2-O 3.23Å; Y266-C277 WeakPolarHBondContact CD2-O 3.32Å; Y266-K278 HydrophobicContact CD2-CB 4.47Å; Y266-K278 HydrophobicContact CE1-CB 4.18Å; Y266-K278 HydrophobicContact CE1-CG 3.93Å; Y266-K278 HydrophobicContact CE2-CB 3.74Å; Y266-K278 HydrophobicContact CE2-CG 4.4Å; Y266-K278 VanDerWaalsContact CE2-N 3.29Å
267V84.9Confident81.1Confident19 Ų1981.2 Ų81.212%0.11542%0.419CS..EExtended strand (participates in β ladder)trans-99.5124.7178.2-173.90000108.7W254 E255 K257 Y265 T274W254-V267 WeakPolarHBondContact CA-O 3.4Å; E255-V267 HydrophobicContact CB-CB 4.43Å; E255-V267 PolarHBondContact N-O 3.41Å; E255-V267 PolarHBondContact O-N 3Å; K257-V267 HydrophobicContact CB-CG2 4.36Å; K257-V267 HydrophobicContact CD-CG2 3.73Å; K257-V267 HydrophobicContact CG-CG2 3.88Å; Y265-V267 HydrophobicContact CD2-CG2 4.06Å; Y265-V267 HydrophobicContact CE2-CG2 3.66Å; V267-T274 HydrophobicContact CG1-CG2 4.43Å; V267-T274 HydrophobicContact CG2-CG2 4.04Å
268D82.7Confident80.7Confident7 Ų782.7 Ų82.74%0.03743%0.426CS..EExtended strand (participates in β ladder)trans-92.5106.8169.4-1754.5000109.5W254 L270 T271 K272 T273 R288W254-D268 HydrophobicContact CD2-CB 4.13Å; W254-D268 HydrophobicContact CE3-CB 3.91Å; W254-D268 HydrophobicContact CH2-CB 3.71Å; W254-D268 HydrophobicContact CZ2-CB 3.9Å; W254-D268 HydrophobicContact CZ3-CB 3.69Å; D268-L270 PolarHBondContact O-N 2.8Å; D268-L270 WeakPolarHBondContact OD1-CB 3.33Å; D268-L270 PolarHBondContact OD1-N 2.8Å; D268-T271 VanDerWaalsContact CB-OG1 3.28Å; D268-T271 WeakPolarHBondContact CB-OG1 3.3Å; D268-T271 VanDerWaalsContact OD2-CG2 3.27Å; D268-T271 WeakPolarHBondContact OD2-CG2 3.17Å; D268-T271 PolarHBondContact OD2-OG1 2.85Å; D268-K272 VanDerWaalsContact O-CA 3.27Å; D268-K272 WeakPolarHBondContact O-CA 3.41Å; D268-K272 PolarHBondContact O-N 2.76Å; D268-T273 PolarHBondContact N-O 2.81Å; D268-T273 PolarHBondContact O-N 2.89Å; D268-R288 IonicContact OD1-CZ 3.88Å; D268-R288 IonicContact OD1-NH1 3.78Å; D268-R288 PolarHBondContact OD1-NH1 2.76Å; D268-R288 IonicContact OD1-NH2 3.97Å; D268-R288 PolarHBondContact OD1-NH2 3.09Å; D268-R288 VanDerWaalsContact OD1-NH2 3.17Å; D268-R288 IonicContact OD2-NH1 3.01Å; D268-R288 PolarHBondContact OD2-NH1 3.31Å
269H83.5Confident79.9Confident78 Ų7878.4 Ų78.436%0.36141%0.411SS..THydrogen-bonded Turntrans-70.1-15-179.5-67.5-80.4000113.5G253 E255 K272G253-H269 WeakPolarHBondContact O-CB 3.42Å; G253-H269 PolarHBondContact O-CD2 3.19Å; G253-H269 PolarHBondContact O-N 2.96Å; E255-H269 WeakPolarHBondContact CB-NE2 3.4Å; E255-H269 IonicContact OE2-CE1 2.76Å; E255-H269 PolarHBondContact OE2-CE1 2.84Å; E255-H269 IonicContact OE2-NE2 3.59Å; E255-H269 PolarHBondContact OE2-NE2 3.09Å; H269-K272 WeakPolarHBondContact O-CD 3.46Å; H269-K272 VanDerWaalsContact O-CE 3.28Å; H269-K272 WeakPolarHBondContact O-CE 3.28Å; H269-K272 PolarHBondContact O-NZ 3.16Å
270L72.9Confident79.6Confident63 Ų6381.4 Ų81.433%0.3343%0.429SS..THydrogen-bonded Turntrans-80.4-52.4177.9-167.265.5000110.7D268 R288 T290 V296D268-L270 PolarHBondContact O-N 2.8Å; D268-L270 WeakPolarHBondContact OD1-CB 3.33Å; D268-L270 PolarHBondContact OD1-N 2.8Å; L270-R288 HydrophobicContact CD2-CG 3.71Å; L270-T290 HydrophobicContact CD1-CG2 3.59Å; L270-T290 HydrophobicContact CD2-CG2 3.9Å; L270-T290 HydrophobicContact CG-CG2 3.67Å; L270-V296 HydrophobicContact CD2-CG1 4.4Å; L270-V296 HydrophobicContact CD2-CG2 3.75Å; L270-V296 HydrophobicContact CG-CG2 4.11Å
271T72.4Confident79.6Confident56 Ų5679.5 Ų79.534%0.34441%0.413SS..THydrogen-bonded Turntrans-85.2-10.1179.858.10000113.8D268 T273 V296D268-T271 VanDerWaalsContact CB-OG1 3.28Å; D268-T271 WeakPolarHBondContact CB-OG1 3.3Å; D268-T271 VanDerWaalsContact OD2-CG2 3.27Å; D268-T271 WeakPolarHBondContact OD2-CG2 3.17Å; D268-T271 PolarHBondContact OD2-OG1 2.85Å; T271-T273 PolarHBondContact O-N 3.22Å; T271-T273 PolarHBondContact OG1-OG1 2.77Å; T271-V296 HydrophobicContact CG2-CG2 3.5Å
272K80Confident79.6Confident167 Ų16775 Ų7573%0.72639%0.394SS*.THydrogen-bonded Turntrans5832.7-172.7-50.7-58.2-176.4-164.10112.8D268 H269D268-K272 VanDerWaalsContact O-CA 3.27Å; D268-K272 WeakPolarHBondContact O-CA 3.41Å; D268-K272 PolarHBondContact O-N 2.76Å; H269-K272 WeakPolarHBondContact O-CD 3.46Å; H269-K272 VanDerWaalsContact O-CE 3.28Å; H269-K272 WeakPolarHBondContact O-CE 3.28Å; H269-K272 PolarHBondContact O-NZ 3.16Å
273T76.5Confident79.8Confident73 Ų7373.9 Ų73.945%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-111165.9178.964.20000111.5D268 T271D268-T273 PolarHBondContact N-O 2.81Å; D268-T273 PolarHBondContact O-N 2.89Å; T271-T273 PolarHBondContact O-N 3.22Å; T271-T273 PolarHBondContact OG1-OG1 2.77Å
274T82Confident80.2Confident95 Ų9572.2 Ų72.258%0.58339%0.387SS*.EExtended strand (participates in β ladder)trans-126.1143.3174.459.20000110.2Y265 Y266 V267Y265-T274 HydrophobicContact CD2-CG2 4.09Å; Y265-T274 HydrophobicContact CE2-CG2 4.03Å; Y266-T274 CarbonylContact O-C 3.53Å; Y266-T274 VanDerWaalsContact O-CA 3.26Å; Y266-T274 WeakPolarHBondContact O-CA 2.91Å; V267-T274 HydrophobicContact CG1-CG2 4.43Å; V267-T274 HydrophobicContact CG2-CG2 4.04Å
275T74.5Confident80.2Confident46 Ų4670.9 Ų70.928%0.28239%0.387SS..EExtended strand (participates in β ladder)trans-135.9156175.6-178.60000110.5W254 Y266 C277W254-T275 HydrophobicContact CH2-CG2 4.05Å; W254-T275 HydrophobicContact CZ3-CG2 3.65Å; Y266-T275 PolarHBondContact N-O 3.34Å; Y266-T275 PolarHBondContact O-N 3.24Å; T275-C277 VanDerWaalsContact C-N 3.34Å; T275-C277 VanDerWaalsContact CG2-O 3.29Å; T275-C277 WeakPolarHBondContact CG2-O 3.15Å; T275-C277 PolarHBondContact OG1-N 2.89Å
276W79.4Confident80.3Confident159 Ų15969.4 Ų69.460%0.60238%0.381SS*.SBendtrans-85.4-11.5172.5-6099000112.4T259 R263 I264T259-W276 HydrophobicContact CG2-CH2 3.69Å; T259-W276 HydrophobicContact CG2-CZ3 4.13Å; R263-W276 HydrophobicContact CB-CZ3 3.92Å; I264-W276 VanDerWaalsContact O-CE3 3.28Å
277C73.3Confident80.3Confident90 Ų9071.6 Ų71.661%0.60839%0.392SS*.SBendtrans-93.6131.1-176.2-61.70000111.7Y266 T275 P279Y266-C277 VanDerWaalsContact CD2-O 3.23Å; Y266-C277 WeakPolarHBondContact CD2-O 3.32Å; T275-C277 VanDerWaalsContact C-N 3.34Å; T275-C277 VanDerWaalsContact CG2-O 3.29Å; T275-C277 WeakPolarHBondContact CG2-O 3.15Å; T275-C277 PolarHBondContact OG1-N 2.89Å; C277-P279 WeakPolarHBondContact O-CD 3.49Å
278K80.5Confident80.4Confident106 Ų10672.8 Ų72.846%0.46140%0.395SS..PPolyproline II helixtrans-63.2123.1177.9-172173.9177.9177.40110S249 L250 Y266S249-K278 WeakPolarHBondContact OG-CE 3.29Å; S249-K278 PolarHBondContact OG-NZ 3.13Å; L250-K278 HydrophobicContact CD2-CG 4.17Å; Y266-K278 HydrophobicContact CD2-CB 4.47Å; Y266-K278 HydrophobicContact CE1-CB 4.18Å; Y266-K278 HydrophobicContact CE1-CG 3.93Å; Y266-K278 HydrophobicContact CE2-CB 3.74Å; Y266-K278 HydrophobicContact CE2-CG 4.4Å; Y266-K278 VanDerWaalsContact CE2-N 3.29Å
279P74.1Confident80.4Confident15 Ų1577 Ų7710%0.09741%0.41CS..PPolyproline II helixtrans-66.3135.7178.129.4-38.3000110.8L250 P251 W254 C277L250-P279 HydrophobicContact CD2-CG 3.78Å; P251-P279 HydrophobicContact CG-CB 4.11Å; P251-P279 HydrophobicContact CG-CG 4.32Å; W254-P279 HydrophobicContact CB-CG 3.95Å; W254-P279 HydrophobicContact CD2-CB 3.53Å; W254-P279 HydrophobicContact CD2-CG 3.43Å; W254-P279 VanDerWaalsContact CD2-CG 3.43Å; W254-P279 VanDerWaalsContact CE2-CB 3.49Å; W254-P279 HydrophobicContact CE3-CB 3.88Å; W254-P279 HydrophobicContact CE3-CG 3.59Å; W254-P279 HydrophobicContact CG-CB 3.96Å; W254-P279 HydrophobicContact CG-CG 3.62Å; W254-P279 HydrophobicContact CH2-CB 4.08Å; W254-P279 HydrophobicContact CZ2-CB 3.78Å; W254-P279 HydrophobicContact CZ3-CB 4.13Å; W254-P279 HydrophobicContact CZ3-CG 4.19Å; C277-P279 WeakPolarHBondContact O-CD 3.49Å
280T74.4Confident80.4Confident106 Ų10676 Ų7665%0.6541%0.41SS*.PPolyproline II helixtrans-85.9142.6176.5520000111.2P251P251-T280 WeakPolarHBondContact CG-O 3.46Å
281P80.4Confident80.7Confident93 Ų9374.5 Ų74.560%0.60440%0.402SS*.PPolyproline II helixtrans-57.6145.9171.8-21.732.5000112
282L83.5Confident80.9Confident53 Ų5378.2 Ų78.228%0.27742%0.42SS..PPolyproline II helixtrans-70.1148.6173-62.1172.7000110.4W286 R288 Y298 P311L282-W286 HydrophobicContact CB-CB 4.12Å; L282-R288 HydrophobicContact CD1-CB 3.85Å; L282-Y298 HydrophobicContact CD1-CD1 4.3Å; L282-Y298 HydrophobicContact CD1-CE1 4.47Å; L282-Y298 HydrophobicContact CD2-CD1 3.88Å; L282-Y298 HydrophobicContact CD2-CE1 3.73Å; L282-P311 HydrophobicContact CD2-CG 3.86Å
283P85.1Confident80.7Confident28 Ų2875.3 Ų75.318%0.18242%0.415CS..PPolyproline II helixtrans-60.8155.1174.2-2133.5000112.1G285 W286 P311 L316P283-G285 PolarHBondContact O-N 3.3Å; P283-W286 WeakPolarHBondContact O-CB 3.23Å; P283-W286 PolarHBondContact O-N 3.17Å; P283-W286 VanDerWaalsContact O-N 3.13Å; P283-P311 VanDerWaalsContact CD-O 3.32Å; P283-P311 WeakPolarHBondContact CD-O 3.3Å; P283-P311 HydrophobicContact CG-CB 4.27Å; P283-L316 HydrophobicContact CB-CD1 3.73Å; P283-L316 HydrophobicContact CG-CD1 3.61Å
284P85.5Confident80.5Confident125 Ų12574 Ų7481%0.81242%0.416SS*.THydrogen-bonded Turntrans-54.7134.8178.7-25.734.6000112.8W286P284-W286 VanDerWaalsContact C-N 3.33Å
285G86Confident80Confident28 Ų2874.3 Ų74.329%0.28941%0.407SS..THydrogen-bonded Turntrans89.8-13.4-177.400000115.1P283 H301P283-G285 PolarHBondContact O-N 3.3Å; G285-H301 PolarHBondContact O-CD2 2.92Å; G285-H301 PolarHBondContact O-N 3.07Å
286W88.3Confident80.1Confident25 Ų2573.5 Ų73.510%0.09540%0.402CS..EExtended strand (participates in β ladder)trans-89.9134.8178.9-71.583.4000112.8L282 P283 P284 I299 D300 T307 P311 L316 M534L282-W286 HydrophobicContact CB-CB 4.12Å; P283-W286 WeakPolarHBondContact O-CB 3.23Å; P283-W286 PolarHBondContact O-N 3.17Å; P283-W286 VanDerWaalsContact O-N 3.13Å; P284-W286 VanDerWaalsContact C-N 3.33Å; W286-I299 CarbonylContact C-O 3.56Å; W286-I299 VanDerWaalsContact CA-O 3.29Å; W286-I299 WeakPolarHBondContact CA-O 3.15Å; W286-D300 HydrophobicContact CD2-CB 3.91Å; W286-D300 HydrophobicContact CE3-CB 4.05Å; W286-D300 HydrophobicContact CH2-CB 4.02Å; W286-D300 HydrophobicContact CZ2-CB 3.84Å; W286-D300 HydrophobicContact CZ3-CB 4.1Å; W286-T307 HydrophobicContact CH2-CG2 3.75Å; W286-T307 HydrophobicContact CZ3-CG2 3.65Å; W286-P311 HydrophobicContact CB-CG 4.02Å; W286-P311 HydrophobicContact CD2-CB 3.62Å; W286-P311 HydrophobicContact CD2-CG 3.52Å; W286-P311 HydrophobicContact CE3-CB 3.93Å; W286-P311 HydrophobicContact CE3-CG 3.63Å; W286-P311 HydrophobicContact CG-CB 4.07Å; W286-P311 HydrophobicContact CG-CG 3.74Å; W286-P311 HydrophobicContact CH2-CB 4.23Å; W286-P311 HydrophobicContact CZ2-CB 3.97Å; W286-P311 HydrophobicContact CZ3-CB 4.23Å; W286-P311 HydrophobicContact CZ3-CG 4.27Å; W286-L316 HydrophobicContact CZ2-CD2 3.81Å; W286-M534 HydrophobicContact CH2-CE 3.74Å; W286-M534 HydrophobicContact CH2-SD 4.03Å; W286-M534 HydrophobicContact CZ2-CE 3.89Å
287E87.5Confident80.1Confident71 Ų7168.5 Ų68.533%0.33238%0.383SS..EExtended strand (participates in β ladder)trans-123.3135.5174.1-171.3-171.6153.300110R289 Y298 I299 H301E287-R289 VanDerWaalsContact CD-NE 3.27Å; E287-R289 HydrophobicContact CG-CG 4.25Å; E287-R289 IonicContact OE1-CZ 3.54Å; E287-R289 IonicContact OE1-NE 3.45Å; E287-R289 PolarHBondContact OE1-NE 3.07Å; E287-R289 IonicContact OE1-NH2 3.49Å; E287-R289 PolarHBondContact OE1-NH2 2.85Å; E287-R289 IonicContact OE2-CZ 3.28Å; E287-R289 IonicContact OE2-NE 2.6Å; E287-R289 PolarHBondContact OE2-NE 2.8Å; E287-R289 IonicContact OE2-NH2 3.5Å; E287-R289 PolarHBondContact OE2-NH2 3.04Å; E287-Y298 CarbonylContact O-C 3.5Å; E287-Y298 WeakPolarHBondContact O-CA 3.46Å; E287-I299 PolarHBondContact N-O 2.92Å; E287-I299 PolarHBondContact O-N 2.81Å; E287-H301 WeakPolarHBondContact CB-NE2 3.47Å; E287-H301 IonicContact OE2-CD2 3.89Å; E287-H301 IonicContact OE2-CE1 2.68Å; E287-H301 PolarHBondContact OE2-CE1 2.86Å; E287-H301 IonicContact OE2-NE2 3.71Å; E287-H301 PolarHBondContact OE2-NE2 3.12Å
288R85.4Confident80.8Confident44 Ų4465.6 Ų65.617%0.16636%0.36CS..EExtended strand (participates in β ladder)trans-88.1126.2171-179.5174.969.7153.62.4109.6P252 D268 L270 L282 V296 Y298P252-R288 PolarHBondContact O-NH2 3.14Å; D268-R288 IonicContact OD1-CZ 3.88Å; D268-R288 IonicContact OD1-NH1 3.78Å; D268-R288 PolarHBondContact OD1-NH1 2.76Å; D268-R288 IonicContact OD1-NH2 3.97Å; D268-R288 PolarHBondContact OD1-NH2 3.09Å; D268-R288 VanDerWaalsContact OD1-NH2 3.17Å; D268-R288 IonicContact OD2-NH1 3.01Å; D268-R288 PolarHBondContact OD2-NH1 3.31Å; L270-R288 HydrophobicContact CD2-CG 3.71Å; L282-R288 HydrophobicContact CD1-CB 3.85Å; R288-V296 HydrophobicContact CG-CG1 3.47Å; R288-V296 VanDerWaalsContact CG-CG1 3.47Å; R288-Y298 HydrophobicContact CB-CD1 4.01Å; R288-Y298 HydrophobicContact CB-CE1 3.92Å; R288-Y298 HydrophobicContact CG-CD1 4.27Å; R288-Y298 HydrophobicContact CG-CE1 3.85Å
289R84.3Confident81.1Confident97 Ų9761.5 Ų61.537%0.36634%0.343SS..EExtended strand (participates in β ladder)trans-128.9172176.8-68.3-154.5-175.7148.63.6112E287 V296 Y297 I299E287-R289 VanDerWaalsContact CD-NE 3.27Å; E287-R289 HydrophobicContact CG-CG 4.25Å; E287-R289 IonicContact OE1-CZ 3.54Å; E287-R289 IonicContact OE1-NE 3.45Å; E287-R289 PolarHBondContact OE1-NE 3.07Å; E287-R289 IonicContact OE1-NH2 3.49Å; E287-R289 PolarHBondContact OE1-NH2 2.85Å; E287-R289 IonicContact OE2-CZ 3.28Å; E287-R289 IonicContact OE2-NE 2.6Å; E287-R289 PolarHBondContact OE2-NE 2.8Å; E287-R289 IonicContact OE2-NH2 3.5Å; E287-R289 PolarHBondContact OE2-NH2 3.04Å; R289-V296 WeakPolarHBondContact O-CA 3.36Å; R289-Y297 HydrophobicContact CB-CD1 4.13Å; R289-Y297 HydrophobicContact CB-CE1 3.52Å; R289-Y297 HydrophobicContact CB-CE2 4.24Å; R289-Y297 PolarHBondContact N-O 2.69Å; R289-Y297 PolarHBondContact O-N 3.42Å; R289-Y297 VanDerWaalsContact O-O 3.11Å; R289-I299 HydrophobicContact CB-CD1 4.45Å; R289-I299 HydrophobicContact CG-CD1 4.01Å
290T81.8Confident81.8Confident57 Ų5761.5 Ų61.535%0.3534%0.342SS..EExtended strand (participates in β ladder)trans-120.9141.9172.251.90000111.2L270 R295 V296 Y297L270-T290 HydrophobicContact CD1-CG2 3.59Å; L270-T290 HydrophobicContact CD2-CG2 3.9Å; L270-T290 HydrophobicContact CG-CG2 3.67Å; T290-R295 CarbonylContact C-O 3.54Å; T290-R295 WeakPolarHBondContact CA-O 3.42Å; T290-V296 HydrophobicContact CG2-CG2 4.13Å; T290-Y297 VanDerWaalsContact C-CE1 3.42Å
291D79.3Confident82.4Confident30 Ų3060.6 Ų60.616%0.1633%0.33CS..  trans-76.5-176.1170.973.43.5000111.9V293 G294 R295 Y297D291-V293 PolarHBondContact O-N 2.81Å; D291-V293 WeakPolarHBondContact OD1-CA 3.29Å; D291-V293 PolarHBondContact OD1-N 3.27Å; D291-G294 PolarHBondContact O-N 3.01Å; D291-G294 VanDerWaalsContact O-N 3.11Å; D291-G294 PolarHBondContact OD1-N 3.44Å; D291-R295 PolarHBondContact N-O 2.88Å; D291-R295 PolarHBondContact OD1-N 3.36Å; D291-R295 IonicContact OD1-NE 3.27Å; D291-R295 IonicContact OD2-CZ 3.03Å; D291-R295 IonicContact OD2-NE 3.81Å; D291-R295 PolarHBondContact OD2-NE 3.46Å; D291-R295 IonicContact OD2-NH2 2.86Å; D291-R295 PolarHBondContact OD2-NH2 2.91Å; D291-Y297 HydrophobicContact CB-CD1 4.5Å; D291-Y297 HydrophobicContact CB-CE1 4.47Å
292N78.2Confident82.6Confident135 Ų13562 Ų6272%0.72233%0.332SS*.THydrogen-bonded Turntrans-66.1-15178.360.2-20.1000114.4
293V74.9Confident82.5Confident105 Ų10562.5 Ų62.564%0.63634%0.337SS*.THydrogen-bonded Turntrans-98.6-3.1176.7-168.90000111D291D291-V293 PolarHBondContact O-N 2.81Å; D291-V293 WeakPolarHBondContact OD1-CA 3.29Å; D291-V293 PolarHBondContact OD1-N 3.27Å
294G72.2Confident82.4Confident45 Ų4569.8 Ų69.846%0.46436%0.362SS..  trans85.19.7-17900000114.1D291D291-G294 PolarHBondContact O-N 3.01Å; D291-G294 VanDerWaalsContact O-N 3.11Å; D291-G294 PolarHBondContact OD1-N 3.44Å
295R70.7Confident82.3Confident103 Ų10365.8 Ų65.839%0.38934%0.335SS..  trans-76.4139.3175.9-60.4177.3-63.4-165.95.9109.7T290 D291 W308 P558T290-R295 CarbonylContact C-O 3.54Å; T290-R295 WeakPolarHBondContact CA-O 3.42Å; D291-R295 PolarHBondContact N-O 2.88Å; D291-R295 PolarHBondContact OD1-N 3.36Å; D291-R295 IonicContact OD1-NE 3.27Å; D291-R295 IonicContact OD2-CZ 3.03Å; D291-R295 IonicContact OD2-NE 3.81Å; D291-R295 PolarHBondContact OD2-NE 3.46Å; D291-R295 IonicContact OD2-NH2 2.86Å; D291-R295 PolarHBondContact OD2-NH2 2.91Å; R295-W308 HydrophobicContact CB-CZ3 3.99Å; R295-P558 VanDerWaalsContact NH1-CG 3.29Å
296V76.9Confident82.2Confident29 Ų2968.3 Ų68.318%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-81.3135.6-179.3176.90000110.5L270 T271 R288 R289 T290 Y298L270-V296 HydrophobicContact CD2-CG1 4.4Å; L270-V296 HydrophobicContact CD2-CG2 3.75Å; L270-V296 HydrophobicContact CG-CG2 4.11Å; T271-V296 HydrophobicContact CG2-CG2 3.5Å; R288-V296 HydrophobicContact CG-CG1 3.47Å; R288-V296 VanDerWaalsContact CG-CG1 3.47Å; R289-V296 WeakPolarHBondContact O-CA 3.36Å; T290-V296 HydrophobicContact CG2-CG2 4.13Å; V296-Y298 HydrophobicContact CG1-CE2 4.09Å
297Y81Confident81.9Confident53 Ų5367.2 Ų67.221%0.20834%0.341CS..EExtended strand (participates in β ladder)trans-139.9167170.373.1-77.3000110R289 T290 D291 I299 T306R289-Y297 HydrophobicContact CB-CD1 4.13Å; R289-Y297 HydrophobicContact CB-CE1 3.52Å; R289-Y297 HydrophobicContact CB-CE2 4.24Å; R289-Y297 PolarHBondContact N-O 2.69Å; R289-Y297 PolarHBondContact O-N 3.42Å; R289-Y297 VanDerWaalsContact O-O 3.11Å; T290-Y297 VanDerWaalsContact C-CE1 3.42Å; D291-Y297 HydrophobicContact CB-CD1 4.5Å; D291-Y297 HydrophobicContact CB-CE1 4.47Å; Y297-I299 HydrophobicContact CD2-CD1 4.46Å; Y297-I299 HydrophobicContact CD2-CG1 3.92Å; Y297-I299 HydrophobicContact CE2-CD1 3.52Å; Y297-I299 HydrophobicContact CE2-CG1 3.45Å; Y297-I299 VanDerWaalsContact CE2-CG1 3.45Å; Y297-T306 HydrophobicContact CE2-CG2 4.45Å
298Y87.2Confident81.6Confident30 Ų3066.5 Ų66.512%0.11834%0.335CS..EExtended strand (participates in β ladder)trans-123.2138.8-173.9-56.9-92.7000110.3L282 E287 R288 V296 T306 T307 L309 C310 P311L282-Y298 HydrophobicContact CD1-CD1 4.3Å; L282-Y298 HydrophobicContact CD1-CE1 4.47Å; L282-Y298 HydrophobicContact CD2-CD1 3.88Å; L282-Y298 HydrophobicContact CD2-CE1 3.73Å; E287-Y298 CarbonylContact O-C 3.5Å; E287-Y298 WeakPolarHBondContact O-CA 3.46Å; R288-Y298 HydrophobicContact CB-CD1 4.01Å; R288-Y298 HydrophobicContact CB-CE1 3.92Å; R288-Y298 HydrophobicContact CG-CD1 4.27Å; R288-Y298 HydrophobicContact CG-CE1 3.85Å; V296-Y298 HydrophobicContact CG1-CE2 4.09Å; Y298-T306 CarbonylContact O-C 3.57Å; Y298-T306 WeakPolarHBondContact O-CA 3.38Å; Y298-T307 PolarHBondContact N-O 2.73Å; Y298-T307 PolarHBondContact O-N 3.29Å; Y298-L309 VanDerWaalsContact CD2-C 3.48Å; Y298-L309 WeakPolarHBondContact CD2-O 3.49Å; Y298-C310 HydrophobicContact CE1-CB 4.19Å; Y298-C310 HydrophobicContact CE2-CB 3.92Å; Y298-C310 VanDerWaalsContact CZ-CA 3.5Å; Y298-C310 WeakPolarHBondContact OH-CB 3.32Å; Y298-P311 VanDerWaalsContact CD1-CD 3.45Å; Y298-P311 HydrophobicContact CD1-CG 4.27Å; Y298-P311 HydrophobicContact CG-CG 4.48Å
299I86.9Confident81.2Confident20 Ų2067 Ų6710%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-121.4128.3-179.1-52.1-177.4000108.5W286 E287 R289 Y297 T305 T306W286-I299 CarbonylContact C-O 3.56Å; W286-I299 VanDerWaalsContact CA-O 3.29Å; W286-I299 WeakPolarHBondContact CA-O 3.15Å; E287-I299 PolarHBondContact N-O 2.92Å; E287-I299 PolarHBondContact O-N 2.81Å; R289-I299 HydrophobicContact CB-CD1 4.45Å; R289-I299 HydrophobicContact CG-CD1 4.01Å; Y297-I299 HydrophobicContact CD2-CD1 4.46Å; Y297-I299 HydrophobicContact CD2-CG1 3.92Å; Y297-I299 HydrophobicContact CE2-CD1 3.52Å; Y297-I299 HydrophobicContact CE2-CG1 3.45Å; Y297-I299 VanDerWaalsContact CE2-CG1 3.45Å; I299-T305 WeakPolarHBondContact CA-O 3.32Å; I299-T306 HydrophobicContact CB-CG2 4.44Å; I299-T306 HydrophobicContact CG1-CG2 3.97Å; I299-T306 HydrophobicContact CG2-CG2 4.3Å
300D87.9Confident81.1Confident14 Ų1465 Ų658%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-93.2113.3165.5178.86.3000109.6W286 N302 T303 R304 T305W286-D300 HydrophobicContact CD2-CB 3.91Å; W286-D300 HydrophobicContact CE3-CB 4.05Å; W286-D300 HydrophobicContact CH2-CB 4.02Å; W286-D300 HydrophobicContact CZ2-CB 3.84Å; W286-D300 HydrophobicContact CZ3-CB 4.1Å; D300-N302 VanDerWaalsContact C-N 3.28Å; D300-N302 PolarHBondContact O-N 2.76Å; D300-N302 VanDerWaalsContact OD1-CB 3.31Å; D300-N302 WeakPolarHBondContact OD1-CB 3.29Å; D300-N302 PolarHBondContact OD1-N 3.46Å; D300-N302 PolarHBondContact OD1-ND2 3.41Å; D300-T303 WeakPolarHBondContact CB-OG1 3.24Å; D300-T303 WeakPolarHBondContact OD2-CB 3.28Å; D300-T303 VanDerWaalsContact OD2-CG2 3.24Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.25Å; D300-T303 PolarHBondContact OD2-OG1 2.74Å; D300-R304 WeakPolarHBondContact O-CA 3.31Å; D300-R304 PolarHBondContact O-N 2.94Å; D300-T305 PolarHBondContact N-O 2.9Å; D300-T305 PolarHBondContact O-N 3.07Å
301H87.3Confident81Confident87 Ų8762.5 Ų62.540%0.40333%0.326SS..THydrogen-bonded Turntrans-70.1-23.8179.3-71.1-77.1000113.8G285 E287G285-H301 PolarHBondContact O-CD2 2.92Å; G285-H301 PolarHBondContact O-N 3.07Å; E287-H301 WeakPolarHBondContact CB-NE2 3.47Å; E287-H301 IonicContact OE2-CD2 3.89Å; E287-H301 IonicContact OE2-CE1 2.68Å; E287-H301 PolarHBondContact OE2-CE1 2.86Å; E287-H301 IonicContact OE2-NE2 3.71Å; E287-H301 PolarHBondContact OE2-NE2 3.12Å
302N84.7Confident81.1Confident123 Ų12365 Ų6566%0.65834%0.339SS*.THydrogen-bonded Turntrans-74.2-47.5-179-59.3-41.8000110.5D300D300-N302 VanDerWaalsContact C-N 3.28Å; D300-N302 PolarHBondContact O-N 2.76Å; D300-N302 VanDerWaalsContact OD1-CB 3.31Å; D300-N302 WeakPolarHBondContact OD1-CB 3.29Å; D300-N302 PolarHBondContact OD1-N 3.46Å; D300-N302 PolarHBondContact OD1-ND2 3.41Å
303T81.7Confident81.2Confident63 Ų6364.6 Ų64.639%0.38733%0.333SS..THydrogen-bonded Turntrans-95.1-8.4-178.763.40000113.3D300 T305D300-T303 WeakPolarHBondContact CB-OG1 3.24Å; D300-T303 WeakPolarHBondContact OD2-CB 3.28Å; D300-T303 VanDerWaalsContact OD2-CG2 3.24Å; D300-T303 WeakPolarHBondContact OD2-CG2 3.25Å; D300-T303 PolarHBondContact OD2-OG1 2.74Å; T303-T305 PolarHBondContact O-N 2.82Å; T303-T305 WeakPolarHBondContact OG1-CG2 3.48Å; T303-T305 PolarHBondContact OG1-OG1 3.45Å
304R83.6Confident81.4Confident182 Ų18264.3 Ų64.369%0.68733%0.332SS*.THydrogen-bonded Turntrans55.333-172.9-55.4-178.9-178.9173.83.4112.7D300D300-R304 WeakPolarHBondContact O-CA 3.31Å; D300-R304 PolarHBondContact O-N 2.94Å
305T81.8Confident81.8Confident40 Ų4063 Ų6325%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-99.7159.6177.6610000110.8I299 D300 T303I299-T305 WeakPolarHBondContact CA-O 3.32Å; D300-T305 PolarHBondContact N-O 2.9Å; D300-T305 PolarHBondContact O-N 3.07Å; T303-T305 PolarHBondContact O-N 2.82Å; T303-T305 WeakPolarHBondContact OG1-CG2 3.48Å; T303-T305 PolarHBondContact OG1-OG1 3.45Å
306T84.6Confident82.5Confident81 Ų8160 Ų6050%0.49731%0.305SS..EExtended strand (participates in β ladder)trans-130.6147.7176.560.10000110.3Y297 Y298 I299Y297-T306 HydrophobicContact CE2-CG2 4.45Å; Y298-T306 CarbonylContact O-C 3.57Å; Y298-T306 WeakPolarHBondContact O-CA 3.38Å; I299-T306 HydrophobicContact CB-CG2 4.44Å; I299-T306 HydrophobicContact CG1-CG2 3.97Å; I299-T306 HydrophobicContact CG2-CG2 4.3Å
307T82.4Confident82.8Confident3 Ų361.8 Ų61.82%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-145.2157.8171.3-174.70000111.1W286 Y298 L309 L315 M534W286-T307 HydrophobicContact CH2-CG2 3.75Å; W286-T307 HydrophobicContact CZ3-CG2 3.65Å; Y298-T307 PolarHBondContact N-O 2.73Å; Y298-T307 PolarHBondContact O-N 3.29Å; T307-L309 VanDerWaalsContact CG2-O 3.27Å; T307-L309 WeakPolarHBondContact CG2-O 3.35Å; T307-L309 PolarHBondContact OG1-N 2.7Å; T307-L315 HydrophobicContact CG2-CD2 4.36Å; T307-M534 WeakPolarHBondContact CB-O 3.3Å; T307-M534 HydrophobicContact CG2-SD 3.9Å; T307-M534 PolarHBondContact OG1-O 3.35Å
308W81.2Confident82.8Confident56 Ų5661.8 Ų61.821%0.21232%0.319CS..SBendtrans-87.5-14.2175.2-63.5101.5000112.7R295 V556 N557 P558R295-W308 HydrophobicContact CB-CZ3 3.99Å; W308-V556 HydrophobicContact CB-CG1 3.61Å; W308-V556 WeakPolarHBondContact CB-O 3.03Å; W308-V556 WeakPolarHBondContact O-CG1 3.38Å; W308-N557 HydrophobicContact CG-CB 4.45Å; W308-P558 VanDerWaalsContact CE2-CD 3.46Å; W308-P558 HydrophobicContact CH2-CG 3.97Å; W308-P558 HydrophobicContact CZ2-CG 3.69Å; W308-P558 HydrophobicContact CZ3-CG 4.49Å
309L77.4Confident82.6Confident53 Ų5360.9 Ų60.928%0.27732%0.317SS..SBendtrans-88141.8176.2-72.8171.8000111.7Y298 T307 P311 L315 C536 V556Y298-L309 VanDerWaalsContact CD2-C 3.48Å; Y298-L309 WeakPolarHBondContact CD2-O 3.49Å; T307-L309 VanDerWaalsContact CG2-O 3.27Å; T307-L309 WeakPolarHBondContact CG2-O 3.35Å; T307-L309 PolarHBondContact OG1-N 2.7Å; L309-P311 WeakPolarHBondContact O-CD 3.42Å; L309-L315 HydrophobicContact CB-CD2 3.99Å; L309-C536 HydrophobicContact CD1-CB 4.34Å; L309-C536 WeakPolarHBondContact CD1-SG 3.33Å; L309-C536 VanDerWaalsContact CG-SG 3.58Å; L309-V556 HydrophobicContact CD2-CB 4.36Å; L309-V556 HydrophobicContact CD2-CG1 3.91Å; L309-V556 HydrophobicContact CD2-CG2 4.19Å; L309-V556 HydrophobicContact CG-CG1 4.23Å
310C81.3Confident82.5Confident55 Ų5564.8 Ų64.837%0.37234%0.335SS..  trans-62.5121.6171.2-170.90000109.4Y298 N312Y298-C310 HydrophobicContact CE1-CB 4.19Å; Y298-C310 HydrophobicContact CE2-CB 3.92Å; Y298-C310 VanDerWaalsContact CZ-CA 3.5Å; Y298-C310 WeakPolarHBondContact OH-CB 3.32Å; C310-N312 PolarHBondContact O-N 3.24Å
311P80.7Confident82.2Confident6 Ų668.1 Ų68.14%0.03935%0.353CS..  trans-66108.6-178.328.3-36.4000109.7L282 P283 W286 Y298 L309L282-P311 HydrophobicContact CD2-CG 3.86Å; P283-P311 VanDerWaalsContact CD-O 3.32Å; P283-P311 WeakPolarHBondContact CD-O 3.3Å; P283-P311 HydrophobicContact CG-CB 4.27Å; W286-P311 HydrophobicContact CB-CG 4.02Å; W286-P311 HydrophobicContact CD2-CB 3.62Å; W286-P311 HydrophobicContact CD2-CG 3.52Å; W286-P311 HydrophobicContact CE3-CB 3.93Å; W286-P311 HydrophobicContact CE3-CG 3.63Å; W286-P311 HydrophobicContact CG-CB 4.07Å; W286-P311 HydrophobicContact CG-CG 3.74Å; W286-P311 HydrophobicContact CH2-CB 4.23Å; W286-P311 HydrophobicContact CZ2-CB 3.97Å; W286-P311 HydrophobicContact CZ3-CB 4.23Å; W286-P311 HydrophobicContact CZ3-CG 4.27Å; Y298-P311 VanDerWaalsContact CD1-CD 3.45Å; Y298-P311 HydrophobicContact CD1-CG 4.27Å; Y298-P311 HydrophobicContact CG-CG 4.48Å; L309-P311 WeakPolarHBondContact O-CD 3.42Å
312N81Confident82Confident83 Ų8364.5 Ų64.544%0.44434%0.336SS..  trans-110.5169.9170.767.420.8000109.9C310 T314 L315 L316C310-N312 PolarHBondContact O-N 3.24Å; N312-T314 PolarHBondContact O-N 3.05Å; N312-T314 WeakPolarHBondContact OD1-CB 3.29Å; N312-T314 PolarHBondContact OD1-N 3.41Å; N312-L315 PolarHBondContact O-N 3.33Å; N312-L315 WeakPolarHBondContact OD1-CB 3.49Å; N312-L315 PolarHBondContact OD1-N 3.12Å; N312-L316 WeakPolarHBondContact O-CG 3.32Å; N312-L316 PolarHBondContact O-N 3.28Å
313Q80.5Confident82Confident125 Ų12563.3 Ų63.358%0.58433%0.326SS*.Hα-helixtrans-58-36.1-178.2-169.861.349.800112.3L316 N317Q313-L316 PolarHBondContact O-N 3.49Å; Q313-N317 PolarHBondContact NE2-OD1 3.07Å; Q313-N317 WeakPolarHBondContact O-CB 3.45Å; Q313-N317 PolarHBondContact O-N 3.3Å; Q313-N317 PolarHBondContact O-ND2 3.12Å; Q313-N317 PolarHBondContact O-OD1 2.86Å
314T79Confident82.1Confident100 Ų10065.8 Ų65.861%0.61333%0.333SS*.Hα-helixtrans-61.9-50.5177.9-51.50000111.5N312 L316 N317 T318N312-T314 PolarHBondContact O-N 3.05Å; N312-T314 WeakPolarHBondContact OD1-CB 3.29Å; N312-T314 PolarHBondContact OD1-N 3.41Å; T314-L316 VanDerWaalsContact C-N 3.35Å; T314-L316 PolarHBondContact O-N 3.4Å; T314-N317 PolarHBondContact O-N 2.82Å; T314-T318 PolarHBondContact O-N 3.06Å; T314-T318 PolarHBondContact O-OG1 3.1Å
315L80.2Confident81.9Confident17 Ų1758.7 Ų58.79%0.08931%0.308CS..Hα-helixtrans-61-43.8177.8-179.861.6000111.3T307 L309 N312 N317 T318 V319 P533T307-L315 HydrophobicContact CG2-CD2 4.36Å; L309-L315 HydrophobicContact CB-CD2 3.99Å; N312-L315 PolarHBondContact O-N 3.33Å; N312-L315 WeakPolarHBondContact OD1-CB 3.49Å; N312-L315 PolarHBondContact OD1-N 3.12Å; L315-N317 PolarHBondContact O-N 2.99Å; L315-T318 WeakPolarHBondContact O-CB 3.45Å; L315-T318 PolarHBondContact O-N 3.21Å; L315-V319 HydrophobicContact CD1-CG2 4.21Å; L315-V319 HydrophobicContact CG-CG2 4.36Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 2.85Å; L315-P533 HydrophobicContact CD1-CB 4.11Å
316L84.3Confident81.8Confident39 Ų3957.4 Ų57.420%0.20430%0.3CS..Hα-helixtrans-62.5-41.9179-67.1-175.9000112.5P283 W286 N312 Q313 T314 T318 V319 Q320P283-L316 HydrophobicContact CB-CD1 3.73Å; P283-L316 HydrophobicContact CG-CD1 3.61Å; W286-L316 HydrophobicContact CZ2-CD2 3.81Å; N312-L316 WeakPolarHBondContact O-CG 3.32Å; N312-L316 PolarHBondContact O-N 3.28Å; Q313-L316 PolarHBondContact O-N 3.49Å; T314-L316 VanDerWaalsContact C-N 3.35Å; T314-L316 PolarHBondContact O-N 3.4Å; L316-T318 VanDerWaalsContact C-N 3.34Å; L316-V319 PolarHBondContact O-N 2.84Å; L316-Q320 WeakPolarHBondContact O-CB 3.12Å; L316-Q320 PolarHBondContact O-N 3.27Å
317N84.1Confident81.7Confident68 Ų6856.7 Ų56.736%0.36430%0.303SS..Hα-helixtrans-62.2-43.6174.8-69-9.9000110.9Q313 T314 L315 V319 Q320 N321Q313-N317 PolarHBondContact NE2-OD1 3.07Å; Q313-N317 WeakPolarHBondContact O-CB 3.45Å; Q313-N317 PolarHBondContact O-N 3.3Å; Q313-N317 PolarHBondContact O-ND2 3.12Å; Q313-N317 PolarHBondContact O-OD1 2.86Å; T314-N317 PolarHBondContact O-N 2.82Å; L315-N317 PolarHBondContact O-N 2.99Å; N317-V319 PolarHBondContact O-N 3.41Å; N317-Q320 PolarHBondContact O-N 2.81Å; N317-N321 WeakPolarHBondContact O-CB 3.47Å; N317-N321 PolarHBondContact O-N 3.03Å; N317-N321 PolarHBondContact O-ND2 3.05Å
318T80.7Confident81.4Confident52 Ų5259.9 Ų59.932%0.31933%0.325SS..Hα-helixtrans-61.5-43.2177.1-56.60000111.9T314 L315 L316 N321 Y322 P533T314-T318 PolarHBondContact O-N 3.06Å; T314-T318 PolarHBondContact O-OG1 3.1Å; L315-T318 WeakPolarHBondContact O-CB 3.45Å; L315-T318 PolarHBondContact O-N 3.21Å; L316-T318 VanDerWaalsContact C-N 3.34Å; T318-N321 PolarHBondContact O-N 2.98Å; T318-Y322 WeakPolarHBondContact O-CB 3.18Å; T318-Y322 PolarHBondContact O-N 3.13Å; T318-P533 HydrophobicContact CG2-CB 4.24Å; T318-P533 HydrophobicContact CG2-CG 3.81Å
319V83.5Confident81.3Confident12 Ų1258.1 Ų58.17%0.07332%0.319CS..Hα-helixtrans-65.2-42.9177.4169.80000111.2L315 L316 N317 N321 Y322 Q323 P533 M534L315-V319 HydrophobicContact CD1-CG2 4.21Å; L315-V319 HydrophobicContact CG-CG2 4.36Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 2.85Å; L316-V319 PolarHBondContact O-N 2.84Å; N317-V319 PolarHBondContact O-N 3.41Å; V319-N321 PolarHBondContact O-N 3.4Å; V319-Y322 WeakPolarHBondContact O-CB 3.36Å; V319-Y322 PolarHBondContact O-N 2.81Å; V319-Q323 WeakPolarHBondContact O-CG 3.41Å; V319-Q323 PolarHBondContact O-N 2.76Å; V319-P533 HydrophobicContact CG2-CB 3.99Å; V319-P533 HydrophobicContact CG2-CG 4.17Å; V319-M534 HydrophobicContact CB-CE 4.07Å; V319-M534 HydrophobicContact CG1-CE 3.68Å; V319-M534 HydrophobicContact CG2-CE 3.36Å; V319-M534 HydrophobicContact CG2-SD 4.08Å
320Q85Confident81.2Confident102 Ų10259.4 Ų59.448%0.47733%0.326SS..Hα-helixtrans-62.4-43.5177-173.9179.38.300111.4L316 N317 Q323 Q324L316-Q320 WeakPolarHBondContact O-CB 3.12Å; L316-Q320 PolarHBondContact O-N 3.27Å; N317-Q320 PolarHBondContact O-N 2.81Å; Q320-Q323 PolarHBondContact O-N 2.96Å; Q320-Q324 WeakPolarHBondContact O-CG 3.44Å; Q320-Q324 PolarHBondContact O-N 2.71Å
321N81.5Confident80.9Confident83 Ų8360.1 Ų60.144%0.44434%0.343SS..Hα-helixtrans-61.8-43.4175.2-70.9-18.1000111.5N317 T318 V319 Q323 Q324 M325N317-N321 WeakPolarHBondContact O-CB 3.47Å; N317-N321 PolarHBondContact O-N 3.03Å; N317-N321 PolarHBondContact O-ND2 3.05Å; T318-N321 PolarHBondContact O-N 2.98Å; V319-N321 PolarHBondContact O-N 3.4Å; N321-Q323 PolarHBondContact O-N 3.29Å; N321-Q324 PolarHBondContact O-N 2.65Å; N321-M325 WeakPolarHBondContact O-CB 3.47Å; N321-M325 PolarHBondContact O-N 3.04Å
322Y83.3Confident80.8Confident11 Ų1162.1 Ų62.14%0.04335%0.352CS..Hα-helixtrans-59.1-44.6174.3166.2-97.3000112.2T318 V319 M325 T326 T528 E529 L531 N532 P533T318-Y322 WeakPolarHBondContact O-CB 3.18Å; T318-Y322 PolarHBondContact O-N 3.13Å; V319-Y322 WeakPolarHBondContact O-CB 3.36Å; V319-Y322 PolarHBondContact O-N 2.81Å; Y322-M325 PolarHBondContact O-N 2.8Å; Y322-T326 WeakPolarHBondContact O-CB 2.87Å; Y322-T326 PolarHBondContact O-N 2.85Å; Y322-T326 PolarHBondContact O-OG1 3.49Å; Y322-T528 HydrophobicContact CE2-CG2 4.41Å; Y322-T528 WeakPolarHBondContact CE2-O 3.12Å; Y322-T528 PolarHBondContact OH-O 3.11Å; Y322-E529 WeakPolarHBondContact OH-CA 3.17Å; Y322-L531 HydrophobicContact CD2-CB 4.36Å; Y322-L531 HydrophobicContact CE2-CB 4.02Å; Y322-N532 HydrophobicContact CE1-CB 3.89Å; Y322-N532 HydrophobicContact CE2-CB 4.41Å; Y322-P533 HydrophobicContact CG-CG 4.47Å
323Q85.1Confident80.7Confident99 Ų9958.7 Ų58.746%0.46333%0.334SS..Hα-helixtrans-63.9-44.4178.6-73.9174.7-6.900112.1V319 Q320 N321 T326 A327V319-Q323 WeakPolarHBondContact O-CG 3.41Å; V319-Q323 PolarHBondContact O-N 2.76Å; Q320-Q323 PolarHBondContact O-N 2.96Å; N321-Q323 PolarHBondContact O-N 3.29Å; Q323-T326 PolarHBondContact O-N 2.67Å; Q323-A327 WeakPolarHBondContact O-CB 3.01Å; Q323-A327 PolarHBondContact O-N 2.6Å
324Q82.9Confident80.7Confident114 Ų11457.6 Ų57.653%0.53333%0.329SS..Hα-helixtrans-62.5-43.7176.3-70.4176.817.200111.7Q320 N321 A327 S328Q320-Q324 WeakPolarHBondContact O-CG 3.44Å; Q320-Q324 PolarHBondContact O-N 2.71Å; N321-Q324 PolarHBondContact O-N 2.65Å; Q324-A327 PolarHBondContact O-N 3.45Å; Q324-S328 PolarHBondContact O-N 2.97Å
325M78.6Confident80.9Confident33 Ų3359.5 Ų59.516%0.16333%0.331CS..Hα-helixtrans-60.2-48176.4-173.3-167.6-52.600111.1N321 Y322 A327 S328 R329 Y540 N545N321-M325 WeakPolarHBondContact O-CB 3.47Å; N321-M325 PolarHBondContact O-N 3.04Å; Y322-M325 PolarHBondContact O-N 2.8Å; M325-A327 PolarHBondContact O-N 2.69Å; M325-S328 PolarHBondContact O-N 2.76Å; M325-R329 WeakPolarHBondContact O-CB 3.49Å; M325-R329 WeakPolarHBondContact O-CG 3.38Å; M325-R329 PolarHBondContact O-N 3.41Å; M325-R329 PolarHBondContact SD-NH2 2.61Å; M325-Y540 WeakPolarHBondContact CE-OH 3.48Å; M325-N545 HydrophobicContact CE-CB 3.74Å
326T80.9Confident80.9Confident13 Ų1360.1 Ų60.18%0.0833%0.332CS..Hα-helixtrans-63.8-41.8-179.8-57.40000111.5Y322 Q323 R329 N330 T528Y322-T326 WeakPolarHBondContact O-CB 2.87Å; Y322-T326 PolarHBondContact O-N 2.85Å; Y322-T326 PolarHBondContact O-OG1 3.49Å; Q323-T326 PolarHBondContact O-N 2.67Å; T326-R329 PolarHBondContact O-N 3.24Å; T326-N330 WeakPolarHBondContact O-CB 3.36Å; T326-N330 VanDerWaalsContact O-CG 3.29Å; T326-N330 PolarHBondContact O-N 3.45Å; T326-N330 PolarHBondContact O-ND2 2.93Å; T326-T528 HydrophobicContact CG2-CG2 3.95Å
327A81.7Confident80.9Confident66 Ų6658.4 Ų58.455%0.54532%0.323SS..Hα-helixtrans-62.4-47.4176.600000112.5Q323 Q324 M325 R329 N330Q323-A327 WeakPolarHBondContact O-CB 3.01Å; Q323-A327 PolarHBondContact O-N 2.6Å; Q324-A327 PolarHBondContact O-N 3.45Å; M325-A327 PolarHBondContact O-N 2.69Å; A327-R329 VanDerWaalsContact C-N 3.31Å; A327-R329 PolarHBondContact O-N 3.38Å; A327-N330 PolarHBondContact O-N 3.12Å
328S77.2Confident80.9Confident71 Ų7159 Ų5950%0.49733%0.326SS..Hα-helixtrans-61-40.9176.1176.90000111.8Q324 M325Q324-S328 PolarHBondContact O-N 2.97Å; M325-S328 PolarHBondContact O-N 2.76Å
329R77.4Confident81Confident18 Ų1859.7 Ų59.77%0.06833%0.326CS..Hα-helixtrans-69.8-38.3-178.9-77.2-178.7177.8-175.50.7113.5M325 T326 A327 G331 I332 M333 R336 N583 V765M325-R329 WeakPolarHBondContact O-CB 3.49Å; M325-R329 WeakPolarHBondContact O-CG 3.38Å; M325-R329 PolarHBondContact O-N 3.41Å; M325-R329 PolarHBondContact SD-NH2 2.61Å; T326-R329 PolarHBondContact O-N 3.24Å; A327-R329 VanDerWaalsContact C-N 3.31Å; A327-R329 PolarHBondContact O-N 3.38Å; R329-G331 VanDerWaalsContact C-N 3.29Å; R329-G331 PolarHBondContact O-N 2.82Å; R329-I332 PolarHBondContact O-N 3.29Å; R329-M333 WeakPolarHBondContact O-CA 3.24Å; R329-M333 WeakPolarHBondContact O-CB 3.34Å; R329-M333 PolarHBondContact O-N 3.47Å; R329-R336 VanDerWaalsContact CB-NH2 3.25Å; R329-R336 PolarHBondContact O-NH2 3.08Å; R329-R336 VanDerWaalsContact O-NH2 3.12Å; R329-N583 PolarHBondContact NH1-OD1 2.96Å; R329-V765 HydrophobicContact CG-CG2 4.47Å
330N76.9Confident81.1Confident80 Ų8059.3 Ų59.343%0.42832%0.323SS..Hα-helixtrans-60.5-38.3179.2-82-23.9000112.1T326 A327 I332 M333T326-N330 WeakPolarHBondContact O-CB 3.36Å; T326-N330 VanDerWaalsContact O-CG 3.29Å; T326-N330 PolarHBondContact O-N 3.45Å; T326-N330 PolarHBondContact O-ND2 2.93Å; A327-N330 PolarHBondContact O-N 3.12Å; N330-I332 PolarHBondContact O-N 2.96Å; N330-M333 PolarHBondContact O-N 3.31Å
331G75Confident81.1Confident71 Ų7155.9 Ų55.973%0.73231%0.306SS*.Hα-helixtrans-62.8-26.8-179.100000114.6R329R329-G331 VanDerWaalsContact C-N 3.29Å; R329-G331 PolarHBondContact O-N 2.82Å
332I77.8Confident81Confident47 Ų4755.6 Ų55.624%0.24132%0.315CS..THydrogen-bonded Turntrans-119.49.1-178.664.9144.2000113.3R329 N330 Q334 Q335 R336 V765R329-I332 PolarHBondContact O-N 3.29Å; N330-I332 PolarHBondContact O-N 2.96Å; I332-Q334 PolarHBondContact O-N 3.29Å; I332-Q335 PolarHBondContact O-N 2.78Å; I332-R336 HydrophobicContact CD1-CG 3.96Å; I332-R336 PolarHBondContact O-N 2.89Å; I332-R336 VanDerWaalsContact O-N 3.09Å; I332-V765 HydrophobicContact CD1-CB 3.84Å; I332-V765 HydrophobicContact CD1-CG1 3.19Å; I332-V765 HydrophobicContact CD1-CG2 3.61Å; I332-V765 HydrophobicContact CG1-CG1 3.99Å; I332-V765 HydrophobicContact CG1-CG2 4.42Å
333M79.8Confident80.7Confident12 Ų1256 Ų566%0.05932%0.318CS..Hα-helixtrans-60.9-47.3-174.1174.3178.6151.600111.1R329 N330 Q335 R336 M337 E521 F524 K525R329-M333 WeakPolarHBondContact O-CA 3.24Å; R329-M333 WeakPolarHBondContact O-CB 3.34Å; R329-M333 PolarHBondContact O-N 3.47Å; N330-M333 PolarHBondContact O-N 3.31Å; M333-Q335 VanDerWaalsContact C-N 3.3Å; M333-Q335 PolarHBondContact O-N 2.84Å; M333-R336 PolarHBondContact O-N 3.32Å; M333-M337 VanDerWaalsContact O-CB 3.28Å; M333-M337 WeakPolarHBondContact O-CB 3.32Å; M333-M337 PolarHBondContact O-N 3.07Å; M333-E521 HydrophobicContact CE-CB 4.34Å; M333-E521 HydrophobicContact CE-CG 3.62Å; M333-E521 WeakPolarHBondContact CE-O 3.35Å; M333-F524 HydrophobicContact CE-CB 3.18Å; M333-F524 HydrophobicContact CE-CG 4.1Å; M333-F524 HydrophobicContact CG-CB 4.43Å; M333-F524 HydrophobicContact CG-CD1 4.26Å; M333-F524 HydrophobicContact SD-CB 4.1Å; M333-K525 HydrophobicContact CE-CG 3.68Å; M333-K525 HydrophobicContact SD-CG 3.65Å
334Q80.9Confident80.1Confident101 Ų10151.7 Ų51.747%0.47230%0.299SS..Hα-helixtrans-60.1-41.3-179-168.566.919.500111.8I332 M337 N338I332-Q334 PolarHBondContact O-N 3.29Å; Q334-M337 VanDerWaalsContact NE2-CE 3.33Å; Q334-N338 WeakPolarHBondContact O-CB 3.45Å; Q334-N338 PolarHBondContact O-N 3.33Å; Q334-N338 PolarHBondContact O-OD1 2.82Å
335Q82.6Confident79Confident140 Ų14051.1 Ų51.165%0.65430%0.303SS*.Hα-helixtrans-64-50.1178-175.8-179.4-1.100111.3I332 M333 M337 N338 E339I332-Q335 PolarHBondContact O-N 2.78Å; M333-Q335 VanDerWaalsContact C-N 3.3Å; M333-Q335 PolarHBondContact O-N 2.84Å; Q335-M337 VanDerWaalsContact C-N 3.34Å; Q335-M337 PolarHBondContact O-N 2.87Å; Q335-N338 PolarHBondContact O-N 3.2Å; Q335-E339 WeakPolarHBondContact O-CB 3.46Å; Q335-E339 PolarHBondContact O-N 3.01Å
336R80.8Confident78.1Confident31 Ų3151.5 Ų51.512%0.11730%0.303CS..Hα-helixtrans-61-43.1178-78.7-172.5-71152.13.4112.2R329 I332 M333 E339 R340 D582R329-R336 VanDerWaalsContact CB-NH2 3.25Å; R329-R336 PolarHBondContact O-NH2 3.08Å; R329-R336 VanDerWaalsContact O-NH2 3.12Å; I332-R336 HydrophobicContact CD1-CG 3.96Å; I332-R336 PolarHBondContact O-N 2.89Å; I332-R336 VanDerWaalsContact O-N 3.09Å; M333-R336 PolarHBondContact O-N 3.32Å; R336-E339 PolarHBondContact O-N 3.36Å; R336-R340 WeakPolarHBondContact O-CG 3.02Å; R336-R340 PolarHBondContact O-N 3.41Å; R336-D582 IonicContact CZ-OD1 3.96Å; R336-D582 IonicContact CZ-OD2 3.81Å; R336-D582 VanDerWaalsContact NH1-CG 3.35Å; R336-D582 IonicContact NH1-OD1 2.86Å; R336-D582 PolarHBondContact NH1-OD1 3.4Å; R336-D582 IonicContact NH1-OD2 3.73Å; R336-D582 PolarHBondContact NH1-OD2 3.05Å; R336-D582 IonicContact NH2-OD2 3.49Å; R336-D582 PolarHBondContact NH2-OD2 3.09Å
337M83.3Confident76.8Confident2 Ų252 Ų521%0.0131%0.305CS..Hα-helixtrans-58.1-55.1176.6-174.8179.876.600110.1M333 Q334 Q335 E339 R340 Y341 R520 F524M333-M337 VanDerWaalsContact O-CB 3.28Å; M333-M337 WeakPolarHBondContact O-CB 3.32Å; M333-M337 PolarHBondContact O-N 3.07Å; Q334-M337 VanDerWaalsContact NE2-CE 3.33Å; Q335-M337 VanDerWaalsContact C-N 3.34Å; Q335-M337 PolarHBondContact O-N 2.87Å; M337-E339 VanDerWaalsContact C-N 3.3Å; M337-E339 PolarHBondContact O-N 3.45Å; M337-R340 PolarHBondContact O-N 2.87Å; M337-Y341 HydrophobicContact CG-CD2 3.8Å; M337-Y341 HydrophobicContact CG-CE2 3.62Å; M337-Y341 WeakPolarHBondContact O-CD2 3.25Å; M337-Y341 PolarHBondContact O-N 2.9Å; M337-R520 HydrophobicContact CE-CB 4.09Å; M337-R520 HydrophobicContact CG-CB 4.22Å; M337-R520 VanDerWaalsContact SD-C 3.5Å; M337-R520 HydrophobicContact SD-CB 3.41Å; M337-R520 WeakPolarHBondContact SD-CB 3.3Å; M337-F524 HydrophobicContact CB-CD2 4.35Å; M337-F524 HydrophobicContact CB-CE1 4.3Å; M337-F524 HydrophobicContact CB-CE2 4.02Å; M337-F524 HydrophobicContact CB-CZ 4Å; M337-F524 HydrophobicContact CG-CD2 3.89Å; M337-F524 HydrophobicContact CG-CE2 3.66Å; M337-F524 HydrophobicContact CG-CZ 4.16Å; M337-F524 HydrophobicContact SD-CD2 4.17Å
338N83.2Confident74.9Confident81 Ų8154.9 Ų54.943%0.43331%0.311SS..Hα-helixtrans-57-42.6179-72.2-4.6000112.3Q334 Q335 Y341 A342Q334-N338 WeakPolarHBondContact O-CB 3.45Å; Q334-N338 PolarHBondContact O-N 3.33Å; Q334-N338 PolarHBondContact O-OD1 2.82Å; Q335-N338 PolarHBondContact O-N 3.2Å; N338-Y341 PolarHBondContact O-N 3.48Å; N338-A342 VanDerWaalsContact O-CB 3.29Å; N338-A342 WeakPolarHBondContact O-CB 3.25Å; N338-A342 PolarHBondContact O-N 3.3Å
339E83.9Confident73.1Confident67 Ų6754.9 Ų54.931%0.31332%0.322SS..Hα-helixtrans-61.1-47.8177.7-165.4-158.7145.700111.8Q335 R336 M337 Y341 A342 N343 Q713Q335-E339 WeakPolarHBondContact O-CB 3.46Å; Q335-E339 PolarHBondContact O-N 3.01Å; R336-E339 PolarHBondContact O-N 3.36Å; M337-E339 VanDerWaalsContact C-N 3.3Å; M337-E339 PolarHBondContact O-N 3.45Å; E339-Y341 PolarHBondContact O-N 3.38Å; E339-A342 PolarHBondContact O-N 3.4Å; E339-N343 WeakPolarHBondContact O-CB 3.32Å; E339-N343 PolarHBondContact O-N 2.96Å; E339-N343 PolarHBondContact O-ND2 3.48Å; E339-N343 VanDerWaalsContact O-ND2 3.12Å; E339-Q713 PolarHBondContact OE1-N 2.94Å
340R85.4Confident71.3Confident3 Ų357.6 Ų57.61%0.01134%0.335CS..Hα-helixtrans-63.5-40.3179.3-67.4-166.7-161.81645.9112.3R336 M337 N343 A344 F580 I581 D582 C709 Q712R336-R340 WeakPolarHBondContact O-CG 3.02Å; R336-R340 PolarHBondContact O-N 3.41Å; M337-R340 PolarHBondContact O-N 2.87Å; R340-N343 PolarHBondContact O-N 3.08Å; R340-A344 VanDerWaalsContact O-CB 3.32Å; R340-A344 WeakPolarHBondContact O-CB 3.31Å; R340-A344 PolarHBondContact O-N 2.87Å; R340-A344 VanDerWaalsContact O-N 3.08Å; R340-F580 HydrophobicContact CB-CD2 3.94Å; R340-F580 HydrophobicContact CB-CE2 4.27Å; R340-I581 PolarHBondContact NH1-O 3.25Å; R340-D582 IonicContact CZ-OD1 2.78Å; R340-D582 IonicContact NH1-OD1 3.5Å; R340-D582 IonicContact NH2-OD1 3.51Å; R340-D582 PolarHBondContact NH2-OD1 2.94Å; R340-C709 WeakPolarHBondContact CD-O 3.27Å; R340-C709 PolarHBondContact NH1-O 3.23Å; R340-Q712 HydrophobicContact CG-CG 4.21Å
341Y84.1Confident69Low31 Ų3158.5 Ų58.512%0.12235%0.348CS..Hα-helixtrans-69-36.2174.8-75.9-75.9000112.5M337 N338 E339 N343 A344 R520 F524 R579 F580M337-Y341 HydrophobicContact CG-CD2 3.8Å; M337-Y341 HydrophobicContact CG-CE2 3.62Å; M337-Y341 WeakPolarHBondContact O-CD2 3.25Å; M337-Y341 PolarHBondContact O-N 2.9Å; N338-Y341 PolarHBondContact O-N 3.48Å; E339-Y341 PolarHBondContact O-N 3.38Å; Y341-N343 VanDerWaalsContact C-N 3.33Å; Y341-A344 PolarHBondContact O-N 2.9Å; Y341-R520 HydrophobicContact CD2-CG 4.34Å; Y341-R520 HydrophobicContact CE1-CG 4.14Å; Y341-R520 HydrophobicContact CE2-CB 3.82Å; Y341-R520 HydrophobicContact CE2-CG 3.61Å; Y341-R520 VanDerWaalsContact CZ-CG 3.49Å; Y341-R520 WeakPolarHBondContact OH-CG 3.35Å; Y341-F524 HydrophobicContact CE2-CE2 4.28Å; Y341-R579 WeakPolarHBondContact OH-CA 3.12Å; Y341-R579 WeakPolarHBondContact OH-CD 3.17Å; Y341-F580 AromaticContact CD1-CD2 3.95Å; Y341-F580 HydrophobicContact CD1-CD2 3.95Å; Y341-F580 AromaticContact CD1-CE2 3.76Å; Y341-F580 HydrophobicContact CD1-CE2 3.76Å; Y341-F580 HydrophobicContact CD2-CD2 4.15Å; Y341-F580 AromaticContact CE1-CD2 3.73Å; Y341-F580 HydrophobicContact CE1-CD2 3.73Å; Y341-F580 AromaticContact CE1-CE2 3.88Å; Y341-F580 HydrophobicContact CE1-CE2 3.88Å; Y341-F580 AromaticContact CE2-CD2 3.92Å; Y341-F580 HydrophobicContact CE2-CD2 3.92Å; Y341-F580 HydrophobicContact CG-CD2 4.13Å; Y341-F580 HydrophobicContact CG-CE2 4.12Å; Y341-F580 AromaticContact CZ-CD2 3.69Å; Y341-F580 PolarHBondContact OH-N 2.82Å
342A79.9Confident67Low76 Ų7662.7 Ų62.763%0.62835%0.348SS*.Hα-helixtrans-65.8-36.3174.700000112.3N338 E339 A344N338-A342 VanDerWaalsContact O-CB 3.29Å; N338-A342 WeakPolarHBondContact O-CB 3.25Å; N338-A342 PolarHBondContact O-N 3.3Å; E339-A342 PolarHBondContact O-N 3.4Å; A342-A344 VanDerWaalsContact C-N 3.33Å
343N76.5Confident64.6Low21 Ų2166.4 Ų66.411%0.11238%0.379CS..Hα-helixtrans-77.2-20.5177.7-67-29.6000113.3E339 R340 Y341 V345 W346 M711 Q713E339-N343 WeakPolarHBondContact O-CB 3.32Å; E339-N343 PolarHBondContact O-N 2.96Å; E339-N343 PolarHBondContact O-ND2 3.48Å; E339-N343 VanDerWaalsContact O-ND2 3.12Å; R340-N343 PolarHBondContact O-N 3.08Å; Y341-N343 VanDerWaalsContact C-N 3.33Å; N343-V345 PolarHBondContact O-N 2.96Å; N343-W346 WeakPolarHBondContact O-CH2 3.22Å; N343-W346 WeakPolarHBondContact O-CZ3 3.48Å; N343-M711 WeakPolarHBondContact CB-O 3.43Å; N343-M711 PolarHBondContact ND2-O 2.86Å; N343-M711 VanDerWaalsContact ND2-O 3.16Å; N343-Q713 PolarHBondContact ND2-N 3.22Å; N343-Q713 VanDerWaalsContact ND2-N 3.19Å; N343-Q713 VanDerWaalsContact OD1-CG 3.29Å; N343-Q713 WeakPolarHBondContact OD1-CG 2.95Å; N343-Q713 PolarHBondContact OD1-NE2 3.06Å
344A73Confident62.1Low7 Ų771.9 Ų71.96%0.05841%0.407CS..  trans-79.359.8-178.300000112.6R340 Y341 A342 W346 N347 F580R340-A344 VanDerWaalsContact O-CB 3.32Å; R340-A344 WeakPolarHBondContact O-CB 3.31Å; R340-A344 PolarHBondContact O-N 2.87Å; R340-A344 VanDerWaalsContact O-N 3.08Å; Y341-A344 PolarHBondContact O-N 2.9Å; A342-A344 VanDerWaalsContact C-N 3.33Å; A344-W346 HydrophobicContact CB-CZ2 4.06Å; A344-W346 PolarHBondContact O-N 3.42Å; A344-N347 HydrophobicContact CB-CB 4.07Å; A344-N347 WeakPolarHBondContact O-CB 3.27Å; A344-N347 PolarHBondContact O-N 3.33Å; A344-F580 HydrophobicContact CB-CE2 3.69Å; A344-F580 HydrophobicContact CB-CZ 3.46Å; A344-F580 VanDerWaalsContact CB-CZ 3.46Å
345V59.5Low59.3Low103 Ų10373.9 Ų73.962%0.62442%0.421SS*.G310 helixtrans-58.2-22.2-178.6-176.20000112.1N343 L348N343-V345 PolarHBondContact O-N 2.96Å; V345-L348 VanDerWaalsContact O-CD1 3.26Å; V345-L348 WeakPolarHBondContact O-CD1 3.34Å; V345-L348 WeakPolarHBondContact O-CG 3.37Å
346W59.7Low56.6Low40 Ų4072.4 Ų72.415%0.15243%0.433CS..G310 helixtrans-79.6-11.6174.649.587.7000115N343 A344 L348 V458 M711N343-W346 WeakPolarHBondContact O-CH2 3.22Å; N343-W346 WeakPolarHBondContact O-CZ3 3.48Å; A344-W346 HydrophobicContact CB-CZ2 4.06Å; A344-W346 PolarHBondContact O-N 3.42Å; W346-L348 VanDerWaalsContact C-N 3.26Å; W346-L348 PolarHBondContact O-N 2.86Å; W346-V458 HydrophobicContact CB-CG1 4.09Å; W346-V458 HydrophobicContact CG-CG1 4.18Å; W346-M711 HydrophobicContact CH2-CB 3.63Å; W346-M711 HydrophobicContact CH2-CE 3.62Å; W346-M711 HydrophobicContact CH2-CG 3.53Å; W346-M711 HydrophobicContact CH2-SD 3.05Å; W346-M711 WeakPolarHBondContact CH2-SD 3.43Å; W346-M711 HydrophobicContact CZ2-CB 3.8Å; W346-M711 HydrophobicContact CZ2-CE 4.49Å; W346-M711 HydrophobicContact CZ2-CG 3.47Å; W346-M711 VanDerWaalsContact CZ2-CG 3.47Å; W346-M711 HydrophobicContact CZ2-SD 3.38Å; W346-M711 WeakPolarHBondContact CZ2-SD 3.41Å; W346-M711 HydrophobicContact CZ3-CE 4.08Å; W346-M711 HydrophobicContact CZ3-SD 3.8Å
347N54.6Low53.9Low24 Ų2475.6 Ų75.613%0.12846%0.46CS..G310 helixtrans-86.823.8179.1-78.99.5000113.5A344 G349 H462 F580A344-N347 HydrophobicContact CB-CB 4.07Å; A344-N347 WeakPolarHBondContact O-CB 3.27Å; A344-N347 PolarHBondContact O-N 3.33Å; N347-G349 VanDerWaalsContact C-N 3.28Å; N347-G349 PolarHBondContact O-N 3.19Å; N347-H462 PolarHBondContact OD1-CE1 2.93Å; N347-F580 WeakPolarHBondContact ND2-CZ 3.27Å
348L42.5Very low51.3Low127 Ų12781.4 Ų81.467%0.66550%0.501SS*.THydrogen-bonded Turntrans-65.181.8-178.8-78.3161.8000112.6V345 W346V345-L348 VanDerWaalsContact O-CD1 3.26Å; V345-L348 WeakPolarHBondContact O-CD1 3.34Å; V345-L348 WeakPolarHBondContact O-CG 3.37Å; W346-L348 VanDerWaalsContact C-N 3.26Å; W346-L348 PolarHBondContact O-N 2.86Å
349G38.8Very low48.7Very low71 Ų7186.4 Ų86.473%0.73252%0.522SS*.THydrogen-bonded Turntrans-142.2-0.5167.700000113.3N347N347-G349 VanDerWaalsContact C-N 3.28Å; N347-G349 PolarHBondContact O-N 3.19Å
350E39.7Very low45.9Very low75 Ų7589.9 Ų89.935%0.3555%0.548SS..  trans-128.160.5175.9-72.9-168.2148.600111.5R520 R579E350-R520 IonicContact OE2-CZ 2.9Å; E350-R520 IonicContact OE2-NE 3.47Å; E350-R520 IonicContact OE2-NH2 3.67Å; E350-R520 PolarHBondContact OE2-NH2 3.18Å; E350-R579 IonicContact OE1-CZ 3.25Å; E350-R579 IonicContact OE1-NH1 3.24Å; E350-R579 PolarHBondContact OE1-NH1 3.05Å; E350-R579 IonicContact OE1-NH2 3.33Å; E350-R579 PolarHBondContact OE1-NH2 3.04Å; E350-R579 IonicContact OE2-CZ 2.88Å; E350-R579 IonicContact OE2-NH1 2.67Å; E350-R579 PolarHBondContact OE2-NH1 3.23Å; E350-R579 IonicContact OE2-NH2 2.82Å
351S29.1Very low43.1Very low99 Ų9997.3 Ų97.369%0.69259%0.588SS**  trans-88.2100.7154.8-57.30000107.3
352E32.7Very low40.3Very low158 Ų158102.4 Ų102.474%0.73862%0.622SS**  trans24115.9155.5-67.4175.9148.400118.4L354E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 HydrophobicContact CB-CD1 4.25Å; E352-L354 HydrophobicContact CB-CG 4.49Å; E352-L354 PolarHBondContact O-N 3.32Å
353S26Very low37.8Very low126 Ų126104.2 Ų104.288%0.88163%0.63SS**  trans-57.592.9149.349.30000110.4
354L27.1Very low35.5Very low126 Ų126109 Ų10966%0.6666%0.661SS**  trans-138.3110.6165.2-80.4165.4000109.9E352E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 HydrophobicContact CB-CD1 4.25Å; E352-L354 HydrophobicContact CB-CG 4.49Å; E352-L354 PolarHBondContact O-N 3.32Å
355D23.9Very low33.3Very low143 Ų143111.9 Ų111.977%0.76569%0.691SS**  trans54.9106.7154.9-64.8-17.4000121.9S357D355-S357 VanDerWaalsContact C-N 3.25Å; D355-S357 PolarHBondContact O-N 3.46Å
356A25.2Very low31.9Very low110 Ų110111 Ų11191%0.90970%0.702SS**SBendtrans-69.770.4157.600000111.9
357S24.3Very low30.8Very low98 Ų98113.5 Ų113.569%0.68572%0.722SS**  trans178.280.7155.6530000112.8D355D355-S357 VanDerWaalsContact C-N 3.25Å; D355-S357 PolarHBondContact O-N 3.46Å
358S29.2Very low30.2Very low123 Ų123115.4 Ų115.486%0.8673%0.731SS**  trans-174.1125.1139.813.60000111.4
359Q26.6Very low30.5Very low186 Ų186110.5 Ų110.587%0.86971%0.705SS**  trans-70.6130.8175.6-69.3166.7-17.100110.5
360T26.7Very low30.8Very low140 Ų140109.4 Ų109.486%0.85969%0.685SS**  -163.1101.4129.436.30000111.1
361N25.2Very low31.4Very low159 Ų159107.7 Ų107.785%0.8568%0.678SS**  trans2.8106.9155.8-62.8-24.5000119.6
362T25.6Very low32.6Very low138 Ų138103.6 Ų103.685%0.84765%0.652SS**  -170.1118.2127.9140000111.7
363S28.8Very low34Very low114 Ų114100.8 Ų100.880%0.79765%0.647SS**  trans5984.9164.154.50000120.6
364T26.4Very low35.8Very low123 Ų12396.9 Ų96.976%0.75562%0.616SS**  trans-14121.8142.142.80000119.8
365G26.8Very low37.8Very low67 Ų6793.4 Ų93.469%0.69160%0.601SS**  66.372.7127.800000117.7V367G365-V367 PolarHBondContact O-N 3.31Å
366G30.9Very low39.8Very low84 Ų8490.6 Ų90.687%0.86660%0.598SS**  trans-65.874.8170.400000112.9M368G366-M368 PolarHBondContact O-N 3.44Å
367V36.8Very low42.2Very low92 Ų9289.7 Ų89.756%0.55858%0.578SS**  trans-67.4100.4162171.30000105.8G365 D369 R380G365-V367 PolarHBondContact O-N 3.31Å; V367-D369 PolarHBondContact O-N 3.3Å; V367-R380 VanDerWaalsContact CG1-NH2 3.28Å; V367-R380 PolarHBondContact O-NH2 2.95Å
368M42.7Very low44.9Very low64 Ų6487.5 Ų87.532%0.31555%0.554SS.*  trans-53.6135174.3-87.5-176.814800109G366 A459 H462 Y463G366-M368 PolarHBondContact O-N 3.44Å; M368-A459 HydrophobicContact CE-CB 4.02Å; M368-H462 HydrophobicContact CE-CB 3.8Å; M368-H462 HydrophobicContact SD-CB 3.64Å; M368-Y463 HydrophobicContact CB-CD2 3.89Å; M368-Y463 HydrophobicContact CB-CG 4.39Å; M368-Y463 WeakPolarHBondContact O-CD2 3.47Å; M368-Y463 WeakPolarHBondContact O-CE2 3.33Å
369D47.4Very low47.3Very low25 Ų2583.7 Ų83.713%0.13452%0.523CS..  trans-121.8130.1-171.1-165.8-53.2000109.7V367 L371 G372 R380 R404V367-D369 PolarHBondContact O-N 3.3Å; D369-L371 PolarHBondContact O-N 3.33Å; D369-L371 PolarHBondContact OD1-N 2.9Å; D369-L371 VanDerWaalsContact OD1-N 3.12Å; D369-G372 PolarHBondContact O-N 2.68Å; D369-R380 IonicContact OD2-CZ 3.97Å; D369-R380 IonicContact OD2-NH1 3.08Å; D369-R380 PolarHBondContact OD2-NH1 2.88Å; D369-R404 IonicContact OD1-CZ 2.68Å; D369-R404 IonicContact OD1-NH1 3.16Å; D369-R404 PolarHBondContact OD1-NH1 3.14Å; D369-R404 IonicContact OD1-NH2 3.67Å; D369-R404 PolarHBondContact OD1-NH2 2.98Å; D369-R404 IonicContact OD2-CZ 3.93Å; D369-R404 IonicContact OD2-NH1 3.68Å; D369-R404 PolarHBondContact OD2-NH1 3.28Å; D369-R404 IonicContact OD2-NH2 2.76Å; D369-R404 PolarHBondContact OD2-NH2 3.34Å
370P45.5Very low49.8Very low47 Ų4777.9 Ų77.931%0.30549%0.493SS..THydrogen-bonded Turntrans-59.1-13.6-17821.6-32.6000114.5W452 Y463P370-W452 WeakPolarHBondContact O-CH2 3.33Å; P370-Y463 HydrophobicContact CB-CD1 4.45Å; P370-Y463 HydrophobicContact CG-CE1 4.18Å
371L53.6Low52.4Low40 Ų4076.1 Ų76.121%0.20947%0.471CS..THydrogen-bonded Turntrans-88.41.2176.8-64.6169000114.5D369 R404 I405 R441D369-L371 PolarHBondContact O-N 3.33Å; D369-L371 PolarHBondContact OD1-N 2.9Å; D369-L371 VanDerWaalsContact OD1-N 3.12Å; L371-R404 HydrophobicContact CB-CB 4.46Å; L371-R404 HydrophobicContact CD1-CB 4.46Å; L371-I405 HydrophobicContact CD1-CD1 3.73Å; L371-I405 HydrophobicContact CD1-CG1 3.75Å; L371-R441 PolarHBondContact O-NH2 3.25Å
372G54.2Low54.9Low13 Ų1372.6 Ų72.613%0.13446%0.455CS..  trans90-168.3-174.200000112.3D369 R404D369-G372 PolarHBondContact O-N 2.68Å; G372-R404 PolarHBondContact O-NH1 3.38Å
373P60.9Low57.3Low99 Ų9968.3 Ų68.364%0.64343%0.427SS*.SBendtrans-67.1153.1175.927.9-33.5000111.7N456P373-N456 WeakPolarHBondContact CD-OD1 3.31Å
374L64.4Low59.1Low43 Ų4372.6 Ų72.623%0.22544%0.436CS..PPolyproline II helixtrans-66.2148.6170.6-80.1167.8000110.6W378 R380 F390 P403L374-W378 HydrophobicContact CB-CB 4.02Å; L374-W378 HydrophobicContact CD2-CB 4.35Å; L374-R380 HydrophobicContact CD1-CB 3.87Å; L374-F390 HydrophobicContact CD1-CD1 4.05Å; L374-F390 HydrophobicContact CD1-CE1 4.29Å; L374-F390 HydrophobicContact CD2-CD1 3.68Å; L374-F390 HydrophobicContact CD2-CE1 3.78Å; L374-P403 HydrophobicContact CD2-CG 3.57Å
375P68.1Low60.9Low54 Ų5471.2 Ų71.235%0.35143%0.432SS..PPolyproline II helixtrans-57153.7174.8-19.130000111N377 W378 R404P375-N377 PolarHBondContact O-N 2.87Å; P375-W378 WeakPolarHBondContact O-CB 3.21Å; P375-W378 PolarHBondContact O-N 3.45Å; P375-R404 HydrophobicContact CG-CG 4.31Å
376A66.5Low62.4Low84 Ų8470.7 Ų70.769%0.69443%0.426SS*.THydrogen-bonded Turntrans-50.3135.1179.900000111.4W378A376-W378 VanDerWaalsContact C-N 3.32Å; A376-W378 PolarHBondContact O-N 3.14Å
377N74.8Confident63.8Low90 Ų9073.9 Ų73.948%0.48141%0.412SS..THydrogen-bonded Turntrans72.79.6-177.1-42.1-68.8000116.6P375 N392 H393 V394P375-N377 PolarHBondContact O-N 2.87Å; N377-N392 CarbonylContact O-C 3.38Å; N377-N392 WeakPolarHBondContact O-CA 3.42Å; N377-H393 HydrophobicContact CB-CB 4.41Å; N377-H393 PolarHBondContact O-CD2 2.92Å; N377-H393 VanDerWaalsContact O-CD2 3.29Å; N377-H393 PolarHBondContact O-N 3.4Å; N377-V394 HydrophobicContact CB-CG2 3.6Å; N377-V394 VanDerWaalsContact CG-CG2 3.46Å
378W81.2Confident65.5Low52 Ų5271.8 Ų71.820%0.19740%0.402CS..EExtended strand (participates in β ladder)trans-99.9139.4169.6-70.583.1000111.6L374 P375 A376 F390 V391 N392 Q399 P403L374-W378 HydrophobicContact CB-CB 4.02Å; L374-W378 HydrophobicContact CD2-CB 4.35Å; P375-W378 WeakPolarHBondContact O-CB 3.21Å; P375-W378 PolarHBondContact O-N 3.45Å; A376-W378 VanDerWaalsContact C-N 3.32Å; A376-W378 PolarHBondContact O-N 3.14Å; W378-F390 HydrophobicContact CE3-CB 3.98Å; W378-F390 HydrophobicContact CZ3-CB 4.11Å; W378-V391 CarbonylContact C-O 3.53Å; W378-V391 WeakPolarHBondContact CA-O 3.47Å; W378-N392 HydrophobicContact CD2-CB 3.9Å; W378-N392 HydrophobicContact CE3-CB 3.9Å; W378-N392 HydrophobicContact CH2-CB 3.94Å; W378-N392 HydrophobicContact CZ2-CB 3.94Å; W378-N392 VanDerWaalsContact CZ2-ND2 3.27Å; W378-N392 WeakPolarHBondContact CZ2-ND2 3.39Å; W378-N392 HydrophobicContact CZ3-CB 3.93Å; W378-N392 PolarHBondContact NE1-ND2 3.39Å; W378-Q399 VanDerWaalsContact CH2-CD 3.46Å; W378-Q399 HydrophobicContact CH2-CG 4.19Å; W378-Q399 VanDerWaalsContact CH2-OE1 3.31Å; W378-Q399 HydrophobicContact CZ3-CG 3.77Å; W378-P403 HydrophobicContact CB-CG 4.25Å; W378-P403 HydrophobicContact CD2-CB 3.53Å; W378-P403 HydrophobicContact CD2-CG 3.51Å; W378-P403 VanDerWaalsContact CE2-CB 3.48Å; W378-P403 HydrophobicContact CE3-CB 3.67Å; W378-P403 HydrophobicContact CE3-CG 3.5Å; W378-P403 HydrophobicContact CG-CB 4.18Å; W378-P403 HydrophobicContact CG-CG 3.88Å; W378-P403 HydrophobicContact CH2-CB 3.73Å; W378-P403 HydrophobicContact CH2-CG 4.46Å; W378-P403 HydrophobicContact CZ2-CB 3.6Å; W378-P403 HydrophobicContact CZ2-CG 4.48Å; W378-P403 HydrophobicContact CZ3-CB 3.77Å; W378-P403 HydrophobicContact CZ3-CG 4Å
379E81.2Confident67.3Low43 Ų4371.4 Ų71.420%0.20140%0.397CS..EExtended strand (participates in β ladder)trans-128.2129.9178.4-175.4-166.416100109.2R381 F390 V391 H393E379-R381 HydrophobicContact CG-CG 4.28Å; E379-R381 WeakPolarHBondContact OE1-CG 3.49Å; E379-R381 IonicContact OE1-CZ 2.69Å; E379-R381 IonicContact OE1-NE 2.67Å; E379-R381 PolarHBondContact OE1-NE 2.92Å; E379-R381 IonicContact OE1-NH2 2.9Å; E379-R381 PolarHBondContact OE1-NH2 3.18Å; E379-R381 IonicContact OE2-CZ 3.55Å; E379-R381 IonicContact OE2-NE 3.9Å; E379-R381 PolarHBondContact OE2-NE 2.89Å; E379-R381 VanDerWaalsContact OE2-NE 3.16Å; E379-R381 IonicContact OE2-NH2 2.67Å; E379-R381 PolarHBondContact OE2-NH2 3.29Å; E379-F390 CarbonylContact O-C 3.42Å; E379-F390 WeakPolarHBondContact O-CA 3.34Å; E379-V391 PolarHBondContact N-O 2.86Å; E379-V391 PolarHBondContact O-N 3.43Å; E379-H393 VanDerWaalsContact CB-NE2 3.33Å; E379-H393 WeakPolarHBondContact CB-NE2 3.34Å; E379-H393 IonicContact OE2-CE1 3.04Å; E379-H393 PolarHBondContact OE2-CE1 3.07Å; E379-H393 IonicContact OE2-NE2 2.85Å; E379-H393 PolarHBondContact OE2-NE2 3.35Å; E379-H393 VanDerWaalsContact OE2-NE2 3.07Å
380R78.2Confident69.1Low64 Ų6470.9 Ų70.924%0.24239%0.394CS..EExtended strand (participates in β ladder)trans-86130.1168.1-178.5176.960.4-149.9-25.8109.2V367 D369 L374 F390V367-R380 VanDerWaalsContact CG1-NH2 3.28Å; V367-R380 PolarHBondContact O-NH2 2.95Å; D369-R380 IonicContact OD2-CZ 3.97Å; D369-R380 IonicContact OD2-NH1 3.08Å; D369-R380 PolarHBondContact OD2-NH1 2.88Å; L374-R380 HydrophobicContact CD1-CB 3.87Å; R380-F390 HydrophobicContact CB-CD1 3.92Å; R380-F390 HydrophobicContact CB-CE1 3.85Å; R380-F390 HydrophobicContact CG-CD1 4.25Å; R380-F390 HydrophobicContact CG-CE1 3.91Å; R380-F390 HydrophobicContact CG-CZ 4.35Å
381R81Confident70.8Confident103 Ų10369.6 Ų69.639%0.38939%0.385SS..EExtended strand (participates in β ladder)trans-120.6165.4171.2-68.1-169.8-179.6175.48.5110.4E379 S388 Y389 V391E379-R381 HydrophobicContact CG-CG 4.28Å; E379-R381 WeakPolarHBondContact OE1-CG 3.49Å; E379-R381 IonicContact OE1-CZ 2.69Å; E379-R381 IonicContact OE1-NE 2.67Å; E379-R381 PolarHBondContact OE1-NE 2.92Å; E379-R381 IonicContact OE1-NH2 2.9Å; E379-R381 PolarHBondContact OE1-NH2 3.18Å; E379-R381 IonicContact OE2-CZ 3.55Å; E379-R381 IonicContact OE2-NE 3.9Å; E379-R381 PolarHBondContact OE2-NE 2.89Å; E379-R381 VanDerWaalsContact OE2-NE 3.16Å; E379-R381 IonicContact OE2-NH2 2.67Å; E379-R381 PolarHBondContact OE2-NH2 3.29Å; R381-S388 CarbonylContact O-C 3.58Å; R381-S388 VanDerWaalsContact O-CA 3.23Å; R381-S388 WeakPolarHBondContact O-CA 3.48Å; R381-Y389 HydrophobicContact CB-CD1 3.94Å; R381-Y389 HydrophobicContact CB-CD2 4.44Å; R381-Y389 HydrophobicContact CB-CE1 3.35Å; R381-Y389 HydrophobicContact CB-CE2 3.95Å; R381-Y389 HydrophobicContact CB-CG 4.44Å; R381-Y389 VanDerWaalsContact CD-OH 3.31Å; R381-Y389 WeakPolarHBondContact CD-OH 3.24Å; R381-Y389 PolarHBondContact N-O 3.21Å; R381-Y389 PolarHBondContact O-N 2.83Å; R381-Y389 VanDerWaalsContact O-O 3.11Å; R381-V391 HydrophobicContact CG-CG2 4.37Å
382V77.7Confident72.2Confident85 Ų8568.7 Ų68.752%0.51538%0.38SS..EExtended strand (participates in β ladder)trans-123.2133.1177.6-172.90000107.6G386 R387V382-G386 VanDerWaalsContact CG1-CA 3.46Å; V382-G386 WeakPolarHBondContact CG1-O 3.41Å; V382-R387 WeakPolarHBondContact CA-O 3.31Å
383D76.5Confident73.4Confident49 Ų4972.6 Ų72.626%0.26240%0.395SS..  trans-78.4178.4175.773.79.3000112S385 G386 R387D383-S385 PolarHBondContact O-N 3.46Å; D383-S385 VanDerWaalsContact O-N 3.14Å; D383-S385 VanDerWaalsContact OD1-CA 3.28Å; D383-S385 WeakPolarHBondContact OD1-CA 3.41Å; D383-S385 WeakPolarHBondContact OD1-CB 3.26Å; D383-S385 PolarHBondContact OD1-N 3Å; D383-S385 PolarHBondContact OD1-OG 3.46Å; D383-S385 PolarHBondContact OD2-OG 3.19Å; D383-S385 VanDerWaalsContact OD2-OG 3.07Å; D383-G386 PolarHBondContact O-N 3.03Å; D383-G386 VanDerWaalsContact O-N 3.11Å; D383-G386 PolarHBondContact OD1-N 3.48Å; D383-R387 PolarHBondContact N-O 3.28Å; D383-R387 PolarHBondContact OD1-N 3.48Å
384M66.6Low74.1Confident203 Ų20372.9 Ų72.9100%139%0.394SS*.THydrogen-bonded Turntrans-64.6-15.5178.3-57.6-167.6-44.700113.9
385S63.9Low74.7Confident95 Ų9573.7 Ų73.766%0.66440%0.404SS*.THydrogen-bonded Turntrans-89.7-5.6177.779.20000113.1D383D383-S385 PolarHBondContact O-N 3.46Å; D383-S385 VanDerWaalsContact O-N 3.14Å; D383-S385 VanDerWaalsContact OD1-CA 3.28Å; D383-S385 WeakPolarHBondContact OD1-CA 3.41Å; D383-S385 WeakPolarHBondContact OD1-CB 3.26Å; D383-S385 PolarHBondContact OD1-N 3Å; D383-S385 PolarHBondContact OD1-OG 3.46Å; D383-S385 PolarHBondContact OD2-OG 3.19Å; D383-S385 VanDerWaalsContact OD2-OG 3.07Å
386G58Low75.3Confident55 Ų5581.9 Ų81.957%0.56743%0.428SS*.SBendtrans87.36.1-174.600000113.8V382 D383V382-G386 VanDerWaalsContact CG1-CA 3.46Å; V382-G386 WeakPolarHBondContact CG1-O 3.41Å; D383-G386 PolarHBondContact O-N 3.03Å; D383-G386 VanDerWaalsContact O-N 3.11Å; D383-G386 PolarHBondContact OD1-N 3.48Å
387R60Low75.6Confident152 Ų15281.8 Ų81.857%0.57442%0.415SS*.  trans-86.7132.7179.8-168.9177-177.1-176.6-0.5110.8V382 D383 W400V382-R387 WeakPolarHBondContact CA-O 3.31Å; D383-R387 PolarHBondContact N-O 3.28Å; D383-R387 PolarHBondContact OD1-N 3.48Å; R387-W400 HydrophobicContact CB-CZ3 4.32Å; R387-W400 HydrophobicContact CG-CE3 4.26Å; R387-W400 HydrophobicContact CG-CZ3 3.99Å
388S73.7Confident76Confident48 Ų4881.5 Ų81.534%0.33642%0.42SS..EExtended strand (participates in β ladder)trans-76.8142.9177-56.90000112.8R381R381-S388 CarbonylContact O-C 3.58Å; R381-S388 VanDerWaalsContact O-CA 3.23Å; R381-S388 WeakPolarHBondContact O-CA 3.48Å
389Y80.3Confident76Confident56 Ų5680.6 Ų80.622%0.2242%0.418CS..EExtended strand (participates in β ladder)trans-139.4158.5169.172.3-81000109.7R381 V391 Q399R381-Y389 HydrophobicContact CB-CD1 3.94Å; R381-Y389 HydrophobicContact CB-CD2 4.44Å; R381-Y389 HydrophobicContact CB-CE1 3.35Å; R381-Y389 HydrophobicContact CB-CE2 3.95Å; R381-Y389 HydrophobicContact CB-CG 4.44Å; R381-Y389 VanDerWaalsContact CD-OH 3.31Å; R381-Y389 WeakPolarHBondContact CD-OH 3.24Å; R381-Y389 PolarHBondContact N-O 3.21Å; R381-Y389 PolarHBondContact O-N 2.83Å; R381-Y389 VanDerWaalsContact O-O 3.11Å; Y389-V391 HydrophobicContact CD2-CG2 3.88Å; Y389-V391 HydrophobicContact CE2-CG2 3.45Å; Y389-V391 VanDerWaalsContact CE2-CG2 3.45Å; Y389-Q399 CarbonylContact C-O 3.47Å; Y389-Q399 WeakPolarHBondContact CA-O 3.37Å; Y389-Q399 WeakPolarHBondContact CB-O 3.47Å
390F84.1Confident75.7Confident13 Ų1384.3 Ų84.36%0.05743%0.43CS..EExtended strand (participates in β ladder)trans-117.8129.7-172.7-58.4-92.4000110.8L374 W378 E379 R380 S398 Q399 E401 D402 P403L374-F390 HydrophobicContact CD1-CD1 4.05Å; L374-F390 HydrophobicContact CD1-CE1 4.29Å; L374-F390 HydrophobicContact CD2-CD1 3.68Å; L374-F390 HydrophobicContact CD2-CE1 3.78Å; W378-F390 HydrophobicContact CE3-CB 3.98Å; W378-F390 HydrophobicContact CZ3-CB 4.11Å; E379-F390 CarbonylContact O-C 3.42Å; E379-F390 WeakPolarHBondContact O-CA 3.34Å; R380-F390 HydrophobicContact CB-CD1 3.92Å; R380-F390 HydrophobicContact CB-CE1 3.85Å; R380-F390 HydrophobicContact CG-CD1 4.25Å; R380-F390 HydrophobicContact CG-CE1 3.91Å; R380-F390 HydrophobicContact CG-CZ 4.35Å; F390-S398 CarbonylContact O-C 3.55Å; F390-S398 VanDerWaalsContact O-CA 3.29Å; F390-S398 WeakPolarHBondContact O-CA 3.26Å; F390-Q399 HydrophobicContact CB-CG 4.27Å; F390-Q399 PolarHBondContact N-O 2.94Å; F390-Q399 PolarHBondContact O-N 3.3Å; F390-E401 VanDerWaalsContact CD2-O 3.23Å; F390-E401 WeakPolarHBondContact CD2-O 3.32Å; F390-D402 HydrophobicContact CD2-CB 4.46Å; F390-D402 HydrophobicContact CE1-CB 4.38Å; F390-D402 VanDerWaalsContact CE2-CA 3.45Å; F390-D402 HydrophobicContact CE2-CB 3.8Å; F390-D402 HydrophobicContact CZ-CB 3.73Å; F390-D402 VanDerWaalsContact CZ-OD2 3.3Å; F390-D402 WeakPolarHBondContact CZ-OD2 3.28Å; F390-P403 HydrophobicContact CD1-CG 4.46Å
391V83Confident75.1Confident21 Ų2186 Ų8613%0.12744%0.44CS..EExtended strand (participates in β ladder)trans-111.1125.7-177.9-177.60000109W378 E379 R381 Y389 I397W378-V391 CarbonylContact C-O 3.53Å; W378-V391 WeakPolarHBondContact CA-O 3.47Å; E379-V391 PolarHBondContact N-O 2.86Å; E379-V391 PolarHBondContact O-N 3.43Å; R381-V391 HydrophobicContact CG-CG2 4.37Å; Y389-V391 HydrophobicContact CD2-CG2 3.88Å; Y389-V391 HydrophobicContact CE2-CG2 3.45Å; Y389-V391 VanDerWaalsContact CE2-CG2 3.45Å; V391-I397 WeakPolarHBondContact CA-O 3.36Å
392N82.5Confident74.5Confident21 Ų2181.8 Ų81.811%0.11243%0.426CS..EExtended strand (participates in β ladder)trans-96.8117.2170.6-177.1-37.4000109.4N377 W378 V394 S395 R396 I397N377-N392 CarbonylContact O-C 3.38Å; N377-N392 WeakPolarHBondContact O-CA 3.42Å; W378-N392 HydrophobicContact CD2-CB 3.9Å; W378-N392 HydrophobicContact CE3-CB 3.9Å; W378-N392 HydrophobicContact CH2-CB 3.94Å; W378-N392 HydrophobicContact CZ2-CB 3.94Å; W378-N392 VanDerWaalsContact CZ2-ND2 3.27Å; W378-N392 WeakPolarHBondContact CZ2-ND2 3.39Å; W378-N392 HydrophobicContact CZ3-CB 3.93Å; W378-N392 PolarHBondContact NE1-ND2 3.39Å; N392-V394 VanDerWaalsContact C-N 3.32Å; N392-V394 PolarHBondContact O-N 2.93Å; N392-V394 WeakPolarHBondContact OD1-CA 3.28Å; N392-V394 WeakPolarHBondContact OD1-CB 3.1Å; N392-V394 PolarHBondContact OD1-N 3.35Å; N392-S395 VanDerWaalsContact CB-OG 3.31Å; N392-S395 WeakPolarHBondContact CB-OG 3.32Å; N392-S395 PolarHBondContact ND2-OG 3.05Å; N392-S395 PolarHBondContact OD1-N 3.4Å; N392-S395 VanDerWaalsContact OD1-N 3.08Å; N392-S395 PolarHBondContact OD1-OG 2.83Å; N392-R396 WeakPolarHBondContact O-CA 3.44Å; N392-R396 PolarHBondContact O-N 2.8Å; N392-I397 HydrophobicContact CB-CG1 4.1Å; N392-I397 PolarHBondContact N-O 3.37Å
393H79.8Confident74Confident95 Ų9578.5 Ų78.544%0.4441%0.406SS..THydrogen-bonded Turntrans-72.7-21.9-177.4-65.6-75000114.1N377 E379N377-H393 HydrophobicContact CB-CB 4.41Å; N377-H393 PolarHBondContact O-CD2 2.92Å; N377-H393 VanDerWaalsContact O-CD2 3.29Å; N377-H393 PolarHBondContact O-N 3.4Å; E379-H393 VanDerWaalsContact CB-NE2 3.33Å; E379-H393 WeakPolarHBondContact CB-NE2 3.34Å; E379-H393 IonicContact OE2-CE1 3.04Å; E379-H393 PolarHBondContact OE2-CE1 3.07Å; E379-H393 IonicContact OE2-NE2 2.85Å; E379-H393 PolarHBondContact OE2-NE2 3.35Å; E379-H393 VanDerWaalsContact OE2-NE2 3.07Å
394V74.9Confident73.5Confident104 Ų10478.2 Ų78.263%0.6340%0.402SS*.THydrogen-bonded Turntrans-79.8-52.4177.81770000110.1N377 N392 R396N377-V394 HydrophobicContact CB-CG2 3.6Å; N377-V394 VanDerWaalsContact CG-CG2 3.46Å; N392-V394 VanDerWaalsContact C-N 3.32Å; N392-V394 PolarHBondContact O-N 2.93Å; N392-V394 WeakPolarHBondContact OD1-CA 3.28Å; N392-V394 WeakPolarHBondContact OD1-CB 3.1Å; N392-V394 PolarHBondContact OD1-N 3.35Å; V394-R396 VanDerWaalsContact C-N 3.34Å
395S77.5Confident73.3Confident60 Ų6072.5 Ų72.542%0.4237%0.374SS..THydrogen-bonded Turntrans-84.5-8.9-178.756.90000113.7N392 I397N392-S395 VanDerWaalsContact CB-OG 3.31Å; N392-S395 WeakPolarHBondContact CB-OG 3.32Å; N392-S395 PolarHBondContact ND2-OG 3.05Å; N392-S395 PolarHBondContact OD1-N 3.4Å; N392-S395 VanDerWaalsContact OD1-N 3.08Å; N392-S395 PolarHBondContact OD1-OG 2.83Å; S395-I397 PolarHBondContact O-N 3.17Å; S395-I397 WeakPolarHBondContact OG-CD1 3.41Å; S395-I397 VanDerWaalsContact OG-CG1 3.32Å; S395-I397 WeakPolarHBondContact OG-CG1 3.45Å
396R79.3Confident72.6Confident226 Ų22672.4 Ų72.485%0.85336%0.363SS*.THydrogen-bonded Turntrans54.530.9-176.7-56.4-175.4-178.31780.8113.2N392 V394N392-R396 WeakPolarHBondContact O-CA 3.44Å; N392-R396 PolarHBondContact O-N 2.8Å; V394-R396 VanDerWaalsContact C-N 3.34Å
397I73.5Confident72.3Confident82 Ų8272.8 Ų72.842%0.42137%0.367SS..EExtended strand (participates in β ladder)trans-100.3149.4174.672.9-172.5000109.9V391 N392 S395V391-I397 WeakPolarHBondContact CA-O 3.36Å; N392-I397 HydrophobicContact CB-CG1 4.1Å; N392-I397 PolarHBondContact N-O 3.37Å; S395-I397 PolarHBondContact O-N 3.17Å; S395-I397 WeakPolarHBondContact OG-CD1 3.41Å; S395-I397 VanDerWaalsContact OG-CG1 3.32Å; S395-I397 WeakPolarHBondContact OG-CG1 3.45Å
398S84Confident72Confident84 Ų8472 Ų7259%0.58737%0.37SS*.EExtended strand (participates in β ladder)trans-114.3139.8164.856.60000108.9F390F390-S398 CarbonylContact O-C 3.55Å; F390-S398 VanDerWaalsContact O-CA 3.29Å; F390-S398 WeakPolarHBondContact O-CA 3.26Å
399Q79.4Confident71.6Confident33 Ų3375.1 Ų75.115%0.15439%0.389CS..EExtended strand (participates in β ladder)trans-136.6158.3175.657.3-178.158.400110.3W378 Y389 F390 E401W378-Q399 VanDerWaalsContact CH2-CD 3.46Å; W378-Q399 HydrophobicContact CH2-CG 4.19Å; W378-Q399 VanDerWaalsContact CH2-OE1 3.31Å; W378-Q399 HydrophobicContact CZ3-CG 3.77Å; Y389-Q399 CarbonylContact C-O 3.47Å; Y389-Q399 WeakPolarHBondContact CA-O 3.37Å; Y389-Q399 WeakPolarHBondContact CB-O 3.47Å; F390-Q399 HydrophobicContact CB-CG 4.27Å; F390-Q399 PolarHBondContact N-O 2.94Å; F390-Q399 PolarHBondContact O-N 3.3Å; Q399-E401 WeakPolarHBondContact CG-O 3.39Å; Q399-E401 PolarHBondContact NE2-O 3.12Å
400W75.3Confident70.9Confident122 Ų12274.7 Ų74.746%0.46239%0.39SS..SBendtrans-85-26-179.9-68.3102.9000112.1R387R387-W400 HydrophobicContact CB-CZ3 4.32Å; R387-W400 HydrophobicContact CG-CE3 4.26Å; R387-W400 HydrophobicContact CG-CZ3 3.99Å
401E66.6Low70.5Confident98 Ų9876.3 Ų76.346%0.45840%0.402SS..SBendtrans-90.6148.9-176.1-58.579.7-168.800111.7F390 Q399 Q406F390-E401 VanDerWaalsContact CD2-O 3.23Å; F390-E401 WeakPolarHBondContact CD2-O 3.32Å; Q399-E401 WeakPolarHBondContact CG-O 3.39Å; Q399-E401 PolarHBondContact NE2-O 3.12Å; E401-Q406 HydrophobicContact CB-CG 3.89Å
402D68.7Low70Confident16 Ų1683.6 Ų83.69%0.08643%0.434CS..  trans-71.4125.9-178.5-163.8-46.6000111.9F390 R404 I405 Q406F390-D402 HydrophobicContact CD2-CB 4.46Å; F390-D402 HydrophobicContact CE1-CB 4.38Å; F390-D402 VanDerWaalsContact CE2-CA 3.45Å; F390-D402 HydrophobicContact CE2-CB 3.8Å; F390-D402 HydrophobicContact CZ-CB 3.73Å; F390-D402 VanDerWaalsContact CZ-OD2 3.3Å; F390-D402 WeakPolarHBondContact CZ-OD2 3.28Å; D402-R404 PolarHBondContact O-N 3.15Å; D402-R404 VanDerWaalsContact O-N 3.09Å; D402-R404 VanDerWaalsContact OD1-CB 3.27Å; D402-R404 WeakPolarHBondContact OD1-CB 3.47Å; D402-R404 WeakPolarHBondContact OD1-CG 3.21Å; D402-R404 IonicContact OD1-CZ 2.72Å; D402-R404 PolarHBondContact OD1-N 3.28Å; D402-R404 IonicContact OD1-NE 3.28Å; D402-R404 PolarHBondContact OD1-NE 3.36Å; D402-R404 IonicContact OD1-NH2 3.38Å; D402-R404 PolarHBondContact OD1-NH2 2.99Å; D402-R404 IonicContact OD2-CZ 3.32Å; D402-R404 VanDerWaalsContact OD2-CZ 3.28Å; D402-R404 IonicContact OD2-NE 3.98Å; D402-R404 PolarHBondContact OD2-NE 2.93Å; D402-R404 IonicContact OD2-NH2 2.76Å; D402-R404 PolarHBondContact OD2-NH2 2.83Å; D402-I405 HydrophobicContact CB-CB 4.43Å; D402-I405 HydrophobicContact CB-CD1 3.77Å; D402-I405 HydrophobicContact CB-CG1 3.9Å; D402-I405 PolarHBondContact O-N 3.15Å; D402-Q406 PolarHBondContact O-N 3.44Å
403P67.1Low69.7Low16 Ų1683.5 Ų83.510%0.10444%0.438CS..THydrogen-bonded Turntrans-61.7-18.3178.828.8-39.3000113.6L374 W378 F390 I405L374-P403 HydrophobicContact CD2-CG 3.57Å; W378-P403 HydrophobicContact CB-CG 4.25Å; W378-P403 HydrophobicContact CD2-CB 3.53Å; W378-P403 HydrophobicContact CD2-CG 3.51Å; W378-P403 VanDerWaalsContact CE2-CB 3.48Å; W378-P403 HydrophobicContact CE3-CB 3.67Å; W378-P403 HydrophobicContact CE3-CG 3.5Å; W378-P403 HydrophobicContact CG-CB 4.18Å; W378-P403 HydrophobicContact CG-CG 3.88Å; W378-P403 HydrophobicContact CH2-CB 3.73Å; W378-P403 HydrophobicContact CH2-CG 4.46Å; W378-P403 HydrophobicContact CZ2-CB 3.6Å; W378-P403 HydrophobicContact CZ2-CG 4.48Å; W378-P403 HydrophobicContact CZ3-CB 3.77Å; W378-P403 HydrophobicContact CZ3-CG 4Å; F390-P403 HydrophobicContact CD1-CG 4.46Å; P403-I405 VanDerWaalsContact C-N 3.28Å
404R66.1Low69.9Low43 Ų4381.1 Ų81.116%0.16243%0.425CS..THydrogen-bonded Turntrans-76-18.7175.5-63.5165.6-71.5-168.8-4.8112.6D369 L371 G372 P375 D402D369-R404 IonicContact OD1-CZ 2.68Å; D369-R404 IonicContact OD1-NH1 3.16Å; D369-R404 PolarHBondContact OD1-NH1 3.14Å; D369-R404 IonicContact OD1-NH2 3.67Å; D369-R404 PolarHBondContact OD1-NH2 2.98Å; D369-R404 IonicContact OD2-CZ 3.93Å; D369-R404 IonicContact OD2-NH1 3.68Å; D369-R404 PolarHBondContact OD2-NH1 3.28Å; D369-R404 IonicContact OD2-NH2 2.76Å; D369-R404 PolarHBondContact OD2-NH2 3.34Å; L371-R404 HydrophobicContact CB-CB 4.46Å; L371-R404 HydrophobicContact CD1-CB 4.46Å; G372-R404 PolarHBondContact O-NH1 3.38Å; P375-R404 HydrophobicContact CG-CG 4.31Å; D402-R404 PolarHBondContact O-N 3.15Å; D402-R404 VanDerWaalsContact O-N 3.09Å; D402-R404 VanDerWaalsContact OD1-CB 3.27Å; D402-R404 WeakPolarHBondContact OD1-CB 3.47Å; D402-R404 WeakPolarHBondContact OD1-CG 3.21Å; D402-R404 IonicContact OD1-CZ 2.72Å; D402-R404 PolarHBondContact OD1-N 3.28Å; D402-R404 IonicContact OD1-NE 3.28Å; D402-R404 PolarHBondContact OD1-NE 3.36Å; D402-R404 IonicContact OD1-NH2 3.38Å; D402-R404 PolarHBondContact OD1-NH2 2.99Å; D402-R404 IonicContact OD2-CZ 3.32Å; D402-R404 VanDerWaalsContact OD2-CZ 3.28Å; D402-R404 IonicContact OD2-NE 3.98Å; D402-R404 PolarHBondContact OD2-NE 2.93Å; D402-R404 IonicContact OD2-NH2 2.76Å; D402-R404 PolarHBondContact OD2-NH2 2.83Å
405I61.4Low70Confident83 Ų8377.5 Ų77.543%0.42640%0.402SS..THydrogen-bonded Turntrans-102.8-23.5-178.5-49.8174.8000110.6L371 D402 P403L371-I405 HydrophobicContact CD1-CD1 3.73Å; L371-I405 HydrophobicContact CD1-CG1 3.75Å; D402-I405 HydrophobicContact CB-CB 4.43Å; D402-I405 HydrophobicContact CB-CD1 3.77Å; D402-I405 HydrophobicContact CB-CG1 3.9Å; D402-I405 PolarHBondContact O-N 3.15Å; P403-I405 VanDerWaalsContact C-N 3.28Å
406Q49.1Very low70Confident93 Ų9377 Ų7744%0.43539%0.394SS..SBendtrans-97.2112.5-179.9-70.7-167.1-2700112.4E401 D402E401-Q406 HydrophobicContact CB-CG 3.89Å; D402-Q406 PolarHBondContact O-N 3.44Å
407G52Low69.8Low63 Ų6368 Ų6865%0.64936%0.36SS*.SBendtrans166.9-35.3167.200000114.9
408H53.9Low69.6Low135 Ų13570.8 Ų70.863%0.62537%0.366SS*.SBendtrans-134.7129.2178.2-59.9-54000110.6R440H408-R440 VanDerWaalsContact O-CD 3.22Å; H408-R440 WeakPolarHBondContact O-CD 3.3Å
409P64.3Low68.3Low114 Ų11467.3 Ų67.374%0.7434%0.341SS*.PPolyproline II helixtrans-58.7149.6168.426.8-32.5000109.2
410L67.4Low67.1Low47 Ų4771.5 Ų71.525%0.24637%0.369CS..PPolyproline II helixtrans-53138.5168.4-76.3167.5000108.6W414 I416 F426 P439 R440L410-W414 HydrophobicContact CB-CB 4.13Å; L410-W414 HydrophobicContact CD2-CB 4.36Å; L410-I416 HydrophobicContact CD1-CB 4.09Å; L410-I416 HydrophobicContact CD1-CG2 4.08Å; L410-F426 HydrophobicContact CD2-CD1 3.99Å; L410-F426 HydrophobicContact CD2-CE1 4.25Å; L410-P439 HydrophobicContact CD2-CG 3.66Å; L410-R440 HydrophobicContact CD2-CG 4.04Å
411P74.3Confident65.9Low46 Ų4670.5 Ų70.530%0.29937%0.37SS..PPolyproline II helixtrans-55.6155.4175.3-22.633.1000111G413 W414 P439P411-G413 PolarHBondContact O-N 2.96Å; P411-W414 HydrophobicContact CB-CG 4.33Å; P411-W414 WeakPolarHBondContact O-CB 3.32Å; P411-W414 PolarHBondContact O-N 3.41Å; P411-P439 HydrophobicContact CG-CB 4.08Å; P411-P439 HydrophobicContact CG-CG 4.5Å
412H73.3Confident65.1Low174 Ų17468.1 Ų68.181%0.80637%0.371SS*.THydrogen-bonded Turntrans-56.9133.8-179.8-173.176000111W414 N430H412-W414 VanDerWaalsContact C-N 3.32Å; H412-N430 PolarHBondContact O-ND2 2.72Å
413G76.5Confident64.2Low19 Ų1968.1 Ų68.120%0.19637%0.37CS..THydrogen-bonded Turntrans82.4-0.3-174.900000114.9P411 H429P411-G413 PolarHBondContact O-N 2.96Å; G413-H429 VanDerWaalsContact O-CB 3.25Å; G413-H429 WeakPolarHBondContact O-CB 3.25Å; G413-H429 PolarHBondContact O-CD2 3.25Å; G413-H429 VanDerWaalsContact O-CD2 3.24Å; G413-H429 PolarHBondContact O-N 2.94Å
414W82.4Confident64Low45 Ų4568.8 Ų68.817%0.1738%0.375CS..EExtended strand (participates in β ladder)trans-97.9136.2174.8-71.274.8000112.4L410 P411 H412 F426 V427 D428 T435 P439 I448L410-W414 HydrophobicContact CB-CB 4.13Å; L410-W414 HydrophobicContact CD2-CB 4.36Å; P411-W414 HydrophobicContact CB-CG 4.33Å; P411-W414 WeakPolarHBondContact O-CB 3.32Å; P411-W414 PolarHBondContact O-N 3.41Å; H412-W414 VanDerWaalsContact C-N 3.32Å; W414-F426 HydrophobicContact CE3-CB 3.81Å; W414-F426 HydrophobicContact CZ3-CB 3.81Å; W414-V427 CarbonylContact C-O 3.49Å; W414-V427 WeakPolarHBondContact CA-O 3.38Å; W414-D428 HydrophobicContact CD2-CB 3.9Å; W414-D428 HydrophobicContact CE3-CB 3.99Å; W414-D428 HydrophobicContact CH2-CB 3.87Å; W414-D428 HydrophobicContact CZ2-CB 3.69Å; W414-D428 HydrophobicContact CZ3-CB 4.01Å; W414-T435 HydrophobicContact CH2-CG2 3.8Å; W414-T435 HydrophobicContact CZ3-CG2 3.53Å; W414-P439 HydrophobicContact CB-CG 4.12Å; W414-P439 HydrophobicContact CD2-CB 3.5Å; W414-P439 HydrophobicContact CD2-CG 3.55Å; W414-P439 HydrophobicContact CE3-CB 3.56Å; W414-P439 HydrophobicContact CE3-CG 3.37Å; W414-P439 HydrophobicContact CG-CB 4.08Å; W414-P439 HydrophobicContact CG-CG 3.92Å; W414-P439 HydrophobicContact CH2-CB 3.91Å; W414-P439 HydrophobicContact CZ2-CB 3.91Å; W414-P439 HydrophobicContact CZ3-CB 3.74Å; W414-P439 HydrophobicContact CZ3-CG 3.89Å; W414-I448 HydrophobicContact CZ2-CD1 4.13Å
415E78.1Confident64.2Low29 Ų2967.4 Ų67.414%0.13637%0.37CS..EExtended strand (participates in β ladder)trans-128133.2178.8-177.8-168.3138.700109.7M1 R417 F426 V427 H429M1-E415 HydrophobicContact CE-CG 4.04Å; M1-E415 WeakPolarHBondContact CE-OE1 3.45Å; M1-E415 WeakPolarHBondContact CE-OE2 3.32Å; M1-E415 VanDerWaalsContact SD-CD 3.59Å; M1-E415 HydrophobicContact SD-CG 4.12Å; E415-R417 HydrophobicContact CG-CG 4.35Å; E415-R417 WeakPolarHBondContact OE1-CG 3.34Å; E415-R417 IonicContact OE1-CZ 2.72Å; E415-R417 IonicContact OE1-NE 2.75Å; E415-R417 PolarHBondContact OE1-NE 2.63Å; E415-R417 IonicContact OE1-NH2 3.55Å; E415-R417 PolarHBondContact OE1-NH2 2.73Å; E415-R417 IonicContact OE2-NH2 2.84Å; E415-F426 CarbonylContact O-C 3.53Å; E415-F426 VanDerWaalsContact O-CA 3.32Å; E415-F426 WeakPolarHBondContact O-CA 3.41Å; E415-V427 HydrophobicContact CB-CB 4.35Å; E415-V427 PolarHBondContact N-O 3.32Å; E415-V427 PolarHBondContact O-N 3.02Å; E415-H429 WeakPolarHBondContact CB-NE2 3.42Å; E415-H429 IonicContact OE2-CD2 3.98Å; E415-H429 IonicContact OE2-CE1 3.91Å; E415-H429 PolarHBondContact OE2-CE1 2.82Å; E415-H429 IonicContact OE2-NE2 3.45Å; E415-H429 PolarHBondContact OE2-NE2 2.7Å
416I76.4Confident65Low49 Ų4963.8 Ų63.825%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-87.5127.4168.4-170.1172000109.5L410 Y418 P424 F425 F426L410-I416 HydrophobicContact CD1-CB 4.09Å; L410-I416 HydrophobicContact CD1-CG2 4.08Å; I416-Y418 HydrophobicContact CG1-CE2 4.45Å; I416-P424 HydrophobicContact CD1-CB 3.98Å; I416-P424 HydrophobicContact CG1-CB 4.23Å; I416-F425 CarbonylContact C-O 3.52Å; I416-F425 WeakPolarHBondContact CA-O 3.33Å; I416-F426 HydrophobicContact CB-CD1 4.2Å; I416-F426 HydrophobicContact CB-CE1 4.25Å; I416-F426 HydrophobicContact CD1-CE1 3.81Å; I416-F426 HydrophobicContact CD1-CZ 4.16Å; I416-F426 HydrophobicContact CG1-CD1 4.21Å; I416-F426 HydrophobicContact CG1-CE1 3.95Å; I416-F426 HydrophobicContact CG1-CZ 4.5Å
417R75.7Confident66.5Low38 Ų3860 Ų6014%0.14333%0.334CS..EExtended strand (participates in β ladder)trans-119.7165.8172-72.6-166.1175.5171.35.1110.3E4 E415 P424 F425 V427E4-R417 IonicContact OE1-NH1 2.65Å; E4-R417 PolarHBondContact OE1-NH1 2.71Å; E4-R417 IonicContact OE2-CZ 3.52Å; E4-R417 IonicContact OE2-NH1 3.57Å; E4-R417 PolarHBondContact OE2-NH1 2.94Å; E415-R417 HydrophobicContact CG-CG 4.35Å; E415-R417 WeakPolarHBondContact OE1-CG 3.34Å; E415-R417 IonicContact OE1-CZ 2.72Å; E415-R417 IonicContact OE1-NE 2.75Å; E415-R417 PolarHBondContact OE1-NE 2.63Å; E415-R417 IonicContact OE1-NH2 3.55Å; E415-R417 PolarHBondContact OE1-NH2 2.73Å; E415-R417 IonicContact OE2-NH2 2.84Å; R417-P424 CarbonylContact O-C 3.55Å; R417-P424 VanDerWaalsContact O-CA 3.29Å; R417-P424 WeakPolarHBondContact O-CA 3.2Å; R417-F425 HydrophobicContact CB-CD1 3.7Å; R417-F425 HydrophobicContact CB-CD2 4.14Å; R417-F425 HydrophobicContact CB-CE1 3.22Å; R417-F425 HydrophobicContact CB-CE2 3.69Å; R417-F425 HydrophobicContact CB-CG 4.17Å; R417-F425 HydrophobicContact CB-CZ 3.23Å; R417-F425 HydrophobicContact CG-CE1 4.41Å; R417-F425 HydrophobicContact CG-CE2 4.27Å; R417-F425 HydrophobicContact CG-CZ 3.99Å; R417-F425 PolarHBondContact N-O 3.16Å; R417-F425 WeakPolarHBondContact O-CD1 3.23Å; R417-F425 PolarHBondContact O-N 2.8Å; R417-F425 VanDerWaalsContact O-O 3.12Å; R417-V427 HydrophobicContact CG-CG2 4.1Å
418Y69.9Low67.9Low140 Ų14057.6 Ų57.655%0.54931%0.307SS..EExtended strand (participates in β ladder)trans-122.6137.6175-65.2-93.2000110I416 G422 F423 P424I416-Y418 HydrophobicContact CG1-CE2 4.45Å; Y418-G422 WeakPolarHBondContact CD1-O 3.45Å; Y418-F423 CarbonylContact C-O 3.55Å; Y418-F423 WeakPolarHBondContact CA-O 3.49Å; Y418-P424 HydrophobicContact CD1-CB 4.13Å; Y418-P424 HydrophobicContact CE1-CB 3.8Å
419T56.7Low69.1Low10 Ų1055.5 Ų55.56%0.06130%0.297CS..  trans-76.5156.3170.671.40000107.7R5 E421 G422 F423 F425 Y436R5-T419 VanDerWaalsContact NE-C 3.35Å; R5-T419 PolarHBondContact NE-OG1 3.21Å; R5-T419 PolarHBondContact NH2-OG1 3.26Å; T419-E421 PolarHBondContact O-N 3.03Å; T419-G422 WeakPolarHBondContact O-CA 3.14Å; T419-G422 PolarHBondContact O-N 3.11Å; T419-F423 HydrophobicContact CG2-CB 4.35Å; T419-F423 WeakPolarHBondContact CG2-O 3.45Å; T419-F423 PolarHBondContact N-O 2.93Å; T419-F423 WeakPolarHBondContact OG1-CA 3.25Å; T419-F423 WeakPolarHBondContact OG1-CB 3.46Å; T419-F423 PolarHBondContact OG1-N 2.83Å; T419-F423 VanDerWaalsContact OG1-N 3.09Å; T419-F423 PolarHBondContact OG1-O 3.38Å; T419-F425 HydrophobicContact CG2-CD1 3.38Å; T419-F425 HydrophobicContact CG2-CE1 3.75Å; T419-F425 HydrophobicContact CG2-CG 4.27Å; T419-Y436 HydrophobicContact CG2-CE1 4.03Å
420T53.1Low69.7Low121 Ų12154.8 Ų54.874%0.74229%0.287SS*.THydrogen-bonded Turntrans-64.5-5.5-171.770.10000117R5R5-T420 HydrophobicContact CB-CG2 3.48Å; R5-T420 VanDerWaalsContact CB-CG2 3.48Å; R5-T420 VanDerWaalsContact CD-OG1 3.22Å; R5-T420 WeakPolarHBondContact CD-OG1 3.46Å; R5-T420 HydrophobicContact CG-CG2 3.71Å; R5-T420 VanDerWaalsContact NH1-CA 3.31Å; R5-T420 PolarHBondContact NH1-OG1 3.13Å
421E51.3Low70.4Confident102 Ų10256.4 Ų56.448%0.47730%0.299SS..THydrogen-bonded Turntrans-107.70.4177.4-60.2123.5-15800107R5 T419 F423R5-E421 IonicContact CZ-OE1 2.69Å; R5-E421 IonicContact CZ-OE2 3.84Å; R5-E421 IonicContact NE-OE2 3.65Å; R5-E421 VanDerWaalsContact NH1-CB 3.3Å; R5-E421 IonicContact NH1-OE1 2.94Å; R5-E421 PolarHBondContact NH1-OE1 3.01Å; R5-E421 IonicContact NH1-OE2 3.66Å; R5-E421 PolarHBondContact NH1-OE2 3.13Å; R5-E421 IonicContact NH2-OE1 3.61Å; R5-E421 IonicContact NH2-OE2 3.4Å; R5-E421 PolarHBondContact NH2-OE2 2.67Å; T419-E421 PolarHBondContact O-N 3.03Å; E421-F423 HydrophobicContact CB-CD2 4.22Å; E421-F423 HydrophobicContact CB-CE2 3.97Å; E421-F423 VanDerWaalsContact OE2-CE2 3.25Å; E421-F423 WeakPolarHBondContact OE2-CE2 3.39Å
422G50.1Low70.7Confident47 Ų4763.1 Ų63.149%0.48532%0.323SS..SBendtrans975.5172.600000116.1Y418 T419Y418-G422 WeakPolarHBondContact CD1-O 3.45Å; T419-G422 WeakPolarHBondContact O-CA 3.14Å; T419-G422 PolarHBondContact O-N 3.11Å
423F50.1Low70.8Confident16 Ų1658.3 Ų58.37%0.0731%0.306CS..  trans-74.8129.7177.5-55.8-78.4000111.9Y418 T419 E421 L464Y418-F423 CarbonylContact C-O 3.55Å; Y418-F423 WeakPolarHBondContact CA-O 3.49Å; T419-F423 HydrophobicContact CG2-CB 4.35Å; T419-F423 WeakPolarHBondContact CG2-O 3.45Å; T419-F423 PolarHBondContact N-O 2.93Å; T419-F423 WeakPolarHBondContact OG1-CA 3.25Å; T419-F423 WeakPolarHBondContact OG1-CB 3.46Å; T419-F423 PolarHBondContact OG1-N 2.83Å; T419-F423 VanDerWaalsContact OG1-N 3.09Å; T419-F423 PolarHBondContact OG1-O 3.38Å; E421-F423 HydrophobicContact CB-CD2 4.22Å; E421-F423 HydrophobicContact CB-CE2 3.97Å; E421-F423 VanDerWaalsContact OE2-CE2 3.25Å; E421-F423 WeakPolarHBondContact OE2-CE2 3.39Å; F423-L464 HydrophobicContact CE1-CD1 3.48Å; F423-L464 VanDerWaalsContact CE1-CD1 3.48Å; F423-L464 HydrophobicContact CE1-CD2 3.38Å; F423-L464 HydrophobicContact CE1-CG 3.84Å; F423-L464 HydrophobicContact CE2-CD2 4.45Å; F423-L464 HydrophobicContact CZ-CD1 3.35Å; F423-L464 HydrophobicContact CZ-CD2 3.24Å; F423-L464 HydrophobicContact CZ-CG 3.83Å
424P61.8Low70.7Confident31 Ų3161.1 Ų61.120%0.20132%0.323CS..EExtended strand (participates in β ladder)trans-69.8141.7170.529.8-33000110.7I416 R417 Y418 Y436I416-P424 HydrophobicContact CD1-CB 3.98Å; I416-P424 HydrophobicContact CG1-CB 4.23Å; R417-P424 CarbonylContact O-C 3.55Å; R417-P424 VanDerWaalsContact O-CA 3.29Å; R417-P424 WeakPolarHBondContact O-CA 3.2Å; Y418-P424 HydrophobicContact CD1-CB 4.13Å; Y418-P424 HydrophobicContact CE1-CB 3.8Å; P424-Y436 WeakPolarHBondContact O-CD1 3.25Å
425F70Confident70.1Confident13 Ų1360.8 Ų60.86%0.05733%0.326CS..EExtended strand (participates in β ladder)trans-137.7158.2165.570.3-80.3000109.2E4 I416 R417 T419 V427 Y436E4-F425 HydrophobicContact CB-CZ 4.09Å; I416-F425 CarbonylContact C-O 3.52Å; I416-F425 WeakPolarHBondContact CA-O 3.33Å; R417-F425 HydrophobicContact CB-CD1 3.7Å; R417-F425 HydrophobicContact CB-CD2 4.14Å; R417-F425 HydrophobicContact CB-CE1 3.22Å; R417-F425 HydrophobicContact CB-CE2 3.69Å; R417-F425 HydrophobicContact CB-CG 4.17Å; R417-F425 HydrophobicContact CB-CZ 3.23Å; R417-F425 HydrophobicContact CG-CE1 4.41Å; R417-F425 HydrophobicContact CG-CE2 4.27Å; R417-F425 HydrophobicContact CG-CZ 3.99Å; R417-F425 PolarHBondContact N-O 3.16Å; R417-F425 WeakPolarHBondContact O-CD1 3.23Å; R417-F425 PolarHBondContact O-N 2.8Å; R417-F425 VanDerWaalsContact O-O 3.12Å; T419-F425 HydrophobicContact CG2-CD1 3.38Å; T419-F425 HydrophobicContact CG2-CE1 3.75Å; T419-F425 HydrophobicContact CG2-CG 4.27Å; F425-V427 HydrophobicContact CD2-CG2 3.85Å; F425-V427 HydrophobicContact CE2-CG2 3.5Å; F425-V427 VanDerWaalsContact CE2-CG2 3.5Å; F425-Y436 HydrophobicContact CB-CD1 3.61Å; F425-Y436 HydrophobicContact CB-CE1 3.69Å; F425-Y436 HydrophobicContact CB-CG 4.29Å
426F78.8Confident69.6Low8 Ų862.5 Ų62.54%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-117.7119.4-172-55.3-89.6000108.8L410 W414 E415 I416 S434 T435 N437 D438 P439L410-F426 HydrophobicContact CD2-CD1 3.99Å; L410-F426 HydrophobicContact CD2-CE1 4.25Å; W414-F426 HydrophobicContact CE3-CB 3.81Å; W414-F426 HydrophobicContact CZ3-CB 3.81Å; E415-F426 CarbonylContact O-C 3.53Å; E415-F426 VanDerWaalsContact O-CA 3.32Å; E415-F426 WeakPolarHBondContact O-CA 3.41Å; I416-F426 HydrophobicContact CB-CD1 4.2Å; I416-F426 HydrophobicContact CB-CE1 4.25Å; I416-F426 HydrophobicContact CD1-CE1 3.81Å; I416-F426 HydrophobicContact CD1-CZ 4.16Å; I416-F426 HydrophobicContact CG1-CD1 4.21Å; I416-F426 HydrophobicContact CG1-CE1 3.95Å; I416-F426 HydrophobicContact CG1-CZ 4.5Å; F426-S434 CarbonylContact O-C 3.59Å; F426-S434 WeakPolarHBondContact O-CA 3.21Å; F426-T435 HydrophobicContact CB-CG2 4.29Å; F426-T435 PolarHBondContact N-O 2.97Å; F426-T435 PolarHBondContact O-N 3.5Å; F426-N437 VanDerWaalsContact CD2-O 3.25Å; F426-N437 WeakPolarHBondContact CD2-O 3.45Å; F426-D438 HydrophobicContact CD2-CB 4.35Å; F426-D438 HydrophobicContact CE1-CB 3.93Å; F426-D438 VanDerWaalsContact CE1-CG 3.43Å; F426-D438 HydrophobicContact CE2-CB 3.6Å; F426-D438 HydrophobicContact CZ-CB 3.35Å; F426-D438 VanDerWaalsContact CZ-OD2 3.31Å; F426-D438 WeakPolarHBondContact CZ-OD2 3.41Å; F426-P439 HydrophobicContact CD1-CG 4.2Å; F426-P439 VanDerWaalsContact CG-CD 3.49Å
427V79.6Confident69.1Low13 Ų1362.4 Ų62.48%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-96.3118.8177.8-178.90000108W414 E415 R417 F425 T433W414-V427 CarbonylContact C-O 3.49Å; W414-V427 WeakPolarHBondContact CA-O 3.38Å; E415-V427 HydrophobicContact CB-CB 4.35Å; E415-V427 PolarHBondContact N-O 3.32Å; E415-V427 PolarHBondContact O-N 3.02Å; R417-V427 HydrophobicContact CG-CG2 4.1Å; F425-V427 HydrophobicContact CD2-CG2 3.85Å; F425-V427 HydrophobicContact CE2-CG2 3.5Å; F425-V427 VanDerWaalsContact CE2-CG2 3.5Å; V427-T433 CarbonylContact C-O 3.52Å
428D82.2Confident68.8Low13 Ų1361.3 Ų61.37%0.0733%0.328CS..EExtended strand (participates in β ladder)trans-90.9100.7168.8-179.212.9000109.3W414 N430 T431 K432 T433W414-D428 HydrophobicContact CD2-CB 3.9Å; W414-D428 HydrophobicContact CE3-CB 3.99Å; W414-D428 HydrophobicContact CH2-CB 3.87Å; W414-D428 HydrophobicContact CZ2-CB 3.69Å; W414-D428 HydrophobicContact CZ3-CB 4.01Å; D428-N430 PolarHBondContact O-N 2.72Å; D428-N430 WeakPolarHBondContact OD1-CB 3.47Å; D428-N430 PolarHBondContact OD1-N 2.93Å; D428-N430 PolarHBondContact OD1-ND2 3.11Å; D428-T431 WeakPolarHBondContact CB-OG1 2.98Å; D428-T431 VanDerWaalsContact CG-OG1 3.22Å; D428-T431 PolarHBondContact O-N 2.82Å; D428-T431 WeakPolarHBondContact OD2-CB 3.22Å; D428-T431 VanDerWaalsContact OD2-CG2 3.23Å; D428-T431 WeakPolarHBondContact OD2-CG2 3.36Å; D428-T431 PolarHBondContact OD2-OG1 3.35Å; D428-K432 VanDerWaalsContact O-CA 3.24Å; D428-K432 WeakPolarHBondContact O-CA 3.42Å; D428-K432 PolarHBondContact O-N 3.23Å; D428-T433 PolarHBondContact N-O 3.02Å; D428-T433 PolarHBondContact O-N 3.06Å; D428-T433 VanDerWaalsContact O-N 3.16Å
429H79.5Confident68.8Low90 Ų9054.7 Ų54.742%0.41730%0.302SS..THydrogen-bonded Turntrans-67.1-17176.5-67.4-78.8000113.2G413 E415G413-H429 VanDerWaalsContact O-CB 3.25Å; G413-H429 WeakPolarHBondContact O-CB 3.25Å; G413-H429 PolarHBondContact O-CD2 3.25Å; G413-H429 VanDerWaalsContact O-CD2 3.24Å; G413-H429 PolarHBondContact O-N 2.94Å; E415-H429 WeakPolarHBondContact CB-NE2 3.42Å; E415-H429 IonicContact OE2-CD2 3.98Å; E415-H429 IonicContact OE2-CE1 3.91Å; E415-H429 PolarHBondContact OE2-CE1 2.82Å; E415-H429 IonicContact OE2-NE2 3.45Å; E415-H429 PolarHBondContact OE2-NE2 2.7Å
430N77.2Confident69.4Low99 Ų9956.2 Ų56.253%0.52931%0.307SS..THydrogen-bonded Turntrans-73.4-44176.9-51.9-64.3000110.9H412 D428H412-N430 PolarHBondContact O-ND2 2.72Å; D428-N430 PolarHBondContact O-N 2.72Å; D428-N430 WeakPolarHBondContact OD1-CB 3.47Å; D428-N430 PolarHBondContact OD1-N 2.93Å; D428-N430 PolarHBondContact OD1-ND2 3.11Å
431T81.8Confident69.8Low81 Ų8153.6 Ų53.650%0.49728%0.284SS..THydrogen-bonded Turntrans-96.9-7.4178.959.80000113.4D428 T433D428-T431 WeakPolarHBondContact CB-OG1 2.98Å; D428-T431 VanDerWaalsContact CG-OG1 3.22Å; D428-T431 PolarHBondContact O-N 2.82Å; D428-T431 WeakPolarHBondContact OD2-CB 3.22Å; D428-T431 VanDerWaalsContact OD2-CG2 3.23Å; D428-T431 WeakPolarHBondContact OD2-CG2 3.36Å; D428-T431 PolarHBondContact OD2-OG1 3.35Å; T431-T433 PolarHBondContact O-N 3.2Å; T431-T433 PolarHBondContact OG1-OG1 3.33Å
432K79.7Confident69.9Low188 Ų18855 Ų5582%0.81729%0.288SS*.THydrogen-bonded Turntrans55.238.7-171.9-56.2-179.7-1791790112D428D428-K432 VanDerWaalsContact O-CA 3.24Å; D428-K432 WeakPolarHBondContact O-CA 3.42Å; D428-K432 PolarHBondContact O-N 3.23Å
433T75.7Confident70.1Confident73 Ų7355.5 Ų55.545%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-112.8158.4176.864.40000110V427 D428 T431V427-T433 CarbonylContact C-O 3.52Å; D428-T433 PolarHBondContact N-O 3.02Å; D428-T433 PolarHBondContact O-N 3.06Å; D428-T433 VanDerWaalsContact O-N 3.16Å; T431-T433 PolarHBondContact O-N 3.2Å; T431-T433 PolarHBondContact OG1-OG1 3.33Å
434S75Confident69.8Low78 Ų7860.2 Ų60.255%0.54532%0.322SS..EExtended strand (participates in β ladder)trans-121.3139.616959.20000108.5F426F426-S434 CarbonylContact O-C 3.59Å; F426-S434 WeakPolarHBondContact O-CA 3.21Å
435T69.2Low69Low38 Ų3863.4 Ų63.423%0.23335%0.345CS..EExtended strand (participates in β ladder)trans-137.2157.6176.1179.80000109.4W414 F426 N437W414-T435 HydrophobicContact CH2-CG2 3.8Å; W414-T435 HydrophobicContact CZ3-CG2 3.53Å; F426-T435 HydrophobicContact CB-CG2 4.29Å; F426-T435 PolarHBondContact N-O 2.97Å; F426-T435 PolarHBondContact O-N 3.5Å; T435-N437 VanDerWaalsContact C-N 3.35Å; T435-N437 HydrophobicContact CG2-CB 4.47Å; T435-N437 WeakPolarHBondContact CG2-O 3.35Å; T435-N437 PolarHBondContact OG1-N 3.3Å; T435-N437 VanDerWaalsContact OG1-N 3.11Å
436Y67.7Low67.7Low65 Ų6564.5 Ų64.526%0.25536%0.36SS..SBendtrans-93-3.2170.9-64.8-89.3000112.7T419 P424 F425 Q697 Y698T419-Y436 HydrophobicContact CG2-CE1 4.03Å; P424-Y436 WeakPolarHBondContact O-CD1 3.25Å; F425-Y436 HydrophobicContact CB-CD1 3.61Å; F425-Y436 HydrophobicContact CB-CE1 3.69Å; F425-Y436 HydrophobicContact CB-CG 4.29Å; Y436-Q697 PolarHBondContact OH-OE1 2.89Å; Y436-Y698 AromaticContact CD1-CE1 3.69Å; Y436-Y698 HydrophobicContact CD1-CE1 3.69Å; Y436-Y698 AromaticContact CD1-CZ 3.79Å; Y436-Y698 WeakPolarHBondContact CD1-OH 3.47Å; Y436-Y698 AromaticContact CD2-CE1 3.71Å; Y436-Y698 HydrophobicContact CD2-CE1 3.71Å; Y436-Y698 HydrophobicContact CE1-CE1 4.44Å; Y436-Y698 HydrophobicContact CE2-CE1 4.46Å; Y436-Y698 HydrophobicContact CG-CD1 4.34Å; Y436-Y698 AromaticContact CG-CE1 3.27Å; Y436-Y698 HydrophobicContact CG-CE1 3.27Å; Y436-Y698 AromaticContact CG-CZ 3.87Å
437N65.6Low66.4Low46 Ų4669 Ų6925%0.24639%0.385CS..SBendtrans-79.5126.3174.2-63.5-32.4000110F426 T435 P439 Q450F426-N437 VanDerWaalsContact CD2-O 3.25Å; F426-N437 WeakPolarHBondContact CD2-O 3.45Å; T435-N437 VanDerWaalsContact C-N 3.35Å; T435-N437 HydrophobicContact CG2-CB 4.47Å; T435-N437 WeakPolarHBondContact CG2-O 3.35Å; T435-N437 PolarHBondContact OG1-N 3.3Å; T435-N437 VanDerWaalsContact OG1-N 3.11Å; N437-P439 WeakPolarHBondContact O-CD 3.25Å; N437-Q450 PolarHBondContact ND2-O 2.82Å
438D70.4Confident65Low15 Ų1571.2 Ų71.28%0.0840%0.395CS..  trans-72.7116.5-179.5-169.3-30.7000110.8F426 R440 R441F426-D438 HydrophobicContact CD2-CB 4.35Å; F426-D438 HydrophobicContact CE1-CB 3.93Å; F426-D438 VanDerWaalsContact CE1-CG 3.43Å; F426-D438 HydrophobicContact CE2-CB 3.6Å; F426-D438 HydrophobicContact CZ-CB 3.35Å; F426-D438 VanDerWaalsContact CZ-OD2 3.31Å; F426-D438 WeakPolarHBondContact CZ-OD2 3.41Å; D438-R440 PolarHBondContact O-N 3.34Å; D438-R440 VanDerWaalsContact OD1-CB 3.25Å; D438-R440 WeakPolarHBondContact OD1-CB 3.47Å; D438-R440 WeakPolarHBondContact OD1-CG 3.28Å; D438-R440 IonicContact OD1-CZ 2.81Å; D438-R440 PolarHBondContact OD1-N 3.25Å; D438-R440 IonicContact OD1-NE 2.8Å; D438-R440 PolarHBondContact OD1-NE 2.97Å; D438-R440 IonicContact OD1-NH2 3.97Å; D438-R440 IonicContact OD2-CZ 2.75Å; D438-R440 IonicContact OD2-NE 3.77Å; D438-R440 PolarHBondContact OD2-NE 3.14Å; D438-R440 IonicContact OD2-NH2 3.03Å; D438-R440 PolarHBondContact OD2-NH2 2.82Å; D438-R441 HydrophobicContact CB-CG 4.27Å; D438-R441 PolarHBondContact O-N 3.14Å; D438-R441 VanDerWaalsContact O-N 3.13Å
439P69.7Low63.5Low1 Ų175.1 Ų75.11%0.00641%0.413CS..THydrogen-bonded Turntrans-67.4-8.3-176.334-42000113.5L410 P411 W414 F426 N437 I448L410-P439 HydrophobicContact CD2-CG 3.66Å; P411-P439 HydrophobicContact CG-CB 4.08Å; P411-P439 HydrophobicContact CG-CG 4.5Å; W414-P439 HydrophobicContact CB-CG 4.12Å; W414-P439 HydrophobicContact CD2-CB 3.5Å; W414-P439 HydrophobicContact CD2-CG 3.55Å; W414-P439 HydrophobicContact CE3-CB 3.56Å; W414-P439 HydrophobicContact CE3-CG 3.37Å; W414-P439 HydrophobicContact CG-CB 4.08Å; W414-P439 HydrophobicContact CG-CG 3.92Å; W414-P439 HydrophobicContact CH2-CB 3.91Å; W414-P439 HydrophobicContact CZ2-CB 3.91Å; W414-P439 HydrophobicContact CZ3-CB 3.74Å; W414-P439 HydrophobicContact CZ3-CG 3.89Å; F426-P439 HydrophobicContact CD1-CG 4.2Å; F426-P439 VanDerWaalsContact CG-CD 3.49Å; N437-P439 WeakPolarHBondContact O-CD 3.25Å; P439-I448 HydrophobicContact CB-CD1 4.07Å
440R68.8Low62.3Low43 Ų4378.9 Ų78.916%0.16243%0.431CS..THydrogen-bonded Turntrans-84-20.7177.6-61.7169.7-70.3-177.7-0.4112.6H408 L410 D438 K442H408-R440 VanDerWaalsContact O-CD 3.22Å; H408-R440 WeakPolarHBondContact O-CD 3.3Å; L410-R440 HydrophobicContact CD2-CG 4.04Å; D438-R440 PolarHBondContact O-N 3.34Å; D438-R440 VanDerWaalsContact OD1-CB 3.25Å; D438-R440 WeakPolarHBondContact OD1-CB 3.47Å; D438-R440 WeakPolarHBondContact OD1-CG 3.28Å; D438-R440 IonicContact OD1-CZ 2.81Å; D438-R440 PolarHBondContact OD1-N 3.25Å; D438-R440 IonicContact OD1-NE 2.8Å; D438-R440 PolarHBondContact OD1-NE 2.97Å; D438-R440 IonicContact OD1-NH2 3.97Å; D438-R440 IonicContact OD2-CZ 2.75Å; D438-R440 IonicContact OD2-NE 3.77Å; D438-R440 PolarHBondContact OD2-NE 3.14Å; D438-R440 IonicContact OD2-NH2 3.03Å; D438-R440 PolarHBondContact OD2-NH2 2.82Å; R440-K442 PolarHBondContact O-N 3.01Å
441R61.5Low61.4Low66 Ų6677.1 Ų77.125%0.24943%0.43CS..  trans-73.9122.4174.7-66.5-172.6-178.8-161.2-1.4107.2L371 D438 I448 E449L371-R441 PolarHBondContact O-NH2 3.25Å; D438-R441 HydrophobicContact CB-CG 4.27Å; D438-R441 PolarHBondContact O-N 3.14Å; D438-R441 VanDerWaalsContact O-N 3.13Å; R441-I448 CarbonylContact O-C 3.55Å; R441-I448 VanDerWaalsContact O-CA 3.29Å; R441-I448 WeakPolarHBondContact O-CA 3.27Å; R441-E449 HydrophobicContact CB-CB 3.77Å; R441-E449 PolarHBondContact O-N 3.21Å
442K54.7Low60.5Low131 Ų13175 Ų7557%0.5741%0.413SS*.BIsolated β-bridgetrans-118.9137.7175.9-69.8-178.2172.1-162.90109.5R440 G446 N447R440-K442 PolarHBondContact O-N 3.01Å; K442-G446 WeakPolarHBondContact CD-O 3.33Å; K442-N447 CarbonylContact C-O 3.58Å; K442-N447 WeakPolarHBondContact CA-O 3.5Å; K442-N447 WeakPolarHBondContact CB-O 3.4Å
443D52.8Low60.1Low58 Ų5868.4 Ų68.431%0.3139%0.39SS..  trans-65.6172.8167.967.99.5000110.7S445 G446 N447D443-S445 PolarHBondContact O-N 2.62Å; D443-S445 VanDerWaalsContact OD1-C 3.26Å; D443-S445 VanDerWaalsContact OD1-CA 3.3Å; D443-S445 WeakPolarHBondContact OD1-CA 3.3Å; D443-S445 VanDerWaalsContact OD1-CB 3.32Å; D443-S445 WeakPolarHBondContact OD1-CB 3.01Å; D443-S445 PolarHBondContact OD1-N 3.37Å; D443-G446 PolarHBondContact O-N 2.83Å; D443-G446 PolarHBondContact OD1-N 3.25Å; D443-N447 PolarHBondContact N-O 3.19Å; D443-N447 PolarHBondContact OD1-N 2.79Å
444A44.3Very low60.2Low115 Ų11565.2 Ų65.295%0.9537%0.37SS*.THydrogen-bonded Turntrans-58.7-16.4177.500000113.5
445S44.6Very low60.1Low97 Ų9764.8 Ų64.868%0.67836%0.36SS*.THydrogen-bonded Turntrans-92.7-1.5178.9-55.60000113.1D443 N447D443-S445 PolarHBondContact O-N 2.62Å; D443-S445 VanDerWaalsContact OD1-C 3.26Å; D443-S445 VanDerWaalsContact OD1-CA 3.3Å; D443-S445 WeakPolarHBondContact OD1-CA 3.3Å; D443-S445 VanDerWaalsContact OD1-CB 3.32Å; D443-S445 WeakPolarHBondContact OD1-CB 3.01Å; D443-S445 PolarHBondContact OD1-N 3.37Å; S445-N447 VanDerWaalsContact C-N 3.32Å
446G44.1Very low60.1Low37 Ų3764.8 Ų64.838%0.38136%0.358SS..SBendtrans824.5178.500000114.8K442 D443K442-G446 WeakPolarHBondContact CD-O 3.33Å; D443-G446 PolarHBondContact O-N 2.83Å; D443-G446 PolarHBondContact OD1-N 3.25Å
447N50Low60.8Low103 Ų10362.7 Ų62.755%0.55135%0.351SS*.SBendtrans-81.4151.1172.9-64.2-41000109.7K442 D443 S445 E449K442-N447 CarbonylContact C-O 3.58Å; K442-N447 WeakPolarHBondContact CA-O 3.5Å; K442-N447 WeakPolarHBondContact CB-O 3.4Å; D443-N447 PolarHBondContact N-O 3.19Å; D443-N447 PolarHBondContact OD1-N 2.79Å; S445-N447 VanDerWaalsContact C-N 3.32Å; N447-E449 PolarHBondContact O-N 3.2Å; N447-E449 VanDerWaalsContact O-N 3.11Å
448I50.9Low61.6Low59 Ų5960.5 Ų60.530%0.30334%0.339SS..BIsolated β-bridgetrans-57.3119.7174.6-62.3172.6000108.2W414 P439 R441 Q450W414-I448 HydrophobicContact CZ2-CD1 4.13Å; P439-I448 HydrophobicContact CB-CD1 4.07Å; R441-I448 CarbonylContact O-C 3.55Å; R441-I448 VanDerWaalsContact O-CA 3.29Å; R441-I448 WeakPolarHBondContact O-CA 3.27Å; I448-Q450 WeakPolarHBondContact O-CA 3.32Å; I448-Q450 PolarHBondContact O-N 2.67Å
449E51.5Low61.7Low94 Ų9461 Ų6144%0.43935%0.345SS..  trans-60.6103-179.4-158.1-178.9-154.200107.8R441 N447 A451R441-E449 HydrophobicContact CB-CB 3.77Å; R441-E449 PolarHBondContact O-N 3.21Å; N447-E449 PolarHBondContact O-N 3.2Å; N447-E449 VanDerWaalsContact O-N 3.11Å; E449-A451 VanDerWaalsContact C-N 3.32Å; E449-A451 PolarHBondContact O-N 2.73Å
450Q52.9Low62.1Low169 Ų16961.2 Ų61.279%0.7935%0.347SS*.  trans-80.8-2.8-148.6-126.1172.8-2.700115.3N437 I448N437-Q450 PolarHBondContact ND2-O 2.82Å; I448-Q450 WeakPolarHBondContact O-CA 3.32Å; I448-Q450 PolarHBondContact O-N 2.67Å
451A58.4Low62.9Low62 Ų6259.3 Ų59.351%0.51234%0.339SS..SBendtrans-161.8146.9173.600000112E449 S453E449-A451 VanDerWaalsContact C-N 3.32Å; E449-A451 PolarHBondContact O-N 2.73Å; A451-S453 PolarHBondContact O-N 3.41Å
452W62.9Low63.9Low37 Ų3757 Ų5714%0.1433%0.331CS..  trans-56.1137.2164.4-78.614000110.3P370 N456 K457 S460 Y698P370-W452 WeakPolarHBondContact O-CH2 3.33Å; W452-N456 HydrophobicContact CB-CB 4.36Å; W452-K457 HydrophobicContact CB-CG 3.76Å; W452-K457 HydrophobicContact CE3-CG 4.18Å; W452-K457 WeakPolarHBondContact O-CE 3.36Å; W452-S460 VanDerWaalsContact CZ3-CB 3.41Å; W452-S460 WeakPolarHBondContact CZ3-OG 3.25Å; W452-Y698 HydrophobicContact CE3-CD2 4.23Å; W452-Y698 HydrophobicContact CH2-CE2 4.27Å; W452-Y698 AromaticContact CZ3-CD2 3.94Å; W452-Y698 HydrophobicContact CZ3-CD2 3.94Å; W452-Y698 AromaticContact CZ3-CE2 3.93Å; W452-Y698 HydrophobicContact CZ3-CE2 3.93Å
453S70.7Confident65.1Low50 Ų5054.3 Ų54.335%0.3532%0.318SS..  trans-60.6151.2166.485.40000109.9A451 E455 N456 K457A451-S453 PolarHBondContact O-N 3.41Å; S453-E455 WeakPolarHBondContact CB-OE2 3.22Å; S453-E455 PolarHBondContact O-N 2.86Å; S453-E455 PolarHBondContact OG-OE2 2.83Å; S453-N456 WeakPolarHBondContact O-CB 3.17Å; S453-N456 PolarHBondContact O-N 3.32Å; S453-N456 PolarHBondContact OG-N 2.64Å; S453-N456 PolarHBondContact OG-ND2 3.49Å; S453-K457 WeakPolarHBondContact O-CG 3.29Å; S453-K457 PolarHBondContact O-N 2.88Å
454F77.9Confident66.6Low6 Ų652.3 Ų52.33%0.02631%0.307CS..Hα-helixtrans-52.3-40.8177.7177.7-116.1000111.9N456 K457 V458 F699 E703 V706 L707F454-N456 VanDerWaalsContact C-N 3.29Å; F454-N456 PolarHBondContact O-N 2.75Å; F454-K457 WeakPolarHBondContact O-CB 3.49Å; F454-K457 PolarHBondContact O-N 3.24Å; F454-K457 VanDerWaalsContact O-N 3.12Å; F454-V458 HydrophobicContact CD1-CG2 4.2Å; F454-V458 HydrophobicContact CD2-CG2 4.17Å; F454-V458 HydrophobicContact CE1-CG2 3.88Å; F454-V458 HydrophobicContact CE2-CG2 3.84Å; F454-V458 HydrophobicContact CG-CG2 4.34Å; F454-V458 HydrophobicContact CZ-CG2 3.68Å; F454-V458 VanDerWaalsContact O-CG2 3.29Å; F454-V458 WeakPolarHBondContact O-CG2 3.49Å; F454-V458 PolarHBondContact O-N 2.95Å; F454-F699 HydrophobicContact CD2-CD1 4.2Å; F454-F699 HydrophobicContact CD2-CE1 4.11Å; F454-F699 HydrophobicContact CE2-CD1 4.03Å; F454-F699 AromaticContact CE2-CE1 3.9Å; F454-F699 HydrophobicContact CE2-CE1 3.9Å; F454-E703 HydrophobicContact CD2-CB 3.76Å; F454-E703 HydrophobicContact CD2-CG 3.72Å; F454-E703 HydrophobicContact CE2-CB 3.75Å; F454-E703 HydrophobicContact CE2-CG 4.19Å; F454-E703 WeakPolarHBondContact CE2-O 3.42Å; F454-V706 HydrophobicContact CE1-CG1 4.01Å; F454-V706 HydrophobicContact CZ-CB 4.24Å; F454-V706 HydrophobicContact CZ-CG1 3.83Å; F454-L707 HydrophobicContact CZ-CB 4.44Å
455E73.8Confident68.7Low68 Ų6847.1 Ų47.132%0.31826%0.264SS..Hα-helixtrans-61.3-39.4180-5769.7-148.300111.3S453 A459 Q748S453-E455 WeakPolarHBondContact CB-OE2 3.22Å; S453-E455 PolarHBondContact O-N 2.86Å; S453-E455 PolarHBondContact OG-OE2 2.83Å; E455-A459 WeakPolarHBondContact O-CB 3.46Å; E455-A459 PolarHBondContact O-N 3.39Å; E455-Q748 PolarHBondContact OE1-NE2 2.83Å; E455-Q748 PolarHBondContact OE1-OE1 2.87Å; E455-Q748 VanDerWaalsContact OE1-OE1 3.13Å
456N69.4Low70.5Confident38 Ų3849.4 Ų49.420%0.20326%0.264CS..Hα-helixtrans-69.4-40.2175.7-73.5-38.7000111.5P373 W452 S453 F454 A459 S460P373-N456 WeakPolarHBondContact CD-OD1 3.31Å; W452-N456 HydrophobicContact CB-CB 4.36Å; S453-N456 WeakPolarHBondContact O-CB 3.17Å; S453-N456 PolarHBondContact O-N 3.32Å; S453-N456 PolarHBondContact OG-N 2.64Å; S453-N456 PolarHBondContact OG-ND2 3.49Å; F454-N456 VanDerWaalsContact C-N 3.29Å; F454-N456 PolarHBondContact O-N 2.75Å; N456-A459 PolarHBondContact O-N 3.11Å; N456-S460 WeakPolarHBondContact O-CB 3.37Å; N456-S460 PolarHBondContact O-N 2.92Å
457K81.6Confident72.4Confident22 Ų2250.6 Ų50.610%0.09627%0.266CS..Hα-helixtrans-59.7-46.9173.8-60.2176.5-174.9-175.20110.9W452 S453 F454 S460 F461 Y698 F699 E703W452-K457 HydrophobicContact CB-CG 3.76Å; W452-K457 HydrophobicContact CE3-CG 4.18Å; W452-K457 WeakPolarHBondContact O-CE 3.36Å; S453-K457 WeakPolarHBondContact O-CG 3.29Å; S453-K457 PolarHBondContact O-N 2.88Å; F454-K457 WeakPolarHBondContact O-CB 3.49Å; F454-K457 PolarHBondContact O-N 3.24Å; F454-K457 VanDerWaalsContact O-N 3.12Å; K457-S460 PolarHBondContact O-N 3.13Å; K457-F461 WeakPolarHBondContact O-CB 3.45Å; K457-F461 PolarHBondContact O-N 3.39Å; K457-Y698 VanDerWaalsContact CD-O 3.27Å; K457-Y698 WeakPolarHBondContact CD-O 3.47Å; K457-Y698 WeakPolarHBondContact CE-O 3.46Å; K457-Y698 PolarHBondContact NZ-O 3.47Å; K457-F699 HydrophobicContact CB-CD1 4.12Å; K457-F699 HydrophobicContact CB-CE1 3.55Å; K457-F699 HydrophobicContact CB-CE2 4.42Å; K457-F699 HydrophobicContact CB-CZ 3.73Å; K457-F699 HydrophobicContact CD-CD1 4.26Å; K457-F699 HydrophobicContact CD-CE1 4.5Å; K457-F699 WeakPolarHBondContact O-CZ 3.48Å; K457-E703 WeakPolarHBondContact CD-OE2 3.49Å; K457-E703 IonicContact NZ-OE1 3.86Å; K457-E703 PolarHBondContact NZ-OE1 3.41Å; K457-E703 IonicContact NZ-OE2 2.82Å; K457-E703 PolarHBondContact NZ-OE2 3.35Å
458V83Confident74.2Confident0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-60.8-49.4176.2172.40000111.5W346 F454 S460 F461 H462 F699 L707W346-V458 HydrophobicContact CB-CG1 4.09Å; W346-V458 HydrophobicContact CG-CG1 4.18Å; F454-V458 HydrophobicContact CD1-CG2 4.2Å; F454-V458 HydrophobicContact CD2-CG2 4.17Å; F454-V458 HydrophobicContact CE1-CG2 3.88Å; F454-V458 HydrophobicContact CE2-CG2 3.84Å; F454-V458 HydrophobicContact CG-CG2 4.34Å; F454-V458 HydrophobicContact CZ-CG2 3.68Å; F454-V458 VanDerWaalsContact O-CG2 3.29Å; F454-V458 WeakPolarHBondContact O-CG2 3.49Å; F454-V458 PolarHBondContact O-N 2.95Å; V458-S460 VanDerWaalsContact C-N 3.27Å; V458-S460 PolarHBondContact O-N 3.23Å; V458-F461 PolarHBondContact O-N 3.01Å; V458-F461 VanDerWaalsContact O-N 3.14Å; V458-H462 VanDerWaalsContact CG1-CE1 3.41Å; V458-H462 WeakPolarHBondContact CG1-CE1 3.42Å; V458-H462 PolarHBondContact O-N 3.21Å; V458-F699 HydrophobicContact CG2-CE1 3.97Å; V458-F699 HydrophobicContact CG2-CZ 4.34Å; V458-L707 HydrophobicContact CG1-CD1 4.44Å; V458-L707 HydrophobicContact CG2-CD1 4.03Å
459A72.5Confident76Confident26 Ų2649.3 Ų49.322%0.21526%0.259CS..Hα-helixtrans-59.9-40.2-179.900000111.8M368 E455 N456 Y463M368-A459 HydrophobicContact CE-CB 4.02Å; E455-A459 WeakPolarHBondContact O-CB 3.46Å; E455-A459 PolarHBondContact O-N 3.39Å; N456-A459 PolarHBondContact O-N 3.11Å; A459-Y463 WeakPolarHBondContact O-CB 3.35Å; A459-Y463 PolarHBondContact O-N 3.12Å
460S77.1Confident77.8Confident5 Ų547 Ų474%0.03525%0.252CS..Hα-helixtrans-64.3-44.5174-170.20000112.2W452 N456 K457 V458 Y463 L464W452-S460 VanDerWaalsContact CZ3-CB 3.41Å; W452-S460 WeakPolarHBondContact CZ3-OG 3.25Å; N456-S460 WeakPolarHBondContact O-CB 3.37Å; N456-S460 PolarHBondContact O-N 2.92Å; K457-S460 PolarHBondContact O-N 3.13Å; V458-S460 VanDerWaalsContact C-N 3.27Å; V458-S460 PolarHBondContact O-N 3.23Å; S460-Y463 WeakPolarHBondContact O-CB 3.5Å; S460-Y463 PolarHBondContact O-N 2.91Å; S460-L464 WeakPolarHBondContact O-CG 3.36Å; S460-L464 PolarHBondContact O-N 2.97Å; S460-L464 VanDerWaalsContact O-N 3.13Å
461F85.3Confident79.2Confident3 Ų345.8 Ų45.81%0.01326%0.256CS..Hα-helixtrans-62.9-43.9176.6177.3-105.1000112.6K457 V458 Y463 L464 C465 L575 F691 W695 L696 F699 L707K457-F461 WeakPolarHBondContact O-CB 3.45Å; K457-F461 PolarHBondContact O-N 3.39Å; V458-F461 PolarHBondContact O-N 3.01Å; V458-F461 VanDerWaalsContact O-N 3.14Å; F461-Y463 VanDerWaalsContact C-N 3.32Å; F461-Y463 PolarHBondContact O-N 3.45Å; F461-L464 WeakPolarHBondContact O-CB 3.36Å; F461-L464 PolarHBondContact O-N 3.17Å; F461-L464 VanDerWaalsContact O-N 3.15Å; F461-C465 VanDerWaalsContact CZ-SG 3.54Å; F461-C465 PolarHBondContact O-N 3.25Å; F461-C465 PolarHBondContact O-SG 3.24Å; F461-L575 HydrophobicContact CE1-CB 4.14Å; F461-L575 HydrophobicContact CZ-CB 4Å; F461-F691 HydrophobicContact CE2-CD2 4.34Å; F461-F691 AromaticContact CE2-CE2 3.75Å; F461-F691 HydrophobicContact CE2-CE2 3.75Å; F461-F691 AromaticContact CE2-CZ 3.87Å; F461-F691 HydrophobicContact CE2-CZ 3.87Å; F461-F691 HydrophobicContact CZ-CE1 4.08Å; F461-F691 HydrophobicContact CZ-CE2 4.01Å; F461-F691 AromaticContact CZ-CZ 3.63Å; F461-F691 HydrophobicContact CZ-CZ 3.63Å; F461-W695 HydrophobicContact CD2-CB 4.19Å; F461-W695 HydrophobicContact CE2-CB 4.12Å; F461-W695 HydrophobicContact CE2-CE3 4.3Å; F461-L696 HydrophobicContact CD2-CD2 3.9Å; F461-L696 HydrophobicContact CE2-CD2 3.61Å; F461-L696 HydrophobicContact CE2-CG 4.49Å; F461-L696 HydrophobicContact CZ-CD2 4.08Å; F461-F699 HydrophobicContact CB-CE2 3.92Å; F461-F699 HydrophobicContact CB-CZ 3.95Å; F461-F699 HydrophobicContact CG-CE2 4.23Å; F461-F699 HydrophobicContact CG-CZ 4.48Å; F461-L707 HydrophobicContact CD1-CD2 4.19Å; F461-L707 HydrophobicContact CE1-CD2 4.35Å
462H84.4Confident80.6Confident16 Ų1650 Ų507%0.07426%0.263CS..Hα-helixtrans-62.5-38.5174.9-73.3172.5000112.4N347 M368 V458 L464 C465 H466 S578N347-H462 PolarHBondContact OD1-CE1 2.93Å; M368-H462 HydrophobicContact CE-CB 3.8Å; M368-H462 HydrophobicContact SD-CB 3.64Å; V458-H462 VanDerWaalsContact CG1-CE1 3.41Å; V458-H462 WeakPolarHBondContact CG1-CE1 3.42Å; V458-H462 PolarHBondContact O-N 3.21Å; H462-L464 VanDerWaalsContact C-N 3.29Å; H462-L464 PolarHBondContact O-N 3.29Å; H462-C465 PolarHBondContact O-N 3.43Å; H462-H466 WeakPolarHBondContact O-CB 3.23Å; H462-H466 PolarHBondContact O-N 3.12Å; H462-S578 PolarHBondContact CD2-OG 2.96Å; H462-S578 PolarHBondContact NE2-OG 3.37Å
463Y78.5Confident81.8Confident76 Ų7652.9 Ų52.930%0.29828%0.281SS..Hα-helixtrans-58.3-42.3173175.3-104.3000112M368 P370 A459 S460 F461 H466 S467M368-Y463 HydrophobicContact CB-CD2 3.89Å; M368-Y463 HydrophobicContact CB-CG 4.39Å; M368-Y463 WeakPolarHBondContact O-CD2 3.47Å; M368-Y463 WeakPolarHBondContact O-CE2 3.33Å; P370-Y463 HydrophobicContact CB-CD1 4.45Å; P370-Y463 HydrophobicContact CG-CE1 4.18Å; A459-Y463 WeakPolarHBondContact O-CB 3.35Å; A459-Y463 PolarHBondContact O-N 3.12Å; S460-Y463 WeakPolarHBondContact O-CB 3.5Å; S460-Y463 PolarHBondContact O-N 2.91Å; F461-Y463 VanDerWaalsContact C-N 3.32Å; F461-Y463 PolarHBondContact O-N 3.45Å; Y463-H466 PolarHBondContact O-N 3.18Å; Y463-S467 VanDerWaalsContact O-CB 3.28Å; Y463-S467 WeakPolarHBondContact O-CB 3.14Å; Y463-S467 PolarHBondContact O-N 3.04Å; Y463-S467 PolarHBondContact O-OG 2.97Å
464L83.7Confident82.9Confident16 Ų1651.5 Ų51.58%0.08427%0.27CS..Hα-helixtrans-63.7-44.6176.3-65.9169.8000112.5F423 S460 F461 H462 H466 S467 N468 W695F423-L464 HydrophobicContact CE1-CD1 3.48Å; F423-L464 VanDerWaalsContact CE1-CD1 3.48Å; F423-L464 HydrophobicContact CE1-CD2 3.38Å; F423-L464 HydrophobicContact CE1-CG 3.84Å; F423-L464 HydrophobicContact CE2-CD2 4.45Å; F423-L464 HydrophobicContact CZ-CD1 3.35Å; F423-L464 HydrophobicContact CZ-CD2 3.24Å; F423-L464 HydrophobicContact CZ-CG 3.83Å; S460-L464 WeakPolarHBondContact O-CG 3.36Å; S460-L464 PolarHBondContact O-N 2.97Å; S460-L464 VanDerWaalsContact O-N 3.13Å; F461-L464 WeakPolarHBondContact O-CB 3.36Å; F461-L464 PolarHBondContact O-N 3.17Å; F461-L464 VanDerWaalsContact O-N 3.15Å; H462-L464 VanDerWaalsContact C-N 3.29Å; H462-L464 PolarHBondContact O-N 3.29Å; L464-H466 PolarHBondContact O-N 3.46Å; L464-S467 WeakPolarHBondContact CA-OG 3.27Å; L464-S467 PolarHBondContact O-OG 3.05Å; L464-S467 VanDerWaalsContact O-OG 3.07Å; L464-N468 WeakPolarHBondContact O-CB 3.16Å; L464-N468 PolarHBondContact O-N 3.47Å; L464-N468 VanDerWaalsContact O-N 3.14Å; L464-N468 PolarHBondContact O-ND2 2.87Å; L464-W695 HydrophobicContact CB-CD2 4.01Å; L464-W695 HydrophobicContact CB-CE3 3.69Å; L464-W695 HydrophobicContact CB-CH2 4.15Å; L464-W695 HydrophobicContact CB-CZ2 4.42Å; L464-W695 HydrophobicContact CB-CZ3 3.77Å; L464-W695 HydrophobicContact CD1-CB 4.11Å; L464-W695 HydrophobicContact CD1-CD2 3.95Å; L464-W695 HydrophobicContact CD1-CE3 4.3Å; L464-W695 HydrophobicContact CD1-CG 3.87Å
465C88.7Confident83.6Confident6 Ų657.2 Ų57.24%0.04130%0.295CS..Hα-helixtrans-62.3-44.5176.6-60.30000111.2F461 H462 N468 L469 Y576F461-C465 VanDerWaalsContact CZ-SG 3.54Å; F461-C465 PolarHBondContact O-N 3.25Å; F461-C465 PolarHBondContact O-SG 3.24Å; H462-C465 PolarHBondContact O-N 3.43Å; C465-N468 PolarHBondContact O-N 3.18Å; C465-L469 PolarHBondContact O-N 3.26Å; C465-L469 VanDerWaalsContact O-N 3.1Å; C465-Y576 HydrophobicContact CB-CD2 3.88Å; C465-Y576 HydrophobicContact CB-CE2 3.91Å; C465-Y576 HydrophobicContact CB-CG 4.3Å; C465-Y576 PolarHBondContact O-OH 2.84Å
466H82.9Confident84.5Confident144 Ų14454 Ų5467%0.66728%0.28SS*.Hα-helixtrans-67.2-43.9180-170.779.2000112.7H462 Y463 L464 N468 L469H462-H466 WeakPolarHBondContact O-CB 3.23Å; H462-H466 PolarHBondContact O-N 3.12Å; Y463-H466 PolarHBondContact O-N 3.18Å; L464-H466 PolarHBondContact O-N 3.46Å; H466-N468 PolarHBondContact O-N 3.39Å; H466-L469 VanDerWaalsContact O-CB 3.3Å; H466-L469 WeakPolarHBondContact O-CB 3.35Å; H466-L469 PolarHBondContact O-N 3.37Å
467S84.5Confident85.7Confident62 Ų6254.8 Ų54.843%0.43429%0.286SS..Hα-helixtrans-67.6-22.1179.256.60000113.6Y463 L464Y463-S467 VanDerWaalsContact O-CB 3.28Å; Y463-S467 WeakPolarHBondContact O-CB 3.14Å; Y463-S467 PolarHBondContact O-N 3.04Å; Y463-S467 PolarHBondContact O-OG 2.97Å; L464-S467 WeakPolarHBondContact CA-OG 3.27Å; L464-S467 PolarHBondContact O-OG 3.05Å; L464-S467 VanDerWaalsContact O-OG 3.07Å
468N88.1Confident86.4Confident68 Ų6853.7 Ų53.736%0.36428%0.282SS..THydrogen-bonded Turntrans-101.83.8176.4-71.6-91.1000113.4L464 C465 H466 V470 Y576 W695L464-N468 WeakPolarHBondContact O-CB 3.16Å; L464-N468 PolarHBondContact O-N 3.47Å; L464-N468 VanDerWaalsContact O-N 3.14Å; L464-N468 PolarHBondContact O-ND2 2.87Å; C465-N468 PolarHBondContact O-N 3.18Å; H466-N468 PolarHBondContact O-N 3.39Å; N468-V470 PolarHBondContact O-N 3.49Å; N468-Y576 PolarHBondContact O-OH 3.3Å; N468-W695 HydrophobicContact CB-CH2 3.74Å; N468-W695 VanDerWaalsContact ND2-CH2 3.32Å; N468-W695 WeakPolarHBondContact ND2-CH2 3.27Å
469L88.4Confident86.9Confident67 Ų6755 Ų5535%0.35129%0.291SS..  trans-64.6126.2179.1-174.575.4000110.4C465 H466 R500 Y576C465-L469 PolarHBondContact O-N 3.26Å; C465-L469 VanDerWaalsContact O-N 3.1Å; H466-L469 VanDerWaalsContact O-CB 3.3Å; H466-L469 WeakPolarHBondContact O-CB 3.35Å; H466-L469 PolarHBondContact O-N 3.37Å; L469-R500 WeakPolarHBondContact CD1-O 3.26Å; L469-Y576 WeakPolarHBondContact CA-OH 3.14Å; L469-Y576 HydrophobicContact CD1-CE1 4.08Å; L469-Y576 PolarHBondContact N-OH 3.08Å
470V88Confident87.7Confident46 Ų4658.2 Ų58.228%0.27930%0.297SS..EExtended strand (participates in β ladder)trans-82.1127.2175.1178.80000108.2N468 K472 R500N468-V470 PolarHBondContact O-N 3.49Å; V470-K472 HydrophobicContact CG1-CB 4.44Å; V470-K472 PolarHBondContact O-N 3.22Å; V470-R500 HydrophobicContact CG2-CB 4.01Å; V470-R500 PolarHBondContact N-O 3.07Å
471T82.9Confident88.2Confident144 Ų14461.8 Ų61.888%0.88334%0.335SS*.EExtended strand (participates in β ladder)trans-67.310.3-172.351.10000115.8
472K87.4Confident88.5Confident149 Ų14964.8 Ų64.865%0.64835%0.351SS*.EExtended strand (participates in β ladder)trans-96.8164.7174.6-68.4-177.3178.5-179.60110.6V470 C501 R502V470-K472 HydrophobicContact CG1-CB 4.44Å; V470-K472 PolarHBondContact O-N 3.22Å; K472-C501 WeakPolarHBondContact O-CA 3.39Å; K472-C501 WeakPolarHBondContact O-CB 3.22Å; K472-R502 PolarHBondContact O-N 2.94Å
473N89.7Confident88.9Confident99 Ų9964.5 Ų64.553%0.52935%0.35SS..EExtended strand (participates in β ladder)trans-112.4144.7173.4-54.1-39.8000109.6R502 F504N473-R502 CarbonylContact C-O 3.55Å; N473-R502 WeakPolarHBondContact CA-O 3.48Å; N473-R502 WeakPolarHBondContact OD1-CB 3.46Å; N473-F504 HydrophobicContact CB-CD2 3.85Å; N473-F504 HydrophobicContact CB-CE2 3.65Å
474V92.5Very high89.6Confident20 Ų2061 Ų6112%0.12134%0.336CS..EExtended strand (participates in β ladder)trans-120.2126.8173.7172.30000108.2V476 L494 E498 C501 R502 L503 F504V474-V476 HydrophobicContact CG1-CG2 4.38Å; V474-L494 HydrophobicContact CG1-CD1 3.75Å; V474-L494 HydrophobicContact CG1-CD2 3.71Å; V474-L494 HydrophobicContact CG1-CG 4.39Å; V474-E498 HydrophobicContact CG2-CB 4.37Å; V474-C501 HydrophobicContact CB-CB 4.32Å; V474-C501 HydrophobicContact CG2-CB 3.59Å; V474-R502 PolarHBondContact N-O 3.38Å; V474-L503 HydrophobicContact CG1-CD1 4.45Å; V474-F504 PolarHBondContact O-N 2.78Å
475K93Very high90Very high126 Ų12661.7 Ų61.755%0.54834%0.342SS..EExtended strand (participates in β ladder)trans-96.8128.1176.8-170.3178-177.6178.50109.7V477 F504 S506K475-V477 HydrophobicContact CD-CG2 4.1Å; K475-V477 HydrophobicContact CG-CG2 4Å; K475-F504 CarbonylContact C-O 3.52Å; K475-F504 WeakPolarHBondContact CA-O 3.48Å; K475-S506 VanDerWaalsContact CE-CB 3.48Å
476V93.6Very high90.4Very high1 Ų163 Ų631%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-115.6120.2174.1172.90000108.4V474 V478 Q490 I491 L503 F504 I505 S506V474-V476 HydrophobicContact CG1-CG2 4.38Å; V476-V478 HydrophobicContact CG1-CG1 3.83Å; V476-Q490 HydrophobicContact CG1-CB 4.26Å; V476-I491 HydrophobicContact CG2-CD1 3.96Å; V476-L503 HydrophobicContact CB-CD1 4.36Å; V476-L503 HydrophobicContact CG2-CD1 3.56Å; V476-F504 PolarHBondContact N-O 2.88Å; V476-I505 HydrophobicContact CB-CD1 3.86Å; V476-I505 HydrophobicContact CG1-CD1 4.2Å; V476-I505 WeakPolarHBondContact O-CA 3.48Å; V476-S506 PolarHBondContact O-N 3.19Å
477V94.4Very high91Very high54 Ų5456.1 Ų56.133%0.32732%0.316SS..EExtended strand (participates in β ladder)trans-111.7105-170.8-178.20000109.9K475 Q490 S506 T508K475-V477 HydrophobicContact CD-CG2 4.1Å; K475-V477 HydrophobicContact CG-CG2 4Å; V477-Q490 PolarHBondContact O-NE2 3.42Å; V477-S506 CarbonylContact C-O 3.58Å; V477-S506 VanDerWaalsContact CA-O 3.32Å; V477-S506 WeakPolarHBondContact CA-O 3.41Å; V477-T508 HydrophobicContact CG1-CG2 3.69Å
478V95Very high91.6Very high0 Ų054 Ų540%030%0.3CS..EExtended strand (participates in β ladder)trans-120.3148-171.3-65.70000111.5V476 L483 D486 I505 S506 F507 T508V476-V478 HydrophobicContact CG1-CG1 3.83Å; V478-L483 HydrophobicContact CB-CD1 4.17Å; V478-L483 HydrophobicContact CG2-CD1 3.85Å; V478-D486 HydrophobicContact CB-CB 4.09Å; V478-D486 HydrophobicContact CG1-CB 3.91Å; V478-I505 HydrophobicContact CG2-CG2 4.13Å; V478-S506 PolarHBondContact N-O 3.38Å; V478-F507 HydrophobicContact CG2-CD1 3.85Å; V478-F507 HydrophobicContact CG2-CE1 3.78Å; V478-F507 HydrophobicContact CG2-CZ 4.48Å; V478-F507 CarbonylContact O-C 3.39Å; V478-F507 VanDerWaalsContact O-CA 3.22Å; V478-F507 WeakPolarHBondContact O-CA 3.18Å; V478-T508 PolarHBondContact O-N 3.08Å
479S94Very high92Very high27 Ų2754.9 Ų54.919%0.18930%0.301CS..  trans-91.3145.8170.172.20000110.7G481 N482 L483 D486 T508S479-G481 PolarHBondContact O-N 3.19Å; S479-N482 PolarHBondContact O-N 3.02Å; S479-N482 VanDerWaalsContact OG-CB 3.28Å; S479-N482 WeakPolarHBondContact OG-CB 3.29Å; S479-N482 PolarHBondContact OG-N 3.2Å; S479-L483 VanDerWaalsContact O-CA 3.32Å; S479-L483 WeakPolarHBondContact O-CA 3.41Å; S479-L483 PolarHBondContact O-N 2.88Å; S479-D486 VanDerWaalsContact CB-OD2 3.25Å; S479-D486 WeakPolarHBondContact CB-OD2 3.41Å; S479-D486 PolarHBondContact N-OD2 2.89Å; S479-D486 PolarHBondContact OG-OD2 3.41Å; S479-T508 VanDerWaalsContact CA-OG1 3.3Å; S479-T508 WeakPolarHBondContact CA-OG1 3.23Å; S479-T508 VanDerWaalsContact CB-OG1 3.3Å; S479-T508 WeakPolarHBondContact CB-OG1 3.26Å
480R90Very high92.3Very high93 Ų9354.1 Ų54.135%0.35130%0.296SS..SBendtrans-64.9-30.5177.5-67.2-170.2178.2-82.48112.8F507 E510 E521 K525R480-F507 HydrophobicContact CG-CD1 3.59Å; R480-F507 HydrophobicContact CG-CE1 4.02Å; R480-F507 HydrophobicContact CG-CG 4.28Å; R480-E510 WeakPolarHBondContact CD-OE1 3.5Å; R480-E510 IonicContact CZ-OE1 2.67Å; R480-E510 IonicContact CZ-OE2 3.29Å; R480-E510 VanDerWaalsContact CZ-OE2 3.26Å; R480-E510 IonicContact NE-OE1 3.91Å; R480-E510 PolarHBondContact NE-OE1 3.5Å; R480-E510 IonicContact NE-OE2 3.59Å; R480-E510 PolarHBondContact NE-OE2 2.66Å; R480-E510 IonicContact NH2-OE1 3.21Å; R480-E510 IonicContact NH2-OE2 2.78Å; R480-E510 PolarHBondContact NH2-OE2 2.88Å; R480-E521 IonicContact CZ-OE1 3.06Å; R480-E521 IonicContact CZ-OE2 2.8Å; R480-E521 IonicContact NH1-OE1 2.96Å; R480-E521 PolarHBondContact NH1-OE1 3.2Å; R480-E521 IonicContact NH1-OE2 3.53Å; R480-E521 PolarHBondContact NH1-OE2 2.92Å; R480-E521 IonicContact NH2-OE1 3.46Å; R480-E521 IonicContact NH2-OE2 3.83Å; R480-E521 PolarHBondContact NH2-OE2 3.29Å; R480-E521 VanDerWaalsContact NH2-OE2 3.11Å; R480-K525 VanDerWaalsContact NH1-NZ 3.12Å
481G88.2Confident92.8Very high81 Ų8151.9 Ų51.984%0.83528%0.282SS*.THydrogen-bonded Turntrans-81.7-19.9-178.700000114.8S479S479-G481 PolarHBondContact O-N 3.19Å
482N89.8Confident93.4Very high65 Ų6547 Ų4735%0.34825%0.25SS..THydrogen-bonded Turntrans-128.133.9-178.8-162.338000111.7S479 L484 V485 D486S479-N482 PolarHBondContact O-N 3.02Å; S479-N482 VanDerWaalsContact OG-CB 3.28Å; S479-N482 WeakPolarHBondContact OG-CB 3.29Å; S479-N482 PolarHBondContact OG-N 3.2Å; N482-L484 VanDerWaalsContact C-N 3.32Å; N482-L484 PolarHBondContact O-N 3.13Å; N482-V485 PolarHBondContact O-N 2.95Å; N482-V485 WeakPolarHBondContact OD1-CB 3.46Å; N482-V485 WeakPolarHBondContact OD1-CG2 3.46Å; N482-D486 PolarHBondContact ND2-OD1 2.81Å; N482-D486 WeakPolarHBondContact O-CB 3.26Å; N482-D486 VanDerWaalsContact O-CG 3.32Å; N482-D486 PolarHBondContact O-N 3.15Å
483L93.2Very high93.9Very high10 Ų1048.4 Ų48.45%0.05225%0.251CS..Hα-helixtrans-52.7-46.4-166.8177.668.2000113V478 S479 S487 F507 K525 L526 E529V478-L483 HydrophobicContact CB-CD1 4.17Å; V478-L483 HydrophobicContact CG2-CD1 3.85Å; S479-L483 VanDerWaalsContact O-CA 3.32Å; S479-L483 WeakPolarHBondContact O-CA 3.41Å; S479-L483 PolarHBondContact O-N 2.88Å; L483-S487 WeakPolarHBondContact O-CB 3.29Å; L483-S487 PolarHBondContact O-N 2.84Å; L483-S487 VanDerWaalsContact O-N 3.11Å; L483-S487 PolarHBondContact O-OG 3.34Å; L483-F507 HydrophobicContact CD1-CE1 4.09Å; L483-K525 HydrophobicContact CD2-CB 3.49Å; L483-K525 VanDerWaalsContact CD2-CB 3.49Å; L483-L526 HydrophobicContact CD2-CB 4.25Å; L483-L526 HydrophobicContact CG-CD1 4.41Å; L483-E529 HydrophobicContact CD2-CG 4.09Å
484L93.1Very high94.1Very high2 Ų245 Ų451%0.0123%0.233CC..Hα-helixtrans-66.4-49.9-177.1-179.857.7000112N482 S487 F488 L526 E529 L530 Y535 F566N482-L484 VanDerWaalsContact C-N 3.32Å; N482-L484 PolarHBondContact O-N 3.13Å; L484-S487 PolarHBondContact O-N 3.12Å; L484-F488 VanDerWaalsContact O-CB 3.25Å; L484-F488 WeakPolarHBondContact O-CB 3.07Å; L484-F488 PolarHBondContact O-N 2.88Å; L484-L526 HydrophobicContact CB-CD1 4.32Å; L484-L526 HydrophobicContact CD1-CD1 3.56Å; L484-E529 HydrophobicContact CB-CB 4.35Å; L484-L530 HydrophobicContact CD1-CD2 3.49Å; L484-L530 VanDerWaalsContact CD1-CD2 3.49Å; L484-L530 HydrophobicContact CD1-CG 4.16Å; L484-L530 HydrophobicContact CD2-CD2 4.46Å; L484-Y535 HydrophobicContact CD2-CD1 4.11Å; L484-Y535 HydrophobicContact CD2-CD2 3.56Å; L484-Y535 HydrophobicContact CD2-CE1 3.87Å; L484-Y535 HydrophobicContact CD2-CE2 3.3Å; L484-Y535 HydrophobicContact CD2-CG 3.96Å; L484-Y535 VanDerWaalsContact CD2-CZ 3.47Å; L484-Y535 HydrophobicContact CG-CE2 4.47Å; L484-F566 HydrophobicContact CD1-CE1 3.65Å; L484-F566 HydrophobicContact CD1-CZ 4.38Å
485V93.1Very high94.2Very high32 Ų3250.3 Ų50.319%0.19425%0.254CS..Hα-helixtrans-67.5-44.5-176.11790000110.8N482 S487 F488 E489N482-V485 PolarHBondContact O-N 2.95Å; N482-V485 WeakPolarHBondContact OD1-CB 3.46Å; N482-V485 WeakPolarHBondContact OD1-CG2 3.46Å; V485-S487 VanDerWaalsContact C-N 3.29Å; V485-S487 PolarHBondContact O-N 2.97Å; V485-F488 PolarHBondContact O-N 2.97Å; V485-E489 PolarHBondContact O-N 3.19Å
486D96Very high94.2Very high32 Ų3246.8 Ų46.817%0.17124%0.244CC..Hα-helixtrans-62-39.5178-65.9-11.6000111.4V478 S479 N482 Q490V478-D486 HydrophobicContact CB-CB 4.09Å; V478-D486 HydrophobicContact CG1-CB 3.91Å; S479-D486 VanDerWaalsContact CB-OD2 3.25Å; S479-D486 WeakPolarHBondContact CB-OD2 3.41Å; S479-D486 PolarHBondContact N-OD2 2.89Å; S479-D486 PolarHBondContact OG-OD2 3.41Å; N482-D486 PolarHBondContact ND2-OD1 2.81Å; N482-D486 WeakPolarHBondContact O-CB 3.26Å; N482-D486 VanDerWaalsContact O-CG 3.32Å; N482-D486 PolarHBondContact O-N 3.15Å; D486-Q490 PolarHBondContact O-N 3.02Å; D486-Q490 PolarHBondContact O-NE2 2.86Å
487S97Very high94Very high0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-68.2-44.6176.1-60.40000111.6L483 L484 V485 Q490 I491 W522L483-S487 WeakPolarHBondContact O-CB 3.29Å; L483-S487 PolarHBondContact O-N 2.84Å; L483-S487 VanDerWaalsContact O-N 3.11Å; L483-S487 PolarHBondContact O-OG 3.34Å; L484-S487 PolarHBondContact O-N 3.12Å; V485-S487 VanDerWaalsContact C-N 3.29Å; V485-S487 PolarHBondContact O-N 2.97Å; S487-Q490 PolarHBondContact O-N 3.45Å; S487-I491 WeakPolarHBondContact O-CB 3.27Å; S487-I491 VanDerWaalsContact O-CG1 3.26Å; S487-I491 WeakPolarHBondContact O-CG1 3.49Å; S487-I491 PolarHBondContact O-N 3.18Å; S487-W522 PolarHBondContact OG-NE1 3.31Å
488F96.5Very high94Very high19 Ų1951.9 Ų51.98%0.08326%0.264CS..Hα-helixtrans-56.9-54.7177.5169.2-99.6000111L484 V485 Q490 M492 E562 Y563 F566L484-F488 VanDerWaalsContact O-CB 3.25Å; L484-F488 WeakPolarHBondContact O-CB 3.07Å; L484-F488 PolarHBondContact O-N 2.88Å; V485-F488 PolarHBondContact O-N 2.97Å; F488-Q490 VanDerWaalsContact C-N 3.31Å; F488-Q490 PolarHBondContact O-N 2.94Å; F488-M492 HydrophobicContact CD2-CG 3.91Å; F488-M492 HydrophobicContact CE2-CG 3.77Å; F488-M492 HydrophobicContact CZ-CG 4.3Å; F488-M492 VanDerWaalsContact O-CB 3.24Å; F488-M492 WeakPolarHBondContact O-CB 3.28Å; F488-M492 VanDerWaalsContact O-CG 3.24Å; F488-M492 WeakPolarHBondContact O-CG 3.42Å; F488-M492 PolarHBondContact O-N 3.11Å; F488-E562 HydrophobicContact CE2-CB 4.12Å; F488-E562 HydrophobicContact CZ-CB 3.99Å; F488-Y563 HydrophobicContact CB-CE1 4.41Å; F488-Y563 HydrophobicContact CD1-CE1 4.49Å; F488-Y563 AromaticContact CD2-CD1 3.86Å; F488-Y563 HydrophobicContact CD2-CD1 3.86Å; F488-Y563 AromaticContact CD2-CE1 3.95Å; F488-Y563 HydrophobicContact CD2-CE1 3.95Å; F488-Y563 HydrophobicContact CD2-CG 4.47Å; F488-Y563 HydrophobicContact CE2-CD1 4.13Å; F488-Y563 HydrophobicContact CE2-CE1 4.36Å; F488-Y563 HydrophobicContact CE2-CG 4.3Å; F488-Y563 HydrophobicContact CG-CD1 4.4Å; F488-Y563 HydrophobicContact CG-CE1 4.03Å; F488-F566 HydrophobicContact CB-CD1 4.38Å; F488-F566 HydrophobicContact CB-CD2 4.49Å; F488-F566 HydrophobicContact CB-CE1 4.39Å; F488-F566 HydrophobicContact CB-CE2 4.5Å; F488-F566 HydrophobicContact CB-CG 4.41Å; F488-F566 HydrophobicContact CB-CZ 4.43Å; F488-F566 HydrophobicContact CD2-CB 3.61Å; F488-F566 HydrophobicContact CD2-CD1 4.02Å; F488-F566 HydrophobicContact CD2-CD2 4.32Å; F488-F566 AromaticContact CD2-CG 3.72Å; F488-F566 HydrophobicContact CD2-CG 3.72Å; F488-F566 HydrophobicContact CE2-CB 3.99Å
489E95.5Very high93.9Very high86 Ų8652 Ų5240%0.40227%0.265SS..Hα-helixtrans-58.8-42.5-178.2-75.4-166.5-168.600112.4V485 R493V485-E489 PolarHBondContact O-N 3.19Å; E489-R493 WeakPolarHBondContact O-CD 3.27Å; E489-R493 WeakPolarHBondContact O-CG 3.38Å; E489-R493 PolarHBondContact O-N 3.04Å; E489-R493 IonicContact OE2-CZ 3.29Å; E489-R493 IonicContact OE2-NH1 3.95Å; E489-R493 IonicContact OE2-NH2 3.05Å; E489-R493 PolarHBondContact OE2-NH2 3.36Å
490Q96.3Very high93.9Very high50 Ų5053.8 Ų53.823%0.23427%0.268CS..Hα-helixtrans-75.6-46.8-175.9-75.817765.400112.5V476 V477 D486 S487 F488 M492 R493 L494V476-Q490 HydrophobicContact CG1-CB 4.26Å; V477-Q490 PolarHBondContact O-NE2 3.42Å; D486-Q490 PolarHBondContact O-N 3.02Å; D486-Q490 PolarHBondContact O-NE2 2.86Å; S487-Q490 PolarHBondContact O-N 3.45Å; F488-Q490 VanDerWaalsContact C-N 3.31Å; F488-Q490 PolarHBondContact O-N 2.94Å; Q490-M492 VanDerWaalsContact C-N 3.32Å; Q490-M492 PolarHBondContact O-N 2.76Å; Q490-R493 PolarHBondContact O-N 2.78Å; Q490-L494 WeakPolarHBondContact O-CG 3.36Å; Q490-L494 PolarHBondContact O-N 3.42Å
491I97.3Very high94.1Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-67.3-34.5-179.1-64-61.3000111.4V476 S487 R493 L494 L499 W522 F566 R569 L573V476-I491 HydrophobicContact CG2-CD1 3.96Å; S487-I491 WeakPolarHBondContact O-CB 3.27Å; S487-I491 VanDerWaalsContact O-CG1 3.26Å; S487-I491 WeakPolarHBondContact O-CG1 3.49Å; S487-I491 PolarHBondContact O-N 3.18Å; I491-R493 VanDerWaalsContact C-N 3.34Å; I491-L494 HydrophobicContact CD1-CD1 4.05Å; I491-L494 PolarHBondContact O-N 2.84Å; I491-L499 HydrophobicContact CG2-CD2 4.14Å; I491-W522 HydrophobicContact CD1-CH2 4.36Å; I491-W522 HydrophobicContact CG1-CH2 4.37Å; I491-W522 HydrophobicContact CG1-CZ2 4.38Å; I491-F566 HydrophobicContact CB-CD2 3.92Å; I491-F566 HydrophobicContact CB-CE2 3.76Å; I491-F566 HydrophobicContact CG1-CE2 4.01Å; I491-F566 HydrophobicContact CG2-CD2 3.93Å; I491-F566 HydrophobicContact CG2-CE2 4.07Å; I491-R569 HydrophobicContact CG2-CB 4.06Å; I491-R569 PolarHBondContact O-NH1 3.17Å; I491-L573 HydrophobicContact CD1-CD1 4.04Å; I491-L573 HydrophobicContact CG2-CD1 4.2Å
492M97Very high94.2Very high42 Ų4252.4 Ų52.421%0.20724%0.238CC..Hα-helixtrans-71.7-26.8177.4-69.7-59.6-7500113.2F488 Q490 L494 R565 F566 R569F488-M492 HydrophobicContact CD2-CG 3.91Å; F488-M492 HydrophobicContact CE2-CG 3.77Å; F488-M492 HydrophobicContact CZ-CG 4.3Å; F488-M492 VanDerWaalsContact O-CB 3.24Å; F488-M492 WeakPolarHBondContact O-CB 3.28Å; F488-M492 VanDerWaalsContact O-CG 3.24Å; F488-M492 WeakPolarHBondContact O-CG 3.42Å; F488-M492 PolarHBondContact O-N 3.11Å; Q490-M492 VanDerWaalsContact C-N 3.32Å; Q490-M492 PolarHBondContact O-N 2.76Å; M492-L494 VanDerWaalsContact C-N 3.34Å; M492-R565 HydrophobicContact CE-CB 4.22Å; M492-R565 HydrophobicContact CE-CG 4.16Å; M492-F566 HydrophobicContact CG-CB 3.94Å; M492-F566 HydrophobicContact CG-CD2 4.37Å; M492-F566 HydrophobicContact SD-CB 3.71Å; M492-R569 PolarHBondContact O-NH1 3.33Å
493R96.1Very high94.2Very high178 Ų17850 Ų5067%0.67223%0.225SC*.Hα-helixtrans-72-24.9173.5-75.6170.7-169.8162.814.2113.5E489 Q490 I491E489-R493 WeakPolarHBondContact O-CD 3.27Å; E489-R493 WeakPolarHBondContact O-CG 3.38Å; E489-R493 PolarHBondContact O-N 3.04Å; E489-R493 IonicContact OE2-CZ 3.29Å; E489-R493 IonicContact OE2-NH1 3.95Å; E489-R493 IonicContact OE2-NH2 3.05Å; E489-R493 PolarHBondContact OE2-NH2 3.36Å; Q490-R493 PolarHBondContact O-N 2.78Å; I491-R493 VanDerWaalsContact C-N 3.34Å
494L95.1Very high94.2Very high27 Ų2751.4 Ų51.414%0.14123%0.231CC..SBendtrans-69.7140.7179.2-62.1175.2000111.2V474 Q490 I491 M492 E498 L499 R569V474-L494 HydrophobicContact CG1-CD1 3.75Å; V474-L494 HydrophobicContact CG1-CD2 3.71Å; V474-L494 HydrophobicContact CG1-CG 4.39Å; Q490-L494 WeakPolarHBondContact O-CG 3.36Å; Q490-L494 PolarHBondContact O-N 3.42Å; I491-L494 HydrophobicContact CD1-CD1 4.05Å; I491-L494 PolarHBondContact O-N 2.84Å; M492-L494 VanDerWaalsContact C-N 3.34Å; L494-E498 HydrophobicContact CB-CB 4.36Å; L494-E498 HydrophobicContact CD2-CB 4.38Å; L494-L499 HydrophobicContact CB-CD2 3.82Å; L494-L499 HydrophobicContact CB-CG 4.29Å; L494-L499 HydrophobicContact CD1-CD2 3.84Å; L494-L499 HydrophobicContact CG-CD2 4.48Å; L494-R569 PolarHBondContact O-NH1 2.91Å
495K93.9Very high94.2Very high131 Ų13151.3 Ų51.357%0.5723%0.231SC*.  trans-78.1154.1172.5-65.6176.9-178.8174.30110.4H497 E498 L499K495-H497 VanDerWaalsContact C-N 3.29Å; K495-H497 PolarHBondContact O-N 3.06Å; K495-H497 VanDerWaalsContact O-N 3.1Å; K495-E498 HydrophobicContact CB-CG 4.28Å; K495-E498 PolarHBondContact N-OE2 2.86Å; K495-E498 WeakPolarHBondContact O-CA 3.19Å; K495-E498 WeakPolarHBondContact O-CB 3.35Å; K495-E498 PolarHBondContact O-N 3.25Å; K495-L499 PolarHBondContact O-N 2.72Å
496P92.4Very high94.1Very high52 Ų5250.9 Ų50.934%0.33823%0.229SC..THydrogen-bonded Turntrans-45.2-44.5179.4-35.939.4000115.7E498 L499 D689P496-E498 VanDerWaalsContact C-N 3.33Å; P496-E498 PolarHBondContact O-N 2.78Å; P496-L499 WeakPolarHBondContact O-CB 3.18Å; P496-L499 PolarHBondContact O-N 2.72Å; P496-D689 WeakPolarHBondContact CA-O 3.41Å; P496-D689 VanDerWaalsContact CB-O 3.27Å; P496-D689 WeakPolarHBondContact CB-O 3.36Å; P496-D689 HydrophobicContact CG-CB 4.32Å
497H90.1Very high94Very high98 Ų9849.5 Ų49.545%0.45422%0.221SC..THydrogen-bonded Turntrans-71.8-24179.167.2-85.2000113.9K495 L499K495-H497 VanDerWaalsContact C-N 3.29Å; K495-H497 PolarHBondContact O-N 3.06Å; K495-H497 VanDerWaalsContact O-N 3.1Å; H497-L499 VanDerWaalsContact C-N 3.35Å
498E93.6Very high93.7Very high65 Ų6553 Ų5330%0.30424%0.243SC..G310 helixtrans-77.3-25176.8-61.3176.1135.200111.5V474 L494 K495 P496 R500 C501V474-E498 HydrophobicContact CG2-CB 4.37Å; L494-E498 HydrophobicContact CB-CB 4.36Å; L494-E498 HydrophobicContact CD2-CB 4.38Å; K495-E498 HydrophobicContact CB-CG 4.28Å; K495-E498 PolarHBondContact N-OE2 2.86Å; K495-E498 WeakPolarHBondContact O-CA 3.19Å; K495-E498 WeakPolarHBondContact O-CB 3.35Å; K495-E498 PolarHBondContact O-N 3.25Å; P496-E498 VanDerWaalsContact C-N 3.33Å; P496-E498 PolarHBondContact O-N 2.78Å; E498-R500 PolarHBondContact O-N 3.36Å; E498-C501 WeakPolarHBondContact O-CB 3.45Å; E498-C501 PolarHBondContact O-N 2.77Å; E498-C501 VanDerWaalsContact O-N 3.12Å; E498-C501 PolarHBondContact O-SG 3.45Å
499L94.3Very high93.3Very high3 Ų356.5 Ų56.52%0.01628%0.284CS..G310 helixtrans-66.7-17.8174.2-61.2169.8000112.5I491 L494 K495 P496 H497 R569 L573 D689 V690I491-L499 HydrophobicContact CG2-CD2 4.14Å; L494-L499 HydrophobicContact CB-CD2 3.82Å; L494-L499 HydrophobicContact CB-CG 4.29Å; L494-L499 HydrophobicContact CD1-CD2 3.84Å; L494-L499 HydrophobicContact CG-CD2 4.48Å; K495-L499 PolarHBondContact O-N 2.72Å; P496-L499 WeakPolarHBondContact O-CB 3.18Å; P496-L499 PolarHBondContact O-N 2.72Å; H497-L499 VanDerWaalsContact C-N 3.35Å; L499-R569 HydrophobicContact CD1-CG 4.04Å; L499-L573 HydrophobicContact CB-CD2 4.18Å; L499-L573 HydrophobicContact CD2-CD1 4.23Å; L499-L573 WeakPolarHBondContact O-CD2 3.19Å; L499-D689 HydrophobicContact CD1-CB 4.12Å; L499-V690 HydrophobicContact CB-CG1 4.49Å; L499-V690 HydrophobicContact CB-CG2 4.11Å; L499-V690 HydrophobicContact CD1-CG2 3.87Å
500R93.8Very high92.9Very high63 Ų6356.2 Ų56.224%0.23828%0.282CS..G310 helixtrans-92.43.6174.6-62.6-177.3-165.6127.314113.5L469 V470 E498 Y576 V690L469-R500 WeakPolarHBondContact CD1-O 3.26Å; V470-R500 HydrophobicContact CG2-CB 4.01Å; V470-R500 PolarHBondContact N-O 3.07Å; E498-R500 PolarHBondContact O-N 3.36Å; R500-Y576 HydrophobicContact CB-CE1 4.07Å; R500-Y576 HydrophobicContact CG-CE1 4.27Å; R500-Y576 HydrophobicContact CG-CE2 4.2Å; R500-V690 PolarHBondContact NE-O 3.4Å; R500-V690 PolarHBondContact NH2-O 3.4Å
501C93.1Very high91.8Very high6 Ų663.2 Ų63.24%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-74.8164.7171.2-67.30000110.3K472 V474 E498 L503 H577K472-C501 WeakPolarHBondContact O-CA 3.39Å; K472-C501 WeakPolarHBondContact O-CB 3.22Å; V474-C501 HydrophobicContact CB-CB 4.32Å; V474-C501 HydrophobicContact CG2-CB 3.59Å; E498-C501 WeakPolarHBondContact O-CB 3.45Å; E498-C501 PolarHBondContact O-N 2.77Å; E498-C501 VanDerWaalsContact O-N 3.12Å; E498-C501 PolarHBondContact O-SG 3.45Å; C501-L503 PolarHBondContact O-N 2.9Å; C501-H577 PolarHBondContact O-CE1 2.75Å; C501-H577 PolarHBondContact O-NE2 2.98Å
502R90.9Very high90.4Very high139 Ų13964.6 Ų64.653%0.52533%0.33SS..EExtended strand (participates in β ladder)trans-67124.8170.2-168.5176-173.61721.7110K472 N473 V474 F504K472-R502 PolarHBondContact O-N 2.94Å; N473-R502 CarbonylContact C-O 3.55Å; N473-R502 WeakPolarHBondContact CA-O 3.48Å; N473-R502 WeakPolarHBondContact OD1-CB 3.46Å; V474-R502 PolarHBondContact N-O 3.38Å; R502-F504 HydrophobicContact CG-CE1 4.17Å; R502-F504 HydrophobicContact CG-CZ 4.47Å
503L90.5Very high89.1Confident15 Ų1571 Ų718%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-89.5119.2-177.5-169.667.1000111.5V474 V476 C501 I505 W522 F523V474-L503 HydrophobicContact CG1-CD1 4.45Å; V476-L503 HydrophobicContact CB-CD1 4.36Å; V476-L503 HydrophobicContact CG2-CD1 3.56Å; C501-L503 PolarHBondContact O-N 2.9Å; L503-I505 HydrophobicContact CD1-CD1 4.33Å; L503-I505 HydrophobicContact CD2-CD1 3.79Å; L503-I505 HydrophobicContact CG-CD1 3.75Å; L503-W522 HydrophobicContact CD2-CH2 4.4Å; L503-W522 HydrophobicContact CD2-CZ3 3.99Å; L503-F523 HydrophobicContact CD2-CE2 4.43Å; L503-F523 HydrophobicContact CD2-CZ 4.39Å
504F92Very high88.2Confident40 Ų4067 Ų6718%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-107.3113173.2-70.2-35.5000110.7N473 V474 K475 V476 R502 Y515N473-F504 HydrophobicContact CB-CD2 3.85Å; N473-F504 HydrophobicContact CB-CE2 3.65Å; V474-F504 PolarHBondContact O-N 2.78Å; K475-F504 CarbonylContact C-O 3.52Å; K475-F504 WeakPolarHBondContact CA-O 3.48Å; V476-F504 PolarHBondContact N-O 2.88Å; R502-F504 HydrophobicContact CG-CE1 4.17Å; R502-F504 HydrophobicContact CG-CZ 4.47Å; F504-Y515 HydrophobicContact CB-CD1 3.78Å; F504-Y515 HydrophobicContact CB-CE1 4.02Å; F504-Y515 AromaticContact CD1-CD1 3.65Å; F504-Y515 HydrophobicContact CD1-CD1 3.65Å; F504-Y515 HydrophobicContact CD1-CD2 4.37Å; F504-Y515 HydrophobicContact CD1-CE1 4.33Å; F504-Y515 AromaticContact CD1-CG 3.67Å; F504-Y515 HydrophobicContact CD1-CG 3.67Å; F504-Y515 HydrophobicContact CE1-CD1 4.38Å; F504-Y515 HydrophobicContact CE1-CD2 4.31Å; F504-Y515 HydrophobicContact CE1-CG 4Å; F504-Y515 AromaticContact CG-CD1 3.8Å; F504-Y515 HydrophobicContact CG-CD1 3.8Å; F504-Y515 HydrophobicContact CG-CE1 4.09Å; F504-Y515 HydrophobicContact CG-CG 4.25Å
505I93Very high87.5Confident0 Ų071 Ų710%037%0.37CS..EExtended strand (participates in β ladder)trans-90136.1176.7-51.4-56.4000110.1V476 V478 L503 F507 W522V476-I505 HydrophobicContact CB-CD1 3.86Å; V476-I505 HydrophobicContact CG1-CD1 4.2Å; V476-I505 WeakPolarHBondContact O-CA 3.48Å; V478-I505 HydrophobicContact CG2-CG2 4.13Å; L503-I505 HydrophobicContact CD1-CD1 4.33Å; L503-I505 HydrophobicContact CD2-CD1 3.79Å; L503-I505 HydrophobicContact CG-CD1 3.75Å; I505-F507 HydrophobicContact CG2-CE2 4.46Å; I505-W522 HydrophobicContact CB-CB 4.35Å; I505-W522 HydrophobicContact CD1-CD2 3.8Å; I505-W522 HydrophobicContact CD1-CE3 3.98Å; I505-W522 HydrophobicContact CD1-CG 4.11Å; I505-W522 HydrophobicContact CD1-CZ3 4.43Å; I505-W522 HydrophobicContact CG1-CB 3.99Å; I505-W522 HydrophobicContact CG1-CD2 4.07Å; I505-W522 HydrophobicContact CG1-CE3 4.23Å; I505-W522 HydrophobicContact CG1-CG 3.97Å; I505-W522 HydrophobicContact CG2-CB 3.84Å; I505-W522 HydrophobicContact CG2-CG 3.85Å
506S92.2Very high86.8Confident23 Ų2365.3 Ų65.316%0.16135%0.348CS..EExtended strand (participates in β ladder)trans-134.1127.7176.4179.20000109.4K475 V476 V477 V478K475-S506 VanDerWaalsContact CE-CB 3.48Å; V476-S506 PolarHBondContact O-N 3.19Å; V477-S506 CarbonylContact C-O 3.58Å; V477-S506 VanDerWaalsContact CA-O 3.32Å; V477-S506 WeakPolarHBondContact CA-O 3.41Å; V478-S506 PolarHBondContact N-O 3.38Å
507F92.6Very high86.5Confident2 Ų263.6 Ų63.61%0.00934%0.34CS..EExtended strand (participates in β ladder)trans-86.6131.1173.6-71.2-80.1000110.4V478 R480 L483 I505 G509 E510 L518 W522V478-F507 HydrophobicContact CG2-CD1 3.85Å; V478-F507 HydrophobicContact CG2-CE1 3.78Å; V478-F507 HydrophobicContact CG2-CZ 4.48Å; V478-F507 CarbonylContact O-C 3.39Å; V478-F507 VanDerWaalsContact O-CA 3.22Å; V478-F507 WeakPolarHBondContact O-CA 3.18Å; R480-F507 HydrophobicContact CG-CD1 3.59Å; R480-F507 HydrophobicContact CG-CE1 4.02Å; R480-F507 HydrophobicContact CG-CG 4.28Å; L483-F507 HydrophobicContact CD1-CE1 4.09Å; I505-F507 HydrophobicContact CG2-CE2 4.46Å; F507-G509 PolarHBondContact O-N 3.11Å; F507-E510 HydrophobicContact CB-CB 4.13Å; F507-E510 HydrophobicContact CB-CG 4.39Å; F507-E510 PolarHBondContact O-N 3.12Å; F507-E510 VanDerWaalsContact O-N 3.13Å; F507-L518 HydrophobicContact CD2-CD2 3.96Å; F507-L518 HydrophobicContact CE2-CD2 4.13Å; F507-W522 HydrophobicContact CZ-CB 4.47Å
508T91.7Very high86.4Confident75 Ų7560.2 Ų60.246%0.4633%0.325SS..THydrogen-bonded Turntrans-60123.2-179.555.20000110.8V477 V478 S479V477-T508 HydrophobicContact CG1-CG2 3.69Å; V478-T508 PolarHBondContact O-N 3.08Å; S479-T508 VanDerWaalsContact CA-OG1 3.3Å; S479-T508 WeakPolarHBondContact CA-OG1 3.23Å; S479-T508 VanDerWaalsContact CB-OG1 3.3Å; S479-T508 WeakPolarHBondContact CB-OG1 3.26Å
509G87.5Confident86.3Confident91 Ų9157.3 Ų57.394%0.93831%0.312SS*.THydrogen-bonded Turntrans873.8179.800000115F507F507-G509 PolarHBondContact O-N 3.11Å
510E86.8Confident86.2Confident80 Ų8059.8 Ų59.837%0.37432%0.321SS..  trans-121.2127.3179.7-66.5171.4-145.200110.7R480 F507 G512R480-E510 WeakPolarHBondContact CD-OE1 3.5Å; R480-E510 IonicContact CZ-OE1 2.67Å; R480-E510 IonicContact CZ-OE2 3.29Å; R480-E510 VanDerWaalsContact CZ-OE2 3.26Å; R480-E510 IonicContact NE-OE1 3.91Å; R480-E510 PolarHBondContact NE-OE1 3.5Å; R480-E510 IonicContact NE-OE2 3.59Å; R480-E510 PolarHBondContact NE-OE2 2.66Å; R480-E510 IonicContact NH2-OE1 3.21Å; R480-E510 IonicContact NH2-OE2 2.78Å; R480-E510 PolarHBondContact NH2-OE2 2.88Å; F507-E510 HydrophobicContact CB-CB 4.13Å; F507-E510 HydrophobicContact CB-CG 4.39Å; F507-E510 PolarHBondContact O-N 3.12Å; F507-E510 VanDerWaalsContact O-N 3.13Å; E510-G512 PolarHBondContact O-N 3.18Å
511E74.5Confident86Confident198 Ų19858 Ų5893%0.92532%0.316SS*.  trans-80.4110.3171-73.2-168.1165.200110
512G67.6Low86.1Confident29 Ų2957.8 Ų57.830%0.29931%0.314SS..  trans-92.7112.2175.700000112E510E510-G512 PolarHBondContact O-N 3.18Å
513L68.6Low86.2Confident176 Ų17651.1 Ų51.192%0.92129%0.289SS*.SBendtrans-78.8-32.8170-67.6167.8000111.8
514D78.7Confident86.2Confident95 Ų9550.5 Ų50.551%0.50829%0.285SS..  trans-110.496.4-176.6177.915.6000111.7G516 G517 L518D514-G516 PolarHBondContact O-N 3.13Å; D514-G516 WeakPolarHBondContact OD1-CA 3.34Å; D514-G516 PolarHBondContact OD1-N 3.03Å; D514-G517 PolarHBondContact O-N 3.47Å; D514-G517 PolarHBondContact OD1-N 3.2Å; D514-G517 VanDerWaalsContact OD1-N 3.13Å; D514-G517 WeakPolarHBondContact OD2-CA 3.45Å; D514-G517 PolarHBondContact OD2-N 2.88Å; D514-L518 WeakPolarHBondContact O-CG 3.45Å; D514-L518 PolarHBondContact O-N 2.92Å
515Y79.3Confident86.2Confident109 Ų10951.1 Ų51.143%0.42729%0.288SS..Hα-helixtrans-61.7-28.2174.7-67.8-77.3000113F504 S519F504-Y515 HydrophobicContact CB-CD1 3.78Å; F504-Y515 HydrophobicContact CB-CE1 4.02Å; F504-Y515 AromaticContact CD1-CD1 3.65Å; F504-Y515 HydrophobicContact CD1-CD1 3.65Å; F504-Y515 HydrophobicContact CD1-CD2 4.37Å; F504-Y515 HydrophobicContact CD1-CE1 4.33Å; F504-Y515 AromaticContact CD1-CG 3.67Å; F504-Y515 HydrophobicContact CD1-CG 3.67Å; F504-Y515 HydrophobicContact CE1-CD1 4.38Å; F504-Y515 HydrophobicContact CE1-CD2 4.31Å; F504-Y515 HydrophobicContact CE1-CG 4Å; F504-Y515 AromaticContact CG-CD1 3.8Å; F504-Y515 HydrophobicContact CG-CD1 3.8Å; F504-Y515 HydrophobicContact CG-CE1 4.09Å; F504-Y515 HydrophobicContact CG-CG 4.25Å; Y515-S519 VanDerWaalsContact O-CB 3.23Å; Y515-S519 WeakPolarHBondContact O-CB 3.42Å; Y515-S519 PolarHBondContact O-N 2.98Å
516G80.3Confident86.2Confident12 Ų1251.1 Ų51.112%0.12429%0.288CS..Hα-helixtrans-67.5-56.1178.500000110.6D514 L518 S519 R520D514-G516 PolarHBondContact O-N 3.13Å; D514-G516 WeakPolarHBondContact OD1-CA 3.34Å; D514-G516 PolarHBondContact OD1-N 3.03Å; G516-L518 PolarHBondContact O-N 3.42Å; G516-S519 WeakPolarHBondContact O-CB 3.16Å; G516-S519 PolarHBondContact O-N 3.31Å; G516-R520 VanDerWaalsContact O-CG 3.27Å; G516-R520 WeakPolarHBondContact O-CG 3.37Å; G516-R520 PolarHBondContact O-N 3.35Å
517G84.8Confident86.1Confident16 Ų1650.2 Ų50.217%0.16528%0.282CS..Hα-helixtrans-54.1-46.9175.800000113.3D514 S519 R520 E521D514-G517 PolarHBondContact O-N 3.47Å; D514-G517 PolarHBondContact OD1-N 3.2Å; D514-G517 VanDerWaalsContact OD1-N 3.13Å; D514-G517 WeakPolarHBondContact OD2-CA 3.45Å; D514-G517 PolarHBondContact OD2-N 2.88Å; G517-S519 PolarHBondContact O-N 3.21Å; G517-R520 PolarHBondContact O-N 2.91Å; G517-E521 WeakPolarHBondContact O-CB 3.48Å; G517-E521 PolarHBondContact O-N 3.11Å
518L89.9Confident85.9Confident28 Ų2850.6 Ų50.615%0.14728%0.284CS..Hα-helixtrans-64.5-38.5178-66.7-172.1000113F507 D514 G516 E521 W522F507-L518 HydrophobicContact CD2-CD2 3.96Å; F507-L518 HydrophobicContact CE2-CD2 4.13Å; D514-L518 WeakPolarHBondContact O-CG 3.45Å; D514-L518 PolarHBondContact O-N 2.92Å; G516-L518 PolarHBondContact O-N 3.42Å; L518-E521 PolarHBondContact O-N 3.21Å; L518-W522 WeakPolarHBondContact O-CB 3.21Å; L518-W522 PolarHBondContact O-N 2.79Å
519S91.3Very high85.7Confident3 Ų349.9 Ų49.92%0.02128%0.276CS..Hα-helixtrans-62-48.1174.1175.50000111Y515 G516 G517 E521 W522 F523 R579Y515-S519 VanDerWaalsContact O-CB 3.23Å; Y515-S519 WeakPolarHBondContact O-CB 3.42Å; Y515-S519 PolarHBondContact O-N 2.98Å; G516-S519 WeakPolarHBondContact O-CB 3.16Å; G516-S519 PolarHBondContact O-N 3.31Å; G517-S519 PolarHBondContact O-N 3.21Å; S519-E521 VanDerWaalsContact C-N 3.33Å; S519-E521 PolarHBondContact O-N 3.18Å; S519-W522 WeakPolarHBondContact O-CB 3.21Å; S519-W522 PolarHBondContact O-N 3.44Å; S519-F523 VanDerWaalsContact O-CD2 3.25Å; S519-F523 WeakPolarHBondContact O-CD2 3.35Å; S519-F523 PolarHBondContact O-N 3.36Å; S519-F523 VanDerWaalsContact O-N 3.12Å; S519-R579 PolarHBondContact OG-NE 2.86Å
520R90.5Very high85.8Confident56 Ų5645.9 Ų45.921%0.21123%0.233CC..Hα-helixtrans-60.5-43.5178.2-61.3172.7-176.9163.24.7111.3M337 Y341 E350 G516 G517 W522 F523 F524M337-R520 HydrophobicContact CE-CB 4.09Å; M337-R520 HydrophobicContact CG-CB 4.22Å; M337-R520 VanDerWaalsContact SD-C 3.5Å; M337-R520 HydrophobicContact SD-CB 3.41Å; M337-R520 WeakPolarHBondContact SD-CB 3.3Å; Y341-R520 HydrophobicContact CD2-CG 4.34Å; Y341-R520 HydrophobicContact CE1-CG 4.14Å; Y341-R520 HydrophobicContact CE2-CB 3.82Å; Y341-R520 HydrophobicContact CE2-CG 3.61Å; Y341-R520 VanDerWaalsContact CZ-CG 3.49Å; Y341-R520 WeakPolarHBondContact OH-CG 3.35Å; E350-R520 IonicContact OE2-CZ 2.9Å; E350-R520 IonicContact OE2-NE 3.47Å; E350-R520 IonicContact OE2-NH2 3.67Å; E350-R520 PolarHBondContact OE2-NH2 3.18Å; G516-R520 VanDerWaalsContact O-CG 3.27Å; G516-R520 WeakPolarHBondContact O-CG 3.37Å; G516-R520 PolarHBondContact O-N 3.35Å; G517-R520 PolarHBondContact O-N 2.91Å; R520-W522 PolarHBondContact O-N 2.98Å; R520-F523 PolarHBondContact O-N 2.86Å; R520-F524 PolarHBondContact O-N 3.35Å
521E90.6Very high85.7Confident26 Ų2642.7 Ų42.712%0.12122%0.218CC..Hα-helixtrans-60.8-44.4177-161.2-161.3161.400111.6M333 R480 G517 L518 S519 F524 K525M333-E521 HydrophobicContact CE-CB 4.34Å; M333-E521 HydrophobicContact CE-CG 3.62Å; M333-E521 WeakPolarHBondContact CE-O 3.35Å; R480-E521 IonicContact CZ-OE1 3.06Å; R480-E521 IonicContact CZ-OE2 2.8Å; R480-E521 IonicContact NH1-OE1 2.96Å; R480-E521 PolarHBondContact NH1-OE1 3.2Å; R480-E521 IonicContact NH1-OE2 3.53Å; R480-E521 PolarHBondContact NH1-OE2 2.92Å; R480-E521 IonicContact NH2-OE1 3.46Å; R480-E521 IonicContact NH2-OE2 3.83Å; R480-E521 PolarHBondContact NH2-OE2 3.29Å; R480-E521 VanDerWaalsContact NH2-OE2 3.11Å; G517-E521 WeakPolarHBondContact O-CB 3.48Å; G517-E521 PolarHBondContact O-N 3.11Å; L518-E521 PolarHBondContact O-N 3.21Å; S519-E521 VanDerWaalsContact C-N 3.33Å; S519-E521 PolarHBondContact O-N 3.18Å; E521-F524 PolarHBondContact O-N 2.87Å; E521-K525 HydrophobicContact CG-CD 4.4Å; E521-K525 PolarHBondContact O-N 3.08Å; E521-K525 WeakPolarHBondContact OE1-CE 3.32Å; E521-K525 IonicContact OE1-NZ 3.04Å; E521-K525 PolarHBondContact OE1-NZ 2.83Å
522W94.2Very high86.3Confident0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-60.4-48.4179.5178.380.3000112.5S487 I491 L503 I505 F507 L518 S519 R520 F524 K525 L526 F570S487-W522 PolarHBondContact OG-NE1 3.31Å; I491-W522 HydrophobicContact CD1-CH2 4.36Å; I491-W522 HydrophobicContact CG1-CH2 4.37Å; I491-W522 HydrophobicContact CG1-CZ2 4.38Å; L503-W522 HydrophobicContact CD2-CH2 4.4Å; L503-W522 HydrophobicContact CD2-CZ3 3.99Å; I505-W522 HydrophobicContact CB-CB 4.35Å; I505-W522 HydrophobicContact CD1-CD2 3.8Å; I505-W522 HydrophobicContact CD1-CE3 3.98Å; I505-W522 HydrophobicContact CD1-CG 4.11Å; I505-W522 HydrophobicContact CD1-CZ3 4.43Å; I505-W522 HydrophobicContact CG1-CB 3.99Å; I505-W522 HydrophobicContact CG1-CD2 4.07Å; I505-W522 HydrophobicContact CG1-CE3 4.23Å; I505-W522 HydrophobicContact CG1-CG 3.97Å; I505-W522 HydrophobicContact CG2-CB 3.84Å; I505-W522 HydrophobicContact CG2-CG 3.85Å; F507-W522 HydrophobicContact CZ-CB 4.47Å; L518-W522 WeakPolarHBondContact O-CB 3.21Å; L518-W522 PolarHBondContact O-N 2.79Å; S519-W522 WeakPolarHBondContact O-CB 3.21Å; S519-W522 PolarHBondContact O-N 3.44Å; R520-W522 PolarHBondContact O-N 2.98Å; W522-F524 VanDerWaalsContact C-N 3.35Å; W522-F524 PolarHBondContact O-N 2.67Å; W522-K525 PolarHBondContact O-N 3.37Å; W522-L526 HydrophobicContact CD2-CD2 4.34Å; W522-L526 HydrophobicContact CH2-CD2 3.84Å; W522-L526 HydrophobicContact CZ2-CD2 3.35Å; W522-L526 HydrophobicContact CZ3-CD2 4.49Å; W522-L526 WeakPolarHBondContact O-CB 3.29Å; W522-L526 PolarHBondContact O-N 3.42Å; W522-F570 HydrophobicContact CE3-CE2 4.42Å; W522-F570 AromaticContact CH2-CD2 3.87Å; W522-F570 HydrophobicContact CH2-CD2 3.87Å; W522-F570 HydrophobicContact CH2-CE2 4.2Å; W522-F570 AromaticContact CZ3-CD2 4Å; W522-F570 HydrophobicContact CZ3-CD2 4Å; W522-F570 AromaticContact CZ3-CE2 3.97Å; W522-F570 HydrophobicContact CZ3-CE2 3.97Å
523F94Very high87.1Confident0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-59.5-44.1177.2-82.8-78.2000112.1L503 S519 R520 S527 F570 L573 A574 R579L503-F523 HydrophobicContact CD2-CE2 4.43Å; L503-F523 HydrophobicContact CD2-CZ 4.39Å; S519-F523 VanDerWaalsContact O-CD2 3.25Å; S519-F523 WeakPolarHBondContact O-CD2 3.35Å; S519-F523 PolarHBondContact O-N 3.36Å; S519-F523 VanDerWaalsContact O-N 3.12Å; R520-F523 PolarHBondContact O-N 2.86Å; F523-S527 VanDerWaalsContact O-CB 3.25Å; F523-S527 WeakPolarHBondContact O-CB 3.49Å; F523-S527 PolarHBondContact O-N 3.19Å; F523-S527 PolarHBondContact O-OG 2.87Å; F523-F570 HydrophobicContact CD1-CD2 4.03Å; F523-F570 AromaticContact CD1-CE2 3.32Å; F523-F570 HydrophobicContact CD1-CE2 3.32Å; F523-F570 AromaticContact CD1-CZ 3.83Å; F523-F570 HydrophobicContact CD1-CZ 3.83Å; F523-F570 HydrophobicContact CE1-CD2 4.02Å; F523-F570 AromaticContact CE1-CE2 3.79Å; F523-F570 HydrophobicContact CE1-CE2 3.79Å; F523-F570 HydrophobicContact CG-CE2 4.2Å; F523-F570 WeakPolarHBondContact O-CZ 3.29Å; F523-L573 HydrophobicContact CE1-CB 4.14Å; F523-L573 HydrophobicContact CZ-CB 4.03Å; F523-A574 HydrophobicContact CD1-CB 3.63Å; F523-A574 HydrophobicContact CE1-CB 3.53Å; F523-A574 VanDerWaalsContact CE1-N 3.35Å; F523-A574 HydrophobicContact CZ-CB 4.45Å; F523-R579 HydrophobicContact CB-CB 4.3Å; F523-R579 HydrophobicContact CD1-CB 4.23Å; F523-R579 HydrophobicContact CD2-CB 3.46Å; F523-R579 VanDerWaalsContact CD2-CB 3.46Å; F523-R579 HydrophobicContact CD2-CG 3.51Å; F523-R579 HydrophobicContact CE1-CB 4.46Å; F523-R579 HydrophobicContact CE2-CB 3.76Å; F523-R579 HydrophobicContact CE2-CG 3.47Å; F523-R579 VanDerWaalsContact CE2-CG 3.47Å; F523-R579 HydrophobicContact CG-CB 3.74Å; F523-R579 HydrophobicContact CG-CG 4.3Å; F523-R579 HydrophobicContact CZ-CB 4.22Å; F523-R579 HydrophobicContact CZ-CG 4.19Å
524F90.8Very high87.8Confident1 Ų125.9 Ų25.90%0.00413%0.129CC..Hα-helixtrans-64.3-50.7177.5-95.7-104.5000112.8M333 M337 Y341 R520 E521 W522 S527 T528 F580 D582M333-F524 HydrophobicContact CE-CB 3.18Å; M333-F524 HydrophobicContact CE-CG 4.1Å; M333-F524 HydrophobicContact CG-CB 4.43Å; M333-F524 HydrophobicContact CG-CD1 4.26Å; M333-F524 HydrophobicContact SD-CB 4.1Å; M337-F524 HydrophobicContact CB-CD2 4.35Å; M337-F524 HydrophobicContact CB-CE1 4.3Å; M337-F524 HydrophobicContact CB-CE2 4.02Å; M337-F524 HydrophobicContact CB-CZ 4Å; M337-F524 HydrophobicContact CG-CD2 3.89Å; M337-F524 HydrophobicContact CG-CE2 3.66Å; M337-F524 HydrophobicContact CG-CZ 4.16Å; M337-F524 HydrophobicContact SD-CD2 4.17Å; Y341-F524 HydrophobicContact CE2-CE2 4.28Å; R520-F524 PolarHBondContact O-N 3.35Å; E521-F524 PolarHBondContact O-N 2.87Å; W522-F524 VanDerWaalsContact C-N 3.35Å; W522-F524 PolarHBondContact O-N 2.67Å; F524-S527 PolarHBondContact O-N 2.89Å; F524-S527 PolarHBondContact O-OG 2.8Å; F524-T528 PolarHBondContact O-N 2.92Å; F524-T528 PolarHBondContact O-OG1 3.42Å; F524-F580 VanDerWaalsContact CD2-O 3.3Å; F524-F580 WeakPolarHBondContact CD2-O 3.4Å; F524-F580 HydrophobicContact CE2-CB 3.87Å; F524-F580 WeakPolarHBondContact CE2-O 3.37Å; F524-F580 HydrophobicContact CZ-CB 4.32Å; F524-D582 HydrophobicContact CD1-CB 3.68Å; F524-D582 HydrophobicContact CE1-CB 3.94Å
525K90.8Very high88.1Confident53 Ų5323.7 Ų23.723%0.2311%0.114CC..Hα-helixtrans-65.3-46.4-178.2-77-169.8169.3169.20111.8M333 R480 L483 E521 W522 S527 T528 E529M333-K525 HydrophobicContact CE-CG 3.68Å; M333-K525 HydrophobicContact SD-CG 3.65Å; R480-K525 VanDerWaalsContact NH1-NZ 3.12Å; L483-K525 HydrophobicContact CD2-CB 3.49Å; L483-K525 VanDerWaalsContact CD2-CB 3.49Å; E521-K525 HydrophobicContact CG-CD 4.4Å; E521-K525 PolarHBondContact O-N 3.08Å; E521-K525 WeakPolarHBondContact OE1-CE 3.32Å; E521-K525 IonicContact OE1-NZ 3.04Å; E521-K525 PolarHBondContact OE1-NZ 2.83Å; W522-K525 PolarHBondContact O-N 3.37Å; K525-S527 VanDerWaalsContact C-N 3.28Å; K525-S527 PolarHBondContact O-N 3.43Å; K525-T528 WeakPolarHBondContact O-CB 3.25Å; K525-T528 PolarHBondContact O-N 3.43Å; K525-E529 PolarHBondContact O-N 2.65Å
526L93Very high88.4Confident0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-62.6-38-180-176.758.2000111.4L483 L484 W522 T528 E529 L530 F566 F570L483-L526 HydrophobicContact CD2-CB 4.25Å; L483-L526 HydrophobicContact CG-CD1 4.41Å; L484-L526 HydrophobicContact CB-CD1 4.32Å; L484-L526 HydrophobicContact CD1-CD1 3.56Å; W522-L526 HydrophobicContact CD2-CD2 4.34Å; W522-L526 HydrophobicContact CH2-CD2 3.84Å; W522-L526 HydrophobicContact CZ2-CD2 3.35Å; W522-L526 HydrophobicContact CZ3-CD2 4.49Å; W522-L526 WeakPolarHBondContact O-CB 3.29Å; W522-L526 PolarHBondContact O-N 3.42Å; L526-T528 PolarHBondContact O-N 3.06Å; L526-E529 PolarHBondContact O-N 2.71Å; L526-L530 WeakPolarHBondContact O-CG 3.38Å; L526-L530 PolarHBondContact O-N 2.75Å; L526-F566 HydrophobicContact CD1-CZ 4.42Å; L526-F566 HydrophobicContact CD2-CZ 3.93Å; L526-F570 HydrophobicContact CB-CE2 4.04Å; L526-F570 HydrophobicContact CB-CZ 4.14Å; L526-F570 HydrophobicContact CD2-CD2 3.53Å; L526-F570 HydrophobicContact CD2-CE2 3.49Å; L526-F570 VanDerWaalsContact CD2-CE2 3.49Å; L526-F570 HydrophobicContact CD2-CG 4.29Å; L526-F570 HydrophobicContact CD2-CZ 4.24Å; L526-F570 HydrophobicContact CG-CD2 4.25Å; L526-F570 HydrophobicContact CG-CE2 3.9Å; L526-F570 HydrophobicContact CG-CZ 4.15Å
527S90.9Very high88.8Confident5 Ų518.1 Ų18.14%0.0359%0.089CC..Hα-helixtrans-62.8-21.5174.376.60000114.2F523 F524 K525 D582 N583F523-S527 VanDerWaalsContact O-CB 3.25Å; F523-S527 WeakPolarHBondContact O-CB 3.49Å; F523-S527 PolarHBondContact O-N 3.19Å; F523-S527 PolarHBondContact O-OG 2.87Å; F524-S527 PolarHBondContact O-N 2.89Å; F524-S527 PolarHBondContact O-OG 2.8Å; K525-S527 VanDerWaalsContact C-N 3.28Å; K525-S527 PolarHBondContact O-N 3.43Å; S527-D582 PolarHBondContact OG-N 3.15Å; S527-N583 PolarHBondContact O-ND2 2.98Å
528T87.5Confident89Confident10 Ų1018.2 Ų18.26%0.0619%0.085CC..Hα-helixtrans-87.8-42.9173.6-57.70000111Y322 T326 F524 K525 L526 L530 L531 N583Y322-T528 HydrophobicContact CE2-CG2 4.41Å; Y322-T528 WeakPolarHBondContact CE2-O 3.12Å; Y322-T528 PolarHBondContact OH-O 3.11Å; T326-T528 HydrophobicContact CG2-CG2 3.95Å; F524-T528 PolarHBondContact O-N 2.92Å; F524-T528 PolarHBondContact O-OG1 3.42Å; K525-T528 WeakPolarHBondContact O-CB 3.25Å; K525-T528 PolarHBondContact O-N 3.43Å; L526-T528 PolarHBondContact O-N 3.06Å; T528-L530 PolarHBondContact O-N 3.03Å; T528-L531 WeakPolarHBondContact O-CB 3.29Å; T528-L531 PolarHBondContact O-N 3.4Å; T528-N583 WeakPolarHBondContact CA-ND2 3.22Å; T528-N583 PolarHBondContact OG1-ND2 3.27Å
529E89.3Confident88.5Confident59 Ų5920.3 Ų20.328%0.2769%0.094SC..Hα-helixtrans-60.5-32176.8-73.4-59.4143.300113.5Y322 L483 L484 K525 L526 L531 N532Y322-E529 WeakPolarHBondContact OH-CA 3.17Å; L483-E529 HydrophobicContact CD2-CG 4.09Å; L484-E529 HydrophobicContact CB-CB 4.35Å; K525-E529 PolarHBondContact O-N 2.65Å; L526-E529 PolarHBondContact O-N 2.71Å; E529-L531 PolarHBondContact O-N 2.93Å; E529-L531 VanDerWaalsContact O-N 3.09Å; E529-N532 WeakPolarHBondContact O-CB 3.37Å; E529-N532 PolarHBondContact O-N 3.22Å
530L89.1Confident87.8Confident8 Ų822.2 Ų22.24%0.04210%0.101CC..THydrogen-bonded Turntrans-58.8-19.8173.4-78.4174.3000113.6L484 L526 T528 F538 F566 V567 F570L484-L530 HydrophobicContact CD1-CD2 3.49Å; L484-L530 VanDerWaalsContact CD1-CD2 3.49Å; L484-L530 HydrophobicContact CD1-CG 4.16Å; L484-L530 HydrophobicContact CD2-CD2 4.46Å; L526-L530 WeakPolarHBondContact O-CG 3.38Å; L526-L530 PolarHBondContact O-N 2.75Å; T528-L530 PolarHBondContact O-N 3.03Å; L530-F538 WeakPolarHBondContact O-CD2 3.37Å; L530-F566 HydrophobicContact CD2-CD1 4.47Å; L530-F566 HydrophobicContact CD2-CE1 4.09Å; L530-V567 HydrophobicContact CD1-CG1 4.32Å; L530-V567 HydrophobicContact CD1-CG2 4.01Å; L530-V567 HydrophobicContact CD2-CG2 3.5Å; L530-V567 VanDerWaalsContact CD2-CG2 3.5Å; L530-V567 HydrophobicContact CG-CG2 4.37Å; L530-F570 HydrophobicContact CD1-CD1 3.63Å; L530-F570 HydrophobicContact CD1-CE1 3.76Å; L530-F570 HydrophobicContact CD1-CG 4.49Å
531L84.8Confident86.7Confident12 Ų1219.5 Ų19.56%0.0639%0.091CC..THydrogen-bonded Turntrans-91.4-0.7-180-46.3-171000113.2Y322 T528 E529 P533 L548 N583Y322-L531 HydrophobicContact CD2-CB 4.36Å; Y322-L531 HydrophobicContact CE2-CB 4.02Å; T528-L531 WeakPolarHBondContact O-CB 3.29Å; T528-L531 PolarHBondContact O-N 3.4Å; E529-L531 PolarHBondContact O-N 2.93Å; E529-L531 VanDerWaalsContact O-N 3.09Å; L531-P533 WeakPolarHBondContact O-CD 3.05Å; L531-P533 VanDerWaalsContact O-N 3.08Å; L531-L548 HydrophobicContact CD1-CD1 3.96Å; L531-L548 HydrophobicContact CD1-CD2 4Å; L531-L548 HydrophobicContact CD1-CG 4.5Å; L531-L548 HydrophobicContact CD2-CD1 3.19Å; L531-L548 HydrophobicContact CD2-CD2 3.64Å; L531-L548 HydrophobicContact CD2-CG 4.02Å; L531-L548 HydrophobicContact CG-CD1 4.19Å; L531-L548 HydrophobicContact CG-CD2 4.33Å; L531-N583 HydrophobicContact CD1-CB 3.86Å; L531-N583 WeakPolarHBondContact CD1-ND2 3.36Å
532N85.9Confident85.3Confident25 Ų2520.1 Ų20.113%0.13410%0.098CC..  trans-60.1115.7-179.5-179.4-16.2000109.3Y322 E529 M534 Y535Y322-N532 HydrophobicContact CE1-CB 3.89Å; Y322-N532 HydrophobicContact CE2-CB 4.41Å; E529-N532 WeakPolarHBondContact O-CB 3.37Å; E529-N532 PolarHBondContact O-N 3.22Å; N532-M534 PolarHBondContact O-N 3.4Å; N532-M534 WeakPolarHBondContact OD1-CB 3.46Å; N532-M534 WeakPolarHBondContact OD1-CG 3.44Å; N532-M534 PolarHBondContact OD1-N 3.1Å; N532-M534 VanDerWaalsContact OD1-N 3.11Å; N532-Y535 HydrophobicContact CB-CD2 3.83Å; N532-Y535 HydrophobicContact CB-CE2 3.97Å; N532-Y535 PolarHBondContact O-N 3.05Å; N532-Y535 VanDerWaalsContact O-N 3.16Å
533P84Confident83.4Confident14 Ų1421.9 Ų21.99%0.09112%0.116CC..G310 helixtrans-58.4-20.6-174.2-25.234.2000113.6L315 T318 V319 Y322 L531 Y535 C536L315-P533 HydrophobicContact CD1-CB 4.11Å; T318-P533 HydrophobicContact CG2-CB 4.24Å; T318-P533 HydrophobicContact CG2-CG 3.81Å; V319-P533 HydrophobicContact CG2-CB 3.99Å; V319-P533 HydrophobicContact CG2-CG 4.17Å; Y322-P533 HydrophobicContact CG-CG 4.47Å; L531-P533 WeakPolarHBondContact O-CD 3.05Å; L531-P533 VanDerWaalsContact O-N 3.08Å; P533-Y535 VanDerWaalsContact C-N 3.27Å; P533-Y535 PolarHBondContact O-N 2.97Å; P533-C536 PolarHBondContact O-N 3.36Å; P533-C536 VanDerWaalsContact O-N 3.08Å
534M84Confident81.7Confident11 Ų1122.8 Ų22.85%0.05412%0.121CC..G310 helixtrans-62.3-31.3-179.8-65-55-178.900113.6W286 T307 V319 N532 C536W286-M534 HydrophobicContact CH2-CE 3.74Å; W286-M534 HydrophobicContact CH2-SD 4.03Å; W286-M534 HydrophobicContact CZ2-CE 3.89Å; T307-M534 WeakPolarHBondContact CB-O 3.3Å; T307-M534 HydrophobicContact CG2-SD 3.9Å; T307-M534 PolarHBondContact OG1-O 3.35Å; V319-M534 HydrophobicContact CB-CE 4.07Å; V319-M534 HydrophobicContact CG1-CE 3.68Å; V319-M534 HydrophobicContact CG2-CE 3.36Å; V319-M534 HydrophobicContact CG2-SD 4.08Å; N532-M534 PolarHBondContact O-N 3.4Å; N532-M534 WeakPolarHBondContact OD1-CB 3.46Å; N532-M534 WeakPolarHBondContact OD1-CG 3.44Å; N532-M534 PolarHBondContact OD1-N 3.1Å; N532-M534 VanDerWaalsContact OD1-N 3.11Å; M534-C536 VanDerWaalsContact C-N 3.28Å; M534-C536 PolarHBondContact O-N 3.41Å; M534-C536 PolarHBondContact O-SG 3.32Å
535Y85.7Confident80.3Confident49 Ų4925.2 Ų25.219%0.19213%0.134CC..G310 helixtrans-79.2-11.5177.5-62.6-78.9000113.5L484 N532 P533 L537 N557 Y563L484-Y535 HydrophobicContact CD2-CD1 4.11Å; L484-Y535 HydrophobicContact CD2-CD2 3.56Å; L484-Y535 HydrophobicContact CD2-CE1 3.87Å; L484-Y535 HydrophobicContact CD2-CE2 3.3Å; L484-Y535 HydrophobicContact CD2-CG 3.96Å; L484-Y535 VanDerWaalsContact CD2-CZ 3.47Å; L484-Y535 HydrophobicContact CG-CE2 4.47Å; N532-Y535 HydrophobicContact CB-CD2 3.83Å; N532-Y535 HydrophobicContact CB-CE2 3.97Å; N532-Y535 PolarHBondContact O-N 3.05Å; N532-Y535 VanDerWaalsContact O-N 3.16Å; P533-Y535 VanDerWaalsContact C-N 3.27Å; P533-Y535 PolarHBondContact O-N 2.97Å; Y535-L537 PolarHBondContact O-N 3.48Å; Y535-N557 PolarHBondContact O-ND2 2.91Å; Y535-Y563 HydrophobicContact CD1-CE1 4.47Å
536C84.6Confident78.9Confident2 Ų225.1 Ų25.11%0.01413%0.133CC..  trans60.721.3176.8-49.90000114.8L309 P533 M534 N551 S554L309-C536 HydrophobicContact CD1-CB 4.34Å; L309-C536 WeakPolarHBondContact CD1-SG 3.33Å; L309-C536 VanDerWaalsContact CG-SG 3.58Å; P533-C536 PolarHBondContact O-N 3.36Å; P533-C536 VanDerWaalsContact O-N 3.08Å; M534-C536 VanDerWaalsContact C-N 3.28Å; M534-C536 PolarHBondContact O-N 3.41Å; M534-C536 PolarHBondContact O-SG 3.32Å; C536-N551 PolarHBondContact O-ND2 3.21Å; C536-S554 VanDerWaalsContact O-CA 3.26Å; C536-S554 WeakPolarHBondContact O-CA 3.35Å; C536-S554 VanDerWaalsContact O-CB 3.23Å; C536-S554 WeakPolarHBondContact O-CB 3.43Å
537L89.2Confident77.5Confident2 Ų226 Ų261%0.0114%0.139CC..  trans-81.6-47.3-175.2-56.6177.6000112.5Y535 N551 H560 Y563 F564Y535-L537 PolarHBondContact O-N 3.48Å; L537-N551 WeakPolarHBondContact O-CB 3.16Å; L537-N551 PolarHBondContact O-N 3.48Å; L537-H560 HydrophobicContact CD2-CB 4.14Å; L537-Y563 HydrophobicContact CD1-CD1 4.14Å; L537-Y563 HydrophobicContact CD1-CG 4.08Å; L537-Y563 HydrophobicContact CD2-CG 4.22Å; L537-F564 HydrophobicContact CB-CE1 4.41Å; L537-F564 HydrophobicContact CB-CZ 4.09Å; L537-F564 HydrophobicContact CD2-CE2 4.18Å; L537-F564 HydrophobicContact CD2-CZ 4.34Å; L537-F564 VanDerWaalsContact O-CZ 3.3Å; L537-F564 WeakPolarHBondContact O-CZ 3.26Å
538F88.4Confident77Confident19 Ų1926 Ų268%0.08314%0.139CC..EExtended strand (participates in β ladder)trans-121.9157.2-175.9-60.6-77.8000111L530 Q549 I550 F564 V567 F585L530-F538 WeakPolarHBondContact O-CD2 3.37Å; F538-Q549 WeakPolarHBondContact CA-O 3.41Å; F538-I550 HydrophobicContact CD1-CG1 4.42Å; F538-I550 HydrophobicContact CE1-CG1 4.06Å; F538-F564 AromaticContact CE1-CE1 3.88Å; F538-F564 HydrophobicContact CE1-CE1 3.88Å; F538-F564 HydrophobicContact CE2-CE1 4.43Å; F538-F564 HydrophobicContact CZ-CD1 4.26Å; F538-F564 AromaticContact CZ-CE1 3.79Å; F538-F564 HydrophobicContact CZ-CE1 3.79Å; F538-V567 HydrophobicContact CE2-CG2 4.34Å; F538-V567 HydrophobicContact CZ-CG1 4.09Å; F538-V567 HydrophobicContact CZ-CG2 4.49Å; F538-F585 HydrophobicContact CE1-CD1 4.45Å; F538-F585 AromaticContact CE1-CE1 3.79Å; F538-F585 HydrophobicContact CE1-CE1 3.79Å; F538-F585 HydrophobicContact CZ-CE1 4.03Å
539E80.6Confident76.8Confident71 Ų7127.1 Ų27.133%0.33214%0.144SC..EExtended strand (participates in β ladder)trans-132.2160.1167.363.4-176.9-164.200109.1Q549 N551E539-Q549 HydrophobicContact CG-CG 3.49Å; E539-Q549 VanDerWaalsContact CG-CG 3.49Å; E539-Q549 PolarHBondContact N-O 3.11Å; E539-Q549 PolarHBondContact O-N 2.93Å; E539-Q549 PolarHBondContact OE1-NE2 3.03Å; E539-N551 HydrophobicContact CB-CB 4.47Å; E539-N551 HydrophobicContact CG-CB 4.39Å
540Y75.8Confident76.9Confident43 Ų4324.7 Ų24.717%0.16913%0.133CC..EExtended strand (participates in β ladder)trans-76.8130.9173.1-68.7-74.9000109.3M325 S542 N545 L548M325-Y540 WeakPolarHBondContact CE-OH 3.48Å; Y540-S542 PolarHBondContact O-N 3.48Å; Y540-S542 VanDerWaalsContact O-N 3.11Å; Y540-N545 VanDerWaalsContact CD1-C 3.48Å; Y540-N545 VanDerWaalsContact CE1-C 3.47Å; Y540-N545 WeakPolarHBondContact CE1-O 3.38Å; Y540-L548 HydrophobicContact CD1-CD2 3.98Å; Y540-L548 HydrophobicContact CE1-CD2 3.82Å
541A66.8Low76.8Confident0 Ų025.3 Ų25.30%014%0.136CC..SBendtrans-71.6104.4170.700000107.7N544 A547 Q549 T586 V606A541-N544 VanDerWaalsContact O-CG 3.29Å; A541-N544 PolarHBondContact O-ND2 2.92Å; A541-N544 PolarHBondContact O-OD1 3.32Å; A541-A547 HydrophobicContact CB-CB 4.34Å; A541-A547 PolarHBondContact N-O 3.37Å; A541-Q549 HydrophobicContact CB-CB 4.43Å; A541-Q549 HydrophobicContact CB-CG 4.24Å; A541-T586 HydrophobicContact CB-CG2 4.04Å; A541-V606 HydrophobicContact CB-CB 4.28Å; A541-V606 HydrophobicContact CB-CG1 4.07Å
542S61.1Low76.8Confident38 Ų3827.4 Ų27.427%0.26615%0.15SC..THydrogen-bonded Turntrans56.4-170.8-179.875.70000115Y540 N544 N774Y540-S542 PolarHBondContact O-N 3.48Å; Y540-S542 VanDerWaalsContact O-N 3.11Å; S542-N544 PolarHBondContact O-N 3.36Å; S542-N774 WeakPolarHBondContact CB-OD1 3.36Å; S542-N774 PolarHBondContact OG-OD1 2.86Å
543G56Low76.6Confident37 Ų3727.9 Ų27.938%0.38116%0.157SC..THydrogen-bonded Turntrans-66.64.6-171.900000115.5N774G543-N774 WeakPolarHBondContact CA-O 3.42Å; G543-N774 PolarHBondContact N-O 3.16Å; G543-N774 VanDerWaalsContact N-O 3.17Å
544N57.8Low76.9Confident19 Ų1927.2 Ų27.210%0.10215%0.153CC..  trans-84.4123.3170.179.265.8000109.4A541 S542 Y546 A547A541-N544 VanDerWaalsContact O-CG 3.29Å; A541-N544 PolarHBondContact O-ND2 2.92Å; A541-N544 PolarHBondContact O-OD1 3.32Å; S542-N544 PolarHBondContact O-N 3.36Å; N544-Y546 PolarHBondContact O-N 3.07Å; N544-Y546 VanDerWaalsContact O-N 3.08Å; N544-Y546 PolarHBondContact OD1-N 3.4Å; N544-A547 WeakPolarHBondContact OD1-CB 3.37Å; N544-A547 PolarHBondContact OD1-N 3.47Å
545N60.9Low77Confident52 Ų5230.1 Ų30.128%0.27818%0.175SC..SBendtrans-81.923.5-180-72.5-20.6000112.7M325 Y540 M772M325-N545 HydrophobicContact CE-CB 3.74Å; Y540-N545 VanDerWaalsContact CD1-C 3.48Å; Y540-N545 VanDerWaalsContact CE1-C 3.47Å; Y540-N545 WeakPolarHBondContact CE1-O 3.38Å; N545-M772 HydrophobicContact CB-CE 4.35Å; N545-M772 HydrophobicContact CB-SD 4.09Å
546Y60.5Low76.7Confident52 Ų5229.7 Ų29.720%0.20418%0.177CC..SBendtrans-122.6-35-169.3-62.9-64.5000113.4N544 R762 P764 M772N544-Y546 PolarHBondContact O-N 3.07Å; N544-Y546 VanDerWaalsContact O-N 3.08Å; N544-Y546 PolarHBondContact OD1-N 3.4Å; Y546-R762 VanDerWaalsContact O-CZ 3.31Å; Y546-R762 PolarHBondContact O-NH1 3.49Å; Y546-R762 VanDerWaalsContact O-NH1 3.08Å; Y546-R762 PolarHBondContact O-NH2 3.15Å; Y546-P764 HydrophobicContact CE2-CG 4.16Å; Y546-P764 WeakPolarHBondContact OH-CB 3.38Å; Y546-P764 WeakPolarHBondContact OH-CG 3.34Å; Y546-M772 HydrophobicContact CD2-CB 4.15Å; Y546-M772 HydrophobicContact CD2-SD 4.45Å; Y546-M772 HydrophobicContact CE2-CB 3.72Å; Y546-M772 HydrophobicContact CE2-CG 3.65Å; Y546-M772 HydrophobicContact CE2-SD 3.67Å
547A65.3Low76.7Confident17 Ų1729.7 Ų29.714%0.1418%0.177CC..  trans-96.6121.7-175.800000110A541 N544 T586A541-A547 HydrophobicContact CB-CB 4.34Å; A541-A547 PolarHBondContact N-O 3.37Å; N544-A547 WeakPolarHBondContact OD1-CB 3.37Å; N544-A547 PolarHBondContact OD1-N 3.47Å; A547-T586 HydrophobicContact CB-CG2 3.54Å
548L79.5Confident76.6Confident5 Ų532 Ų323%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-97.4136.4-176.3-64.6166.2000110.9L531 Y540 N583 F585 T586L531-L548 HydrophobicContact CD1-CD1 3.96Å; L531-L548 HydrophobicContact CD1-CD2 4Å; L531-L548 HydrophobicContact CD1-CG 4.5Å; L531-L548 HydrophobicContact CD2-CD1 3.19Å; L531-L548 HydrophobicContact CD2-CD2 3.64Å; L531-L548 HydrophobicContact CD2-CG 4.02Å; L531-L548 HydrophobicContact CG-CD1 4.19Å; L531-L548 HydrophobicContact CG-CD2 4.33Å; Y540-L548 HydrophobicContact CD1-CD2 3.98Å; Y540-L548 HydrophobicContact CE1-CD2 3.82Å; L548-N583 HydrophobicContact CD1-CB 3.97Å; L548-F585 HydrophobicContact CB-CD1 4.32Å; L548-T586 VanDerWaalsContact O-CG2 3.28Å; L548-T586 WeakPolarHBondContact O-CG2 3.48Å; L548-T586 PolarHBondContact O-N 2.83Å
549Q84.5Confident76.8Confident34 Ų3434.5 Ų34.516%0.15920%0.204CC..EExtended strand (participates in β ladder)trans-124.9152.7168.468.4-172.4700110.6F538 E539 A541 N551F538-Q549 WeakPolarHBondContact CA-O 3.41Å; E539-Q549 HydrophobicContact CG-CG 3.49Å; E539-Q549 VanDerWaalsContact CG-CG 3.49Å; E539-Q549 PolarHBondContact N-O 3.11Å; E539-Q549 PolarHBondContact O-N 2.93Å; E539-Q549 PolarHBondContact OE1-NE2 3.03Å; A541-Q549 HydrophobicContact CB-CB 4.43Å; A541-Q549 HydrophobicContact CB-CG 4.24Å; Q549-N551 PolarHBondContact O-N 2.69Å
550I90.5Very high77.3Confident9 Ų932.1 Ų32.15%0.04619%0.193CC..EExtended strand (participates in β ladder)trans-62.7130.8173.1-67.7178.3000107.9F538 P552 F564 F589 V676 Q679F538-I550 HydrophobicContact CD1-CG1 4.42Å; F538-I550 HydrophobicContact CE1-CG1 4.06Å; I550-P552 VanDerWaalsContact O-CD 3.25Å; I550-P552 WeakPolarHBondContact O-CD 3.15Å; I550-F564 HydrophobicContact CB-CE1 4.47Å; I550-F564 HydrophobicContact CD1-CD1 4.48Å; I550-F564 HydrophobicContact CD1-CE1 4.19Å; I550-F564 HydrophobicContact CG1-CE1 3.89Å; I550-F564 HydrophobicContact CG1-CZ 4.43Å; I550-F564 HydrophobicContact CG2-CE1 4.03Å; I550-F564 HydrophobicContact CG2-CE2 4.41Å; I550-F564 HydrophobicContact CG2-CZ 3.69Å; I550-F589 HydrophobicContact CD1-CE2 3.87Å; I550-F589 HydrophobicContact CG1-CE2 4.29Å; I550-V676 HydrophobicContact CB-CB 4.16Å; I550-V676 HydrophobicContact CB-CG1 3.88Å; I550-V676 HydrophobicContact CG2-CB 3.88Å; I550-V676 HydrophobicContact CG2-CG1 3.62Å; I550-Q679 HydrophobicContact CD1-CB 4Å; I550-Q679 HydrophobicContact CG2-CB 3.67Å; I550-Q679 HydrophobicContact CG2-CG 3.83Å
551N86.8Confident78.3Confident20 Ų2033.3 Ų33.311%0.10720%0.202CC..  trans-71.6117.8173179.9-3.9000109.3C536 L537 E539 Q549 A553 S554C536-N551 PolarHBondContact O-ND2 3.21Å; L537-N551 WeakPolarHBondContact O-CB 3.16Å; L537-N551 PolarHBondContact O-N 3.48Å; E539-N551 HydrophobicContact CB-CB 4.47Å; E539-N551 HydrophobicContact CG-CB 4.39Å; Q549-N551 PolarHBondContact O-N 2.69Å; N551-A553 PolarHBondContact O-N 2.9Å; N551-A553 WeakPolarHBondContact OD1-CA 3.41Å; N551-A553 WeakPolarHBondContact OD1-CB 3.28Å; N551-A553 PolarHBondContact OD1-N 3.35Å; N551-S554 WeakPolarHBondContact O-CB 3.32Å; N551-S554 PolarHBondContact O-N 3.12Å; N551-S554 PolarHBondContact O-OG 2.86Å
552P85.6Confident79.7Confident56 Ų5638.2 Ų38.236%0.36423%0.225SC..G310 helixtrans-60.3-27176.6-22.634.6000113.2I550 S554 G675 V676I550-P552 VanDerWaalsContact O-CD 3.25Å; I550-P552 WeakPolarHBondContact O-CD 3.15Å; P552-S554 VanDerWaalsContact C-N 3.25Å; P552-S554 PolarHBondContact O-N 2.75Å; P552-G675 WeakPolarHBondContact CA-O 3.35Å; P552-V676 HydrophobicContact CB-CG1 4.29Å; P552-V676 HydrophobicContact CG-CG1 3.99Å
553A81.5Confident81.4Confident35 Ų3537.2 Ų37.229%0.28922%0.215SC..G310 helixtrans-85.912.5175.800000113.5N551 S555 V556N551-A553 PolarHBondContact O-N 2.9Å; N551-A553 WeakPolarHBondContact OD1-CA 3.41Å; N551-A553 WeakPolarHBondContact OD1-CB 3.28Å; N551-A553 PolarHBondContact OD1-N 3.35Å; A553-S555 PolarHBondContact O-N 2.85Å; A553-S555 VanDerWaalsContact O-N 3.12Å; A553-V556 WeakPolarHBondContact O-CB 3.25Å; A553-V556 VanDerWaalsContact O-CG2 3.26Å; A553-V556 WeakPolarHBondContact O-CG2 3.18Å; A553-V556 PolarHBondContact O-N 2.83Å; A553-V556 VanDerWaalsContact O-N 3.11Å
554S89.6Confident83.4Confident0 Ų035.5 Ų35.50%020%0.197CC..G310 helixtrans-59.8-22.217851.10000113.8C536 N551 P552 V556 N557 H560 Q679C536-S554 VanDerWaalsContact O-CA 3.26Å; C536-S554 WeakPolarHBondContact O-CA 3.35Å; C536-S554 VanDerWaalsContact O-CB 3.23Å; C536-S554 WeakPolarHBondContact O-CB 3.43Å; N551-S554 WeakPolarHBondContact O-CB 3.32Å; N551-S554 PolarHBondContact O-N 3.12Å; N551-S554 PolarHBondContact O-OG 2.86Å; P552-S554 VanDerWaalsContact C-N 3.25Å; P552-S554 PolarHBondContact O-N 2.75Å; S554-V556 PolarHBondContact O-N 3.27Å; S554-V556 VanDerWaalsContact O-N 3.08Å; S554-N557 WeakPolarHBondContact O-CB 3.35Å; S554-N557 PolarHBondContact O-N 2.84Å; S554-H560 VanDerWaalsContact O-CB 3.22Å; S554-H560 WeakPolarHBondContact O-CB 3.47Å; S554-H560 PolarHBondContact OG-ND1 2.82Å; S554-H560 VanDerWaalsContact OG-ND1 3.14Å; S554-Q679 WeakPolarHBondContact OG-CG 3.46Å; S554-Q679 PolarHBondContact OG-NE2 3.42Å
555S86.1Confident85.3Confident72 Ų7238.6 Ų38.650%0.50321%0.208SC..G310 helixtrans-60-15.8174.656.70000114.3A553 N557 H560A553-S555 PolarHBondContact O-N 2.85Å; A553-S555 VanDerWaalsContact O-N 3.12Å; S555-N557 PolarHBondContact O-N 2.67Å; S555-H560 PolarHBondContact N-ND1 3.29Å
556V78.9Confident87Confident41 Ų4136.1 Ų36.125%0.24819%0.194CC..G310 helixtrans-60.3-32.2168.9175.70000111W308 L309 A553 S554 P558W308-V556 HydrophobicContact CB-CG1 3.61Å; W308-V556 WeakPolarHBondContact CB-O 3.03Å; W308-V556 WeakPolarHBondContact O-CG1 3.38Å; L309-V556 HydrophobicContact CD2-CB 4.36Å; L309-V556 HydrophobicContact CD2-CG1 3.91Å; L309-V556 HydrophobicContact CD2-CG2 4.19Å; L309-V556 HydrophobicContact CG-CG1 4.23Å; A553-V556 WeakPolarHBondContact O-CB 3.25Å; A553-V556 VanDerWaalsContact O-CG2 3.26Å; A553-V556 WeakPolarHBondContact O-CG2 3.18Å; A553-V556 PolarHBondContact O-N 2.83Å; A553-V556 VanDerWaalsContact O-N 3.11Å; S554-V556 PolarHBondContact O-N 3.27Å; S554-V556 VanDerWaalsContact O-N 3.08Å; V556-P558 WeakPolarHBondContact O-CD 3.32Å
557N85.3Confident88.7Confident2 Ų233.7 Ų33.71%0.01119%0.185CC..SBendtrans-83.9114.8165.1178.6-5.1000109.1W308 Y535 S554 S555 E559 H560W308-N557 HydrophobicContact CG-CB 4.45Å; Y535-N557 PolarHBondContact O-ND2 2.91Å; S554-N557 WeakPolarHBondContact O-CB 3.35Å; S554-N557 PolarHBondContact O-N 2.84Å; S555-N557 PolarHBondContact O-N 2.67Å; N557-E559 PolarHBondContact O-N 3.03Å; N557-E559 PolarHBondContact OD1-N 3.33Å; N557-H560 HydrophobicContact CB-CB 4.18Å; N557-H560 VanDerWaalsContact O-CB 3.22Å; N557-H560 WeakPolarHBondContact O-CB 3.43Å; N557-H560 PolarHBondContact O-CD2 3.02Å; N557-H560 VanDerWaalsContact O-CD2 3.23Å; N557-H560 PolarHBondContact O-N 2.86Å
558P87.8Confident90.2Very high50 Ų5032.9 Ų32.933%0.32518%0.178SC..THydrogen-bonded Turntrans-66-22.9-176.627.4-35.6000114.1R295 W308 V556 H560R295-P558 VanDerWaalsContact NH1-CG 3.29Å; W308-P558 VanDerWaalsContact CE2-CD 3.46Å; W308-P558 HydrophobicContact CH2-CG 3.97Å; W308-P558 HydrophobicContact CZ2-CG 3.69Å; W308-P558 HydrophobicContact CZ3-CG 4.49Å; V556-P558 WeakPolarHBondContact O-CD 3.32Å; P558-H560 VanDerWaalsContact C-N 3.34Å
559E90.8Very high91.1Very high72 Ų7233 Ų3334%0.33618%0.178SC..THydrogen-bonded Turntrans-94.28178.5-65.6175.7123.600111.6N557 L561 E562 Y563N557-E559 PolarHBondContact O-N 3.03Å; N557-E559 PolarHBondContact OD1-N 3.33Å; E559-L561 VanDerWaalsContact C-N 3.28Å; E559-L561 PolarHBondContact O-N 3.29Å; E559-L561 VanDerWaalsContact O-N 3.14Å; E559-E562 WeakPolarHBondContact O-CB 3.41Å; E559-E562 PolarHBondContact O-N 2.88Å; E559-Y563 HydrophobicContact CB-CD2 3.98Å; E559-Y563 HydrophobicContact CB-CE2 3.94Å; E559-Y563 WeakPolarHBondContact O-CD2 3.1Å; E559-Y563 PolarHBondContact O-N 2.96Å
560H93.1Very high91.6Very high20 Ų2031.5 Ų31.59%0.09317%0.171CC..Hα-helixtrans-54.9-39.5-171.775.9130.1000113.5L537 S554 S555 N557 P558 E562 Y563 F564L537-H560 HydrophobicContact CD2-CB 4.14Å; S554-H560 VanDerWaalsContact O-CB 3.22Å; S554-H560 WeakPolarHBondContact O-CB 3.47Å; S554-H560 PolarHBondContact OG-ND1 2.82Å; S554-H560 VanDerWaalsContact OG-ND1 3.14Å; S555-H560 PolarHBondContact N-ND1 3.29Å; N557-H560 HydrophobicContact CB-CB 4.18Å; N557-H560 VanDerWaalsContact O-CB 3.22Å; N557-H560 WeakPolarHBondContact O-CB 3.43Å; N557-H560 PolarHBondContact O-CD2 3.02Å; N557-H560 VanDerWaalsContact O-CD2 3.23Å; N557-H560 PolarHBondContact O-N 2.86Å; P558-H560 VanDerWaalsContact C-N 3.34Å; H560-E562 PolarHBondContact O-N 2.95Å; H560-Y563 CarbonylContact O-C 3.56Å; H560-Y563 WeakPolarHBondContact O-CB 3.3Å; H560-Y563 PolarHBondContact O-N 2.76Å; H560-F564 HydrophobicContact CB-CD2 4.4Å; H560-F564 HydrophobicContact CB-CE2 4.17Å; H560-F564 AromaticContact ND1-CE2 3.96Å; H560-F564 WeakPolarHBondContact O-CD2 3.44Å; H560-F564 PolarHBondContact O-N 3.13Å
561L96.5Very high91.9Very high68 Ų6831.2 Ų31.236%0.35617%0.169SC..Hα-helixtrans-65.9-37.2178.1-59-175.4000112.2E559 F564 R565 D678 Q679 A682E559-L561 VanDerWaalsContact C-N 3.28Å; E559-L561 PolarHBondContact O-N 3.29Å; E559-L561 VanDerWaalsContact O-N 3.14Å; L561-F564 PolarHBondContact O-N 2.93Å; L561-R565 PolarHBondContact O-N 2.98Å; L561-D678 HydrophobicContact CD2-CB 3.84Å; L561-Q679 HydrophobicContact CD2-CG 4.37Å; L561-A682 HydrophobicContact CB-CB 4.21Å; L561-A682 HydrophobicContact CD2-CB 4.34Å; L561-A682 WeakPolarHBondContact O-CB 3.41Å
562E96.2Very high92.4Very high104 Ų10430.2 Ų30.249%0.48616%0.164SC..Hα-helixtrans-66.9-40.8174.5-63.1-166.4-175.900110.8F488 E559 H560 R565 F566F488-E562 HydrophobicContact CE2-CB 4.12Å; F488-E562 HydrophobicContact CZ-CB 3.99Å; E559-E562 WeakPolarHBondContact O-CB 3.41Å; E559-E562 PolarHBondContact O-N 2.88Å; H560-E562 PolarHBondContact O-N 2.95Å; E562-R565 PolarHBondContact O-N 3.27Å; E562-F566 WeakPolarHBondContact O-CB 2.87Å; E562-F566 PolarHBondContact O-N 2.88Å
563Y96.4Very high92.9Very high17 Ų1727.7 Ų27.77%0.06715%0.148CC..Hα-helixtrans-59.9-44.8171.5-82-74.4000111.9F488 Y535 L537 E559 H560 R565 F566 V567F488-Y563 HydrophobicContact CB-CE1 4.41Å; F488-Y563 HydrophobicContact CD1-CE1 4.49Å; F488-Y563 AromaticContact CD2-CD1 3.86Å; F488-Y563 HydrophobicContact CD2-CD1 3.86Å; F488-Y563 AromaticContact CD2-CE1 3.95Å; F488-Y563 HydrophobicContact CD2-CE1 3.95Å; F488-Y563 HydrophobicContact CD2-CG 4.47Å; F488-Y563 HydrophobicContact CE2-CD1 4.13Å; F488-Y563 HydrophobicContact CE2-CE1 4.36Å; F488-Y563 HydrophobicContact CE2-CG 4.3Å; F488-Y563 HydrophobicContact CG-CD1 4.4Å; F488-Y563 HydrophobicContact CG-CE1 4.03Å; Y535-Y563 HydrophobicContact CD1-CE1 4.47Å; L537-Y563 HydrophobicContact CD1-CD1 4.14Å; L537-Y563 HydrophobicContact CD1-CG 4.08Å; L537-Y563 HydrophobicContact CD2-CG 4.22Å; E559-Y563 HydrophobicContact CB-CD2 3.98Å; E559-Y563 HydrophobicContact CB-CE2 3.94Å; E559-Y563 WeakPolarHBondContact O-CD2 3.1Å; E559-Y563 PolarHBondContact O-N 2.96Å; H560-Y563 CarbonylContact O-C 3.56Å; H560-Y563 WeakPolarHBondContact O-CB 3.3Å; H560-Y563 PolarHBondContact O-N 2.76Å; Y563-R565 PolarHBondContact O-N 3.05Å; Y563-F566 WeakPolarHBondContact O-CB 3.28Å; Y563-F566 PolarHBondContact O-N 3.17Å; Y563-V567 VanDerWaalsContact O-CG2 3.27Å; Y563-V567 WeakPolarHBondContact O-CG2 3.4Å; Y563-V567 PolarHBondContact O-N 2.84Å
564F96.9Very high93.5Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-63.9-39.3176.5-76.7-65.6000112.3L537 F538 I550 H560 L561 V567 G568 Q679 A682 F683L537-F564 HydrophobicContact CB-CE1 4.41Å; L537-F564 HydrophobicContact CB-CZ 4.09Å; L537-F564 HydrophobicContact CD2-CE2 4.18Å; L537-F564 HydrophobicContact CD2-CZ 4.34Å; L537-F564 VanDerWaalsContact O-CZ 3.3Å; L537-F564 WeakPolarHBondContact O-CZ 3.26Å; F538-F564 AromaticContact CE1-CE1 3.88Å; F538-F564 HydrophobicContact CE1-CE1 3.88Å; F538-F564 HydrophobicContact CE2-CE1 4.43Å; F538-F564 HydrophobicContact CZ-CD1 4.26Å; F538-F564 AromaticContact CZ-CE1 3.79Å; F538-F564 HydrophobicContact CZ-CE1 3.79Å; I550-F564 HydrophobicContact CB-CE1 4.47Å; I550-F564 HydrophobicContact CD1-CD1 4.48Å; I550-F564 HydrophobicContact CD1-CE1 4.19Å; I550-F564 HydrophobicContact CG1-CE1 3.89Å; I550-F564 HydrophobicContact CG1-CZ 4.43Å; I550-F564 HydrophobicContact CG2-CE1 4.03Å; I550-F564 HydrophobicContact CG2-CE2 4.41Å; I550-F564 HydrophobicContact CG2-CZ 3.69Å; H560-F564 HydrophobicContact CB-CD2 4.4Å; H560-F564 HydrophobicContact CB-CE2 4.17Å; H560-F564 AromaticContact ND1-CE2 3.96Å; H560-F564 WeakPolarHBondContact O-CD2 3.44Å; H560-F564 PolarHBondContact O-N 3.13Å; L561-F564 PolarHBondContact O-N 2.93Å; F564-V567 PolarHBondContact O-N 2.67Å; F564-G568 PolarHBondContact O-N 2.99Å; F564-Q679 WeakPolarHBondContact CB-O 3.37Å; F564-Q679 HydrophobicContact CD1-CB 4.26Å; F564-Q679 HydrophobicContact CD2-CB 3.5Å; F564-Q679 VanDerWaalsContact CD2-CB 3.5Å; F564-Q679 HydrophobicContact CD2-CG 3.53Å; F564-Q679 HydrophobicContact CE1-CB 4.29Å; F564-Q679 HydrophobicContact CE2-CB 3.57Å; F564-Q679 HydrophobicContact CE2-CG 3.25Å; F564-Q679 HydrophobicContact CG-CB 3.9Å; F564-Q679 HydrophobicContact CG-CG 4.41Å; F564-Q679 HydrophobicContact CZ-CB 3.97Å; F564-Q679 HydrophobicContact CZ-CG 3.91Å; F564-A682 HydrophobicContact CB-CB 3.98Å; F564-F683 HydrophobicContact CB-CB 4.42Å; F564-F683 VanDerWaalsContact O-CA 3.32Å; F564-F683 WeakPolarHBondContact O-CA 3.45Å
565R97.7Very high93.7Very high85 Ų8526.2 Ų26.232%0.32114%0.135SC..Hα-helixtrans-61.5-43.1171.8-173179.9179.8176.26.3111.9M492 L561 E562 Y563 V567 G568 R569 A682 G686 D689M492-R565 HydrophobicContact CE-CB 4.22Å; M492-R565 HydrophobicContact CE-CG 4.16Å; L561-R565 PolarHBondContact O-N 2.98Å; E562-R565 PolarHBondContact O-N 3.27Å; Y563-R565 PolarHBondContact O-N 3.05Å; R565-V567 VanDerWaalsContact C-N 3.35Å; R565-G568 PolarHBondContact O-N 3.05Å; R565-R569 PolarHBondContact O-N 2.81Å; R565-A682 VanDerWaalsContact CA-O 3.26Å; R565-A682 WeakPolarHBondContact CA-O 3.39Å; R565-G686 WeakPolarHBondContact O-CA 3.49Å; R565-D689 IonicContact CZ-OD2 3.41Å; R565-D689 VanDerWaalsContact CZ-OD2 3.28Å; R565-D689 IonicContact NE-OD2 3.63Å; R565-D689 PolarHBondContact NE-OD2 3.36Å; R565-D689 IonicContact NH2-OD1 3.34Å; R565-D689 PolarHBondContact NH2-OD1 2.87Å; R565-D689 IonicContact NH2-OD2 3.47Å; R565-D689 PolarHBondContact NH2-OD2 2.91Å
566F97.5Very high94.1Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-59.4-45.2173.1163.4-107.9000111.7L484 F488 I491 M492 L526 L530 E562 Y563 G568 R569 F570L484-F566 HydrophobicContact CD1-CE1 3.65Å; L484-F566 HydrophobicContact CD1-CZ 4.38Å; F488-F566 HydrophobicContact CB-CD1 4.38Å; F488-F566 HydrophobicContact CB-CD2 4.49Å; F488-F566 HydrophobicContact CB-CE1 4.39Å; F488-F566 HydrophobicContact CB-CE2 4.5Å; F488-F566 HydrophobicContact CB-CG 4.41Å; F488-F566 HydrophobicContact CB-CZ 4.43Å; F488-F566 HydrophobicContact CD2-CB 3.61Å; F488-F566 HydrophobicContact CD2-CD1 4.02Å; F488-F566 HydrophobicContact CD2-CD2 4.32Å; F488-F566 AromaticContact CD2-CG 3.72Å; F488-F566 HydrophobicContact CD2-CG 3.72Å; F488-F566 HydrophobicContact CE2-CB 3.99Å; I491-F566 HydrophobicContact CB-CD2 3.92Å; I491-F566 HydrophobicContact CB-CE2 3.76Å; I491-F566 HydrophobicContact CG1-CE2 4.01Å; I491-F566 HydrophobicContact CG2-CD2 3.93Å; I491-F566 HydrophobicContact CG2-CE2 4.07Å; M492-F566 HydrophobicContact CG-CB 3.94Å; M492-F566 HydrophobicContact CG-CD2 4.37Å; M492-F566 HydrophobicContact SD-CB 3.71Å; L526-F566 HydrophobicContact CD1-CZ 4.42Å; L526-F566 HydrophobicContact CD2-CZ 3.93Å; L530-F566 HydrophobicContact CD2-CD1 4.47Å; L530-F566 HydrophobicContact CD2-CE1 4.09Å; E562-F566 WeakPolarHBondContact O-CB 2.87Å; E562-F566 PolarHBondContact O-N 2.88Å; Y563-F566 WeakPolarHBondContact O-CB 3.28Å; Y563-F566 PolarHBondContact O-N 3.17Å; F566-G568 VanDerWaalsContact C-N 3.31Å; F566-G568 PolarHBondContact O-N 2.9Å; F566-R569 WeakPolarHBondContact O-CB 3.35Å; F566-R569 PolarHBondContact O-N 3.46Å; F566-F570 WeakPolarHBondContact O-CB 3.33Å; F566-F570 PolarHBondContact O-N 3.33Å
567V96.2Very high94.7Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-61.4-41.7177177.60000110.6L530 F538 Y563 F564 R565 R569 F570 I571 F585 F683L530-V567 HydrophobicContact CD1-CG1 4.32Å; L530-V567 HydrophobicContact CD1-CG2 4.01Å; L530-V567 HydrophobicContact CD2-CG2 3.5Å; L530-V567 VanDerWaalsContact CD2-CG2 3.5Å; L530-V567 HydrophobicContact CG-CG2 4.37Å; F538-V567 HydrophobicContact CE2-CG2 4.34Å; F538-V567 HydrophobicContact CZ-CG1 4.09Å; F538-V567 HydrophobicContact CZ-CG2 4.49Å; Y563-V567 VanDerWaalsContact O-CG2 3.27Å; Y563-V567 WeakPolarHBondContact O-CG2 3.4Å; Y563-V567 PolarHBondContact O-N 2.84Å; F564-V567 PolarHBondContact O-N 2.67Å; R565-V567 VanDerWaalsContact C-N 3.35Å; V567-R569 PolarHBondContact O-N 2.88Å; V567-F570 PolarHBondContact O-N 3.32Å; V567-I571 HydrophobicContact CG1-CG1 4.17Å; V567-I571 VanDerWaalsContact O-CG1 3.29Å; V567-I571 WeakPolarHBondContact O-CG1 3.42Å; V567-I571 PolarHBondContact O-N 3.21Å; V567-F585 HydrophobicContact CG1-CZ 4.33Å; V567-F683 HydrophobicContact CB-CD2 4.3Å; V567-F683 HydrophobicContact CG1-CD2 3.95Å; V567-F683 HydrophobicContact CG1-CE2 3.9Å
568G96.7Very high94.9Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-54.6-50.2172.200000112.7F564 R565 F566 F570 I571 A572 F683 G686 F687F564-G568 PolarHBondContact O-N 2.99Å; R565-G568 PolarHBondContact O-N 3.05Å; F566-G568 VanDerWaalsContact C-N 3.31Å; F566-G568 PolarHBondContact O-N 2.9Å; G568-F570 PolarHBondContact O-N 2.85Å; G568-I571 PolarHBondContact O-N 2.83Å; G568-A572 WeakPolarHBondContact O-CB 3.13Å; G568-A572 PolarHBondContact O-N 3.36Å; G568-F683 VanDerWaalsContact CA-O 3.28Å; G568-F683 WeakPolarHBondContact CA-O 3.12Å; G568-G686 VanDerWaalsContact C-C 3.5Å; G568-F687 WeakPolarHBondContact O-CA 3.45Å
569R97.7Very high95.1Very high9 Ų922.4 Ų22.43%0.03410%0.104CC..Hα-helixtrans-60.1-44.9175.3-72.1-179.2176-160-1.3111.9I491 M492 L494 L499 R565 F566 V567 A572 L573 G686 D689 V690I491-R569 HydrophobicContact CG2-CB 4.06Å; I491-R569 PolarHBondContact O-NH1 3.17Å; M492-R569 PolarHBondContact O-NH1 3.33Å; L494-R569 PolarHBondContact O-NH1 2.91Å; L499-R569 HydrophobicContact CD1-CG 4.04Å; R565-R569 PolarHBondContact O-N 2.81Å; F566-R569 WeakPolarHBondContact O-CB 3.35Å; F566-R569 PolarHBondContact O-N 3.46Å; V567-R569 PolarHBondContact O-N 2.88Å; R569-A572 PolarHBondContact O-N 2.95Å; R569-L573 WeakPolarHBondContact O-CB 3.41Å; R569-L573 WeakPolarHBondContact O-CG 3.41Å; R569-L573 PolarHBondContact O-N 2.59Å; R569-G686 WeakPolarHBondContact CA-O 3.45Å; R569-G686 WeakPolarHBondContact CG-O 3.29Å; R569-G686 PolarHBondContact N-O 3.08Å; R569-D689 HydrophobicContact CG-CB 4.2Å; R569-D689 IonicContact CZ-OD2 2.71Å; R569-D689 VanDerWaalsContact CZ-OD2 3.25Å; R569-D689 IonicContact NE-OD2 3.26Å; R569-D689 PolarHBondContact NE-OD2 2.94Å; R569-D689 IonicContact NH2-OD1 2.84Å; R569-D689 IonicContact NH2-OD2 3.88Å; R569-D689 PolarHBondContact NH2-OD2 2.88Å; R569-V690 HydrophobicContact CB-CG2 4.38Å; R569-V690 HydrophobicContact CG-CG2 4.49Å
570F96.8Very high95.2Very high1 Ų119 Ų190%0.0049%0.088CC..Hα-helixtrans-61.3-46.9-179167.5-106.9000112.2W522 F523 L526 L530 F566 V567 G568 L573 A574 I581W522-F570 HydrophobicContact CE3-CE2 4.42Å; W522-F570 AromaticContact CH2-CD2 3.87Å; W522-F570 HydrophobicContact CH2-CD2 3.87Å; W522-F570 HydrophobicContact CH2-CE2 4.2Å; W522-F570 AromaticContact CZ3-CD2 4Å; W522-F570 HydrophobicContact CZ3-CD2 4Å; W522-F570 AromaticContact CZ3-CE2 3.97Å; W522-F570 HydrophobicContact CZ3-CE2 3.97Å; F523-F570 HydrophobicContact CD1-CD2 4.03Å; F523-F570 AromaticContact CD1-CE2 3.32Å; F523-F570 HydrophobicContact CD1-CE2 3.32Å; F523-F570 AromaticContact CD1-CZ 3.83Å; F523-F570 HydrophobicContact CD1-CZ 3.83Å; F523-F570 HydrophobicContact CE1-CD2 4.02Å; F523-F570 AromaticContact CE1-CE2 3.79Å; F523-F570 HydrophobicContact CE1-CE2 3.79Å; F523-F570 HydrophobicContact CG-CE2 4.2Å; F523-F570 WeakPolarHBondContact O-CZ 3.29Å; L526-F570 HydrophobicContact CB-CE2 4.04Å; L526-F570 HydrophobicContact CB-CZ 4.14Å; L526-F570 HydrophobicContact CD2-CD2 3.53Å; L526-F570 HydrophobicContact CD2-CE2 3.49Å; L526-F570 VanDerWaalsContact CD2-CE2 3.49Å; L526-F570 HydrophobicContact CD2-CG 4.29Å; L526-F570 HydrophobicContact CD2-CZ 4.24Å; L526-F570 HydrophobicContact CG-CD2 4.25Å; L526-F570 HydrophobicContact CG-CE2 3.9Å; L526-F570 HydrophobicContact CG-CZ 4.15Å; L530-F570 HydrophobicContact CD1-CD1 3.63Å; L530-F570 HydrophobicContact CD1-CE1 3.76Å; L530-F570 HydrophobicContact CD1-CG 4.49Å; F566-F570 WeakPolarHBondContact O-CB 3.33Å; F566-F570 PolarHBondContact O-N 3.33Å; V567-F570 PolarHBondContact O-N 3.32Å; G568-F570 PolarHBondContact O-N 2.85Å; F570-L573 PolarHBondContact O-N 2.85Å; F570-A574 PolarHBondContact O-N 3.46Å; F570-I581 HydrophobicContact CE1-CG2 4.08Å; F570-I581 HydrophobicContact CZ-CG2 3.95Å
571I95.7Very high95.1Very high3 Ų318.1 Ų18.12%0.0158%0.084CC..Hα-helixtrans-66.7-41.3178.4-61.4-63.2000110.8V567 G568 A574 L575 I581 F585 F683 F687 L708V567-I571 HydrophobicContact CG1-CG1 4.17Å; V567-I571 VanDerWaalsContact O-CG1 3.29Å; V567-I571 WeakPolarHBondContact O-CG1 3.42Å; V567-I571 PolarHBondContact O-N 3.21Å; G568-I571 PolarHBondContact O-N 2.83Å; I571-A574 WeakPolarHBondContact O-CB 3.27Å; I571-A574 PolarHBondContact O-N 2.92Å; I571-L575 PolarHBondContact O-N 3.43Å; I571-L575 VanDerWaalsContact O-N 3.12Å; I571-I581 HydrophobicContact CD1-CD1 3.56Å; I571-F585 HydrophobicContact CD1-CE2 3.81Å; I571-F585 HydrophobicContact CD1-CZ 4.05Å; I571-F585 HydrophobicContact CG1-CE2 3.9Å; I571-F585 HydrophobicContact CG1-CZ 4.09Å; I571-F683 HydrophobicContact CB-CE2 4.37Å; I571-F683 HydrophobicContact CB-CZ 4.36Å; I571-F683 HydrophobicContact CG1-CE2 4.01Å; I571-F683 HydrophobicContact CG1-CZ 4.37Å; I571-F683 HydrophobicContact CG2-CZ 4.46Å; I571-F687 HydrophobicContact CG2-CD2 4.43Å; I571-F687 HydrophobicContact CG2-CE2 4.01Å; I571-L708 HydrophobicContact CD1-CD2 4.42Å; I571-L708 HydrophobicContact CG2-CD1 3.94Å; I571-L708 HydrophobicContact CG2-CD2 3.76Å
572A96.5Very high94.4Very high0 Ų015.2 Ų15.20%07%0.069CC..Hα-helixtrans-65.8-39.8175.300000112G568 R569 A574 L575 Y576 F687 V690 F691G568-A572 WeakPolarHBondContact O-CB 3.13Å; G568-A572 PolarHBondContact O-N 3.36Å; R569-A572 PolarHBondContact O-N 2.95Å; A572-A574 VanDerWaalsContact C-N 3.27Å; A572-A574 PolarHBondContact O-N 3.49Å; A572-L575 PolarHBondContact O-N 2.81Å; A572-Y576 WeakPolarHBondContact O-CB 3.21Å; A572-Y576 PolarHBondContact O-N 2.82Å; A572-F687 HydrophobicContact CB-CB 4.46Å; A572-F687 HydrophobicContact CB-CD1 4.08Å; A572-F687 HydrophobicContact CB-CD2 3.76Å; A572-F687 HydrophobicContact CB-CE1 4.21Å; A572-F687 HydrophobicContact CB-CE2 3.9Å; A572-F687 HydrophobicContact CB-CG 3.85Å; A572-F687 HydrophobicContact CB-CZ 4.12Å; A572-V690 HydrophobicContact CB-CB 3.63Å; A572-V690 HydrophobicContact CB-CG1 4.23Å; A572-V690 HydrophobicContact CB-CG2 3.72Å; A572-F691 HydrophobicContact CB-CD1 4.28Å; A572-F691 HydrophobicContact CB-CE1 3.89Å; A572-F691 WeakPolarHBondContact O-CE1 3.45Å
573L96.2Very high93.6Very high2 Ų210.6 Ų10.61%0.015%0.047CC..Hα-helixtrans-59.9-37.5172.1-77.3169.9000112.1I491 L499 F523 R569 F570 H577 V690I491-L573 HydrophobicContact CD1-CD1 4.04Å; I491-L573 HydrophobicContact CG2-CD1 4.2Å; L499-L573 HydrophobicContact CB-CD2 4.18Å; L499-L573 HydrophobicContact CD2-CD1 4.23Å; L499-L573 WeakPolarHBondContact O-CD2 3.19Å; F523-L573 HydrophobicContact CE1-CB 4.14Å; F523-L573 HydrophobicContact CZ-CB 4.03Å; R569-L573 WeakPolarHBondContact O-CB 3.41Å; R569-L573 WeakPolarHBondContact O-CG 3.41Å; R569-L573 PolarHBondContact O-N 2.59Å; F570-L573 PolarHBondContact O-N 2.85Å; L573-H577 WeakPolarHBondContact O-CB 3.47Å; L573-H577 PolarHBondContact O-CD2 2.83Å; L573-H577 PolarHBondContact O-N 3.32Å; L573-V690 HydrophobicContact CD2-CG1 4.36Å; L573-V690 HydrophobicContact CG-CG2 4.23Å
574A95.1Very high92.8Very high0 Ų09.8 Ų9.80%04%0.044CC..Hα-helixtrans-61.9-49.9177.100000110.6F523 F570 I571 A572 S578 R579 I581 L708F523-A574 HydrophobicContact CD1-CB 3.63Å; F523-A574 HydrophobicContact CE1-CB 3.53Å; F523-A574 VanDerWaalsContact CE1-N 3.35Å; F523-A574 HydrophobicContact CZ-CB 4.45Å; F570-A574 PolarHBondContact O-N 3.46Å; I571-A574 WeakPolarHBondContact O-CB 3.27Å; I571-A574 PolarHBondContact O-N 2.92Å; A572-A574 VanDerWaalsContact C-N 3.27Å; A572-A574 PolarHBondContact O-N 3.49Å; A574-S578 PolarHBondContact O-N 3.3Å; A574-R579 CarbonylContact C-O 3.59Å; A574-R579 PolarHBondContact O-N 3.02Å; A574-I581 HydrophobicContact CB-CG2 4.12Å; A574-L708 HydrophobicContact CB-CD1 3.99Å
575L94.3Very high92.3Very high4 Ų410.2 Ų10.22%0.0215%0.046CC..Hα-helixtrans-63-47.1176.5-67.9169.4000112.1F461 I571 A572 H577 S578 F687 F691 L696 L704 L707 L708F461-L575 HydrophobicContact CE1-CB 4.14Å; F461-L575 HydrophobicContact CZ-CB 4Å; I571-L575 PolarHBondContact O-N 3.43Å; I571-L575 VanDerWaalsContact O-N 3.12Å; A572-L575 PolarHBondContact O-N 2.81Å; L575-H577 VanDerWaalsContact C-N 3.32Å; L575-H577 PolarHBondContact O-N 3.16Å; L575-S578 PolarHBondContact O-N 2.88Å; L575-S578 VanDerWaalsContact O-N 3.17Å; L575-F687 HydrophobicContact CD1-CE2 3.86Å; L575-F687 HydrophobicContact CD1-CZ 3.61Å; L575-F691 HydrophobicContact CB-CE1 4.11Å; L575-F691 HydrophobicContact CB-CZ 4Å; L575-F691 HydrophobicContact CD1-CZ 4.11Å; L575-L696 HydrophobicContact CD1-CD1 4.24Å; L575-L704 HydrophobicContact CD1-CD1 4.17Å; L575-L704 HydrophobicContact CD2-CD1 4.4Å; L575-L707 HydrophobicContact CD2-CB 4.32Å; L575-L707 HydrophobicContact CD2-CD2 3.8Å; L575-L707 HydrophobicContact CD2-CG 3.63Å; L575-L708 HydrophobicContact CD2-CB 4.12Å; L575-L708 HydrophobicContact CD2-CD1 4.08Å; L575-L708 HydrophobicContact CG-CD1 4.04Å
576Y94Very high91.7Very high8 Ų86.8 Ų6.83%0.0314%0.035CC..Hα-helixtrans-63.7-35.2-174.9-169-93.3000113.2C465 N468 L469 R500 A572 V690 F691 W695C465-Y576 HydrophobicContact CB-CD2 3.88Å; C465-Y576 HydrophobicContact CB-CE2 3.91Å; C465-Y576 HydrophobicContact CB-CG 4.3Å; C465-Y576 PolarHBondContact O-OH 2.84Å; N468-Y576 PolarHBondContact O-OH 3.3Å; L469-Y576 WeakPolarHBondContact CA-OH 3.14Å; L469-Y576 HydrophobicContact CD1-CE1 4.08Å; L469-Y576 PolarHBondContact N-OH 3.08Å; R500-Y576 HydrophobicContact CB-CE1 4.07Å; R500-Y576 HydrophobicContact CG-CE1 4.27Å; R500-Y576 HydrophobicContact CG-CE2 4.2Å; A572-Y576 WeakPolarHBondContact O-CB 3.21Å; A572-Y576 PolarHBondContact O-N 2.82Å; Y576-V690 HydrophobicContact CD2-CG1 4.37Å; Y576-V690 HydrophobicContact CG-CG1 4.2Å; Y576-F691 HydrophobicContact CD2-CB 4.44Å; Y576-F691 AromaticContact CD2-CD1 3.72Å; Y576-F691 HydrophobicContact CD2-CD1 3.72Å; Y576-F691 HydrophobicContact CD2-CE1 4.43Å; Y576-F691 HydrophobicContact CD2-CG 4.39Å; Y576-F691 HydrophobicContact CG-CD1 4.35Å; Y576-W695 HydrophobicContact CD2-CZ3 4.42Å; Y576-W695 HydrophobicContact CE2-CZ3 4.05Å
577H90.8Very high91.2Very high28 Ų287.7 Ų7.713%0.134%0.04CC..THydrogen-bonded Turntrans-9912.5178.1-64.3-55.9000113.8C501 L573 L575 R579C501-H577 PolarHBondContact O-CE1 2.75Å; C501-H577 PolarHBondContact O-NE2 2.98Å; L573-H577 WeakPolarHBondContact O-CB 3.47Å; L573-H577 PolarHBondContact O-CD2 2.83Å; L573-H577 PolarHBondContact O-N 3.32Å; L575-H577 VanDerWaalsContact C-N 3.32Å; L575-H577 PolarHBondContact O-N 3.16Å; H577-R579 VanDerWaalsContact C-N 3.33Å; H577-R579 HydrophobicContact CB-CG 4.02Å; H577-R579 PolarHBondContact O-N 2.96Å; H577-R579 PolarHBondContact O-NH1 3.11Å
578S90.8Very high90.9Very high29 Ų297.8 Ų7.820%0.2034%0.04CC..THydrogen-bonded Turntrans52.949-179.4-51.10000112.5H462 A574 L575H462-S578 PolarHBondContact CD2-OG 2.96Å; H462-S578 PolarHBondContact NE2-OG 3.37Å; A574-S578 PolarHBondContact O-N 3.3Å; L575-S578 PolarHBondContact O-N 2.88Å; L575-S578 VanDerWaalsContact O-N 3.17Å
579R91.5Very high90.6Very high21 Ų218.8 Ų8.88%0.0794%0.044CC..  trans-111.2140.1178.8-58.8-67.8-173.9-112.46.2110.7Y341 E350 S519 F523 A574 H577Y341-R579 WeakPolarHBondContact OH-CA 3.12Å; Y341-R579 WeakPolarHBondContact OH-CD 3.17Å; E350-R579 IonicContact OE1-CZ 3.25Å; E350-R579 IonicContact OE1-NH1 3.24Å; E350-R579 PolarHBondContact OE1-NH1 3.05Å; E350-R579 IonicContact OE1-NH2 3.33Å; E350-R579 PolarHBondContact OE1-NH2 3.04Å; E350-R579 IonicContact OE2-CZ 2.88Å; E350-R579 IonicContact OE2-NH1 2.67Å; E350-R579 PolarHBondContact OE2-NH1 3.23Å; E350-R579 IonicContact OE2-NH2 2.82Å; S519-R579 PolarHBondContact OG-NE 2.86Å; F523-R579 HydrophobicContact CB-CB 4.3Å; F523-R579 HydrophobicContact CD1-CB 4.23Å; F523-R579 HydrophobicContact CD2-CB 3.46Å; F523-R579 VanDerWaalsContact CD2-CB 3.46Å; F523-R579 HydrophobicContact CD2-CG 3.51Å; F523-R579 HydrophobicContact CE1-CB 4.46Å; F523-R579 HydrophobicContact CE2-CB 3.76Å; F523-R579 HydrophobicContact CE2-CG 3.47Å; F523-R579 VanDerWaalsContact CE2-CG 3.47Å; F523-R579 HydrophobicContact CG-CB 3.74Å; F523-R579 HydrophobicContact CG-CG 4.3Å; F523-R579 HydrophobicContact CZ-CB 4.22Å; F523-R579 HydrophobicContact CZ-CG 4.19Å; A574-R579 CarbonylContact C-O 3.59Å; A574-R579 PolarHBondContact O-N 3.02Å; H577-R579 VanDerWaalsContact C-N 3.33Å; H577-R579 HydrophobicContact CB-CG 4.02Å; H577-R579 PolarHBondContact O-N 2.96Å; H577-R579 PolarHBondContact O-NH1 3.11Å
580F91.9Very high90.4Very high1 Ų18.4 Ų8.40%0.0044%0.043CC..  trans-94151.1177.9-55.6-48.4000112.7R340 Y341 A344 N347 F524 L708 G710R340-F580 HydrophobicContact CB-CD2 3.94Å; R340-F580 HydrophobicContact CB-CE2 4.27Å; Y341-F580 AromaticContact CD1-CD2 3.95Å; Y341-F580 HydrophobicContact CD1-CD2 3.95Å; Y341-F580 AromaticContact CD1-CE2 3.76Å; Y341-F580 HydrophobicContact CD1-CE2 3.76Å; Y341-F580 HydrophobicContact CD2-CD2 4.15Å; Y341-F580 AromaticContact CE1-CD2 3.73Å; Y341-F580 HydrophobicContact CE1-CD2 3.73Å; Y341-F580 AromaticContact CE1-CE2 3.88Å; Y341-F580 HydrophobicContact CE1-CE2 3.88Å; Y341-F580 AromaticContact CE2-CD2 3.92Å; Y341-F580 HydrophobicContact CE2-CD2 3.92Å; Y341-F580 HydrophobicContact CG-CD2 4.13Å; Y341-F580 HydrophobicContact CG-CE2 4.12Å; Y341-F580 AromaticContact CZ-CD2 3.69Å; Y341-F580 PolarHBondContact OH-N 2.82Å; A344-F580 HydrophobicContact CB-CE2 3.69Å; A344-F580 HydrophobicContact CB-CZ 3.46Å; A344-F580 VanDerWaalsContact CB-CZ 3.46Å; N347-F580 WeakPolarHBondContact ND2-CZ 3.27Å; F524-F580 VanDerWaalsContact CD2-O 3.3Å; F524-F580 WeakPolarHBondContact CD2-O 3.4Å; F524-F580 HydrophobicContact CE2-CB 3.87Å; F524-F580 WeakPolarHBondContact CE2-O 3.37Å; F524-F580 HydrophobicContact CZ-CB 4.32Å; F580-L708 WeakPolarHBondContact CA-O 3.46Å; F580-G710 VanDerWaalsContact CD1-CA 3.49Å; F580-G710 VanDerWaalsContact CE1-CA 3.47Å
581I90.9Very high90.1Very high1 Ų19 Ų91%0.0055%0.046CC..  trans-114.1154.8171.166.2178000110.7R340 F570 I571 A574 N583 L708R340-I581 PolarHBondContact NH1-O 3.25Å; F570-I581 HydrophobicContact CE1-CG2 4.08Å; F570-I581 HydrophobicContact CZ-CG2 3.95Å; I571-I581 HydrophobicContact CD1-CD1 3.56Å; A574-I581 HydrophobicContact CB-CG2 4.12Å; I581-N583 WeakPolarHBondContact CD1-O 3.09Å; I581-N583 WeakPolarHBondContact CG1-O 3.46Å; I581-L708 HydrophobicContact CD1-CD1 3.8Å; I581-L708 HydrophobicContact CD1-CD2 3.59Å; I581-L708 HydrophobicContact CD1-CG 3.49Å; I581-L708 VanDerWaalsContact CD1-CG 3.49Å; I581-L708 HydrophobicContact CG1-CD1 4.09Å; I581-L708 HydrophobicContact CG1-CD2 4.4Å; I581-L708 HydrophobicContact CG1-CG 3.78Å; I581-L708 PolarHBondContact N-O 3.09Å; I581-L708 VanDerWaalsContact N-O 3.11Å
582D83.1Confident89.9Confident7 Ų712.7 Ų12.74%0.0376%0.059CC..SBendtrans-82.5-28-178.9-15725000112.5R336 R340 F524 S527R336-D582 IonicContact CZ-OD1 3.96Å; R336-D582 IonicContact CZ-OD2 3.81Å; R336-D582 VanDerWaalsContact NH1-CG 3.35Å; R336-D582 IonicContact NH1-OD1 2.86Å; R336-D582 PolarHBondContact NH1-OD1 3.4Å; R336-D582 IonicContact NH1-OD2 3.73Å; R336-D582 PolarHBondContact NH1-OD2 3.05Å; R336-D582 IonicContact NH2-OD2 3.49Å; R336-D582 PolarHBondContact NH2-OD2 3.09Å; R340-D582 IonicContact CZ-OD1 2.78Å; R340-D582 IonicContact NH1-OD1 3.5Å; R340-D582 IonicContact NH2-OD1 3.51Å; R340-D582 PolarHBondContact NH2-OD1 2.94Å; F524-D582 HydrophobicContact CD1-CB 3.68Å; F524-D582 HydrophobicContact CE1-CB 3.94Å; S527-D582 PolarHBondContact OG-N 3.15Å
583N79Confident89.6Confident6 Ų613 Ų133%0.0326%0.061CC..  trans-113.8119.9-176.4-60.9-64.9000111.3R329 S527 T528 L531 L548 I581R329-N583 PolarHBondContact NH1-OD1 2.96Å; S527-N583 PolarHBondContact O-ND2 2.98Å; T528-N583 WeakPolarHBondContact CA-ND2 3.22Å; T528-N583 PolarHBondContact OG1-ND2 3.27Å; L531-N583 HydrophobicContact CD1-CB 3.86Å; L531-N583 WeakPolarHBondContact CD1-ND2 3.36Å; L548-N583 HydrophobicContact CD1-CB 3.97Å; I581-N583 WeakPolarHBondContact CD1-O 3.09Å; I581-N583 WeakPolarHBondContact CG1-O 3.46Å
584G79.1Confident89.3Confident0 Ų014.4 Ų14.40%07%0.068CC..PPolyproline II helixtrans-98.5162.6172.600000112.2Y590 R762G584-Y590 WeakPolarHBondContact CA-OH 3.35Å; G584-R762 VanDerWaalsContact N-NH1 3.2Å
585F87Confident88.9Confident10 Ų1020.7 Ų20.74%0.04410%0.102CC..BIsolated β-bridgetrans-82.1171.3171.7-54.1-74.9000111.6F538 L548 V567 I571 F589 Y590 F683F538-F585 HydrophobicContact CE1-CD1 4.45Å; F538-F585 AromaticContact CE1-CE1 3.79Å; F538-F585 HydrophobicContact CE1-CE1 3.79Å; F538-F585 HydrophobicContact CZ-CE1 4.03Å; L548-F585 HydrophobicContact CB-CD1 4.32Å; V567-F585 HydrophobicContact CG1-CZ 4.33Å; I571-F585 HydrophobicContact CD1-CE2 3.81Å; I571-F585 HydrophobicContact CD1-CZ 4.05Å; I571-F585 HydrophobicContact CG1-CE2 3.9Å; I571-F585 HydrophobicContact CG1-CZ 4.09Å; F585-F589 HydrophobicContact CB-CB 3.82Å; F585-F589 HydrophobicContact CB-CD1 3.36Å; F585-F589 HydrophobicContact CB-CE1 4.13Å; F585-F589 HydrophobicContact CB-CG 3.78Å; F585-F589 HydrophobicContact CD1-CD1 4.01Å; F585-F589 AromaticContact CD1-CE1 3.99Å; F585-F589 HydrophobicContact CD1-CE1 3.99Å; F585-F589 HydrophobicContact CD1-CG 4.48Å; F585-F589 HydrophobicContact CD1-CZ 4.46Å; F585-F589 AromaticContact CD2-CD1 3.65Å; F585-F589 HydrophobicContact CD2-CD1 3.65Å; F585-F589 AromaticContact CD2-CE1 3.59Å; F585-F589 HydrophobicContact CD2-CE1 3.59Å; F585-F589 HydrophobicContact CE1-CE1 4.31Å; F585-F589 HydrophobicContact CE2-CD1 4.45Å; F585-F589 AromaticContact CE2-CE1 3.93Å; F585-F589 HydrophobicContact CE2-CE1 3.93Å; F585-F589 AromaticContact CG-CD1 3.38Å; F585-F589 HydrophobicContact CG-CD1 3.38Å; F585-F589 AromaticContact CG-CE1 3.61Å; F585-F589 HydrophobicContact CG-CE1 3.61Å; F585-F589 HydrophobicContact CG-CG 4.1Å; F585-F589 HydrophobicContact CZ-CE1 4.28Å; F585-Y590 HydrophobicContact CB-CE1 4.34Å; F585-Y590 HydrophobicContact CB-CE2 4.27Å; F585-Y590 AromaticContact CD2-CE1 3.89Å; F585-Y590 HydrophobicContact CD2-CE1 3.89Å; F585-Y590 PolarHBondContact N-OH 3.47Å; F585-Y590 VanDerWaalsContact O-CE2 3.31Å; F585-Y590 WeakPolarHBondContact O-CE2 3.45Å; F585-F683 HydrophobicContact CE2-CE2 4.44Å; F585-F683 HydrophobicContact CE2-CZ 4.48Å; F585-F683 HydrophobicContact CZ-CE2 4.27Å
586T85.9Confident88.7Confident13 Ų1322.7 Ų22.78%0.0811%0.11CC..PPolyproline II helixtrans-64.1150.8171.2630000110.7A541 A547 L548 P588 F589 Y590 V606A541-T586 HydrophobicContact CB-CG2 4.04Å; A547-T586 HydrophobicContact CB-CG2 3.54Å; L548-T586 VanDerWaalsContact O-CG2 3.28Å; L548-T586 WeakPolarHBondContact O-CG2 3.48Å; L548-T586 PolarHBondContact O-N 2.83Å; T586-P588 VanDerWaalsContact C-CD 3.46Å; T586-P588 VanDerWaalsContact C-N 3.35Å; T586-F589 VanDerWaalsContact O-CB 3.29Å; T586-F589 WeakPolarHBondContact O-CB 3.34Å; T586-F589 PolarHBondContact O-N 2.78Å; T586-F589 PolarHBondContact OG1-N 3.04Å; T586-Y590 PolarHBondContact O-N 3.35Å; T586-V606 HydrophobicContact CG2-CG1 4.05Å
587L86.7Confident88.3Confident19 Ų1929.1 Ų29.110%0.09915%0.145CC..Hα-helixtrans-54.4-41.3174.1-63.8177.7000113.9F589 Y590 K591 E701 R702 G759L587-F589 PolarHBondContact O-N 2.96Å; L587-Y590 HydrophobicContact CD2-CD2 4.39Å; L587-Y590 PolarHBondContact O-N 2.9Å; L587-Y590 VanDerWaalsContact O-N 3.1Å; L587-K591 PolarHBondContact O-N 3.27Å; L587-E701 HydrophobicContact CB-CG 4.36Å; L587-E701 HydrophobicContact CD2-CG 4.35Å; L587-R702 HydrophobicContact CD1-CG 4.44Å; L587-R702 HydrophobicContact CD2-CG 4.25Å; L587-G759 WeakPolarHBondContact CD1-O 3.48Å; L587-G759 WeakPolarHBondContact CG-O 3.42Å
588P89.4Confident88.3Confident1 Ų128.5 Ų28.51%0.00614%0.143CC..Hα-helixtrans-55.6-34.4172.7-22.528000113.9T586 K591 R592 I598 D602 V606 F672T586-P588 VanDerWaalsContact C-CD 3.46Å; T586-P588 VanDerWaalsContact C-N 3.35Å; P588-K591 PolarHBondContact O-N 3.24Å; P588-R592 PolarHBondContact O-N 3.48Å; P588-I598 HydrophobicContact CB-CG2 4.47Å; P588-D602 HydrophobicContact CB-CB 4.35Å; P588-D602 HydrophobicContact CG-CB 3.88Å; P588-V606 HydrophobicContact CG-CG1 4.5Å; P588-F672 HydrophobicContact CB-CD1 3.97Å; P588-F672 HydrophobicContact CB-CE1 3.35Å; P588-F672 HydrophobicContact CB-CZ 3.67Å; P588-F672 HydrophobicContact CG-CE1 3.71Å; P588-F672 HydrophobicContact CG-CZ 3.72Å
589F90.7Very high88.3Confident22 Ų2229.7 Ų29.710%0.09615%0.149CC..Hα-helixtrans-66.7-42.8176.1-175.1-94.7000111.7I550 F585 T586 L587 R592 M593 F683I550-F589 HydrophobicContact CD1-CE2 3.87Å; I550-F589 HydrophobicContact CG1-CE2 4.29Å; F585-F589 HydrophobicContact CB-CB 3.82Å; F585-F589 HydrophobicContact CB-CD1 3.36Å; F585-F589 HydrophobicContact CB-CE1 4.13Å; F585-F589 HydrophobicContact CB-CG 3.78Å; F585-F589 HydrophobicContact CD1-CD1 4.01Å; F585-F589 AromaticContact CD1-CE1 3.99Å; F585-F589 HydrophobicContact CD1-CE1 3.99Å; F585-F589 HydrophobicContact CD1-CG 4.48Å; F585-F589 HydrophobicContact CD1-CZ 4.46Å; F585-F589 AromaticContact CD2-CD1 3.65Å; F585-F589 HydrophobicContact CD2-CD1 3.65Å; F585-F589 AromaticContact CD2-CE1 3.59Å; F585-F589 HydrophobicContact CD2-CE1 3.59Å; F585-F589 HydrophobicContact CE1-CE1 4.31Å; F585-F589 HydrophobicContact CE2-CD1 4.45Å; F585-F589 AromaticContact CE2-CE1 3.93Å; F585-F589 HydrophobicContact CE2-CE1 3.93Å; F585-F589 AromaticContact CG-CD1 3.38Å; F585-F589 HydrophobicContact CG-CD1 3.38Å; F585-F589 AromaticContact CG-CE1 3.61Å; F585-F589 HydrophobicContact CG-CE1 3.61Å; F585-F589 HydrophobicContact CG-CG 4.1Å; F585-F589 HydrophobicContact CZ-CE1 4.28Å; T586-F589 VanDerWaalsContact O-CB 3.29Å; T586-F589 WeakPolarHBondContact O-CB 3.34Å; T586-F589 PolarHBondContact O-N 2.78Å; T586-F589 PolarHBondContact OG1-N 3.04Å; L587-F589 PolarHBondContact O-N 2.96Å; F589-R592 WeakPolarHBondContact O-CB 3.25Å; F589-R592 PolarHBondContact O-N 3.43Å; F589-M593 HydrophobicContact CD1-CG 4.33Å; F589-M593 HydrophobicContact CD1-SD 3.91Å; F589-M593 HydrophobicContact CE1-CG 4.09Å; F589-M593 HydrophobicContact CE1-SD 3.58Å; F589-M593 VanDerWaalsContact CE1-SD 3.58Å; F589-M593 WeakPolarHBondContact O-CG 3.44Å; F589-M593 PolarHBondContact O-N 3.22Å; F589-F683 HydrophobicContact CE1-CD1 4.43Å; F589-F683 AromaticContact CE1-CE1 3.84Å; F589-F683 HydrophobicContact CE1-CE1 3.84Å; F589-F683 HydrophobicContact CE1-CE2 4.3Å; F589-F683 AromaticContact CE1-CZ 3.76Å; F589-F683 HydrophobicContact CE1-CZ 3.76Å; F589-F683 AromaticContact CZ-CD1 3.82Å; F589-F683 HydrophobicContact CZ-CD1 3.82Å; F589-F683 HydrophobicContact CZ-CD2 4.24Å; F589-F683 AromaticContact CZ-CE1 3.7Å; F589-F683 HydrophobicContact CZ-CE1 3.7Å; F589-F683 HydrophobicContact CZ-CE2 4.1Å; F589-F683 HydrophobicContact CZ-CG 4.11Å; F589-F683 AromaticContact CZ-CZ 3.84Å; F589-F683 HydrophobicContact CZ-CZ 3.84Å
590Y91.9Very high88.3Confident0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-66.4-37.9174.1-64.2-57000112.3G584 F585 T586 L587 R592 M593 L594 L704 E705 L708G584-Y590 WeakPolarHBondContact CA-OH 3.35Å; F585-Y590 HydrophobicContact CB-CE1 4.34Å; F585-Y590 HydrophobicContact CB-CE2 4.27Å; F585-Y590 AromaticContact CD2-CE1 3.89Å; F585-Y590 HydrophobicContact CD2-CE1 3.89Å; F585-Y590 PolarHBondContact N-OH 3.47Å; F585-Y590 VanDerWaalsContact O-CE2 3.31Å; F585-Y590 WeakPolarHBondContact O-CE2 3.45Å; T586-Y590 PolarHBondContact O-N 3.35Å; L587-Y590 HydrophobicContact CD2-CD2 4.39Å; L587-Y590 PolarHBondContact O-N 2.9Å; L587-Y590 VanDerWaalsContact O-N 3.1Å; Y590-R592 VanDerWaalsContact C-N 3.27Å; Y590-R592 PolarHBondContact O-N 3.49Å; Y590-M593 HydrophobicContact CD1-SD 3.99Å; Y590-M593 WeakPolarHBondContact O-CB 3.25Å; Y590-M593 PolarHBondContact O-N 2.96Å; Y590-L594 WeakPolarHBondContact O-CB 3.21Å; Y590-L594 WeakPolarHBondContact O-CG 3.32Å; Y590-L594 PolarHBondContact O-N 3.34Å; Y590-L704 HydrophobicContact CD1-CD2 3.74Å; Y590-L704 HydrophobicContact CD1-CG 3.93Å; Y590-L704 HydrophobicContact CE1-CG 4.44Å; Y590-L704 HydrophobicContact CG-CD2 4.3Å; Y590-L704 HydrophobicContact CG-CG 4.5Å; Y590-E705 HydrophobicContact CD2-CB 4.09Å; Y590-E705 HydrophobicContact CE2-CB 3.65Å; Y590-E705 HydrophobicContact CE2-CG 3.78Å; Y590-L708 HydrophobicContact CE1-CD2 3.92Å
591K92Very high88.1Confident14 Ų1431.7 Ų31.76%0.06117%0.167CC..Hα-helixtrans-56.5-44.6170.7-76.2-174.8172.8176.20111.2L587 P588 M593 L594 N595 K596 I598 D602 E701L587-K591 PolarHBondContact O-N 3.27Å; P588-K591 PolarHBondContact O-N 3.24Å; K591-M593 PolarHBondContact O-N 3.02Å; K591-L594 CarbonylContact O-C 3.47Å; K591-L594 PolarHBondContact O-N 3.34Å; K591-N595 PolarHBondContact O-N 2.89Å; K591-N595 VanDerWaalsContact O-N 3.07Å; K591-K596 HydrophobicContact CB-CB 4.08Å; K591-K596 HydrophobicContact CG-CB 4.26Å; K591-K596 HydrophobicContact CG-CD 4.49Å; K591-K596 PolarHBondContact O-N 2.96Å; K591-I598 HydrophobicContact CB-CG1 4.43Å; K591-D602 IonicContact NZ-OD1 3.68Å; K591-D602 PolarHBondContact NZ-OD1 3.01Å; K591-D602 IonicContact NZ-OD2 2.84Å; K591-D602 PolarHBondContact NZ-OD2 3.47Å; K591-E701 HydrophobicContact CD-CG 4.46Å; K591-E701 VanDerWaalsContact CE-CD 3.41Å; K591-E701 WeakPolarHBondContact CE-OE1 3.14Å; K591-E701 HydrophobicContact CG-CB 3.81Å; K591-E701 HydrophobicContact CG-CG 3.75Å; K591-E701 IonicContact NZ-OE1 3.12Å
592R90.5Very high88Confident80 Ų8032.2 Ų32.230%0.30217%0.17SC..Hα-helixtrans-60.8-42.3176.3-172.863.1174.8116.51.3112.3P588 F589 Y590 L594 N595 I598 T680P588-R592 PolarHBondContact O-N 3.48Å; F589-R592 WeakPolarHBondContact O-CB 3.25Å; F589-R592 PolarHBondContact O-N 3.43Å; Y590-R592 VanDerWaalsContact C-N 3.27Å; Y590-R592 PolarHBondContact O-N 3.49Å; R592-L594 VanDerWaalsContact C-N 3.34Å; R592-N595 PolarHBondContact O-N 3.02Å; R592-I598 HydrophobicContact CB-CD1 4.44Å; R592-T680 HydrophobicContact CG-CG2 4.11Å
593M91Very high88.2Confident8 Ų831.9 Ų31.94%0.03917%0.168CC..Hα-helixtrans-62.3-40.2175.3-69.5177.161.500112.6F589 Y590 K591 N595 F683 L684 F687 L704F589-M593 HydrophobicContact CD1-CG 4.33Å; F589-M593 HydrophobicContact CD1-SD 3.91Å; F589-M593 HydrophobicContact CE1-CG 4.09Å; F589-M593 HydrophobicContact CE1-SD 3.58Å; F589-M593 VanDerWaalsContact CE1-SD 3.58Å; F589-M593 WeakPolarHBondContact O-CG 3.44Å; F589-M593 PolarHBondContact O-N 3.22Å; Y590-M593 HydrophobicContact CD1-SD 3.99Å; Y590-M593 WeakPolarHBondContact O-CB 3.25Å; Y590-M593 PolarHBondContact O-N 2.96Å; K591-M593 PolarHBondContact O-N 3.02Å; M593-N595 PolarHBondContact O-N 3.42Å; M593-F683 HydrophobicContact CE-CE1 3.9Å; M593-F683 HydrophobicContact CE-CZ 4.09Å; M593-F683 HydrophobicContact CG-CE1 3.94Å; M593-F683 HydrophobicContact SD-CE1 3.7Å; M593-F683 HydrophobicContact SD-CZ 3.93Å; M593-L684 HydrophobicContact CB-CD2 4.47Å; M593-L684 HydrophobicContact CG-CD2 4.11Å; M593-F687 HydrophobicContact CE-CD2 3.77Å; M593-F687 HydrophobicContact CE-CE2 3.41Å; M593-F687 VanDerWaalsContact CE-CE2 3.41Å; M593-F687 HydrophobicContact CE-CZ 3.98Å; M593-L704 HydrophobicContact CE-CD2 4.38Å
594L90Very high88.5Confident30 Ų3032.3 Ų32.316%0.15717%0.17CC..THydrogen-bonded Turntrans-81.73.9179.3-64.5171.6000113.2Y590 K591 R592 K596 L696 F699 D700 E701 L704Y590-L594 WeakPolarHBondContact O-CB 3.21Å; Y590-L594 WeakPolarHBondContact O-CG 3.32Å; Y590-L594 PolarHBondContact O-N 3.34Å; K591-L594 CarbonylContact O-C 3.47Å; K591-L594 PolarHBondContact O-N 3.34Å; R592-L594 VanDerWaalsContact C-N 3.34Å; L594-K596 HydrophobicContact CB-CD 4.29Å; L594-K596 HydrophobicContact CB-CG 4Å; L594-K596 HydrophobicContact CD1-CD 4.45Å; L594-K596 PolarHBondContact O-N 3.25Å; L594-L696 HydrophobicContact CD2-CB 3.79Å; L594-F699 WeakPolarHBondContact CD1-O 3.46Å; L594-D700 VanDerWaalsContact CD1-C 3.47Å; L594-E701 HydrophobicContact CD1-CB 4.39Å; L594-L704 HydrophobicContact CD1-CB 4.42Å; L594-L704 HydrophobicContact CD1-CD2 4.13Å; L594-L704 HydrophobicContact CD2-CD2 4.06Å; L594-L704 HydrophobicContact CG-CD2 3.96Å
595N87.4Confident88.6Confident132 Ų13233.5 Ų33.571%0.70618%0.177SC*.THydrogen-bonded Turntrans53.536.8-175.1-163.149.6000113.3K591 R592 M593K591-N595 PolarHBondContact O-N 2.89Å; K591-N595 VanDerWaalsContact O-N 3.07Å; R592-N595 PolarHBondContact O-N 3.02Å; M593-N595 PolarHBondContact O-N 3.42Å
596K88.1Confident88.2Confident46 Ų4633.2 Ų33.220%0.218%0.176CC..PPolyproline II helixtrans-90.2153.5174.2-68.2-175.3169.7-155.20111.2K591 L594 I598 D700 E701 E824K591-K596 HydrophobicContact CB-CB 4.08Å; K591-K596 HydrophobicContact CG-CB 4.26Å; K591-K596 HydrophobicContact CG-CD 4.49Å; K591-K596 PolarHBondContact O-N 2.96Å; L594-K596 HydrophobicContact CB-CD 4.29Å; L594-K596 HydrophobicContact CB-CG 4Å; L594-K596 HydrophobicContact CD1-CD 4.45Å; L594-K596 PolarHBondContact O-N 3.25Å; K596-I598 PolarHBondContact O-N 3.44Å; K596-D700 VanDerWaalsContact NZ-CB 3.28Å; K596-E701 WeakPolarHBondContact CD-OE2 3.39Å; K596-E701 IonicContact NZ-OE2 3.23Å; K596-E701 PolarHBondContact NZ-OE2 3.35Å; K596-E824 WeakPolarHBondContact CD-OE1 3.44Å; K596-E824 WeakPolarHBondContact CE-OE1 3.39Å; K596-E824 IonicContact NZ-OE1 3.38Å; K596-E824 PolarHBondContact NZ-OE1 3.07Å
597N87.5Confident88Confident144 Ų14434.4 Ų34.477%0.7718%0.182SC*.PPolyproline II helixtrans-67132176.7-68.3-21.3000110.9
598I89.8Confident87.8Confident14 Ų1434.1 Ų34.17%0.07218%0.181CC..PPolyproline II helixtrans-89.9133.4171.8-54.5175.9000107.9P588 K591 R592 K596 D602 V668 F672P588-I598 HydrophobicContact CB-CG2 4.47Å; K591-I598 HydrophobicContact CB-CG1 4.43Å; R592-I598 HydrophobicContact CB-CD1 4.44Å; K596-I598 PolarHBondContact O-N 3.44Å; I598-D602 HydrophobicContact CG2-CB 3.61Å; I598-V668 HydrophobicContact CB-CG1 4.49Å; I598-V668 HydrophobicContact CG2-CG1 4.1Å; I598-F672 HydrophobicContact CB-CD2 4.45Å; I598-F672 HydrophobicContact CD1-CB 3.94Å; I598-F672 HydrophobicContact CD1-CD2 4.35Å; I598-F672 HydrophobicContact CD1-CG 4.06Å; I598-F672 HydrophobicContact CG2-CD2 3.41Å; I598-F672 VanDerWaalsContact CG2-CD2 3.41Å; I598-F672 HydrophobicContact CG2-CE2 3.38Å; I598-F672 HydrophobicContact CG2-CG 4.11Å; I598-F672 HydrophobicContact CG2-CZ 4.1Å
599T90.9Very high87.4Confident54 Ų5441.6 Ų41.633%0.33122%0.216SC..  trans-113.6170-169.967.50000111.9A601 D602T599-A601 PolarHBondContact O-N 3.38Å; T599-D602 WeakPolarHBondContact CB-OD2 3.32Å; T599-D602 PolarHBondContact N-OD2 2.99Å; T599-D602 VanDerWaalsContact O-CB 3.29Å; T599-D602 WeakPolarHBondContact O-CB 3.29Å; T599-D602 PolarHBondContact O-N 2.7Å; T599-D602 VanDerWaalsContact O-N 3.08Å; T599-D602 PolarHBondContact OG1-OD2 3.15Å
600L90.9Very high87.3Confident21 Ų2142 Ų4211%0.1122%0.217CC..Hα-helixtrans-58.3-36.3174.3179.459.2000112.6D602 I603 Y611 L614 Q618 I664 V668L600-D602 PolarHBondContact O-N 3.23Å; L600-I603 HydrophobicContact CD1-CD1 4.09Å; L600-I603 WeakPolarHBondContact O-CB 3.48Å; L600-I603 PolarHBondContact O-N 3.08Å; L600-I603 VanDerWaalsContact O-N 3.14Å; L600-Y611 HydrophobicContact CD1-CD2 3.87Å; L600-Y611 HydrophobicContact CD1-CE2 4.36Å; L600-Y611 HydrophobicContact CG-CD2 3.92Å; L600-Y611 HydrophobicContact CG-CE2 3.9Å; L600-Y611 VanDerWaalsContact O-CD2 3.28Å; L600-Y611 WeakPolarHBondContact O-CD2 3.19Å; L600-L614 HydrophobicContact CD1-CB 3.62Å; L600-L614 HydrophobicContact CD1-CD1 3.93Å; L600-L614 HydrophobicContact CD1-CG 4.45Å; L600-Q618 VanDerWaalsContact CD2-OE1 3.31Å; L600-I664 HydrophobicContact CD2-CG2 4.34Å; L600-V668 HydrophobicContact CB-CG2 4.34Å; L600-V668 HydrophobicContact CD1-CG2 4.4Å
601A87.5Confident87.2Confident43 Ų4343 Ų4336%0.35522%0.221SC..Hα-helixtrans-63.7-28.4177.400000112.8T599 I603 E604T599-A601 PolarHBondContact O-N 3.38Å; A601-I603 VanDerWaalsContact C-N 3.3Å; A601-I603 PolarHBondContact O-N 3.46Å; A601-E604 WeakPolarHBondContact O-CB 3.34Å; A601-E604 PolarHBondContact O-N 3.3Å
602D88.7Confident87Confident12 Ų1246.4 Ų46.46%0.06424%0.24CC..Hα-helixtrans-67.9-32177.1-67.3-55.6000111.5P588 K591 I598 T599 L600 E604 T605 F672P588-D602 HydrophobicContact CB-CB 4.35Å; P588-D602 HydrophobicContact CG-CB 3.88Å; K591-D602 IonicContact NZ-OD1 3.68Å; K591-D602 PolarHBondContact NZ-OD1 3.01Å; K591-D602 IonicContact NZ-OD2 2.84Å; K591-D602 PolarHBondContact NZ-OD2 3.47Å; I598-D602 HydrophobicContact CG2-CB 3.61Å; T599-D602 WeakPolarHBondContact CB-OD2 3.32Å; T599-D602 PolarHBondContact N-OD2 2.99Å; T599-D602 VanDerWaalsContact O-CB 3.29Å; T599-D602 WeakPolarHBondContact O-CB 3.29Å; T599-D602 PolarHBondContact O-N 2.7Å; T599-D602 VanDerWaalsContact O-N 3.08Å; T599-D602 PolarHBondContact OG1-OD2 3.15Å; L600-D602 PolarHBondContact O-N 3.23Å; D602-E604 VanDerWaalsContact C-N 3.33Å; D602-E604 PolarHBondContact O-N 3.37Å; D602-T605 PolarHBondContact O-N 3.08Å; D602-T605 PolarHBondContact O-OG1 3.34Å; D602-F672 HydrophobicContact CB-CE2 4.24Å; D602-F672 HydrophobicContact CB-CZ 4.21Å
603I88.3Confident87Confident0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-63-40.2173.7-61.8-177000110.9L600 A601 T605 V606 D607 Y610 L614 V668 F672L600-I603 HydrophobicContact CD1-CD1 4.09Å; L600-I603 WeakPolarHBondContact O-CB 3.48Å; L600-I603 PolarHBondContact O-N 3.08Å; L600-I603 VanDerWaalsContact O-N 3.14Å; A601-I603 VanDerWaalsContact C-N 3.3Å; A601-I603 PolarHBondContact O-N 3.46Å; I603-T605 PolarHBondContact O-N 3.49Å; I603-V606 WeakPolarHBondContact O-CG2 3.34Å; I603-V606 PolarHBondContact O-N 2.89Å; I603-D607 HydrophobicContact CG2-CB 4.25Å; I603-D607 CarbonylContact O-C 3.56Å; I603-D607 PolarHBondContact O-N 3.01Å; I603-Y610 HydrophobicContact CD1-CD1 3.92Å; I603-Y610 HydrophobicContact CD1-CE1 3.93Å; I603-Y610 HydrophobicContact CG2-CD1 3.75Å; I603-L614 HydrophobicContact CD1-CD1 3.61Å; I603-V668 HydrophobicContact CD1-CB 4.02Å; I603-V668 HydrophobicContact CD1-CG1 4.17Å; I603-V668 HydrophobicContact CD1-CG2 3.51Å; I603-V668 HydrophobicContact CG1-CG1 4.27Å; I603-V668 HydrophobicContact CG1-CG2 4.34Å; I603-F672 HydrophobicContact CG1-CD2 4.47Å; I603-F672 HydrophobicContact CG1-CE2 3.67Å; I603-F672 HydrophobicContact CG1-CZ 4.42Å
604E85.6Confident87Confident16 Ų1645.8 Ų45.88%0.07525%0.248CC..Hα-helixtrans-52.4-36.4-179.8-169.2176.8-174.700110.6A601 D602 V606 V608 Y611 H795 C797A601-E604 WeakPolarHBondContact O-CB 3.34Å; A601-E604 PolarHBondContact O-N 3.3Å; D602-E604 VanDerWaalsContact C-N 3.33Å; D602-E604 PolarHBondContact O-N 3.37Å; E604-V606 VanDerWaalsContact C-N 3.29Å; E604-V606 PolarHBondContact O-N 3.24Å; E604-V608 WeakPolarHBondContact O-CG2 3.26Å; E604-Y611 HydrophobicContact CB-CD1 4.03Å; E604-Y611 HydrophobicContact CB-CD2 3.71Å; E604-Y611 HydrophobicContact CB-CE1 4.26Å; E604-Y611 HydrophobicContact CB-CE2 3.92Å; E604-Y611 HydrophobicContact CB-CG 3.73Å; E604-Y611 HydrophobicContact CG-CD1 3.87Å; E604-Y611 HydrophobicContact CG-CD2 4.44Å; E604-Y611 HydrophobicContact CG-CE1 3.97Å; E604-Y611 HydrophobicContact CG-CE2 4.5Å; E604-Y611 HydrophobicContact CG-CG 4.1Å; E604-H795 IonicContact OE1-CE1 3.02Å; E604-H795 IonicContact OE1-CG 3.21Å; E604-H795 IonicContact OE1-ND1 2.77Å; E604-H795 PolarHBondContact OE1-ND1 3.3Å; E604-C797 PolarHBondContact O-SG 3.12Å
605T79.9Confident87.1Confident24 Ų2446.8 Ų46.815%0.14725%0.251CS..THydrogen-bonded Turntrans-69.9-18.4-178.5770000115.1D602 I603D602-T605 PolarHBondContact O-N 3.08Å; D602-T605 PolarHBondContact O-OG1 3.34Å; I603-T605 PolarHBondContact O-N 3.49Å
606V79.6Confident87.2Confident5 Ų545.2 Ų45.23%0.0324%0.238CC..THydrogen-bonded Turntrans-121.7-26.8-175.3-63.90000113.5A541 T586 P588 I603 E604 F672A541-V606 HydrophobicContact CB-CB 4.28Å; A541-V606 HydrophobicContact CB-CG1 4.07Å; T586-V606 HydrophobicContact CG2-CG1 4.05Å; P588-V606 HydrophobicContact CG-CG1 4.5Å; I603-V606 WeakPolarHBondContact O-CG2 3.34Å; I603-V606 PolarHBondContact O-N 2.89Å; E604-V606 VanDerWaalsContact C-N 3.29Å; E604-V606 PolarHBondContact O-N 3.24Å; V606-F672 HydrophobicContact CG1-CE1 4.17Å; V606-F672 HydrophobicContact CG2-CE1 3.78Å; V606-F672 HydrophobicContact CG2-CZ 3.6Å
607D81Confident87.3Confident37 Ų3743.8 Ų43.820%0.19823%0.233CC..  trans-156.482.6-169-161.1-29.4000111.1I603 E609 Y610 Y611 R671I603-D607 HydrophobicContact CG2-CB 4.25Å; I603-D607 CarbonylContact O-C 3.56Å; I603-D607 PolarHBondContact O-N 3.01Å; D607-E609 VanDerWaalsContact C-N 3.32Å; D607-E609 PolarHBondContact O-N 3.3Å; D607-Y610 PolarHBondContact O-N 2.88Å; D607-Y610 VanDerWaalsContact OD1-CB 3.27Å; D607-Y610 WeakPolarHBondContact OD1-CB 3.15Å; D607-Y610 PolarHBondContact OD1-N 2.72Å; D607-Y611 WeakPolarHBondContact O-CB 3.48Å; D607-Y611 PolarHBondContact O-N 2.82Å; D607-R671 IonicContact OD2-CZ 2.7Å; D607-R671 IonicContact OD2-NE 3.9Å; D607-R671 PolarHBondContact OD2-NE 3.43Å; D607-R671 IonicContact OD2-NH2 2.72Å; D607-R671 PolarHBondContact OD2-NH2 3.4Å
608V82.2Confident87.5Confident13 Ų1341.2 Ų41.28%0.07922%0.216CC..Hα-helixtrans-62.8-36.7-174.8178.60000112.3E604 Y611 N612 N774 C797 F798E604-V608 WeakPolarHBondContact O-CG2 3.26Å; V608-Y611 PolarHBondContact O-N 2.8Å; V608-N612 WeakPolarHBondContact O-CB 3.47Å; V608-N612 PolarHBondContact O-N 3.06Å; V608-N612 PolarHBondContact O-ND2 2.84Å; V608-N612 VanDerWaalsContact O-ND2 3.17Å; V608-N774 HydrophobicContact CG2-CB 4.25Å; V608-C797 HydrophobicContact CG2-CB 3.64Å; V608-C797 WeakPolarHBondContact CG2-SG 3.48Å; V608-F798 HydrophobicContact CG1-CZ 4.4Å
609E82.6Confident87.6Confident158 Ų15846.7 Ų46.774%0.73824%0.242SC*.Hα-helixtrans-68.8-43.5-179.5-65.6-176.7176.200111.3D607 N612 S613D607-E609 VanDerWaalsContact C-N 3.32Å; D607-E609 PolarHBondContact O-N 3.3Å; E609-N612 PolarHBondContact O-N 3.36Å; E609-S613 PolarHBondContact O-N 3.04Å; E609-S613 PolarHBondContact O-OG 2.99Å
610Y87.3Confident87.6Confident30 Ų3046.9 Ų46.912%0.11824%0.24CC..Hα-helixtrans-65.6-40.4175-165.2-94.7000111.7I603 D607 S613 L614 M667 R671I603-Y610 HydrophobicContact CD1-CD1 3.92Å; I603-Y610 HydrophobicContact CD1-CE1 3.93Å; I603-Y610 HydrophobicContact CG2-CD1 3.75Å; D607-Y610 PolarHBondContact O-N 2.88Å; D607-Y610 VanDerWaalsContact OD1-CB 3.27Å; D607-Y610 WeakPolarHBondContact OD1-CB 3.15Å; D607-Y610 PolarHBondContact OD1-N 2.72Å; Y610-S613 PolarHBondContact O-N 3.34Å; Y610-L614 HydrophobicContact CD1-CD1 3.83Å; Y610-L614 HydrophobicContact CD1-CG 4.34Å; Y610-L614 HydrophobicContact CE1-CD1 3.49Å; Y610-L614 VanDerWaalsContact CE1-CD1 3.49Å; Y610-L614 HydrophobicContact CE1-CG 4.2Å; Y610-L614 PolarHBondContact O-N 3.4Å; Y610-M667 HydrophobicContact CE1-CE 4.44Å; Y610-M667 HydrophobicContact CE2-CE 3.96Å; Y610-M667 WeakPolarHBondContact OH-CE 3.27Å; Y610-M667 PolarHBondContact OH-O 2.75Å; Y610-R671 HydrophobicContact CD1-CB 4.46Å; Y610-R671 HydrophobicContact CD1-CG 4.09Å; Y610-R671 HydrophobicContact CE1-CB 3.73Å; Y610-R671 HydrophobicContact CE1-CG 3.85Å
611Y89.6Confident87.5Confident21 Ų2148.4 Ų48.48%0.08225%0.249CC..Hα-helixtrans-57.8-50.5172.5169.2-99.9000111.9L600 E604 D607 V608 S613 L614 K615L600-Y611 HydrophobicContact CD1-CD2 3.87Å; L600-Y611 HydrophobicContact CD1-CE2 4.36Å; L600-Y611 HydrophobicContact CG-CD2 3.92Å; L600-Y611 HydrophobicContact CG-CE2 3.9Å; L600-Y611 VanDerWaalsContact O-CD2 3.28Å; L600-Y611 WeakPolarHBondContact O-CD2 3.19Å; E604-Y611 HydrophobicContact CB-CD1 4.03Å; E604-Y611 HydrophobicContact CB-CD2 3.71Å; E604-Y611 HydrophobicContact CB-CE1 4.26Å; E604-Y611 HydrophobicContact CB-CE2 3.92Å; E604-Y611 HydrophobicContact CB-CG 3.73Å; E604-Y611 HydrophobicContact CG-CD1 3.87Å; E604-Y611 HydrophobicContact CG-CD2 4.44Å; E604-Y611 HydrophobicContact CG-CE1 3.97Å; E604-Y611 HydrophobicContact CG-CE2 4.5Å; E604-Y611 HydrophobicContact CG-CG 4.1Å; D607-Y611 WeakPolarHBondContact O-CB 3.48Å; D607-Y611 PolarHBondContact O-N 2.82Å; V608-Y611 PolarHBondContact O-N 2.8Å; Y611-S613 PolarHBondContact O-N 3.48Å; Y611-L614 PolarHBondContact O-N 2.96Å; Y611-K615 HydrophobicContact CE1-CD 3.66Å; Y611-K615 HydrophobicContact CE2-CD 4.48Å; Y611-K615 VanDerWaalsContact O-CB 3.26Å; Y611-K615 WeakPolarHBondContact O-CB 3.25Å; Y611-K615 PolarHBondContact O-N 3.33Å; Y611-K615 WeakPolarHBondContact OH-CD 3.45Å; Y611-K615 PolarHBondContact OH-NZ 2.78Å
612N88.8Confident87.4Confident87 Ų8746.6 Ų46.647%0.46523%0.233SC..Hα-helixtrans-59.9-38.4180-72.5-27.5000111.6V608 E609 K615 F616V608-N612 WeakPolarHBondContact O-CB 3.47Å; V608-N612 PolarHBondContact O-N 3.06Å; V608-N612 PolarHBondContact O-ND2 2.84Å; V608-N612 VanDerWaalsContact O-ND2 3.17Å; E609-N612 PolarHBondContact O-N 3.36Å; N612-K615 PolarHBondContact O-N 3.33Å; N612-F616 WeakPolarHBondContact O-CB 3.37Å; N612-F616 PolarHBondContact O-N 3.21Å
613S89.4Confident87.2Confident71 Ų7150.9 Ų50.950%0.49726%0.256SS..Hα-helixtrans-64-46.8177.4-56.30000111.9E609 Y610 Y611 F616 I617E609-S613 PolarHBondContact O-N 3.04Å; E609-S613 PolarHBondContact O-OG 2.99Å; Y610-S613 PolarHBondContact O-N 3.34Å; Y611-S613 PolarHBondContact O-N 3.48Å; S613-F616 PolarHBondContact O-N 2.59Å; S613-I617 WeakPolarHBondContact O-CG1 3.12Å; S613-I617 PolarHBondContact O-N 2.76Å
614L92.2Very high87Confident4 Ų458.3 Ų58.32%0.02129%0.291CS..Hα-helixtrans-70.5-35.2177.3-71.2-178.2000113L600 I603 Y610 Y611 I617 Q618 Y663 M667 V668L600-L614 HydrophobicContact CD1-CB 3.62Å; L600-L614 HydrophobicContact CD1-CD1 3.93Å; L600-L614 HydrophobicContact CD1-CG 4.45Å; I603-L614 HydrophobicContact CD1-CD1 3.61Å; Y610-L614 HydrophobicContact CD1-CD1 3.83Å; Y610-L614 HydrophobicContact CD1-CG 4.34Å; Y610-L614 HydrophobicContact CE1-CD1 3.49Å; Y610-L614 VanDerWaalsContact CE1-CD1 3.49Å; Y610-L614 HydrophobicContact CE1-CG 4.2Å; Y610-L614 PolarHBondContact O-N 3.4Å; Y611-L614 PolarHBondContact O-N 2.96Å; L614-I617 HydrophobicContact CD2-CD1 4.45Å; L614-I617 WeakPolarHBondContact O-CB 3.44Å; L614-I617 PolarHBondContact O-N 3.06Å; L614-Q618 PolarHBondContact O-N 3.44Å; L614-Y663 HydrophobicContact CD2-CE1 4.19Å; L614-M667 HydrophobicContact CD1-CB 4.14Å; L614-M667 HydrophobicContact CD2-CB 4Å; L614-M667 HydrophobicContact CD2-CE 4.11Å; L614-M667 HydrophobicContact CD2-CG 4.28Å; L614-V668 HydrophobicContact CD1-CG2 4.34Å
615K91.4Very high86.5Confident51 Ų5159.8 Ų59.822%0.22230%0.302CS..Hα-helixtrans-66.2-39.1175-172.9172.2-170167.90111.8Y611 N612 I617 Q618 E619Y611-K615 HydrophobicContact CE1-CD 3.66Å; Y611-K615 HydrophobicContact CE2-CD 4.48Å; Y611-K615 VanDerWaalsContact O-CB 3.26Å; Y611-K615 WeakPolarHBondContact O-CB 3.25Å; Y611-K615 PolarHBondContact O-N 3.33Å; Y611-K615 WeakPolarHBondContact OH-CD 3.45Å; Y611-K615 PolarHBondContact OH-NZ 2.78Å; N612-K615 PolarHBondContact O-N 3.33Å; K615-I617 VanDerWaalsContact C-N 3.29Å; K615-I617 PolarHBondContact O-N 3.16Å; K615-Q618 WeakPolarHBondContact O-CB 3.34Å; K615-Q618 PolarHBondContact O-N 3.44Å; K615-Q618 VanDerWaalsContact O-N 3.14Å; K615-E619 WeakPolarHBondContact CE-OE1 3.29Å; K615-E619 HydrophobicContact CG-CG 4.28Å; K615-E619 WeakPolarHBondContact O-CB 3.47Å; K615-E619 WeakPolarHBondContact O-CG 3.28Å; K615-E619 PolarHBondContact O-N 3.06Å
616F89.9Confident86.2Confident98 Ų9863 Ų6343%0.4333%0.331SS..Hα-helixtrans-57.9-45.4171.4-179.6-88.3000110.9N612 S613 Q618 E619 N620 L627N612-F616 WeakPolarHBondContact O-CB 3.37Å; N612-F616 PolarHBondContact O-N 3.21Å; S613-F616 PolarHBondContact O-N 2.59Å; F616-Q618 VanDerWaalsContact C-N 3.29Å; F616-Q618 PolarHBondContact O-N 3.08Å; F616-E619 PolarHBondContact O-N 3.44Å; F616-N620 VanDerWaalsContact CD2-ND2 3.27Å; F616-N620 WeakPolarHBondContact CD2-ND2 3.31Å; F616-N620 HydrophobicContact CE1-CB 4.3Å; F616-N620 WeakPolarHBondContact CE2-ND2 3.28Å; F616-N620 HydrophobicContact CZ-CB 4.26Å; F616-N620 WeakPolarHBondContact O-CB 3.49Å; F616-N620 PolarHBondContact O-N 3.44Å; F616-N620 VanDerWaalsContact O-N 3.07Å; F616-N620 PolarHBondContact O-ND2 2.94Å; F616-L627 HydrophobicContact CE1-CD1 4.05Å
617I90.9Very high86.1Confident17 Ų1765.9 Ų65.99%0.08735%0.346CS..Hα-helixtrans-61-41.7176.3-67.9172.8000110.6S613 L614 K615 I622 K660 Y663 I664S613-I617 WeakPolarHBondContact O-CG1 3.12Å; S613-I617 PolarHBondContact O-N 2.76Å; L614-I617 HydrophobicContact CD2-CD1 4.45Å; L614-I617 WeakPolarHBondContact O-CB 3.44Å; L614-I617 PolarHBondContact O-N 3.06Å; K615-I617 VanDerWaalsContact C-N 3.29Å; K615-I617 PolarHBondContact O-N 3.16Å; I617-I622 HydrophobicContact CB-CD1 3.97Å; I617-I622 HydrophobicContact CG1-CD1 4.11Å; I617-I622 HydrophobicContact CG2-CD1 3.67Å; I617-I622 HydrophobicContact CG2-CG1 4.14Å; I617-I622 WeakPolarHBondContact O-CD1 3.48Å; I617-K660 HydrophobicContact CG2-CB 4.15Å; I617-K660 WeakPolarHBondContact O-CD 3.31Å; I617-K660 PolarHBondContact O-NZ 3.37Å; I617-Y663 HydrophobicContact CD1-CD1 4.49Å; I617-Y663 HydrophobicContact CD1-CE1 3.79Å; I617-Y663 HydrophobicContact CG2-CD1 4.43Å; I617-I664 HydrophobicContact CG2-CD1 4.24Å; I617-I664 HydrophobicContact CG2-CG1 4.31Å
618Q92Very high86.1Confident89 Ų8970.4 Ų70.442%0.41637%0.37SS..Hα-helixtrans-61.7-46178.7-168-179.629.400112.8L600 L614 K615 F616 K660 I664L600-Q618 VanDerWaalsContact CD2-OE1 3.31Å; L614-Q618 PolarHBondContact O-N 3.44Å; K615-Q618 WeakPolarHBondContact O-CB 3.34Å; K615-Q618 PolarHBondContact O-N 3.44Å; K615-Q618 VanDerWaalsContact O-N 3.14Å; F616-Q618 VanDerWaalsContact C-N 3.29Å; F616-Q618 PolarHBondContact O-N 3.08Å; Q618-K660 WeakPolarHBondContact O-CE 3.17Å; Q618-K660 PolarHBondContact O-NZ 3.24Å; Q618-I664 HydrophobicContact CB-CD1 3.7Å; Q618-I664 HydrophobicContact CG-CD1 4.1Å
619E91.6Very high86.4Confident130 Ų13071.2 Ų71.261%0.60738%0.375SS*.Hα-helixtrans-86.5-18.3-169.7-68.2178171.700114.1K615 F616K615-E619 WeakPolarHBondContact CE-OE1 3.29Å; K615-E619 HydrophobicContact CG-CG 4.28Å; K615-E619 WeakPolarHBondContact O-CB 3.47Å; K615-E619 WeakPolarHBondContact O-CG 3.28Å; K615-E619 PolarHBondContact O-N 3.06Å; F616-E619 PolarHBondContact O-N 3.44Å
620N90.2Very high86.9Confident57 Ų5768.2 Ų68.231%0.30536%0.358SS..SBendtrans-111.3154.8-176.5-62.4-86.4000112.3F616 I622 K660F616-N620 VanDerWaalsContact CD2-ND2 3.27Å; F616-N620 WeakPolarHBondContact CD2-ND2 3.31Å; F616-N620 HydrophobicContact CE1-CB 4.3Å; F616-N620 WeakPolarHBondContact CE2-ND2 3.28Å; F616-N620 HydrophobicContact CZ-CB 4.26Å; F616-N620 WeakPolarHBondContact O-CB 3.49Å; F616-N620 PolarHBondContact O-N 3.44Å; F616-N620 VanDerWaalsContact O-N 3.07Å; F616-N620 PolarHBondContact O-ND2 2.94Å; N620-I622 PolarHBondContact O-N 3.12Å; N620-K660 PolarHBondContact O-NZ 2.93Å
621N88.6Confident87.2Confident53 Ų5366.8 Ų66.828%0.28335%0.352SS..  trans-76.1109.2173.2-174.5-11.9000109.9D623 E624 C625 D657N621-D623 VanDerWaalsContact C-N 3.28Å; N621-D623 PolarHBondContact O-N 2.87Å; N621-D623 PolarHBondContact OD1-N 2.94Å; N621-D623 VanDerWaalsContact OD1-N 3.14Å; N621-E624 HydrophobicContact CB-CB 4.4Å; N621-E624 HydrophobicContact CB-CG 4.34Å; N621-E624 PolarHBondContact ND2-OE1 3.45Å; N621-E624 PolarHBondContact O-N 2.89Å; N621-C625 PolarHBondContact O-N 2.91Å; N621-C625 PolarHBondContact O-SG 3.16Å; N621-D657 WeakPolarHBondContact CA-OD1 3.25Å; N621-D657 WeakPolarHBondContact OD1-CB 3.38Å
622I85.9Confident87.3Confident5 Ų566.8 Ų66.83%0.02636%0.357CS..G310 helixtrans-65.4-34.1-174.6-53.4-55.8000112.1I617 N620 E624 C625 L627 K660I617-I622 HydrophobicContact CB-CD1 3.97Å; I617-I622 HydrophobicContact CG1-CD1 4.11Å; I617-I622 HydrophobicContact CG2-CD1 3.67Å; I617-I622 HydrophobicContact CG2-CG1 4.14Å; I617-I622 WeakPolarHBondContact O-CD1 3.48Å; N620-I622 PolarHBondContact O-N 3.12Å; I622-E624 PolarHBondContact O-N 2.91Å; I622-C625 PolarHBondContact O-N 3.22Å; I622-C625 VanDerWaalsContact O-N 3.09Å; I622-L627 HydrophobicContact CG2-CB 4.35Å; I622-K660 HydrophobicContact CG1-CB 4.36Å; I622-K660 HydrophobicContact CG1-CD 3.98Å
623D83.4Confident87.2Confident103 Ų10364.9 Ų64.955%0.55135%0.345SS*.G310 helixtrans-66.1-26-177-56.2-21.2000111.2N621 T656 D657N621-D623 VanDerWaalsContact C-N 3.28Å; N621-D623 PolarHBondContact O-N 2.87Å; N621-D623 PolarHBondContact OD1-N 2.94Å; N621-D623 VanDerWaalsContact OD1-N 3.14Å; D623-T656 VanDerWaalsContact OD1-CA 3.27Å; D623-T656 WeakPolarHBondContact OD1-CA 3.48Å; D623-T656 WeakPolarHBondContact OD1-CB 3.29Å; D623-D657 PolarHBondContact OD1-N 3.24Å
624E84.2Confident86.9Confident155 Ų15565.5 Ų65.572%0.72434%0.343SS*.G310 helixtrans-89.6-19176.5-67.2175.1-154.900113.4N621 I622 A626N621-E624 HydrophobicContact CB-CB 4.4Å; N621-E624 HydrophobicContact CB-CG 4.34Å; N621-E624 PolarHBondContact ND2-OE1 3.45Å; N621-E624 PolarHBondContact O-N 2.89Å; I622-E624 PolarHBondContact O-N 2.91Å; E624-A626 VanDerWaalsContact C-N 3.33Å; E624-A626 PolarHBondContact O-N 3.06Å
625C76.8Confident86.2Confident47 Ų4768.3 Ų68.332%0.31835%0.354SS..THydrogen-bonded Turntrans-83.7-2.7-173.7-67.20000114.2N621 I622 L627N621-C625 PolarHBondContact O-N 2.91Å; N621-C625 PolarHBondContact O-SG 3.16Å; I622-C625 PolarHBondContact O-N 3.22Å; I622-C625 VanDerWaalsContact O-N 3.09Å; C625-L627 HydrophobicContact CB-CB 4.49Å; C625-L627 HydrophobicContact CB-CD1 3.82Å; C625-L627 HydrophobicContact CB-CG 3.88Å; C625-L627 PolarHBondContact O-N 3.17Å
626A72.6Confident85Confident91 Ų9172.7 Ų72.775%0.75238%0.375SS*.THydrogen-bonded Turntrans49.637.1-173.900000113.3E624E624-A626 VanDerWaalsContact C-N 3.33Å; E624-A626 PolarHBondContact O-N 3.06Å
627L76.7Confident83.8Confident67 Ų6770.6 Ų70.635%0.35137%0.37SS..  trans-92.7107.9177.7-74.2173.3000109.6F616 I622 C625 V629F616-L627 HydrophobicContact CE1-CD1 4.05Å; I622-L627 HydrophobicContact CG2-CB 4.35Å; C625-L627 HydrophobicContact CB-CB 4.49Å; C625-L627 HydrophobicContact CB-CD1 3.82Å; C625-L627 HydrophobicContact CB-CG 3.88Å; C625-L627 PolarHBondContact O-N 3.17Å; L627-V629 HydrophobicContact CB-CG2 4.05Å; L627-V629 PolarHBondContact O-N 3.03Å
628D81.9Confident82.4Confident131 Ų13177.1 Ų77.170%0.70141%0.405SS*.  trans-79.770.7174.8-73-21.7000110.7Y630D628-Y630 HydrophobicContact CB-CE2 4.27Å
629V87.8Confident80.9Confident31 Ų3175.6 Ų75.619%0.18841%0.412CS..  trans-99.7135.1178.6-175.50000109.1L627 L654 V655 Y663L627-V629 HydrophobicContact CB-CG2 4.05Å; L627-V629 PolarHBondContact O-N 3.03Å; V629-L654 WeakPolarHBondContact O-CD1 3.43Å; V629-V655 HydrophobicContact CB-CB 4.17Å; V629-V655 HydrophobicContact CB-CG2 4.27Å; V629-V655 HydrophobicContact CG1-CB 4.26Å; V629-V655 HydrophobicContact CG1-CG2 3.87Å; V629-V655 WeakPolarHBondContact O-CB 2.96Å; V629-V655 WeakPolarHBondContact O-CG2 3.38Å; V629-V655 PolarHBondContact O-N 2.83Å; V629-Y663 HydrophobicContact CG1-CE1 3.97Å; V629-Y663 HydrophobicContact CG1-CE2 3.84Å; V629-Y663 VanDerWaalsContact CG1-CZ 3.44Å; V629-Y663 VanDerWaalsContact CG1-OH 3.29Å; V629-Y663 WeakPolarHBondContact CG1-OH 3.36Å
630Y93.1Very high79.6Confident95 Ų9574.4 Ų74.437%0.37341%0.407SS..BIsolated β-bridgetrans-118167.6179.2-67.7-98.2000110.1D628 A632 K651 I653 L654 Y663D628-Y630 HydrophobicContact CB-CE2 4.27Å; Y630-A632 PolarHBondContact O-N 2.79Å; Y630-K651 WeakPolarHBondContact CD1-O 3.1Å; Y630-I653 WeakPolarHBondContact CA-O 3.35Å; Y630-L654 HydrophobicContact CD1-CB 4.48Å; Y630-L654 HydrophobicContact CD1-CD1 4.39Å; Y630-L654 HydrophobicContact CD2-CD1 4.41Å; Y630-L654 HydrophobicContact CE1-CB 4.24Å; Y630-L654 HydrophobicContact CE1-CD1 3.95Å; Y630-L654 HydrophobicContact CE2-CD1 3.95Å; Y630-Y663 VanDerWaalsContact O-CE2 3.32Å; Y630-Y663 WeakPolarHBondContact O-CE2 3.37Å
631F95.2Very high78.9Confident0 Ų077.2 Ų77.20%042%0.421CS..SBendtrans-74.644.8172.3-80-104.8000112.4L646 K647 G650 I653 V655 N659 E662 Y663 L666F631-L646 WeakPolarHBondContact O-CB 3.29Å; F631-L646 PolarHBondContact O-N 3.48Å; F631-K647 HydrophobicContact CB-CD 4.39Å; F631-K647 HydrophobicContact CB-CG 4.05Å; F631-K647 HydrophobicContact CD1-CD 3.58Å; F631-K647 HydrophobicContact CD1-CG 4Å; F631-K647 HydrophobicContact CE1-CD 3.98Å; F631-K647 VanDerWaalsContact CE1-NZ 3.32Å; F631-K647 HydrophobicContact CG-CD 4.07Å; F631-K647 VanDerWaalsContact CG-CE 3.42Å; F631-K647 HydrophobicContact CG-CG 4.26Å; F631-G650 CarbonylContact C-O 3.5Å; F631-G650 WeakPolarHBondContact CA-O 3.42Å; F631-G650 WeakPolarHBondContact CB-O 3.45Å; F631-G650 PolarHBondContact N-O 2.96Å; F631-G650 CarbonylContact O-C 3.6Å; F631-G650 WeakPolarHBondContact O-CA 3.05Å; F631-I653 HydrophobicContact CB-CB 4.47Å; F631-I653 HydrophobicContact CD2-CB 4.15Å; F631-I653 HydrophobicContact CD2-CG2 3.67Å; F631-I653 HydrophobicContact CE2-CG2 4.02Å; F631-I653 HydrophobicContact CG-CG2 4.45Å; F631-I653 PolarHBondContact N-O 2.89Å; F631-V655 HydrophobicContact CD2-CG2 3.72Å; F631-V655 HydrophobicContact CE2-CB 4.49Å; F631-V655 HydrophobicContact CE2-CG2 3.77Å; F631-N659 HydrophobicContact CE2-CB 4.43Å; F631-N659 HydrophobicContact CZ-CB 4.26Å; F631-E662 HydrophobicContact CE1-CB 4.15Å; F631-E662 HydrophobicContact CE1-CG 3.96Å; F631-E662 HydrophobicContact CZ-CB 4.24Å; F631-E662 HydrophobicContact CZ-CG 4.44Å; F631-Y663 HydrophobicContact CD1-CD2 4.34Å; F631-Y663 HydrophobicContact CG-CD2 4.4Å; F631-L666 HydrophobicContact CD1-CD1 3.74Å; F631-L666 HydrophobicContact CE1-CD1 3.85Å
632A91.2Very high78.4Confident21 Ų2180.1 Ų80.117%0.17443%0.428CS..EExtended strand (participates in β ladder)trans-142.6149.7176.400000109.9Y630 T643 H644 K651Y630-A632 PolarHBondContact O-N 2.79Å; A632-T643 HydrophobicContact CB-CG2 3.98Å; A632-H644 CarbonylContact C-O 3.51Å; A632-H644 VanDerWaalsContact CA-O 3.25Å; A632-H644 WeakPolarHBondContact CA-O 3.45Å; A632-K651 HydrophobicContact CB-CB 4.48Å; A632-K651 HydrophobicContact CB-CG 3.72Å
633M86.4Confident78.4Confident46 Ų4683.1 Ų83.123%0.22745%0.447CS..EExtended strand (participates in β ladder)trans-133.5132.5178.4179.254.684.300110.8H644 M667 W670M633-H644 PolarHBondContact N-O 3.13Å; M633-H644 PolarHBondContact O-N 2.89Å; M633-M667 HydrophobicContact CB-SD 4.38Å; M633-M667 HydrophobicContact CE-CE 3.15Å; M633-M667 HydrophobicContact CE-SD 3.94Å; M633-W670 HydrophobicContact CB-CH2 4.07Å; M633-W670 HydrophobicContact CB-CZ2 4.34Å; M633-W670 HydrophobicContact CB-CZ3 4.22Å; M633-W670 HydrophobicContact CG-CE3 4.28Å; M633-W670 HydrophobicContact CG-CH2 3.32Å; M633-W670 HydrophobicContact CG-CZ2 4.02Å; M633-W670 HydrophobicContact CG-CZ3 3.48Å; M633-W670 VanDerWaalsContact CG-CZ3 3.48Å
634D82.6Confident78.6Confident85 Ų8581.9 Ų81.946%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-86.6137.1171.4-68-23.4000110.2L641 R642 T643D634-L641 HydrophobicContact CB-CD1 4.03Å; D634-L641 HydrophobicContact CB-CG 4.29Å; D634-R642 CarbonylContact C-O 3.59Å; D634-R642 WeakPolarHBondContact CA-O 3.36Å; D634-T643 WeakPolarHBondContact OD1-CA 3.32Å; D634-T643 WeakPolarHBondContact OD1-CB 3.45Å; D634-T643 WeakPolarHBondContact OD1-CG2 3.29Å; D634-T643 PolarHBondContact OD1-OG1 3.18Å
635Y77.8Confident79Confident63 Ų6378 Ų7825%0.24742%0.419CS..EExtended strand (participates in β ladder)trans-144.3145177.668.9-70.5000110.3V637 R642 H644 W670Y635-V637 HydrophobicContact CD2-CG2 3.45Å; Y635-V637 VanDerWaalsContact CD2-CG2 3.45Å; Y635-V637 HydrophobicContact CE2-CG2 3.18Å; Y635-R642 HydrophobicContact CD1-CB 4.3Å; Y635-R642 WeakPolarHBondContact CD1-O 3.36Å; Y635-R642 HydrophobicContact CE1-CB 3.76Å; Y635-R642 WeakPolarHBondContact CE1-O 3.33Å; Y635-R642 PolarHBondContact N-O 3.2Å; Y635-R642 PolarHBondContact O-N 2.85Å; Y635-H644 HydrophobicContact CD1-CB 4.23Å; Y635-H644 HydrophobicContact CE1-CB 3.8Å; Y635-W670 AromaticContact CD1-CZ2 3.82Å; Y635-W670 HydrophobicContact CD1-CZ2 3.82Å; Y635-W670 HydrophobicContact CG-CH2 4.32Å; Y635-W670 AromaticContact CG-CZ2 3.89Å; Y635-W670 HydrophobicContact CG-CZ2 3.89Å
636E66.7Low79.8Confident143 Ų14376.7 Ų76.767%0.66841%0.409SS*.EExtended strand (participates in β ladder)trans-93125.9179.7-167.5-177.3150.700109.8G639 E640E636-G639 VanDerWaalsContact OE1-CA 3.25Å; E636-G639 WeakPolarHBondContact OE1-CA 3.48Å; E636-E640 WeakPolarHBondContact CA-O 3.35Å
637V63.3Low80.7Confident53 Ų5374.2 Ų74.232%0.32138%0.382SS..EExtended strand (participates in β ladder)trans-119.9113.5171.5-177.90000108Y635 G639 E640Y635-V637 HydrophobicContact CD2-CG2 3.45Å; Y635-V637 VanDerWaalsContact CD2-CG2 3.45Å; Y635-V637 HydrophobicContact CE2-CG2 3.18Å; V637-G639 PolarHBondContact O-N 2.78Å; V637-E640 PolarHBondContact N-O 2.97Å; V637-E640 WeakPolarHBondContact O-CB 3.01Å; V637-E640 PolarHBondContact O-N 2.78Å
638L63.2Low81.5Confident155 Ų15576.7 Ų76.781%0.81240%0.402SS*.THydrogen-bonded Turntrans52.935.4178-57.6171.9000113.7
639G60.6Low82Confident56 Ų5671.9 Ų71.958%0.57738%0.383SS*.THydrogen-bonded Turntrans91.8-11.3-177.200000115.4E636 V637E636-G639 VanDerWaalsContact OE1-CA 3.25Å; E636-G639 WeakPolarHBondContact OE1-CA 3.48Å; V637-G639 PolarHBondContact O-N 2.78Å
640E64.2Low82.2Confident105 Ų10570.4 Ų70.449%0.49137%0.374SS..EExtended strand (participates in β ladder)trans-94.4120.6178.6-170.1-172.7-176.500110.4E636 V637 R642E636-E640 WeakPolarHBondContact CA-O 3.35Å; V637-E640 PolarHBondContact N-O 2.97Å; V637-E640 WeakPolarHBondContact O-CB 3.01Å; V637-E640 PolarHBondContact O-N 2.78Å; E640-R642 HydrophobicContact CG-CG 4.27Å; E640-R642 PolarHBondContact O-N 2.76Å; E640-R642 IonicContact OE1-NE 3.66Å; E640-R642 IonicContact OE2-CZ 2.69Å; E640-R642 VanDerWaalsContact OE2-CZ 3.3Å; E640-R642 IonicContact OE2-NE 3.45Å; E640-R642 PolarHBondContact OE2-NE 3.33Å; E640-R642 IonicContact OE2-NH2 3.38Å; E640-R642 PolarHBondContact OE2-NH2 3.2Å
641L73.7Confident82.2Confident117 Ų11770.5 Ų70.561%0.61338%0.376SS*.EExtended strand (participates in β ladder)trans-75120.6172.2-166.773.6000109.6D634D634-L641 HydrophobicContact CB-CD1 4.03Å; D634-L641 HydrophobicContact CB-CG 4.29Å
642R79.1Confident82.1Confident114 Ų11477.4 Ų77.443%0.4341%0.413SS..EExtended strand (participates in β ladder)trans-121.5141.3177.1-65.6-173.3177.3-167.40.8110.2D634 Y635 E640D634-R642 CarbonylContact C-O 3.59Å; D634-R642 WeakPolarHBondContact CA-O 3.36Å; Y635-R642 HydrophobicContact CD1-CB 4.3Å; Y635-R642 WeakPolarHBondContact CD1-O 3.36Å; Y635-R642 HydrophobicContact CE1-CB 3.76Å; Y635-R642 WeakPolarHBondContact CE1-O 3.33Å; Y635-R642 PolarHBondContact N-O 3.2Å; Y635-R642 PolarHBondContact O-N 2.85Å; E640-R642 HydrophobicContact CG-CG 4.27Å; E640-R642 PolarHBondContact O-N 2.76Å; E640-R642 IonicContact OE1-NE 3.66Å; E640-R642 IonicContact OE2-CZ 2.69Å; E640-R642 VanDerWaalsContact OE2-CZ 3.3Å; E640-R642 IonicContact OE2-NE 3.45Å; E640-R642 PolarHBondContact OE2-NE 3.33Å; E640-R642 IonicContact OE2-NH2 3.38Å; E640-R642 PolarHBondContact OE2-NH2 3.2Å
643T86.2Confident82.2Confident67 Ų6779.2 Ų79.241%0.41142%0.419SS..EExtended strand (participates in β ladder)trans-99.4124.6174.1-47.10000110.6A632 D634 K651A632-T643 HydrophobicContact CB-CG2 3.98Å; D634-T643 WeakPolarHBondContact OD1-CA 3.32Å; D634-T643 WeakPolarHBondContact OD1-CB 3.45Å; D634-T643 WeakPolarHBondContact OD1-CG2 3.29Å; D634-T643 PolarHBondContact OD1-OG1 3.18Å; T643-K651 HydrophobicContact CG2-CD 4.36Å; T643-K651 VanDerWaalsContact CG2-CE 3.45Å; T643-K651 HydrophobicContact CG2-CG 4.3Å
644H86.9Confident82.5Confident78 Ų7880.4 Ų80.436%0.36143%0.426SS..EExtended strand (participates in β ladder)trans-103.1125.1171.8-173.279000110.7A632 M633 Y635 W670A632-H644 CarbonylContact C-O 3.51Å; A632-H644 VanDerWaalsContact CA-O 3.25Å; A632-H644 WeakPolarHBondContact CA-O 3.45Å; M633-H644 PolarHBondContact N-O 3.13Å; M633-H644 PolarHBondContact O-N 2.89Å; Y635-H644 HydrophobicContact CD1-CB 4.23Å; Y635-H644 HydrophobicContact CE1-CB 3.8Å; H644-W670 AromaticContact CD2-CD1 3.19Å; H644-W670 AromaticContact CD2-NE1 3.18Å; H644-W670 PolarHBondContact CD2-NE1 3Å; H644-W670 AromaticContact CG-CD1 3.93Å; H644-W670 AromaticContact CG-NE1 3.44Å; H644-W670 AromaticContact NE2-CD1 3.47Å; H644-W670 AromaticContact NE2-NE1 3.78Å
645E93.5Very high83Confident73 Ų7376.5 Ų76.534%0.34141%0.406SS..EExtended strand (participates in β ladder)trans-80.4118.6170.7-78.4175.1-143.200109.9K647 G649 G650 K651E645-K647 PolarHBondContact O-N 2.9Å; E645-G649 WeakPolarHBondContact OE2-CA 3.37Å; E645-G649 PolarHBondContact OE2-N 2.61Å; E645-G650 PolarHBondContact OE2-N 2.77Å; E645-K651 HydrophobicContact CG-CB 4.42Å; E645-K651 HydrophobicContact CG-CD 4.05Å; E645-K651 HydrophobicContact CG-CG 3.67Å; E645-K651 WeakPolarHBondContact OE1-CD 3.38Å; E645-K651 WeakPolarHBondContact OE1-CE 3.38Å; E645-K651 IonicContact OE1-NZ 3.63Å; E645-K651 PolarHBondContact OE1-NZ 2.73Å
646L92.2Very high83.7Confident20 Ų2075.5 Ų75.511%0.10541%0.406CS..SBendtrans-67.7-26.2-178.8-64.4173000112.3F631 Y663 L666 M667 W670F631-L646 WeakPolarHBondContact O-CB 3.29Å; F631-L646 PolarHBondContact O-N 3.48Å; L646-Y663 HydrophobicContact CD1-CD2 3.83Å; L646-Y663 HydrophobicContact CD1-CE2 3.68Å; L646-L666 HydrophobicContact CB-CB 4.09Å; L646-L666 HydrophobicContact CB-CD1 4.15Å; L646-L666 HydrophobicContact CD1-CB 4.43Å; L646-M667 HydrophobicContact CD1-CG 3.74Å; L646-M667 HydrophobicContact CD1-SD 3.66Å; L646-M667 HydrophobicContact CD2-SD 4.15Å; L646-W670 HydrophobicContact CD2-CB 3.79Å; L646-W670 HydrophobicContact CD2-CD2 4.41Å; L646-W670 HydrophobicContact CD2-CG 3.88Å
647K93.4Very high84.9Confident39 Ų3971.3 Ų71.317%0.1739%0.388CS..SBendtrans-145.9161.6172.767.7-175.2179.9-174.10110.1F631 E645 G649 G650 I653 E662 L666F631-K647 HydrophobicContact CB-CD 4.39Å; F631-K647 HydrophobicContact CB-CG 4.05Å; F631-K647 HydrophobicContact CD1-CD 3.58Å; F631-K647 HydrophobicContact CD1-CG 4Å; F631-K647 HydrophobicContact CE1-CD 3.98Å; F631-K647 VanDerWaalsContact CE1-NZ 3.32Å; F631-K647 HydrophobicContact CG-CD 4.07Å; F631-K647 VanDerWaalsContact CG-CE 3.42Å; F631-K647 HydrophobicContact CG-CG 4.26Å; E645-K647 PolarHBondContact O-N 2.9Å; K647-G649 PolarHBondContact O-N 2.95Å; K647-G650 WeakPolarHBondContact O-CA 2.95Å; K647-G650 PolarHBondContact O-N 3.31Å; K647-I653 HydrophobicContact CD-CD1 4.4Å; K647-I653 HydrophobicContact CG-CD1 4.38Å; K647-E662 WeakPolarHBondContact CD-OE1 3.48Å; K647-E662 IonicContact NZ-OE1 2.82Å; K647-E662 PolarHBondContact NZ-OE1 3Å; K647-E662 IonicContact NZ-OE2 2.82Å; K647-E662 PolarHBondContact NZ-OE2 2.78Å; K647-L666 HydrophobicContact CB-CD1 4.18Å; K647-L666 HydrophobicContact CD-CD1 4.24Å
648P93.4Very high86.3Confident119 Ų11973.4 Ų73.477%0.77341%0.411SS*.THydrogen-bonded Turntrans-55.1123.3-178.9-26.135.2000112.5G650P648-G650 VanDerWaalsContact C-N 3.27Å
649G92.2Very high87.7Confident30 Ų3067.6 Ų67.631%0.30938%0.381SS..THydrogen-bonded Turntrans7614.9-17700000113.5E645 K647 K651 D652 I653E645-G649 WeakPolarHBondContact OE2-CA 3.37Å; E645-G649 PolarHBondContact OE2-N 2.61Å; K647-G649 PolarHBondContact O-N 2.95Å; G649-K651 PolarHBondContact O-N 3.04Å; G649-K651 VanDerWaalsContact O-N 3.13Å; G649-D652 PolarHBondContact O-N 3.11Å; G649-I653 WeakPolarHBondContact O-CG1 3.31Å
650G92.4Very high89.3Confident0 Ų066.4 Ų66.40%036%0.36CS..G310 helixtrans-61-25.3-171.100000114.6F631 E645 K647 P648 D652 I653F631-G650 CarbonylContact C-O 3.5Å; F631-G650 WeakPolarHBondContact CA-O 3.42Å; F631-G650 WeakPolarHBondContact CB-O 3.45Å; F631-G650 PolarHBondContact N-O 2.96Å; F631-G650 CarbonylContact O-C 3.6Å; F631-G650 WeakPolarHBondContact O-CA 3.05Å; E645-G650 PolarHBondContact OE2-N 2.77Å; K647-G650 WeakPolarHBondContact O-CA 2.95Å; K647-G650 PolarHBondContact O-N 3.31Å; P648-G650 VanDerWaalsContact C-N 3.27Å; G650-D652 PolarHBondContact O-N 2.97Å; G650-I653 PolarHBondContact O-N 2.82Å
651K91.2Very high90.7Very high97 Ų9765 Ų6542%0.42237%0.367SS..G310 helixtrans-60.6-29.3173.9-76.7173.3-166171.10113.5Y630 A632 T643 E645 G649Y630-K651 WeakPolarHBondContact CD1-O 3.1Å; A632-K651 HydrophobicContact CB-CB 4.48Å; A632-K651 HydrophobicContact CB-CG 3.72Å; T643-K651 HydrophobicContact CG2-CD 4.36Å; T643-K651 VanDerWaalsContact CG2-CE 3.45Å; T643-K651 HydrophobicContact CG2-CG 4.3Å; E645-K651 HydrophobicContact CG-CB 4.42Å; E645-K651 HydrophobicContact CG-CD 4.05Å; E645-K651 HydrophobicContact CG-CG 3.67Å; E645-K651 WeakPolarHBondContact OE1-CD 3.38Å; E645-K651 WeakPolarHBondContact OE1-CE 3.38Å; E645-K651 IonicContact OE1-NZ 3.63Å; E645-K651 PolarHBondContact OE1-NZ 2.73Å; G649-K651 PolarHBondContact O-N 3.04Å; G649-K651 VanDerWaalsContact O-N 3.13Å
652D93.1Very high91.7Very high145 Ų14563.7 Ų63.778%0.77536%0.357SS*.G310 helixtrans-98.8-0.8-177.3-57.2-47.4000112.3G649 G650G649-D652 PolarHBondContact O-N 3.11Å; G650-D652 PolarHBondContact O-N 2.97Å
653I93.9Very high92.5Very high58 Ų5858.8 Ų58.830%0.29734%0.339SS..  trans-104.4107.1-176.5-58170.7000108.5Y630 F631 K647 G649 G650Y630-I653 WeakPolarHBondContact CA-O 3.35Å; F631-I653 HydrophobicContact CB-CB 4.47Å; F631-I653 HydrophobicContact CD2-CB 4.15Å; F631-I653 HydrophobicContact CD2-CG2 3.67Å; F631-I653 HydrophobicContact CE2-CG2 4.02Å; F631-I653 HydrophobicContact CG-CG2 4.45Å; F631-I653 PolarHBondContact N-O 2.89Å; K647-I653 HydrophobicContact CD-CD1 4.4Å; K647-I653 HydrophobicContact CG-CD1 4.38Å; G649-I653 WeakPolarHBondContact O-CG1 3.31Å; G650-I653 PolarHBondContact O-N 2.82Å
654L93.1Very high92.8Very high72 Ų7256.3 Ų56.338%0.37732%0.323SS..BIsolated β-bridgetrans-67.1137.7174.7-169.672.8000110.6V629 Y630 N659V629-L654 WeakPolarHBondContact O-CD1 3.43Å; Y630-L654 HydrophobicContact CD1-CB 4.48Å; Y630-L654 HydrophobicContact CD1-CD1 4.39Å; Y630-L654 HydrophobicContact CD2-CD1 4.41Å; Y630-L654 HydrophobicContact CE1-CB 4.24Å; Y630-L654 HydrophobicContact CE1-CD1 3.95Å; Y630-L654 HydrophobicContact CE2-CD1 3.95Å; L654-N659 PolarHBondContact O-ND2 2.89Å
655V92.9Very high93.1Very high3 Ų356.8 Ų56.82%0.01833%0.328CS..  trans-77.8120.4169.5-178.10000108.2V629 F631 N659 K660 Y663V629-V655 HydrophobicContact CB-CB 4.17Å; V629-V655 HydrophobicContact CB-CG2 4.27Å; V629-V655 HydrophobicContact CG1-CB 4.26Å; V629-V655 HydrophobicContact CG1-CG2 3.87Å; V629-V655 WeakPolarHBondContact O-CB 2.96Å; V629-V655 WeakPolarHBondContact O-CG2 3.38Å; V629-V655 PolarHBondContact O-N 2.83Å; F631-V655 HydrophobicContact CD2-CG2 3.72Å; F631-V655 HydrophobicContact CE2-CB 4.49Å; F631-V655 HydrophobicContact CE2-CG2 3.77Å; V655-N659 VanDerWaalsContact CA-OD1 3.26Å; V655-N659 WeakPolarHBondContact CA-OD1 3.45Å; V655-K660 HydrophobicContact CG1-CB 4.13Å; V655-Y663 HydrophobicContact CG1-CD1 4.22Å; V655-Y663 HydrophobicContact CG1-CG 4.06Å; V655-Y663 HydrophobicContact CG2-CD1 4.3Å; V655-Y663 HydrophobicContact CG2-CD2 3.45Å; V655-Y663 VanDerWaalsContact CG2-CD2 3.45Å; V655-Y663 HydrophobicContact CG2-CE2 3.94Å; V655-Y663 HydrophobicContact CG2-CG 3.65Å
656T92.2Very high93.2Very high41 Ų4155.4 Ų55.425%0.25232%0.323SS..  trans-116166.2177.564.80000109.1D623 A658 N659 K660D623-T656 VanDerWaalsContact OD1-CA 3.27Å; D623-T656 WeakPolarHBondContact OD1-CA 3.48Å; D623-T656 WeakPolarHBondContact OD1-CB 3.29Å; T656-A658 PolarHBondContact O-N 3.38Å; T656-A658 VanDerWaalsContact O-N 3.13Å; T656-N659 PolarHBondContact N-OD1 2.68Å; T656-N659 PolarHBondContact O-N 3.38Å; T656-N659 PolarHBondContact O-OD1 3.46Å; T656-N659 PolarHBondContact OG1-ND2 2.88Å; T656-K660 PolarHBondContact O-N 3.41Å
657D91.8Very high93.2Very high55 Ų5554.6 Ų54.629%0.29432%0.318SS..THydrogen-bonded Turntrans-56.1-36.8177.3-162.367.5000112.7N621 D623 N659 K660N621-D657 WeakPolarHBondContact CA-OD1 3.25Å; N621-D657 WeakPolarHBondContact OD1-CB 3.38Å; D623-D657 PolarHBondContact OD1-N 3.24Å; D657-N659 VanDerWaalsContact C-N 3.33Å; D657-N659 PolarHBondContact O-N 3.39Å; D657-K660 WeakPolarHBondContact O-CG 3.4Å; D657-K660 WeakPolarHBondContact OD1-CD 3.21Å; D657-K660 VanDerWaalsContact OD1-CE 3.26Å; D657-K660 WeakPolarHBondContact OD1-CE 3.35Å; D657-K660 IonicContact OD1-NZ 3.75Å; D657-K660 PolarHBondContact OD1-NZ 3.46Å
658A92.7Very high93.1Very high98 Ų9852.8 Ų52.881%0.8131%0.311SS*.THydrogen-bonded Turntrans-66.8-23.9178.200000115.4T656T656-A658 PolarHBondContact O-N 3.38Å; T656-A658 VanDerWaalsContact O-N 3.13Å
659N93.9Very high93Very high33 Ų3350.1 Ų50.118%0.17629%0.29CS..THydrogen-bonded Turntrans-117.5-1.1-175.173.522000113.2F631 L654 V655 T656 D657 A661 E662 Y663F631-N659 HydrophobicContact CE2-CB 4.43Å; F631-N659 HydrophobicContact CZ-CB 4.26Å; L654-N659 PolarHBondContact O-ND2 2.89Å; V655-N659 VanDerWaalsContact CA-OD1 3.26Å; V655-N659 WeakPolarHBondContact CA-OD1 3.45Å; T656-N659 PolarHBondContact N-OD1 2.68Å; T656-N659 PolarHBondContact O-N 3.38Å; T656-N659 PolarHBondContact O-OD1 3.46Å; T656-N659 PolarHBondContact OG1-ND2 2.88Å; D657-N659 VanDerWaalsContact C-N 3.33Å; D657-N659 PolarHBondContact O-N 3.39Å; N659-A661 PolarHBondContact O-N 3.42Å; N659-A661 VanDerWaalsContact O-N 3.15Å; N659-E662 WeakPolarHBondContact O-CB 3.47Å; N659-E662 PolarHBondContact O-N 2.91Å; N659-E662 VanDerWaalsContact O-N 3.08Å; N659-Y663 PolarHBondContact O-N 3.49Å
660K93.5Very high92.9Very high30 Ų3049.5 Ų49.513%0.1328%0.278CS..Hα-helixtrans-58.9-29.8-176.975.8-172.3-176-179.90114I617 Q618 N620 I622 V655 T656 D657 Y663 I664I617-K660 HydrophobicContact CG2-CB 4.15Å; I617-K660 WeakPolarHBondContact O-CD 3.31Å; I617-K660 PolarHBondContact O-NZ 3.37Å; Q618-K660 WeakPolarHBondContact O-CE 3.17Å; Q618-K660 PolarHBondContact O-NZ 3.24Å; N620-K660 PolarHBondContact O-NZ 2.93Å; I622-K660 HydrophobicContact CG1-CB 4.36Å; I622-K660 HydrophobicContact CG1-CD 3.98Å; V655-K660 HydrophobicContact CG1-CB 4.13Å; T656-K660 PolarHBondContact O-N 3.41Å; D657-K660 WeakPolarHBondContact O-CG 3.4Å; D657-K660 WeakPolarHBondContact OD1-CD 3.21Å; D657-K660 VanDerWaalsContact OD1-CE 3.26Å; D657-K660 WeakPolarHBondContact OD1-CE 3.35Å; D657-K660 IonicContact OD1-NZ 3.75Å; D657-K660 PolarHBondContact OD1-NZ 3.46Å; K660-Y663 WeakPolarHBondContact O-CB 3.45Å; K660-Y663 PolarHBondContact O-N 3.29Å; K660-I664 WeakPolarHBondContact O-CD1 2.94Å; K660-I664 VanDerWaalsContact O-CG1 3.24Å; K660-I664 WeakPolarHBondContact O-CG1 3.24Å; K660-I664 PolarHBondContact O-N 3.14Å
661A93.6Very high92.8Very high77 Ų7750.9 Ų50.964%0.63628%0.284SS*.Hα-helixtrans-63.6-41.6176.800000112.2N659 I664 D665N659-A661 PolarHBondContact O-N 3.42Å; N659-A661 VanDerWaalsContact O-N 3.15Å; A661-I664 PolarHBondContact O-N 3.05Å; A661-D665 PolarHBondContact O-N 3.33Å; A661-D665 VanDerWaalsContact O-N 3.12Å
662E95.3Very high92.6Very high89 Ų8948 Ų4842%0.41627%0.271SS..Hα-helixtrans-65.7-42.6174.3-172.3-162.6164.300110.6F631 K647 N659 I664 D665 L666F631-E662 HydrophobicContact CE1-CB 4.15Å; F631-E662 HydrophobicContact CE1-CG 3.96Å; F631-E662 HydrophobicContact CZ-CB 4.24Å; F631-E662 HydrophobicContact CZ-CG 4.44Å; K647-E662 WeakPolarHBondContact CD-OE1 3.48Å; K647-E662 IonicContact NZ-OE1 2.82Å; K647-E662 PolarHBondContact NZ-OE1 3Å; K647-E662 IonicContact NZ-OE2 2.82Å; K647-E662 PolarHBondContact NZ-OE2 2.78Å; N659-E662 WeakPolarHBondContact O-CB 3.47Å; N659-E662 PolarHBondContact O-N 2.91Å; N659-E662 VanDerWaalsContact O-N 3.08Å; E662-I664 PolarHBondContact O-N 3.3Å; E662-D665 PolarHBondContact O-N 3.13Å; E662-L666 HydrophobicContact CG-CD1 4.15Å; E662-L666 WeakPolarHBondContact O-CG 3.37Å; E662-L666 PolarHBondContact O-N 3.26Å
663Y94.7Very high92.3Very high11 Ų1142.6 Ų42.64%0.04325%0.245CC..Hα-helixtrans-58.6-46.5176173.5-102.2000111.7L614 I617 V629 Y630 F631 L646 V655 N659 K660 L666 M667L614-Y663 HydrophobicContact CD2-CE1 4.19Å; I617-Y663 HydrophobicContact CD1-CD1 4.49Å; I617-Y663 HydrophobicContact CD1-CE1 3.79Å; I617-Y663 HydrophobicContact CG2-CD1 4.43Å; V629-Y663 HydrophobicContact CG1-CE1 3.97Å; V629-Y663 HydrophobicContact CG1-CE2 3.84Å; V629-Y663 VanDerWaalsContact CG1-CZ 3.44Å; V629-Y663 VanDerWaalsContact CG1-OH 3.29Å; V629-Y663 WeakPolarHBondContact CG1-OH 3.36Å; Y630-Y663 VanDerWaalsContact O-CE2 3.32Å; Y630-Y663 WeakPolarHBondContact O-CE2 3.37Å; F631-Y663 HydrophobicContact CD1-CD2 4.34Å; F631-Y663 HydrophobicContact CG-CD2 4.4Å; L646-Y663 HydrophobicContact CD1-CD2 3.83Å; L646-Y663 HydrophobicContact CD1-CE2 3.68Å; V655-Y663 HydrophobicContact CG1-CD1 4.22Å; V655-Y663 HydrophobicContact CG1-CG 4.06Å; V655-Y663 HydrophobicContact CG2-CD1 4.3Å; V655-Y663 HydrophobicContact CG2-CD2 3.45Å; V655-Y663 VanDerWaalsContact CG2-CD2 3.45Å; V655-Y663 HydrophobicContact CG2-CE2 3.94Å; V655-Y663 HydrophobicContact CG2-CG 3.65Å; N659-Y663 PolarHBondContact O-N 3.49Å; K660-Y663 WeakPolarHBondContact O-CB 3.45Å; K660-Y663 PolarHBondContact O-N 3.29Å; Y663-L666 PolarHBondContact O-N 2.95Å; Y663-M667 HydrophobicContact CD1-CG 4.19Å; Y663-M667 HydrophobicContact CD2-CG 4.06Å; Y663-M667 HydrophobicContact CE1-CG 3.81Å; Y663-M667 HydrophobicContact CE2-CG 3.67Å; Y663-M667 HydrophobicContact CE2-SD 4.1Å; Y663-M667 HydrophobicContact CG-CG 4.31Å; Y663-M667 VanDerWaalsContact O-CB 3.25Å; Y663-M667 WeakPolarHBondContact O-CB 3.37Å; Y663-M667 WeakPolarHBondContact O-CG 3.47Å; Y663-M667 PolarHBondContact O-N 3.35Å; Y663-M667 WeakPolarHBondContact OH-CE 3.29Å
664I93.8Very high91.9Very high14 Ų1443.6 Ų43.67%0.07225%0.245CC..Hα-helixtrans-60.8-47.2178.4-69.2161.9000110.8L600 I617 Q618 K660 A661 E662 L666 M667 V668L600-I664 HydrophobicContact CD2-CG2 4.34Å; I617-I664 HydrophobicContact CG2-CD1 4.24Å; I617-I664 HydrophobicContact CG2-CG1 4.31Å; Q618-I664 HydrophobicContact CB-CD1 3.7Å; Q618-I664 HydrophobicContact CG-CD1 4.1Å; K660-I664 WeakPolarHBondContact O-CD1 2.94Å; K660-I664 VanDerWaalsContact O-CG1 3.24Å; K660-I664 WeakPolarHBondContact O-CG1 3.24Å; K660-I664 PolarHBondContact O-N 3.14Å; A661-I664 PolarHBondContact O-N 3.05Å; E662-I664 PolarHBondContact O-N 3.3Å; I664-L666 PolarHBondContact O-N 3.46Å; I664-M667 PolarHBondContact O-N 2.71Å; I664-V668 HydrophobicContact CG2-CG2 4.22Å; I664-V668 WeakPolarHBondContact O-CG2 3.5Å; I664-V668 PolarHBondContact O-N 3.14Å
665D93.4Very high91.3Very high89 Ų8942.4 Ų42.448%0.47625%0.25SC..Hα-helixtrans-61.9-44.3179.8-175.456.7000112.3A661 E662 M667 V668 N669A661-D665 PolarHBondContact O-N 3.33Å; A661-D665 VanDerWaalsContact O-N 3.12Å; E662-D665 PolarHBondContact O-N 3.13Å; D665-M667 VanDerWaalsContact C-N 3.35Å; D665-M667 PolarHBondContact O-N 3.08Å; D665-V668 PolarHBondContact O-N 3.23Å; D665-N669 PolarHBondContact O-N 3.04Å; D665-N669 PolarHBondContact O-ND2 3.47Å; D665-N669 PolarHBondContact OD1-ND2 3.49Å
666L94.1Very high91.2Very high43 Ų4343 Ų4323%0.22525%0.254CS..Hα-helixtrans-64.5-40.1176.1-69.3172.4000112F631 L646 K647 E662 Y663 I664 N669 W670F631-L666 HydrophobicContact CD1-CD1 3.74Å; F631-L666 HydrophobicContact CE1-CD1 3.85Å; L646-L666 HydrophobicContact CB-CB 4.09Å; L646-L666 HydrophobicContact CB-CD1 4.15Å; L646-L666 HydrophobicContact CD1-CB 4.43Å; K647-L666 HydrophobicContact CB-CD1 4.18Å; K647-L666 HydrophobicContact CD-CD1 4.24Å; E662-L666 HydrophobicContact CG-CD1 4.15Å; E662-L666 WeakPolarHBondContact O-CG 3.37Å; E662-L666 PolarHBondContact O-N 3.26Å; Y663-L666 PolarHBondContact O-N 2.95Å; I664-L666 PolarHBondContact O-N 3.46Å; L666-N669 PolarHBondContact O-N 2.67Å; L666-W670 WeakPolarHBondContact O-CB 3.22Å; L666-W670 PolarHBondContact O-N 2.98Å
667M92.6Very high91.1Very high3 Ų344.4 Ų44.42%0.01526%0.257CS..Hα-helixtrans-65-37.8176.8-79.5-70.6-77.500112.9Y610 L614 M633 L646 Y663 I664 D665 R671Y610-M667 HydrophobicContact CE1-CE 4.44Å; Y610-M667 HydrophobicContact CE2-CE 3.96Å; Y610-M667 WeakPolarHBondContact OH-CE 3.27Å; Y610-M667 PolarHBondContact OH-O 2.75Å; L614-M667 HydrophobicContact CD1-CB 4.14Å; L614-M667 HydrophobicContact CD2-CB 4Å; L614-M667 HydrophobicContact CD2-CE 4.11Å; L614-M667 HydrophobicContact CD2-CG 4.28Å; M633-M667 HydrophobicContact CB-SD 4.38Å; M633-M667 HydrophobicContact CE-CE 3.15Å; M633-M667 HydrophobicContact CE-SD 3.94Å; L646-M667 HydrophobicContact CD1-CG 3.74Å; L646-M667 HydrophobicContact CD1-SD 3.66Å; L646-M667 HydrophobicContact CD2-SD 4.15Å; Y663-M667 HydrophobicContact CD1-CG 4.19Å; Y663-M667 HydrophobicContact CD2-CG 4.06Å; Y663-M667 HydrophobicContact CE1-CG 3.81Å; Y663-M667 HydrophobicContact CE2-CG 3.67Å; Y663-M667 HydrophobicContact CE2-SD 4.1Å; Y663-M667 HydrophobicContact CG-CG 4.31Å; Y663-M667 VanDerWaalsContact O-CB 3.25Å; Y663-M667 WeakPolarHBondContact O-CB 3.37Å; Y663-M667 WeakPolarHBondContact O-CG 3.47Å; Y663-M667 PolarHBondContact O-N 3.35Å; Y663-M667 WeakPolarHBondContact OH-CE 3.29Å; I664-M667 PolarHBondContact O-N 2.71Å; D665-M667 VanDerWaalsContact C-N 3.35Å; D665-M667 PolarHBondContact O-N 3.08Å; M667-R671 WeakPolarHBondContact O-CB 3.43Å; M667-R671 PolarHBondContact O-N 3.39Å
668V92.4Very high91.2Very high2 Ų246.8 Ų46.81%0.01227%0.27CS..Hα-helixtrans-64.3-53.7174.9172.30000110.2I598 L600 I603 L614 I664 D665 W670 R671 F672I598-V668 HydrophobicContact CB-CG1 4.49Å; I598-V668 HydrophobicContact CG2-CG1 4.1Å; L600-V668 HydrophobicContact CB-CG2 4.34Å; L600-V668 HydrophobicContact CD1-CG2 4.4Å; I603-V668 HydrophobicContact CD1-CB 4.02Å; I603-V668 HydrophobicContact CD1-CG1 4.17Å; I603-V668 HydrophobicContact CD1-CG2 3.51Å; I603-V668 HydrophobicContact CG1-CG1 4.27Å; I603-V668 HydrophobicContact CG1-CG2 4.34Å; L614-V668 HydrophobicContact CD1-CG2 4.34Å; I664-V668 HydrophobicContact CG2-CG2 4.22Å; I664-V668 WeakPolarHBondContact O-CG2 3.5Å; I664-V668 PolarHBondContact O-N 3.14Å; D665-V668 PolarHBondContact O-N 3.23Å; V668-W670 VanDerWaalsContact C-N 3.29Å; V668-W670 PolarHBondContact O-N 3.09Å; V668-R671 PolarHBondContact O-N 3.44Å; V668-F672 HydrophobicContact CG1-CD2 4.43Å; V668-F672 WeakPolarHBondContact O-CD2 3.34Å; V668-F672 PolarHBondContact O-N 2.82Å
669N90.7Very high91.2Very high62 Ų6242.5 Ų42.533%0.33223%0.233SC..Hα-helixtrans-59.7-40.8179.1-75.2-55.1000112D665 L666 S673D665-N669 PolarHBondContact O-N 3.04Å; D665-N669 PolarHBondContact O-ND2 3.47Å; D665-N669 PolarHBondContact OD1-ND2 3.49Å; L666-N669 PolarHBondContact O-N 2.67Å; N669-S673 VanDerWaalsContact O-CB 3.29Å; N669-S673 WeakPolarHBondContact O-CB 3.17Å; N669-S673 PolarHBondContact O-N 2.76Å; N669-S673 VanDerWaalsContact O-N 3.08Å; N669-S673 PolarHBondContact O-OG 3.12Å
670W90.5Very high91.2Very high18 Ų1841.5 Ų41.57%0.06823%0.228CC..Hα-helixtrans-65.3-43.5176.9179.481.6000112.4M633 Y635 H644 L646 L666 V668 F672 S673 R674M633-W670 HydrophobicContact CB-CH2 4.07Å; M633-W670 HydrophobicContact CB-CZ2 4.34Å; M633-W670 HydrophobicContact CB-CZ3 4.22Å; M633-W670 HydrophobicContact CG-CE3 4.28Å; M633-W670 HydrophobicContact CG-CH2 3.32Å; M633-W670 HydrophobicContact CG-CZ2 4.02Å; M633-W670 HydrophobicContact CG-CZ3 3.48Å; M633-W670 VanDerWaalsContact CG-CZ3 3.48Å; Y635-W670 AromaticContact CD1-CZ2 3.82Å; Y635-W670 HydrophobicContact CD1-CZ2 3.82Å; Y635-W670 HydrophobicContact CG-CH2 4.32Å; Y635-W670 AromaticContact CG-CZ2 3.89Å; Y635-W670 HydrophobicContact CG-CZ2 3.89Å; H644-W670 AromaticContact CD2-CD1 3.19Å; H644-W670 AromaticContact CD2-NE1 3.18Å; H644-W670 PolarHBondContact CD2-NE1 3Å; H644-W670 AromaticContact CG-CD1 3.93Å; H644-W670 AromaticContact CG-NE1 3.44Å; H644-W670 AromaticContact NE2-CD1 3.47Å; H644-W670 AromaticContact NE2-NE1 3.78Å; L646-W670 HydrophobicContact CD2-CB 3.79Å; L646-W670 HydrophobicContact CD2-CD2 4.41Å; L646-W670 HydrophobicContact CD2-CG 3.88Å; L666-W670 WeakPolarHBondContact O-CB 3.22Å; L666-W670 PolarHBondContact O-N 2.98Å; V668-W670 VanDerWaalsContact C-N 3.29Å; V668-W670 PolarHBondContact O-N 3.09Å; W670-F672 VanDerWaalsContact C-N 3.26Å; W670-F672 PolarHBondContact O-N 3.35Å; W670-S673 PolarHBondContact O-N 3.32Å; W670-S673 VanDerWaalsContact O-N 3.15Å; W670-R674 HydrophobicContact CD2-CB 4.36Å; W670-R674 VanDerWaalsContact CH2-NH1 3.27Å; W670-R674 HydrophobicContact CZ2-CB 4.28Å; W670-R674 VanDerWaalsContact O-CB 3.29Å; W670-R674 WeakPolarHBondContact O-CB 3.37Å; W670-R674 WeakPolarHBondContact O-CG 3.32Å; W670-R674 PolarHBondContact O-N 2.99Å
671R89.4Confident91.3Very high29 Ų2942.7 Ų42.711%0.10924%0.236CC..Hα-helixtrans-58.8-35.4179.9175.858.5-174.777.21.1113.2D607 Y610 M667 V668D607-R671 IonicContact OD2-CZ 2.7Å; D607-R671 IonicContact OD2-NE 3.9Å; D607-R671 PolarHBondContact OD2-NE 3.43Å; D607-R671 IonicContact OD2-NH2 2.72Å; D607-R671 PolarHBondContact OD2-NH2 3.4Å; Y610-R671 HydrophobicContact CD1-CB 4.46Å; Y610-R671 HydrophobicContact CD1-CG 4.09Å; Y610-R671 HydrophobicContact CE1-CB 3.73Å; Y610-R671 HydrophobicContact CE1-CG 3.85Å; M667-R671 WeakPolarHBondContact O-CB 3.43Å; M667-R671 PolarHBondContact O-N 3.39Å; V668-R671 PolarHBondContact O-N 3.44Å
672F88Confident91.5Very high37 Ų3739.8 Ų39.816%0.16221%0.212CC..Hα-helixtrans-88.3-18.9178.5-77.7-75.6000114.2P588 I598 D602 I603 V606 V668 W670 V676P588-F672 HydrophobicContact CB-CD1 3.97Å; P588-F672 HydrophobicContact CB-CE1 3.35Å; P588-F672 HydrophobicContact CB-CZ 3.67Å; P588-F672 HydrophobicContact CG-CE1 3.71Å; P588-F672 HydrophobicContact CG-CZ 3.72Å; I598-F672 HydrophobicContact CB-CD2 4.45Å; I598-F672 HydrophobicContact CD1-CB 3.94Å; I598-F672 HydrophobicContact CD1-CD2 4.35Å; I598-F672 HydrophobicContact CD1-CG 4.06Å; I598-F672 HydrophobicContact CG2-CD2 3.41Å; I598-F672 VanDerWaalsContact CG2-CD2 3.41Å; I598-F672 HydrophobicContact CG2-CE2 3.38Å; I598-F672 HydrophobicContact CG2-CG 4.11Å; I598-F672 HydrophobicContact CG2-CZ 4.1Å; D602-F672 HydrophobicContact CB-CE2 4.24Å; D602-F672 HydrophobicContact CB-CZ 4.21Å; I603-F672 HydrophobicContact CG1-CD2 4.47Å; I603-F672 HydrophobicContact CG1-CE2 3.67Å; I603-F672 HydrophobicContact CG1-CZ 4.42Å; V606-F672 HydrophobicContact CG1-CE1 4.17Å; V606-F672 HydrophobicContact CG2-CE1 3.78Å; V606-F672 HydrophobicContact CG2-CZ 3.6Å; V668-F672 HydrophobicContact CG1-CD2 4.43Å; V668-F672 WeakPolarHBondContact O-CD2 3.34Å; V668-F672 PolarHBondContact O-N 2.82Å; W670-F672 VanDerWaalsContact C-N 3.26Å; W670-F672 PolarHBondContact O-N 3.35Å; F672-V676 WeakPolarHBondContact O-CG2 3.24Å
673S86.9Confident91.5Very high31 Ų3135.6 Ų35.622%0.21719%0.192CC..Hα-helixtrans-97.1-30-179.6-54.90000112.8N669 W670 G675 V676 E677N669-S673 VanDerWaalsContact O-CB 3.29Å; N669-S673 WeakPolarHBondContact O-CB 3.17Å; N669-S673 PolarHBondContact O-N 2.76Å; N669-S673 VanDerWaalsContact O-N 3.08Å; N669-S673 PolarHBondContact O-OG 3.12Å; W670-S673 PolarHBondContact O-N 3.32Å; W670-S673 VanDerWaalsContact O-N 3.15Å; S673-G675 PolarHBondContact O-N 2.91Å; S673-V676 WeakPolarHBondContact O-CG2 3.4Å; S673-V676 PolarHBondContact O-N 3.3Å; S673-E677 WeakPolarHBondContact O-CG 3.28Å
674R83.9Confident91.6Very high79 Ų7936.3 Ų36.330%0.29820%0.197SC..THydrogen-bonded Turntrans-54.9123.5-172.669.1-176.8-169.8177.92.4112.3W670 V676W670-R674 HydrophobicContact CD2-CB 4.36Å; W670-R674 VanDerWaalsContact CH2-NH1 3.27Å; W670-R674 HydrophobicContact CZ2-CB 4.28Å; W670-R674 VanDerWaalsContact O-CB 3.29Å; W670-R674 WeakPolarHBondContact O-CB 3.37Å; W670-R674 WeakPolarHBondContact O-CG 3.32Å; W670-R674 PolarHBondContact O-N 2.99Å; R674-V676 PolarHBondContact O-N 3.33Å; R674-V676 VanDerWaalsContact O-N 3.11Å
675G81.6Confident91.7Very high47 Ų4738.8 Ų38.849%0.48521%0.213SC..THydrogen-bonded Turntrans68.53.6174.500000116.2P552 S673 Q679P552-G675 WeakPolarHBondContact CA-O 3.35Å; S673-G675 PolarHBondContact O-N 2.91Å; G675-Q679 PolarHBondContact O-NE2 3Å; G675-Q679 PolarHBondContact O-OE1 3.04Å
676V89.9Confident91.9Very high16 Ų1634.6 Ų34.610%0.09719%0.19CC..THydrogen-bonded Turntrans-124.53-175.9-59.60000114.1I550 P552 F672 S673 R674 Q679 T680I550-V676 HydrophobicContact CB-CB 4.16Å; I550-V676 HydrophobicContact CB-CG1 3.88Å; I550-V676 HydrophobicContact CG2-CB 3.88Å; I550-V676 HydrophobicContact CG2-CG1 3.62Å; P552-V676 HydrophobicContact CB-CG1 4.29Å; P552-V676 HydrophobicContact CG-CG1 3.99Å; F672-V676 WeakPolarHBondContact O-CG2 3.24Å; S673-V676 WeakPolarHBondContact O-CG2 3.4Å; S673-V676 PolarHBondContact O-N 3.3Å; R674-V676 PolarHBondContact O-N 3.33Å; R674-V676 VanDerWaalsContact O-N 3.11Å; V676-Q679 PolarHBondContact O-OE1 3.38Å; V676-T680 WeakPolarHBondContact O-CB 3.48Å; V676-T680 PolarHBondContact O-N 3Å; V676-T680 PolarHBondContact O-OG1 2.88Å
677E90.4Very high92Very high69 Ų6932.5 Ų32.532%0.32218%0.179SC..Hα-helixtrans-66.3-45.5-172.8-51.2-170.110700112.8R163 S673 Q679 T680 N681R163-E677 IonicContact CZ-OE1 2.88Å; R163-E677 IonicContact CZ-OE2 3.05Å; R163-E677 IonicContact NH1-OE1 3.17Å; R163-E677 PolarHBondContact NH1-OE1 3.41Å; R163-E677 IonicContact NH2-OE1 3.46Å; R163-E677 PolarHBondContact NH2-OE1 3.43Å; R163-E677 IonicContact NH2-OE2 3.05Å; R163-E677 PolarHBondContact NH2-OE2 2.84Å; S673-E677 WeakPolarHBondContact O-CG 3.28Å; E677-Q679 VanDerWaalsContact C-N 3.33Å; E677-Q679 PolarHBondContact O-N 3.11Å; E677-T680 PolarHBondContact O-N 3.35Å; E677-N681 WeakPolarHBondContact O-CB 3.18Å; E677-N681 PolarHBondContact O-N 3.41Å; E677-N681 PolarHBondContact O-ND2 3.47Å; E677-N681 VanDerWaalsContact O-ND2 3.08Å
678D93.2Very high92.1Very high105 Ų10536.8 Ų36.856%0.56120%0.199SC*.Hα-helixtrans-66.4-39.9-179.6-66.8-31000111L561 N681 A682L561-D678 HydrophobicContact CD2-CB 3.84Å; D678-N681 PolarHBondContact O-N 2.99Å; D678-A682 VanDerWaalsContact O-CB 3.31Å; D678-A682 WeakPolarHBondContact O-CB 3.48Å; D678-A682 PolarHBondContact O-N 3.3Å
679Q94.3Very high92.3Very high8 Ų837.7 Ų37.74%0.03720%0.204CC..Hα-helixtrans-62.3-46.3174.9-6088.9-28.800111I550 S554 L561 F564 G675 V676 E677 A682 F683I550-Q679 HydrophobicContact CD1-CB 4Å; I550-Q679 HydrophobicContact CG2-CB 3.67Å; I550-Q679 HydrophobicContact CG2-CG 3.83Å; S554-Q679 WeakPolarHBondContact OG-CG 3.46Å; S554-Q679 PolarHBondContact OG-NE2 3.42Å; L561-Q679 HydrophobicContact CD2-CG 4.37Å; F564-Q679 WeakPolarHBondContact CB-O 3.37Å; F564-Q679 HydrophobicContact CD1-CB 4.26Å; F564-Q679 HydrophobicContact CD2-CB 3.5Å; F564-Q679 VanDerWaalsContact CD2-CB 3.5Å; F564-Q679 HydrophobicContact CD2-CG 3.53Å; F564-Q679 HydrophobicContact CE1-CB 4.29Å; F564-Q679 HydrophobicContact CE2-CB 3.57Å; F564-Q679 HydrophobicContact CE2-CG 3.25Å; F564-Q679 HydrophobicContact CG-CB 3.9Å; F564-Q679 HydrophobicContact CG-CG 4.41Å; F564-Q679 HydrophobicContact CZ-CB 3.97Å; F564-Q679 HydrophobicContact CZ-CG 3.91Å; G675-Q679 PolarHBondContact O-NE2 3Å; G675-Q679 PolarHBondContact O-OE1 3.04Å; V676-Q679 PolarHBondContact O-OE1 3.38Å; E677-Q679 VanDerWaalsContact C-N 3.33Å; E677-Q679 PolarHBondContact O-N 3.11Å; Q679-A682 PolarHBondContact O-N 2.79Å; Q679-F683 WeakPolarHBondContact O-CB 3.37Å; Q679-F683 PolarHBondContact O-N 3.08Å
680T93.9Very high92.5Very high12 Ų1234.7 Ų34.77%0.07419%0.188CC..Hα-helixtrans-63.7-44.7177.6-57.80000110.5R592 V676 E677 A682 F683 L684R592-T680 HydrophobicContact CG-CG2 4.11Å; V676-T680 WeakPolarHBondContact O-CB 3.48Å; V676-T680 PolarHBondContact O-N 3Å; V676-T680 PolarHBondContact O-OG1 2.88Å; E677-T680 PolarHBondContact O-N 3.35Å; T680-A682 PolarHBondContact O-N 3.48Å; T680-F683 WeakPolarHBondContact O-CB 3.4Å; T680-F683 PolarHBondContact O-N 3.32Å; T680-L684 HydrophobicContact CG2-CD1 4.06Å; T680-L684 HydrophobicContact CG2-CG 4.37Å; T680-L684 VanDerWaalsContact O-CG 3.28Å; T680-L684 WeakPolarHBondContact O-CG 3.39Å; T680-L684 PolarHBondContact O-N 3.29Å
681N95.1Very high92.7Very high56 Ų5633.9 Ų33.930%0.29919%0.185SC..Hα-helixtrans-63.8-41.4177.4-68.9-30.9000111.8E677 D678 L684 T685E677-N681 WeakPolarHBondContact O-CB 3.18Å; E677-N681 PolarHBondContact O-N 3.41Å; E677-N681 PolarHBondContact O-ND2 3.47Å; E677-N681 VanDerWaalsContact O-ND2 3.08Å; D678-N681 PolarHBondContact O-N 2.99Å; N681-L684 PolarHBondContact O-N 3.19Å; N681-T685 WeakPolarHBondContact O-CB 3.42Å; N681-T685 PolarHBondContact O-N 3.01Å; N681-T685 PolarHBondContact O-OG1 2.93Å
682A97.3Very high92.7Very high16 Ų1634.7 Ų34.713%0.13219%0.194CC..Hα-helixtrans-63.1-43.4175.700000111.5L561 F564 R565 D678 Q679 T680 T685 G686L561-A682 HydrophobicContact CB-CB 4.21Å; L561-A682 HydrophobicContact CD2-CB 4.34Å; L561-A682 WeakPolarHBondContact O-CB 3.41Å; F564-A682 HydrophobicContact CB-CB 3.98Å; R565-A682 VanDerWaalsContact CA-O 3.26Å; R565-A682 WeakPolarHBondContact CA-O 3.39Å; D678-A682 VanDerWaalsContact O-CB 3.31Å; D678-A682 WeakPolarHBondContact O-CB 3.48Å; D678-A682 PolarHBondContact O-N 3.3Å; Q679-A682 PolarHBondContact O-N 2.79Å; T680-A682 PolarHBondContact O-N 3.48Å; A682-T685 PolarHBondContact O-N 2.85Å; A682-G686 PolarHBondContact O-N 3.19Å
683F96.2Very high92.8Very high1 Ų134.6 Ų34.60%0.00420%0.195CC..Hα-helixtrans-58.2-51.6172.7172.9-86000112F564 V567 G568 I571 F585 F589 M593 Q679 T680 T685 G686 F687F564-F683 HydrophobicContact CB-CB 4.42Å; F564-F683 VanDerWaalsContact O-CA 3.32Å; F564-F683 WeakPolarHBondContact O-CA 3.45Å; V567-F683 HydrophobicContact CB-CD2 4.3Å; V567-F683 HydrophobicContact CG1-CD2 3.95Å; V567-F683 HydrophobicContact CG1-CE2 3.9Å; G568-F683 VanDerWaalsContact CA-O 3.28Å; G568-F683 WeakPolarHBondContact CA-O 3.12Å; I571-F683 HydrophobicContact CB-CE2 4.37Å; I571-F683 HydrophobicContact CB-CZ 4.36Å; I571-F683 HydrophobicContact CG1-CE2 4.01Å; I571-F683 HydrophobicContact CG1-CZ 4.37Å; I571-F683 HydrophobicContact CG2-CZ 4.46Å; F585-F683 HydrophobicContact CE2-CE2 4.44Å; F585-F683 HydrophobicContact CE2-CZ 4.48Å; F585-F683 HydrophobicContact CZ-CE2 4.27Å; F589-F683 HydrophobicContact CE1-CD1 4.43Å; F589-F683 AromaticContact CE1-CE1 3.84Å; F589-F683 HydrophobicContact CE1-CE1 3.84Å; F589-F683 HydrophobicContact CE1-CE2 4.3Å; F589-F683 AromaticContact CE1-CZ 3.76Å; F589-F683 HydrophobicContact CE1-CZ 3.76Å; F589-F683 AromaticContact CZ-CD1 3.82Å; F589-F683 HydrophobicContact CZ-CD1 3.82Å; F589-F683 HydrophobicContact CZ-CD2 4.24Å; F589-F683 AromaticContact CZ-CE1 3.7Å; F589-F683 HydrophobicContact CZ-CE1 3.7Å; F589-F683 HydrophobicContact CZ-CE2 4.1Å; F589-F683 HydrophobicContact CZ-CG 4.11Å; F589-F683 AromaticContact CZ-CZ 3.84Å; F589-F683 HydrophobicContact CZ-CZ 3.84Å; M593-F683 HydrophobicContact CE-CE1 3.9Å; M593-F683 HydrophobicContact CE-CZ 4.09Å; M593-F683 HydrophobicContact CG-CE1 3.94Å; M593-F683 HydrophobicContact SD-CE1 3.7Å; M593-F683 HydrophobicContact SD-CZ 3.93Å; Q679-F683 WeakPolarHBondContact O-CB 3.37Å; Q679-F683 PolarHBondContact O-N 3.08Å; T680-F683 WeakPolarHBondContact O-CB 3.4Å; T680-F683 PolarHBondContact O-N 3.32Å; F683-T685 VanDerWaalsContact C-N 3.32Å; F683-T685 PolarHBondContact O-N 3.23Å; F683-G686 PolarHBondContact O-N 2.98Å; F683-G686 VanDerWaalsContact O-N 3.14Å; F683-F687 HydrophobicContact CE1-CD2 4.33Å; F683-F687 HydrophobicContact CZ-CD2 4.28Å; F683-F687 PolarHBondContact O-N 3.45Å
684L95.4Very high92.8Very high25 Ų2537.5 Ų37.513%0.13121%0.205CC..Hα-helixtrans-63.1-38.8-179.8-64.8173.8000111.5M593 T680 N681 G686 F687 E688 L693M593-L684 HydrophobicContact CB-CD2 4.47Å; M593-L684 HydrophobicContact CG-CD2 4.11Å; T680-L684 HydrophobicContact CG2-CD1 4.06Å; T680-L684 HydrophobicContact CG2-CG 4.37Å; T680-L684 VanDerWaalsContact O-CG 3.28Å; T680-L684 WeakPolarHBondContact O-CG 3.39Å; T680-L684 PolarHBondContact O-N 3.29Å; N681-L684 PolarHBondContact O-N 3.19Å; L684-G686 VanDerWaalsContact C-N 3.34Å; L684-G686 PolarHBondContact O-N 3.45Å; L684-F687 WeakPolarHBondContact O-CB 3.49Å; L684-F687 PolarHBondContact O-N 3.32Å; L684-E688 WeakPolarHBondContact O-CG 3.47Å; L684-E688 PolarHBondContact O-N 3.01Å; L684-L693 HydrophobicContact CB-CD1 4.48Å; L684-L693 HydrophobicContact CD2-CD1 3.86Å; L684-L693 HydrophobicContact CD2-CD2 4.4Å
685T96.4Very high93Very high67 Ų6734.5 Ų34.541%0.41119%0.194SC..Hα-helixtrans-60.3-43.9173.9-57.80000111.4N681 A682 F683 F687 E688 D689N681-T685 WeakPolarHBondContact O-CB 3.42Å; N681-T685 PolarHBondContact O-N 3.01Å; N681-T685 PolarHBondContact O-OG1 2.93Å; A682-T685 PolarHBondContact O-N 2.85Å; F683-T685 VanDerWaalsContact C-N 3.32Å; F683-T685 PolarHBondContact O-N 3.23Å; T685-F687 VanDerWaalsContact C-N 3.31Å; T685-E688 PolarHBondContact O-N 3Å; T685-D689 PolarHBondContact O-N 3.45Å
686G97Very high93.3Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-65.4-35.717600000113R565 G568 R569 A682 F683 L684 D689R565-G686 WeakPolarHBondContact O-CA 3.49Å; G568-G686 VanDerWaalsContact C-C 3.5Å; R569-G686 WeakPolarHBondContact CA-O 3.45Å; R569-G686 WeakPolarHBondContact CG-O 3.29Å; R569-G686 PolarHBondContact N-O 3.08Å; A682-G686 PolarHBondContact O-N 3.19Å; F683-G686 PolarHBondContact O-N 2.98Å; F683-G686 VanDerWaalsContact O-N 3.14Å; L684-G686 VanDerWaalsContact C-N 3.34Å; L684-G686 PolarHBondContact O-N 3.45Å; G686-D689 WeakPolarHBondContact O-CB 3.5Å; G686-D689 PolarHBondContact O-N 3.24Å
687F96.2Very high92.9Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-64.4-48.3175.7-164.3-77.3000111.1G568 I571 A572 L575 M593 F683 L684 T685 D689 V690 F691 L693 L696G568-F687 WeakPolarHBondContact O-CA 3.45Å; I571-F687 HydrophobicContact CG2-CD2 4.43Å; I571-F687 HydrophobicContact CG2-CE2 4.01Å; A572-F687 HydrophobicContact CB-CB 4.46Å; A572-F687 HydrophobicContact CB-CD1 4.08Å; A572-F687 HydrophobicContact CB-CD2 3.76Å; A572-F687 HydrophobicContact CB-CE1 4.21Å; A572-F687 HydrophobicContact CB-CE2 3.9Å; A572-F687 HydrophobicContact CB-CG 3.85Å; A572-F687 HydrophobicContact CB-CZ 4.12Å; L575-F687 HydrophobicContact CD1-CE2 3.86Å; L575-F687 HydrophobicContact CD1-CZ 3.61Å; M593-F687 HydrophobicContact CE-CD2 3.77Å; M593-F687 HydrophobicContact CE-CE2 3.41Å; M593-F687 VanDerWaalsContact CE-CE2 3.41Å; M593-F687 HydrophobicContact CE-CZ 3.98Å; F683-F687 HydrophobicContact CE1-CD2 4.33Å; F683-F687 HydrophobicContact CZ-CD2 4.28Å; F683-F687 PolarHBondContact O-N 3.45Å; L684-F687 WeakPolarHBondContact O-CB 3.49Å; L684-F687 PolarHBondContact O-N 3.32Å; T685-F687 VanDerWaalsContact C-N 3.31Å; F687-D689 VanDerWaalsContact C-N 3.27Å; F687-D689 PolarHBondContact O-N 2.72Å; F687-V690 PolarHBondContact O-N 3.08Å; F687-F691 HydrophobicContact CE1-CD2 4.16Å; F687-F691 HydrophobicContact CE1-CE1 4.28Å; F687-F691 AromaticContact CE1-CE2 3.45Å; F687-F691 HydrophobicContact CE1-CE2 3.45Å; F687-F691 VanDerWaalsContact CE1-CE2 3.45Å; F687-F691 AromaticContact CE1-CZ 3.52Å; F687-F691 HydrophobicContact CE1-CZ 3.52Å; F687-F691 HydrophobicContact CZ-CE1 4.33Å; F687-F691 AromaticContact CZ-CE2 3.88Å; F687-F691 HydrophobicContact CZ-CE2 3.88Å; F687-F691 AromaticContact CZ-CZ 3.52Å; F687-F691 HydrophobicContact CZ-CZ 3.52Å; F687-F691 PolarHBondContact O-N 2.82Å; F687-L693 HydrophobicContact CD1-CD2 3.6Å; F687-L693 HydrophobicContact CD1-CG 4.05Å; F687-L693 HydrophobicContact CE1-CD2 3.68Å; F687-L693 HydrophobicContact CE1-CG 4.39Å; F687-L693 HydrophobicContact CG-CD2 4.23Å; F687-L693 HydrophobicContact CZ-CD2 4.37Å; F687-L696 HydrophobicContact CE1-CD1 4.06Å; F687-L696 HydrophobicContact CZ-CD1 3.7Å
688E95.4Very high92.4Very high93 Ų9332.3 Ų32.344%0.43517%0.169SC..Hα-helixtrans-67.1-22.4178.7-70.9-173.8156.900113.9L684 T685 V690 F691 L693L684-E688 WeakPolarHBondContact O-CG 3.47Å; L684-E688 PolarHBondContact O-N 3.01Å; T685-E688 PolarHBondContact O-N 3Å; E688-V690 PolarHBondContact O-N 3.19Å; E688-F691 WeakPolarHBondContact CA-O 3.47Å; E688-L693 HydrophobicContact CG-CD1 4.21Å; E688-L693 HydrophobicContact CG-CG 4.24Å
689D96.2Very high92.1Very high20 Ų2027.5 Ų27.511%0.10714%0.143CC..Hα-helixtrans-57.1-31.1169.6-75.7-35000111.2P496 L499 R565 R569 T685 G686 F687P496-D689 WeakPolarHBondContact CA-O 3.41Å; P496-D689 VanDerWaalsContact CB-O 3.27Å; P496-D689 WeakPolarHBondContact CB-O 3.36Å; P496-D689 HydrophobicContact CG-CB 4.32Å; L499-D689 HydrophobicContact CD1-CB 4.12Å; R565-D689 IonicContact CZ-OD2 3.41Å; R565-D689 VanDerWaalsContact CZ-OD2 3.28Å; R565-D689 IonicContact NE-OD2 3.63Å; R565-D689 PolarHBondContact NE-OD2 3.36Å; R565-D689 IonicContact NH2-OD1 3.34Å; R565-D689 PolarHBondContact NH2-OD1 2.87Å; R565-D689 IonicContact NH2-OD2 3.47Å; R565-D689 PolarHBondContact NH2-OD2 2.91Å; R569-D689 HydrophobicContact CG-CB 4.2Å; R569-D689 IonicContact CZ-OD2 2.71Å; R569-D689 VanDerWaalsContact CZ-OD2 3.25Å; R569-D689 IonicContact NE-OD2 3.26Å; R569-D689 PolarHBondContact NE-OD2 2.94Å; R569-D689 IonicContact NH2-OD1 2.84Å; R569-D689 IonicContact NH2-OD2 3.88Å; R569-D689 PolarHBondContact NH2-OD2 2.88Å; T685-D689 PolarHBondContact O-N 3.45Å; G686-D689 WeakPolarHBondContact O-CB 3.5Å; G686-D689 PolarHBondContact O-N 3.24Å; F687-D689 VanDerWaalsContact C-N 3.27Å; F687-D689 PolarHBondContact O-N 2.72Å
690V96.2Very high91.8Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-90.6-58.3179-170.90000110.4L499 R500 R569 A572 L573 Y576 F687 E688L499-V690 HydrophobicContact CB-CG1 4.49Å; L499-V690 HydrophobicContact CB-CG2 4.11Å; L499-V690 HydrophobicContact CD1-CG2 3.87Å; R500-V690 PolarHBondContact NE-O 3.4Å; R500-V690 PolarHBondContact NH2-O 3.4Å; R569-V690 HydrophobicContact CB-CG2 4.38Å; R569-V690 HydrophobicContact CG-CG2 4.49Å; A572-V690 HydrophobicContact CB-CB 3.63Å; A572-V690 HydrophobicContact CB-CG1 4.23Å; A572-V690 HydrophobicContact CB-CG2 3.72Å; L573-V690 HydrophobicContact CD2-CG1 4.36Å; L573-V690 HydrophobicContact CG-CG2 4.23Å; Y576-V690 HydrophobicContact CD2-CG1 4.37Å; Y576-V690 HydrophobicContact CG-CG1 4.2Å; F687-V690 PolarHBondContact O-N 3.08Å; E688-V690 PolarHBondContact O-N 3.19Å
691F93.1Very high91.6Very high0 Ų027.4 Ų27.40%014%0.142CC..SBendtrans-152.6153.817565.5-96.8000111.9F461 A572 L575 Y576 F687 E688 W695 L696F461-F691 HydrophobicContact CE2-CD2 4.34Å; F461-F691 AromaticContact CE2-CE2 3.75Å; F461-F691 HydrophobicContact CE2-CE2 3.75Å; F461-F691 AromaticContact CE2-CZ 3.87Å; F461-F691 HydrophobicContact CE2-CZ 3.87Å; F461-F691 HydrophobicContact CZ-CE1 4.08Å; F461-F691 HydrophobicContact CZ-CE2 4.01Å; F461-F691 AromaticContact CZ-CZ 3.63Å; F461-F691 HydrophobicContact CZ-CZ 3.63Å; A572-F691 HydrophobicContact CB-CD1 4.28Å; A572-F691 HydrophobicContact CB-CE1 3.89Å; A572-F691 WeakPolarHBondContact O-CE1 3.45Å; L575-F691 HydrophobicContact CB-CE1 4.11Å; L575-F691 HydrophobicContact CB-CZ 4Å; L575-F691 HydrophobicContact CD1-CZ 4.11Å; Y576-F691 HydrophobicContact CD2-CB 4.44Å; Y576-F691 AromaticContact CD2-CD1 3.72Å; Y576-F691 HydrophobicContact CD2-CD1 3.72Å; Y576-F691 HydrophobicContact CD2-CE1 4.43Å; Y576-F691 HydrophobicContact CD2-CG 4.39Å; Y576-F691 HydrophobicContact CG-CD1 4.35Å; F687-F691 HydrophobicContact CE1-CD2 4.16Å; F687-F691 HydrophobicContact CE1-CE1 4.28Å; F687-F691 AromaticContact CE1-CE2 3.45Å; F687-F691 HydrophobicContact CE1-CE2 3.45Å; F687-F691 VanDerWaalsContact CE1-CE2 3.45Å; F687-F691 AromaticContact CE1-CZ 3.52Å; F687-F691 HydrophobicContact CE1-CZ 3.52Å; F687-F691 HydrophobicContact CZ-CE1 4.33Å; F687-F691 AromaticContact CZ-CE2 3.88Å; F687-F691 HydrophobicContact CZ-CE2 3.88Å; F687-F691 AromaticContact CZ-CZ 3.52Å; F687-F691 HydrophobicContact CZ-CZ 3.52Å; F687-F691 PolarHBondContact O-N 2.82Å; E688-F691 WeakPolarHBondContact CA-O 3.47Å; F691-W695 HydrophobicContact CB-CD2 4.28Å; F691-W695 HydrophobicContact CB-CE3 3.83Å; F691-W695 HydrophobicContact CB-CH2 4.26Å; F691-W695 HydrophobicContact CB-CZ3 3.82Å; F691-W695 HydrophobicContact CD2-CB 4.13Å; F691-W695 HydrophobicContact CD2-CD2 4.23Å; F691-W695 AromaticContact CD2-CE3 3.9Å; F691-W695 HydrophobicContact CD2-CE3 3.9Å; F691-W695 HydrophobicContact CD2-CG 4.37Å; F691-W695 HydrophobicContact CE2-CB 4.42Å; F691-W695 AromaticContact CG-CE3 3.98Å; F691-W695 HydrophobicContact CG-CE3 3.98Å; F691-W695 HydrophobicContact CG-CZ3 4.3Å; F691-L696 HydrophobicContact CE2-CD1 4.3Å; F691-L696 HydrophobicContact CE2-CD2 4.42Å; F691-L696 HydrophobicContact CE2-CG 4.12Å
692P90.9Very high91.2Very high47 Ų4726 Ų2631%0.30513%0.133SC..  trans-64.8139.6-178.2-19.532.4000112.9Q694 W695P692-Q694 PolarHBondContact O-N 3.23Å; P692-W695 PolarHBondContact O-N 3.06Å; P692-W695 VanDerWaalsContact O-N 3.1Å
693L89.4Confident90.8Very high34 Ų3425.5 Ų25.518%0.17813%0.128CC..G310 helixtrans-55.8-27.5177.1-75.2160.7000113.4L684 F687 E688 W695 L696L684-L693 HydrophobicContact CB-CD1 4.48Å; L684-L693 HydrophobicContact CD2-CD1 3.86Å; L684-L693 HydrophobicContact CD2-CD2 4.4Å; F687-L693 HydrophobicContact CD1-CD2 3.6Å; F687-L693 HydrophobicContact CD1-CG 4.05Å; F687-L693 HydrophobicContact CE1-CD2 3.68Å; F687-L693 HydrophobicContact CE1-CG 4.39Å; F687-L693 HydrophobicContact CG-CD2 4.23Å; F687-L693 HydrophobicContact CZ-CD2 4.37Å; E688-L693 HydrophobicContact CG-CD1 4.21Å; E688-L693 HydrophobicContact CG-CG 4.24Å; L693-W695 PolarHBondContact O-N 3.22Å; L693-W695 VanDerWaalsContact O-N 3.07Å; L693-L696 WeakPolarHBondContact O-CB 3.5Å; L693-L696 PolarHBondContact O-N 3.22Å
694Q86.8Confident90.6Very high92 Ų9225.5 Ų25.543%0.4313%0.128SC..G310 helixtrans-55-27.3177.6-163.169.823.500113.5P692 L696 Q697P692-Q694 PolarHBondContact O-N 3.23Å; Q694-L696 PolarHBondContact O-N 3.45Å; Q694-L696 VanDerWaalsContact O-N 3.15Å; Q694-Q697 VanDerWaalsContact O-CB 3.25Å; Q694-Q697 WeakPolarHBondContact O-CB 3.23Å; Q694-Q697 WeakPolarHBondContact O-CG 3.23Å; Q694-Q697 PolarHBondContact O-N 3.22Å; Q694-Q697 VanDerWaalsContact O-N 3.12Å
695W88.2Confident90.4Very high16 Ų1624.4 Ų24.46%0.06112%0.122CC..G310 helixtrans-64.4-18.2177.3-69.713.5000112.9F461 L464 N468 Y576 F691 P692 L693F461-W695 HydrophobicContact CD2-CB 4.19Å; F461-W695 HydrophobicContact CE2-CB 4.12Å; F461-W695 HydrophobicContact CE2-CE3 4.3Å; L464-W695 HydrophobicContact CB-CD2 4.01Å; L464-W695 HydrophobicContact CB-CE3 3.69Å; L464-W695 HydrophobicContact CB-CH2 4.15Å; L464-W695 HydrophobicContact CB-CZ2 4.42Å; L464-W695 HydrophobicContact CB-CZ3 3.77Å; L464-W695 HydrophobicContact CD1-CB 4.11Å; L464-W695 HydrophobicContact CD1-CD2 3.95Å; L464-W695 HydrophobicContact CD1-CE3 4.3Å; L464-W695 HydrophobicContact CD1-CG 3.87Å; N468-W695 HydrophobicContact CB-CH2 3.74Å; N468-W695 VanDerWaalsContact ND2-CH2 3.32Å; N468-W695 WeakPolarHBondContact ND2-CH2 3.27Å; Y576-W695 HydrophobicContact CD2-CZ3 4.42Å; Y576-W695 HydrophobicContact CE2-CZ3 4.05Å; F691-W695 HydrophobicContact CB-CD2 4.28Å; F691-W695 HydrophobicContact CB-CE3 3.83Å; F691-W695 HydrophobicContact CB-CH2 4.26Å; F691-W695 HydrophobicContact CB-CZ3 3.82Å; F691-W695 HydrophobicContact CD2-CB 4.13Å; F691-W695 HydrophobicContact CD2-CD2 4.23Å; F691-W695 AromaticContact CD2-CE3 3.9Å; F691-W695 HydrophobicContact CD2-CE3 3.9Å; F691-W695 HydrophobicContact CD2-CG 4.37Å; F691-W695 HydrophobicContact CE2-CB 4.42Å; F691-W695 AromaticContact CG-CE3 3.98Å; F691-W695 HydrophobicContact CG-CE3 3.98Å; F691-W695 HydrophobicContact CG-CZ3 4.3Å; P692-W695 PolarHBondContact O-N 3.06Å; P692-W695 VanDerWaalsContact O-N 3.1Å; L693-W695 PolarHBondContact O-N 3.22Å; L693-W695 VanDerWaalsContact O-N 3.07Å
696L88.6Confident90Very high1 Ų121.6 Ų21.61%0.00511%0.105CC..G310 helixtrans-96.22.2177.9-59.2177.3000113.9F461 L575 L594 F687 F691 L693 Q694 Y698 F699 L704 L707F461-L696 HydrophobicContact CD2-CD2 3.9Å; F461-L696 HydrophobicContact CE2-CD2 3.61Å; F461-L696 HydrophobicContact CE2-CG 4.49Å; F461-L696 HydrophobicContact CZ-CD2 4.08Å; L575-L696 HydrophobicContact CD1-CD1 4.24Å; L594-L696 HydrophobicContact CD2-CB 3.79Å; F687-L696 HydrophobicContact CE1-CD1 4.06Å; F687-L696 HydrophobicContact CZ-CD1 3.7Å; F691-L696 HydrophobicContact CE2-CD1 4.3Å; F691-L696 HydrophobicContact CE2-CD2 4.42Å; F691-L696 HydrophobicContact CE2-CG 4.12Å; L693-L696 WeakPolarHBondContact O-CB 3.5Å; L693-L696 PolarHBondContact O-N 3.22Å; Q694-L696 PolarHBondContact O-N 3.45Å; Q694-L696 VanDerWaalsContact O-N 3.15Å; L696-Y698 PolarHBondContact O-N 3.44Å; L696-F699 HydrophobicContact CB-CD2 4.33Å; L696-F699 HydrophobicContact CD2-CD2 4.01Å; L696-F699 HydrophobicContact CD2-CE2 4.15Å; L696-F699 PolarHBondContact O-N 3.01Å; L696-L704 HydrophobicContact CD1-CD1 3.86Å; L696-L704 HydrophobicContact CD1-CD2 4.39Å; L696-L704 HydrophobicContact CD2-CD1 4.24Å; L696-L707 HydrophobicContact CD2-CD2 4.39Å
697Q80.8Confident89.7Confident51 Ų5122 Ų2224%0.23811%0.107CC..THydrogen-bonded Turntrans-55.7-22.5-173.267.3-177.4-17.800115.7Y436 Q694Y436-Q697 PolarHBondContact OH-OE1 2.89Å; Q694-Q697 VanDerWaalsContact O-CB 3.25Å; Q694-Q697 WeakPolarHBondContact O-CB 3.23Å; Q694-Q697 WeakPolarHBondContact O-CG 3.23Å; Q694-Q697 PolarHBondContact O-N 3.22Å; Q694-Q697 VanDerWaalsContact O-N 3.12Å
698Y79.8Confident89.5Confident34 Ų3422.1 Ų22.113%0.13311%0.107CC..THydrogen-bonded Turntrans-85.4-19.1179.7-58.1-41000113.3Y436 W452 K457 L696Y436-Y698 AromaticContact CD1-CE1 3.69Å; Y436-Y698 HydrophobicContact CD1-CE1 3.69Å; Y436-Y698 AromaticContact CD1-CZ 3.79Å; Y436-Y698 WeakPolarHBondContact CD1-OH 3.47Å; Y436-Y698 AromaticContact CD2-CE1 3.71Å; Y436-Y698 HydrophobicContact CD2-CE1 3.71Å; Y436-Y698 HydrophobicContact CE1-CE1 4.44Å; Y436-Y698 HydrophobicContact CE2-CE1 4.46Å; Y436-Y698 HydrophobicContact CG-CD1 4.34Å; Y436-Y698 AromaticContact CG-CE1 3.27Å; Y436-Y698 HydrophobicContact CG-CE1 3.27Å; Y436-Y698 AromaticContact CG-CZ 3.87Å; W452-Y698 HydrophobicContact CE3-CD2 4.23Å; W452-Y698 HydrophobicContact CH2-CE2 4.27Å; W452-Y698 AromaticContact CZ3-CD2 3.94Å; W452-Y698 HydrophobicContact CZ3-CD2 3.94Å; W452-Y698 AromaticContact CZ3-CE2 3.93Å; W452-Y698 HydrophobicContact CZ3-CE2 3.93Å; K457-Y698 VanDerWaalsContact CD-O 3.27Å; K457-Y698 WeakPolarHBondContact CD-O 3.47Å; K457-Y698 WeakPolarHBondContact CE-O 3.46Å; K457-Y698 PolarHBondContact NZ-O 3.47Å; L696-Y698 PolarHBondContact O-N 3.44Å
699F86.7Confident89.2Confident4 Ų417.7 Ų17.72%0.0189%0.086CC..  trans-83.9141.2-179.1-61.4-83000109.9F454 K457 V458 F461 L594 L696 E703 L707F454-F699 HydrophobicContact CD2-CD1 4.2Å; F454-F699 HydrophobicContact CD2-CE1 4.11Å; F454-F699 HydrophobicContact CE2-CD1 4.03Å; F454-F699 AromaticContact CE2-CE1 3.9Å; F454-F699 HydrophobicContact CE2-CE1 3.9Å; K457-F699 HydrophobicContact CB-CD1 4.12Å; K457-F699 HydrophobicContact CB-CE1 3.55Å; K457-F699 HydrophobicContact CB-CE2 4.42Å; K457-F699 HydrophobicContact CB-CZ 3.73Å; K457-F699 HydrophobicContact CD-CD1 4.26Å; K457-F699 HydrophobicContact CD-CE1 4.5Å; K457-F699 WeakPolarHBondContact O-CZ 3.48Å; V458-F699 HydrophobicContact CG2-CE1 3.97Å; V458-F699 HydrophobicContact CG2-CZ 4.34Å; F461-F699 HydrophobicContact CB-CE2 3.92Å; F461-F699 HydrophobicContact CB-CZ 3.95Å; F461-F699 HydrophobicContact CG-CE2 4.23Å; F461-F699 HydrophobicContact CG-CZ 4.48Å; L594-F699 WeakPolarHBondContact CD1-O 3.46Å; L696-F699 HydrophobicContact CB-CD2 4.33Å; L696-F699 HydrophobicContact CD2-CD2 4.01Å; L696-F699 HydrophobicContact CD2-CE2 4.15Å; L696-F699 PolarHBondContact O-N 3.01Å; F699-E703 WeakPolarHBondContact CA-OE2 3.32Å; F699-E703 HydrophobicContact CB-CB 4.26Å; F699-E703 HydrophobicContact CD1-CB 3.98Å; F699-L707 HydrophobicContact CE1-CD2 4.09Å; F699-L707 HydrophobicContact CE2-CD2 4.18Å; F699-L707 HydrophobicContact CZ-CD2 3.89Å
700D88.5Confident88.6Confident14 Ų1416.8 Ų16.88%0.0758%0.082CC..  trans-83.6172.41606849.3000111.2L594 K596 R702 E703 L704L594-D700 VanDerWaalsContact CD1-C 3.47Å; K596-D700 VanDerWaalsContact NZ-CB 3.28Å; D700-R702 PolarHBondContact O-N 3.33Å; D700-R702 WeakPolarHBondContact OD1-CA 3.43Å; D700-R702 VanDerWaalsContact OD1-CB 3.28Å; D700-R702 WeakPolarHBondContact OD1-CB 3.42Å; D700-R702 PolarHBondContact OD1-N 3.43Å; D700-E703 PolarHBondContact N-OE2 3.02Å; D700-E703 VanDerWaalsContact N-OE2 3.12Å; D700-E703 PolarHBondContact O-N 2.93Å; D700-E703 WeakPolarHBondContact OD1-CG 3.49Å; D700-E703 PolarHBondContact OD1-N 3.37Å; D700-L704 WeakPolarHBondContact O-CB 3.45Å; D700-L704 PolarHBondContact O-N 3.28Å
701E89Confident87.8Confident4 Ų417.2 Ų17.22%0.0198%0.084CC..Hα-helixtrans-61.7-28.5-17963.2-82-167.300113.5L587 K591 L594 K596 E705L587-E701 HydrophobicContact CB-CG 4.36Å; L587-E701 HydrophobicContact CD2-CG 4.35Å; K591-E701 HydrophobicContact CD-CG 4.46Å; K591-E701 VanDerWaalsContact CE-CD 3.41Å; K591-E701 WeakPolarHBondContact CE-OE1 3.14Å; K591-E701 HydrophobicContact CG-CB 3.81Å; K591-E701 HydrophobicContact CG-CG 3.75Å; K591-E701 IonicContact NZ-OE1 3.12Å; L594-E701 HydrophobicContact CD1-CB 4.39Å; K596-E701 WeakPolarHBondContact CD-OE2 3.39Å; K596-E701 IonicContact NZ-OE2 3.23Å; K596-E701 PolarHBondContact NZ-OE2 3.35Å; E701-E705 PolarHBondContact O-N 2.93Å; E701-E705 VanDerWaalsContact O-N 3.16Å
702R87.6Confident87.2Confident28 Ų2818 Ų1811%0.1069%0.088CC..Hα-helixtrans-79.7-42.3179.2-59.7-177.1-173.5164.63.9110.3L587 D700 E705 V706 Q755 I820L587-R702 HydrophobicContact CD1-CG 4.44Å; L587-R702 HydrophobicContact CD2-CG 4.25Å; D700-R702 PolarHBondContact O-N 3.33Å; D700-R702 WeakPolarHBondContact OD1-CA 3.43Å; D700-R702 VanDerWaalsContact OD1-CB 3.28Å; D700-R702 WeakPolarHBondContact OD1-CB 3.42Å; D700-R702 PolarHBondContact OD1-N 3.43Å; R702-E705 WeakPolarHBondContact O-CB 3.44Å; R702-E705 PolarHBondContact O-N 3.38Å; R702-V706 WeakPolarHBondContact O-CG2 3.45Å; R702-V706 PolarHBondContact O-N 2.97Å; R702-Q755 PolarHBondContact O-NE2 3.28Å; R702-I820 PolarHBondContact NH1-O 2.81Å
703E89.2Confident86.8Confident5 Ų520.6 Ų20.62%0.02310%0.096CC..Hα-helixtrans-65.3-39.3174.3-70.1178151.100111.4F454 K457 F699 D700 V706 L707 R752F454-E703 HydrophobicContact CD2-CB 3.76Å; F454-E703 HydrophobicContact CD2-CG 3.72Å; F454-E703 HydrophobicContact CE2-CB 3.75Å; F454-E703 HydrophobicContact CE2-CG 4.19Å; F454-E703 WeakPolarHBondContact CE2-O 3.42Å; K457-E703 WeakPolarHBondContact CD-OE2 3.49Å; K457-E703 IonicContact NZ-OE1 3.86Å; K457-E703 PolarHBondContact NZ-OE1 3.41Å; K457-E703 IonicContact NZ-OE2 2.82Å; K457-E703 PolarHBondContact NZ-OE2 3.35Å; F699-E703 WeakPolarHBondContact CA-OE2 3.32Å; F699-E703 HydrophobicContact CB-CB 4.26Å; F699-E703 HydrophobicContact CD1-CB 3.98Å; D700-E703 PolarHBondContact N-OE2 3.02Å; D700-E703 VanDerWaalsContact N-OE2 3.12Å; D700-E703 PolarHBondContact O-N 2.93Å; D700-E703 WeakPolarHBondContact OD1-CG 3.49Å; D700-E703 PolarHBondContact OD1-N 3.37Å; E703-V706 PolarHBondContact O-N 3.5Å; E703-L707 WeakPolarHBondContact O-CB 3.49Å; E703-L707 PolarHBondContact O-N 3.01Å; E703-R752 IonicContact OE1-NH2 3.04Å; E703-R752 PolarHBondContact OE1-NH2 2.96Å
704L91.8Very high86.7Confident1 Ų119.4 Ų19.41%0.0059%0.089CC..Hα-helixtrans-64-41174.1-177.858.1000111.6L575 Y590 M593 L594 L696 D700 V706 L707 L708L575-L704 HydrophobicContact CD1-CD1 4.17Å; L575-L704 HydrophobicContact CD2-CD1 4.4Å; Y590-L704 HydrophobicContact CD1-CD2 3.74Å; Y590-L704 HydrophobicContact CD1-CG 3.93Å; Y590-L704 HydrophobicContact CE1-CG 4.44Å; Y590-L704 HydrophobicContact CG-CD2 4.3Å; Y590-L704 HydrophobicContact CG-CG 4.5Å; M593-L704 HydrophobicContact CE-CD2 4.38Å; L594-L704 HydrophobicContact CD1-CB 4.42Å; L594-L704 HydrophobicContact CD1-CD2 4.13Å; L594-L704 HydrophobicContact CD2-CD2 4.06Å; L594-L704 HydrophobicContact CG-CD2 3.96Å; L696-L704 HydrophobicContact CD1-CD1 3.86Å; L696-L704 HydrophobicContact CD1-CD2 4.39Å; L696-L704 HydrophobicContact CD2-CD1 4.24Å; D700-L704 WeakPolarHBondContact O-CB 3.45Å; D700-L704 PolarHBondContact O-N 3.28Å; L704-V706 VanDerWaalsContact C-N 3.33Å; L704-V706 PolarHBondContact O-N 2.91Å; L704-L707 PolarHBondContact O-N 3.48Å; L704-L708 WeakPolarHBondContact O-CB 3.48Å; L704-L708 PolarHBondContact O-N 3.01Å
705E91.1Very high86.9Confident1 Ų119.3 Ų19.31%0.0059%0.092CC..Hα-helixtrans-58.3-46.5172.8-172.3-168.4-158.200110.9Y590 E701 R702 L708 C709 Q755 T760 C761Y590-E705 HydrophobicContact CD2-CB 4.09Å; Y590-E705 HydrophobicContact CE2-CB 3.65Å; Y590-E705 HydrophobicContact CE2-CG 3.78Å; E701-E705 PolarHBondContact O-N 2.93Å; E701-E705 VanDerWaalsContact O-N 3.16Å; R702-E705 WeakPolarHBondContact O-CB 3.44Å; R702-E705 PolarHBondContact O-N 3.38Å; E705-L708 PolarHBondContact O-N 3.14Å; E705-C709 VanDerWaalsContact O-CB 3.29Å; E705-C709 WeakPolarHBondContact O-CB 3.46Å; E705-C709 PolarHBondContact O-N 3.24Å; E705-C709 PolarHBondContact O-SG 3.05Å; E705-C709 VanDerWaalsContact O-SG 3.34Å; E705-Q755 PolarHBondContact OE2-NE2 3.02Å; E705-T760 WeakPolarHBondContact OE1-CA 3.4Å; E705-T760 WeakPolarHBondContact OE1-CB 3.34Å; E705-T760 PolarHBondContact OE1-OG1 3.29Å; E705-C761 PolarHBondContact OE1-N 3.49Å; E705-C761 PolarHBondContact OE2-N 2.95Å
706V88.5Confident87.3Confident9 Ų919 Ų196%0.0559%0.092CC..Hα-helixtrans-65.9-40.5179.6173.40000111.7F454 R702 E703 L704 L708 G710 M711 I751 C761F454-V706 HydrophobicContact CE1-CG1 4.01Å; F454-V706 HydrophobicContact CZ-CB 4.24Å; F454-V706 HydrophobicContact CZ-CG1 3.83Å; R702-V706 WeakPolarHBondContact O-CG2 3.45Å; R702-V706 PolarHBondContact O-N 2.97Å; E703-V706 PolarHBondContact O-N 3.5Å; L704-V706 VanDerWaalsContact C-N 3.33Å; L704-V706 PolarHBondContact O-N 2.91Å; V706-L708 VanDerWaalsContact C-N 3.27Å; V706-L708 PolarHBondContact O-N 3.37Å; V706-G710 VanDerWaalsContact O-CA 3.25Å; V706-G710 WeakPolarHBondContact O-CA 3.35Å; V706-G710 PolarHBondContact O-N 3.41Å; V706-M711 HydrophobicContact CG1-CG 3.39Å; V706-M711 HydrophobicContact CG1-SD 3.99Å; V706-I751 HydrophobicContact CG2-CG2 3.8Å; V706-C761 HydrophobicContact CG2-CB 3.95Å
707L90.2Very high87.6Confident9 Ų923.5 Ų23.55%0.04712%0.116CC..Hα-helixtrans-60.5-39.2177-177.159.7000111.5F454 V458 F461 L575 L696 F699 E703 L704F454-L707 HydrophobicContact CZ-CB 4.44Å; V458-L707 HydrophobicContact CG1-CD1 4.44Å; V458-L707 HydrophobicContact CG2-CD1 4.03Å; F461-L707 HydrophobicContact CD1-CD2 4.19Å; F461-L707 HydrophobicContact CE1-CD2 4.35Å; L575-L707 HydrophobicContact CD2-CB 4.32Å; L575-L707 HydrophobicContact CD2-CD2 3.8Å; L575-L707 HydrophobicContact CD2-CG 3.63Å; L696-L707 HydrophobicContact CD2-CD2 4.39Å; F699-L707 HydrophobicContact CE1-CD2 4.09Å; F699-L707 HydrophobicContact CE2-CD2 4.18Å; F699-L707 HydrophobicContact CZ-CD2 3.89Å; E703-L707 WeakPolarHBondContact O-CB 3.49Å; E703-L707 PolarHBondContact O-N 3.01Å; L704-L707 PolarHBondContact O-N 3.48Å
708L91.8Very high88.3Confident1 Ų122.7 Ų22.71%0.00511%0.113CC..Hα-helixtrans-83.9-40.5-177-175.759.8000113.3I571 A574 L575 F580 I581 Y590 L704 E705 V706I571-L708 HydrophobicContact CD1-CD2 4.42Å; I571-L708 HydrophobicContact CG2-CD1 3.94Å; I571-L708 HydrophobicContact CG2-CD2 3.76Å; A574-L708 HydrophobicContact CB-CD1 3.99Å; L575-L708 HydrophobicContact CD2-CB 4.12Å; L575-L708 HydrophobicContact CD2-CD1 4.08Å; L575-L708 HydrophobicContact CG-CD1 4.04Å; F580-L708 WeakPolarHBondContact CA-O 3.46Å; I581-L708 HydrophobicContact CD1-CD1 3.8Å; I581-L708 HydrophobicContact CD1-CD2 3.59Å; I581-L708 HydrophobicContact CD1-CG 3.49Å; I581-L708 VanDerWaalsContact CD1-CG 3.49Å; I581-L708 HydrophobicContact CG1-CD1 4.09Å; I581-L708 HydrophobicContact CG1-CD2 4.4Å; I581-L708 HydrophobicContact CG1-CG 3.78Å; I581-L708 PolarHBondContact N-O 3.09Å; I581-L708 VanDerWaalsContact N-O 3.11Å; Y590-L708 HydrophobicContact CE1-CD2 3.92Å; L704-L708 WeakPolarHBondContact O-CB 3.48Å; L704-L708 PolarHBondContact O-N 3.01Å; E705-L708 PolarHBondContact O-N 3.14Å; V706-L708 VanDerWaalsContact C-N 3.27Å; V706-L708 PolarHBondContact O-N 3.37Å
709C88.7Confident89.1Confident0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-88.6-25-176.6-60.20000112.7R340 E705R340-C709 WeakPolarHBondContact CD-O 3.27Å; R340-C709 PolarHBondContact NH1-O 3.23Å; E705-C709 VanDerWaalsContact O-CB 3.29Å; E705-C709 WeakPolarHBondContact O-CB 3.46Å; E705-C709 PolarHBondContact O-N 3.24Å; E705-C709 PolarHBondContact O-SG 3.05Å; E705-C709 VanDerWaalsContact O-SG 3.34Å
710G84.5Confident89.6Confident1 Ų124 Ų241%0.0112%0.12CC..  trans82160.5-17200000113.3F580 V706F580-G710 VanDerWaalsContact CD1-CA 3.49Å; F580-G710 VanDerWaalsContact CE1-CA 3.47Å; V706-G710 VanDerWaalsContact O-CA 3.25Å; V706-G710 WeakPolarHBondContact O-CA 3.35Å; V706-G710 PolarHBondContact O-N 3.41Å
711M78.7Confident90Very high9 Ų929.5 Ų29.54%0.04415%0.149CC..PPolyproline II helixtrans-88.3133.1179.5-71-175.635.400111.7N343 W346 V706 Q747 Q748 I751N343-M711 WeakPolarHBondContact CB-O 3.43Å; N343-M711 PolarHBondContact ND2-O 2.86Å; N343-M711 VanDerWaalsContact ND2-O 3.16Å; W346-M711 HydrophobicContact CH2-CB 3.63Å; W346-M711 HydrophobicContact CH2-CE 3.62Å; W346-M711 HydrophobicContact CH2-CG 3.53Å; W346-M711 HydrophobicContact CH2-SD 3.05Å; W346-M711 WeakPolarHBondContact CH2-SD 3.43Å; W346-M711 HydrophobicContact CZ2-CB 3.8Å; W346-M711 HydrophobicContact CZ2-CE 4.49Å; W346-M711 HydrophobicContact CZ2-CG 3.47Å; W346-M711 VanDerWaalsContact CZ2-CG 3.47Å; W346-M711 HydrophobicContact CZ2-SD 3.38Å; W346-M711 WeakPolarHBondContact CZ2-SD 3.41Å; W346-M711 HydrophobicContact CZ3-CE 4.08Å; W346-M711 HydrophobicContact CZ3-SD 3.8Å; V706-M711 HydrophobicContact CG1-CG 3.39Å; V706-M711 HydrophobicContact CG1-SD 3.99Å; M711-Q747 HydrophobicContact CE-CB 4.25Å; M711-Q747 HydrophobicContact CE-CG 4.02Å; M711-Q748 HydrophobicContact CE-CB 3.98Å; M711-Q748 HydrophobicContact SD-CB 4.5Å; M711-I751 HydrophobicContact CB-CD1 3.62Å; M711-I751 HydrophobicContact CE-CD1 3.77Å; M711-I751 HydrophobicContact CG-CD1 3.49Å; M711-I751 VanDerWaalsContact CG-CD1 3.49Å; M711-I751 HydrophobicContact SD-CD1 4.1Å
712Q80.1Confident90.4Very high18 Ų1831.6 Ų31.68%0.08416%0.159CC..PPolyproline II helixtrans-96.3151.6171.7-63.5170.329.300109R340 I714 Q747R340-Q712 HydrophobicContact CG-CG 4.21Å; Q712-I714 PolarHBondContact O-N 3.47Å; Q712-Q747 PolarHBondContact O-NE2 3.23Å
713Q83.4Confident90.9Very high101 Ų10130.9 Ų30.947%0.47216%0.158SC..PPolyproline II helixtrans-74.8126.6165.4-73.7-58-19.300108.2E339 N343 D715E339-Q713 PolarHBondContact OE1-N 2.94Å; N343-Q713 PolarHBondContact ND2-N 3.22Å; N343-Q713 VanDerWaalsContact ND2-N 3.19Å; N343-Q713 VanDerWaalsContact OD1-CG 3.29Å; N343-Q713 WeakPolarHBondContact OD1-CG 2.95Å; N343-Q713 PolarHBondContact OD1-NE2 3.06Å; Q713-D715 PolarHBondContact O-N 3.33Å
714I87.3Confident91.3Very high8 Ų833.3 Ų33.34%0.04117%0.173CC..  trans-90.5111.4176.7-71.4168.6000106.5Q712 V716 W719 Q747 R750 I751 L754 F768Q712-I714 PolarHBondContact O-N 3.47Å; I714-V716 PolarHBondContact O-N 3.31Å; I714-V716 VanDerWaalsContact O-N 3.15Å; I714-W719 HydrophobicContact CG2-CD2 4.45Å; I714-W719 HydrophobicContact CG2-CE3 3.5Å; I714-W719 HydrophobicContact CG2-CZ3 3.88Å; I714-Q747 VanDerWaalsContact CG1-NE2 3.29Å; I714-R750 HydrophobicContact CD1-CB 3.88Å; I714-I751 HydrophobicContact CD1-CB 4.41Å; I714-I751 HydrophobicContact CD1-CG1 3.66Å; I714-I751 HydrophobicContact CG1-CG1 4.43Å; I714-L754 HydrophobicContact CD1-CB 4.25Å; I714-L754 HydrophobicContact CD1-CD2 4.01Å; I714-F768 HydrophobicContact CG2-CE2 4.05Å; I714-F768 HydrophobicContact CG2-CZ 4.02Å
715D91.2Very high91.5Very high90 Ų9035.9 Ų35.948%0.48118%0.183SC..  trans-69.7104.3168.1-173.8-17.8000109Q713 D717 D718 W719Q713-D715 PolarHBondContact O-N 3.33Å; D715-D717 VanDerWaalsContact C-N 3.26Å; D715-D717 PolarHBondContact O-N 2.94Å; D715-D717 WeakPolarHBondContact OD1-CA 3.19Å; D715-D717 WeakPolarHBondContact OD1-CB 3.17Å; D715-D717 PolarHBondContact OD1-N 3.18Å; D715-D718 HydrophobicContact CB-CB 3.88Å; D715-D718 PolarHBondContact OD1-N 3.38Å; D715-W719 WeakPolarHBondContact O-CB 3.26Å; D715-W719 PolarHBondContact O-N 3.38Å
716V95.2Very high91.8Very high10 Ų1040.7 Ų40.76%0.06120%0.204CC..Hα-helixtrans-69.4-27.6-179.3-177.50000111.2I714 Q720 W739 V742 R743I714-V716 PolarHBondContact O-N 3.31Å; I714-V716 VanDerWaalsContact O-N 3.15Å; V716-Q720 VanDerWaalsContact O-CB 3.27Å; V716-Q720 WeakPolarHBondContact O-CB 3.47Å; V716-Q720 PolarHBondContact O-N 3.46Å; V716-W739 HydrophobicContact CG1-CE3 4.08Å; V716-W739 HydrophobicContact CG1-CZ3 4.16Å; V716-V742 HydrophobicContact CG1-CG1 3.89Å; V716-V742 HydrophobicContact CG2-CG1 4.22Å; V716-R743 HydrophobicContact CG1-CG 3.81Å
717D95.9Very high92.1Very high96 Ų9647.6 Ų47.651%0.51323%0.233SC..Hα-helixtrans-73.5-43.1178.4-64-30.1000110.2D715 Q720 L721 R743D715-D717 VanDerWaalsContact C-N 3.26Å; D715-D717 PolarHBondContact O-N 2.94Å; D715-D717 WeakPolarHBondContact OD1-CA 3.19Å; D715-D717 WeakPolarHBondContact OD1-CB 3.17Å; D715-D717 PolarHBondContact OD1-N 3.18Å; D717-Q720 PolarHBondContact O-N 2.91Å; D717-L721 WeakPolarHBondContact O-CB 3.35Å; D717-L721 PolarHBondContact O-N 2.82Å; D717-R743 IonicContact OD1-CZ 2.78Å; D717-R743 IonicContact OD1-NH1 3.56Å; D717-R743 PolarHBondContact OD1-NH1 2.65Å; D717-R743 IonicContact OD1-NH2 3.36Å; D717-R743 PolarHBondContact OD1-NH2 2.83Å
718D95.7Very high92.4Very high34 Ų3448.2 Ų48.218%0.18224%0.235CC..Hα-helixtrans-61.3-43171.5-177.149.6000112D715 L721 H722 G767 F768D715-D718 HydrophobicContact CB-CB 3.88Å; D715-D718 PolarHBondContact OD1-N 3.38Å; D718-L721 PolarHBondContact O-N 3.38Å; D718-H722 PolarHBondContact O-N 2.65Å; D718-H722 VanDerWaalsContact O-N 3.14Å; D718-H722 PolarHBondContact O-ND1 3.45Å; D718-H722 IonicContact OD1-CE1 3.46Å; D718-H722 PolarHBondContact OD1-CE1 2.9Å; D718-H722 IonicContact OD1-ND1 3.51Å; D718-H722 PolarHBondContact OD1-ND1 3.08Å; D718-G767 VanDerWaalsContact OD2-CA 3.27Å; D718-G767 WeakPolarHBondContact OD2-CA 3.27Å; D718-F768 WeakPolarHBondContact OD2-CD2 3.39Å; D718-F768 PolarHBondContact OD2-N 2.9Å
719W96.7Very high92.6Very high0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-60.7-48.3176.7-167.9-0.7000111.5I714 D715 H722 T723 W739 V742 L753 L754 F768 F780I714-W719 HydrophobicContact CG2-CD2 4.45Å; I714-W719 HydrophobicContact CG2-CE3 3.5Å; I714-W719 HydrophobicContact CG2-CZ3 3.88Å; D715-W719 WeakPolarHBondContact O-CB 3.26Å; D715-W719 PolarHBondContact O-N 3.38Å; W719-H722 PolarHBondContact O-N 3.17Å; W719-T723 PolarHBondContact O-N 3.17Å; W719-T723 PolarHBondContact O-OG1 2.97Å; W719-W739 HydrophobicContact CB-CH2 4.16Å; W719-W739 HydrophobicContact CB-CZ3 4.26Å; W719-W739 AromaticContact CD1-CH2 3.76Å; W719-W739 HydrophobicContact CD2-CH2 4.12Å; W719-W739 HydrophobicContact CD2-CZ3 4.15Å; W719-W739 HydrophobicContact CE3-CZ3 4.47Å; W719-W739 AromaticContact CG-CH2 3.73Å; W719-W739 HydrophobicContact CG-CH2 3.73Å; W719-W739 HydrophobicContact CG-CZ3 4.03Å; W719-V742 HydrophobicContact CE3-CG1 4.18Å; W719-V742 HydrophobicContact CZ3-CG1 4.03Å; W719-L753 HydrophobicContact CH2-CB 4.5Å; W719-L753 HydrophobicContact CH2-CD2 3.94Å; W719-L753 HydrophobicContact CH2-CG 4.02Å; W719-L754 HydrophobicContact CH2-CB 4.34Å; W719-L754 HydrophobicContact CZ2-CD1 4.23Å; W719-F768 HydrophobicContact CB-CD1 4.18Å; W719-F768 HydrophobicContact CB-CD2 3.69Å; W719-F768 HydrophobicContact CB-CE1 4.06Å; W719-F768 HydrophobicContact CB-CE2 3.57Å; W719-F768 HydrophobicContact CB-CG 4Å; W719-F768 HydrophobicContact CB-CZ 3.76Å; W719-F768 AromaticContact CD1-CD1 3.38Å; W719-F768 AromaticContact CD1-CE1 3.31Å; W719-F768 AromaticContact CD1-CG 3.99Å; W719-F768 AromaticContact CD1-CZ 3.88Å; W719-F768 HydrophobicContact CD2-CD1 4.44Å; W719-F768 AromaticContact CD2-CE1 3.64Å; W719-F768 HydrophobicContact CD2-CE1 3.64Å; W719-F768 HydrophobicContact CD2-CE2 4.27Å; W719-F768 AromaticContact CD2-CZ 3.55Å; W719-F768 HydrophobicContact CD2-CZ 3.55Å; W719-F768 AromaticContact CE2-CE1 3.67Å; W719-F768 HydrophobicContact CE3-CE1 4.45Å; W719-F768 AromaticContact CE3-CZ 3.96Å; W719-F768 HydrophobicContact CE3-CZ 3.96Å; W719-F768 AromaticContact CG-CD1 3.77Å; W719-F768 HydrophobicContact CG-CD1 3.77Å; W719-F768 HydrophobicContact CG-CD2 4.14Å; W719-F768 AromaticContact CG-CE1 3.42Å; W719-F768 HydrophobicContact CG-CE1 3.42Å; W719-F768 VanDerWaalsContact CG-CE1 3.42Å; W719-F768 AromaticContact CG-CE2 3.84Å; W719-F768 HydrophobicContact CG-CE2 3.84Å; W719-F768 HydrophobicContact CG-CG 4.11Å; W719-F768 AromaticContact CG-CZ 3.47Å; W719-F768 HydrophobicContact CG-CZ 3.47Å; W719-F768 VanDerWaalsContact CG-CZ 3.47Å; W719-F768 HydrophobicContact CZ2-CE1 4.46Å; W719-F768 AromaticContact NE1-CD1 3.88Å; W719-F768 AromaticContact NE1-CE1 3.49Å; W719-F780 AromaticContact CE2-CE2 3.83Å; W719-F780 HydrophobicContact CZ2-CD2 4.13Å; W719-F780 AromaticContact CZ2-CE2 3.53Å; W719-F780 HydrophobicContact CZ2-CE2 3.53Å; W719-F780 AromaticContact CZ2-CZ 3.8Å; W719-F780 HydrophobicContact CZ2-CZ 3.8Å; W719-F780 AromaticContact NE1-CD1 3.54Å; W719-F780 AromaticContact NE1-CD2 3.28Å; W719-F780 VanDerWaalsContact NE1-CD2 3.28Å; W719-F780 AromaticContact NE1-CE1 3.77Å; W719-F780 AromaticContact NE1-CE2 3.5Å; W719-F780 AromaticContact NE1-CG 3.29Å; W719-F780 VanDerWaalsContact NE1-CG 3.29Å; W719-F780 AromaticContact NE1-CZ 3.76Å
720Q97.4Very high93Very high64 Ų6455.1 Ų55.130%0.29928%0.28SS..Hα-helixtrans-65.9-39.5179.9-177.3169.37.400112.1V716 D717 H722 T723 W739V716-Q720 VanDerWaalsContact O-CB 3.27Å; V716-Q720 WeakPolarHBondContact O-CB 3.47Å; V716-Q720 PolarHBondContact O-N 3.46Å; D717-Q720 PolarHBondContact O-N 2.91Å; Q720-H722 VanDerWaalsContact C-N 3.32Å; Q720-H722 PolarHBondContact O-N 3.46Å; Q720-T723 PolarHBondContact O-N 2.96Å; Q720-W739 VanDerWaalsContact CA-CH2 3.44Å; Q720-W739 VanDerWaalsContact CA-CZ2 3.46Å; Q720-W739 HydrophobicContact CB-CD2 3.93Å; Q720-W739 HydrophobicContact CB-CE3 3.94Å; Q720-W739 HydrophobicContact CB-CH2 3.85Å; Q720-W739 HydrophobicContact CB-CZ2 3.84Å; Q720-W739 HydrophobicContact CB-CZ3 3.89Å; Q720-W739 HydrophobicContact CG-CD2 3.78Å; Q720-W739 HydrophobicContact CG-CE3 4.29Å; Q720-W739 HydrophobicContact CG-CG 4.13Å; Q720-W739 HydrophobicContact CG-CH2 4.49Å; Q720-W739 HydrophobicContact CG-CZ2 3.99Å
721L97Very high93.5Very high131 Ų13165.2 Ų65.269%0.68632%0.318SS*.Hα-helixtrans-62.7-37.8179.7-179.262000112.5D717 D718D717-L721 WeakPolarHBondContact O-CB 3.35Å; D717-L721 PolarHBondContact O-N 2.82Å; D718-L721 PolarHBondContact O-N 3.38Å
722H96.4Very high94.4Very high48 Ų4865.7 Ų65.722%0.22232%0.322CS..THydrogen-bonded Turntrans-101.715.8-176.2-61106.4000113.8D718 W719 Q720 F768D718-H722 PolarHBondContact O-N 2.65Å; D718-H722 VanDerWaalsContact O-N 3.14Å; D718-H722 PolarHBondContact O-ND1 3.45Å; D718-H722 IonicContact OD1-CE1 3.46Å; D718-H722 PolarHBondContact OD1-CE1 2.9Å; D718-H722 IonicContact OD1-ND1 3.51Å; D718-H722 PolarHBondContact OD1-ND1 3.08Å; W719-H722 PolarHBondContact O-N 3.17Å; Q720-H722 VanDerWaalsContact C-N 3.32Å; Q720-H722 PolarHBondContact O-N 3.46Å; H722-F768 HydrophobicContact CB-CB 3.95Å
723T97.7Very high95.2Very high12 Ų1268 Ų687%0.07434%0.338CS..  trans-87.6135.5173.9-69.30000111.7W719 Q720 Y725 W739 F780 I782W719-T723 PolarHBondContact O-N 3.17Å; W719-T723 PolarHBondContact O-OG1 2.97Å; Q720-T723 PolarHBondContact O-N 2.96Å; T723-Y725 HydrophobicContact CG2-CD1 4.31Å; T723-Y725 HydrophobicContact CG2-CE1 3.69Å; T723-Y725 HydrophobicContact CG2-CE2 4.45Å; T723-W739 HydrophobicContact CG2-CZ2 4.04Å; T723-W739 WeakPolarHBondContact OG1-CZ2 3.44Å; T723-F780 WeakPolarHBondContact CA-O 3.49Å; T723-F780 HydrophobicContact CG2-CD1 3.75Å; T723-F780 HydrophobicContact CG2-CE1 4.37Å; T723-F780 WeakPolarHBondContact OG1-CD1 3.36Å; T723-I782 HydrophobicContact CG2-CD1 4.28Å; T723-I782 HydrophobicContact CG2-CG1 4.14Å
724T97.2Very high95.9Very high56 Ų5664.5 Ų64.534%0.34432%0.322SS..EExtended strand (participates in β ladder)trans-102.2151.7173.561.70000111.4P779 F780 C781 I782T724-P779 HydrophobicContact CG2-CB 4.11Å; T724-P779 HydrophobicContact CG2-CG 3.63Å; T724-F780 PolarHBondContact N-O 3.01Å; T724-F780 PolarHBondContact OG1-O 3.06Å; T724-F780 VanDerWaalsContact OG1-O 3.09Å; T724-C781 CarbonylContact O-C 3.58Å; T724-C781 VanDerWaalsContact O-CA 3.32Å; T724-C781 WeakPolarHBondContact O-CA 3.27Å; T724-C781 WeakPolarHBondContact OG1-CB 3.49Å; T724-C781 PolarHBondContact OG1-SG 3.46Å; T724-I782 PolarHBondContact O-N 2.88Å
725Y97.7Very high96.4Very high56 Ų5664.1 Ų64.122%0.2232%0.32CS..EExtended strand (participates in β ladder)trans-123.7134.7-178.4-51.6-78.9000110.2T723 Y728 A730 V735 W739 I782T723-Y725 HydrophobicContact CG2-CD1 4.31Å; T723-Y725 HydrophobicContact CG2-CE1 3.69Å; T723-Y725 HydrophobicContact CG2-CE2 4.45Å; Y725-Y728 VanDerWaalsContact CB-O 3.32Å; Y725-Y728 WeakPolarHBondContact CB-O 3.4Å; Y725-A730 HydrophobicContact CD2-CB 4.48Å; Y725-A730 HydrophobicContact CE2-CB 4.01Å; Y725-V735 HydrophobicContact CD1-CG1 4.04Å; Y725-V735 HydrophobicContact CD1-CG2 3.79Å; Y725-V735 HydrophobicContact CE1-CB 4.3Å; Y725-V735 HydrophobicContact CE1-CG1 3.35Å; Y725-V735 HydrophobicContact CE1-CG2 3.92Å; Y725-W739 PolarHBondContact OH-NE1 3.3Å; Y725-I782 WeakPolarHBondContact CA-O 3.49Å; Y725-I782 HydrophobicContact CD1-CB 4.14Å; Y725-I782 HydrophobicContact CE1-CD1 4.13Å
726K96.3Very high96.7Very high102 Ų10264.3 Ų64.344%0.44332%0.32SS..EExtended strand (participates in β ladder)trans-119.6124.8174.6-73.9-178.1-178.8179.70109.4Y728 I782 E783 Y784K726-Y728 PolarHBondContact O-N 3.42Å; K726-I782 PolarHBondContact N-O 2.93Å; K726-E783 HydrophobicContact CB-CB 3.94Å; K726-E783 HydrophobicContact CB-CG 3.63Å; K726-E783 HydrophobicContact CD-CG 4.45Å; K726-E783 WeakPolarHBondContact CD-OE2 3.44Å; K726-E783 WeakPolarHBondContact O-CA 3.46Å; K726-Y784 PolarHBondContact O-N 3.41Å; K726-Y784 VanDerWaalsContact O-N 3.08Å
727K95.9Very high96.9Very high154 Ų15466.9 Ų66.967%0.6733%0.329SS*.SBendtrans59.1-1.7-174.9-58.1164.9-174.6147.40114.9E783K727-E783 IonicContact NZ-OE1 2.83Å; K727-E783 PolarHBondContact NZ-OE1 2.91Å
728Y96.8Very high97Very high22 Ų2262.3 Ų62.39%0.08631%0.305CS..  trans-111.2167.3159.7-77.3-56.2000109.5Y725 K726 Q734 V735 I782 Y784 L803 P805Y725-Y728 VanDerWaalsContact CB-O 3.32Å; Y725-Y728 WeakPolarHBondContact CB-O 3.4Å; K726-Y728 PolarHBondContact O-N 3.42Å; Y728-Q734 HydrophobicContact CE1-CB 4.09Å; Y728-Q734 HydrophobicContact CE1-CG 4.3Å; Y728-V735 HydrophobicContact CD2-CG2 4.48Å; Y728-V735 HydrophobicContact CG-CG2 4.09Å; Y728-I782 HydrophobicContact CD2-CG2 4.3Å; Y728-Y784 AromaticContact CE1-CD2 3.78Å; Y728-Y784 HydrophobicContact CE1-CD2 3.78Å; Y728-Y784 VanDerWaalsContact CE2-CA 3.44Å; Y728-Y784 HydrophobicContact CE2-CD2 4.2Å; Y728-Y784 HydrophobicContact CE2-CG 4.32Å; Y728-Y784 AromaticContact CZ-CD2 3.58Å; Y728-L803 HydrophobicContact CE2-CB 4.3Å; Y728-L803 WeakPolarHBondContact CE2-O 3.33Å; Y728-L803 PolarHBondContact OH-O 2.77Å; Y728-P805 WeakPolarHBondContact OH-CA 3.27Å
729D95.7Very high97.1Very high87 Ų8761 Ų6147%0.46530%0.297SS..  trans-127.6173.2164.263.828000110.4R731 S732 V735D729-R731 PolarHBondContact O-N 2.91Å; D729-R731 VanDerWaalsContact O-N 3.07Å; D729-R731 WeakPolarHBondContact OD1-CA 3.36Å; D729-R731 PolarHBondContact OD1-N 2.68Å; D729-S732 PolarHBondContact N-OG 3.43Å; D729-S732 VanDerWaalsContact O-CB 3.3Å; D729-S732 WeakPolarHBondContact O-CB 3.49Å; D729-S732 PolarHBondContact O-N 2.81Å; D729-S732 VanDerWaalsContact O-N 3.14Å; D729-S732 PolarHBondContact O-OG 3.33Å; D729-S732 PolarHBondContact OD1-N 3.06Å; D729-S732 PolarHBondContact OD1-OG 3.41Å; D729-V735 WeakPolarHBondContact O-CG2 3.48Å
730A95.3Very high97.2Very high58 Ų5866.9 Ų66.948%0.47932%0.323SS..THydrogen-bonded Turntrans-63.2-14.1179.900000114.3Y725Y725-A730 HydrophobicContact CD2-CB 4.48Å; Y725-A730 HydrophobicContact CE2-CB 4.01Å
731R96.2Very high97.2Very high214 Ų21464 Ų6481%0.80831%0.31SS*.THydrogen-bonded Turntrans-99.1-7.4-179.3-62.9-179.9-179.7173.90.5112.6D729D729-R731 PolarHBondContact O-N 2.91Å; D729-R731 VanDerWaalsContact O-N 3.07Å; D729-R731 WeakPolarHBondContact OD1-CA 3.36Å; D729-R731 PolarHBondContact OD1-N 2.68Å
732S97.2Very high97.2Very high18 Ų1857.8 Ų57.813%0.12628%0.277CS..SBendtrans-62135.9-178.7-64.50000110D729 Q734 V735 L736D729-S732 PolarHBondContact N-OG 3.43Å; D729-S732 VanDerWaalsContact O-CB 3.3Å; D729-S732 WeakPolarHBondContact O-CB 3.49Å; D729-S732 PolarHBondContact O-N 2.81Å; D729-S732 VanDerWaalsContact O-N 3.14Å; D729-S732 PolarHBondContact O-OG 3.33Å; D729-S732 PolarHBondContact OD1-N 3.06Å; D729-S732 PolarHBondContact OD1-OG 3.41Å; S732-Q734 VanDerWaalsContact C-N 3.26Å; S732-Q734 PolarHBondContact O-N 3.44Å; S732-V735 PolarHBondContact O-N 3.14Å; S732-L736 PolarHBondContact O-N 3.24Å; S732-L736 VanDerWaalsContact O-N 3.07Å
733P97.3Very high97.2Very high67 Ų6760.8 Ų60.844%0.43529%0.286SS..Hα-helixtrans-52.8-43.3-176.1-28.134.6000113.1V735 L736 W737P733-V735 VanDerWaalsContact C-N 3.33Å; P733-V735 PolarHBondContact O-N 2.91Å; P733-L736 PolarHBondContact O-N 2.83Å; P733-W737 HydrophobicContact CB-CD2 4.44Å; P733-W737 HydrophobicContact CB-CH2 3.94Å; P733-W737 HydrophobicContact CB-CZ2 3.82Å; P733-W737 HydrophobicContact CB-CZ3 4.3Å; P733-W737 WeakPolarHBondContact O-CB 3.39Å; P733-W737 VanDerWaalsContact O-CD2 3.23Å; P733-W737 PolarHBondContact O-N 3.07Å
734Q97.7Very high97.1Very high27 Ų2763.8 Ų63.813%0.12631%0.308CS..Hα-helixtrans-64.1-35.4179.7-6579.64.800112.6Y728 S732 W737 F738 L803 Y806 L812Y728-Q734 HydrophobicContact CE1-CB 4.09Å; Y728-Q734 HydrophobicContact CE1-CG 4.3Å; S732-Q734 VanDerWaalsContact C-N 3.26Å; S732-Q734 PolarHBondContact O-N 3.44Å; Q734-W737 HydrophobicContact CG-CE3 4.28Å; Q734-W737 HydrophobicContact CG-CZ3 4.3Å; Q734-F738 VanDerWaalsContact O-CB 3.3Å; Q734-F738 WeakPolarHBondContact O-CB 3.37Å; Q734-F738 PolarHBondContact O-N 2.92Å; Q734-L803 HydrophobicContact CB-CD2 4.11Å; Q734-Y806 PolarHBondContact NE2-O 3.44Å; Q734-L812 HydrophobicContact CB-CD1 4.39Å; Q734-L812 WeakPolarHBondContact O-CD1 3.26Å
735V98.1Very high96.9Very high0 Ų061.5 Ų61.50%029%0.294CS..Hα-helixtrans-70.7-43.1176.5171.20000110.8Y725 Y728 D729 S732 P733 W737 F738 W739Y725-V735 HydrophobicContact CD1-CG1 4.04Å; Y725-V735 HydrophobicContact CD1-CG2 3.79Å; Y725-V735 HydrophobicContact CE1-CB 4.3Å; Y725-V735 HydrophobicContact CE1-CG1 3.35Å; Y725-V735 HydrophobicContact CE1-CG2 3.92Å; Y728-V735 HydrophobicContact CD2-CG2 4.48Å; Y728-V735 HydrophobicContact CG-CG2 4.09Å; D729-V735 WeakPolarHBondContact O-CG2 3.48Å; S732-V735 PolarHBondContact O-N 3.14Å; P733-V735 VanDerWaalsContact C-N 3.33Å; P733-V735 PolarHBondContact O-N 2.91Å; V735-W737 VanDerWaalsContact C-N 3.31Å; V735-W737 PolarHBondContact O-N 3.43Å; V735-F738 WeakPolarHBondContact O-CB 3.38Å; V735-F738 PolarHBondContact O-N 3.49Å; V735-W739 VanDerWaalsContact O-CD1 3.22Å; V735-W739 PolarHBondContact O-N 2.84Å
736L97.9Very high96.4Very high94 Ų9462.7 Ų62.749%0.49231%0.307SS..Hα-helixtrans-62.6-41.4175-65.9172.8000111.3S732 P733 K740S732-L736 PolarHBondContact O-N 3.24Å; S732-L736 VanDerWaalsContact O-N 3.07Å; P733-L736 PolarHBondContact O-N 2.83Å; L736-K740 WeakPolarHBondContact O-CB 3.03Å; L736-K740 PolarHBondContact O-N 3.15Å
737W98.4Very high95.8Very high64 Ų6459 Ų5924%0.24229%0.291CS..Hα-helixtrans-65.8-40.1174.9-65.3-16.5000112.5P733 Q734 V735 K740 F741 Y806 R807 Y809 L812P733-W737 HydrophobicContact CB-CD2 4.44Å; P733-W737 HydrophobicContact CB-CH2 3.94Å; P733-W737 HydrophobicContact CB-CZ2 3.82Å; P733-W737 HydrophobicContact CB-CZ3 4.3Å; P733-W737 WeakPolarHBondContact O-CB 3.39Å; P733-W737 VanDerWaalsContact O-CD2 3.23Å; P733-W737 PolarHBondContact O-N 3.07Å; Q734-W737 HydrophobicContact CG-CE3 4.28Å; Q734-W737 HydrophobicContact CG-CZ3 4.3Å; V735-W737 VanDerWaalsContact C-N 3.31Å; V735-W737 PolarHBondContact O-N 3.43Å; W737-K740 PolarHBondContact O-N 3.36Å; W737-F741 WeakPolarHBondContact O-CB 3.29Å; W737-F741 PolarHBondContact O-N 2.9Å; W737-Y806 WeakPolarHBondContact CZ3-O 3.23Å; W737-R807 WeakPolarHBondContact CH2-O 3.47Å; W737-Y809 HydrophobicContact CB-CD2 3.91Å; W737-Y809 HydrophobicContact CG-CD2 4.16Å; W737-L812 HydrophobicContact CB-CD1 3.91Å; W737-L812 HydrophobicContact CB-CD2 4.34Å; W737-L812 HydrophobicContact CE3-CD1 4.48Å
738F98.2Very high95.1Very high0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-57.6-52173.8174.8-94.8000111.1Q734 V735 K740 F741 V742 L753 F780 I782 L801 L803 L816Q734-F738 VanDerWaalsContact O-CB 3.3Å; Q734-F738 WeakPolarHBondContact O-CB 3.37Å; Q734-F738 PolarHBondContact O-N 2.92Å; V735-F738 WeakPolarHBondContact O-CB 3.38Å; V735-F738 PolarHBondContact O-N 3.49Å; F738-K740 VanDerWaalsContact C-N 3.34Å; F738-K740 PolarHBondContact O-N 2.8Å; F738-F741 WeakPolarHBondContact O-CA 3.45Å; F738-F741 WeakPolarHBondContact O-CB 3.47Å; F738-F741 PolarHBondContact O-N 2.87Å; F738-F741 VanDerWaalsContact O-N 3.12Å; F738-V742 HydrophobicContact CD1-CG2 4.13Å; F738-V742 HydrophobicContact CD2-CG2 4.46Å; F738-V742 HydrophobicContact CE1-CG2 3.7Å; F738-V742 HydrophobicContact CE2-CG2 4.06Å; F738-V742 HydrophobicContact CG-CG2 4.49Å; F738-V742 HydrophobicContact CZ-CG2 3.66Å; F738-V742 WeakPolarHBondContact O-CG2 3.29Å; F738-V742 PolarHBondContact O-N 2.94Å; F738-L753 HydrophobicContact CE2-CD2 4.07Å; F738-L753 HydrophobicContact CZ-CD2 4.06Å; F738-F780 HydrophobicContact CE1-CE1 4.48Å; F738-F780 HydrophobicContact CZ-CE1 4.28Å; F738-F780 HydrophobicContact CZ-CZ 4.18Å; F738-I782 HydrophobicContact CD1-CD1 3.51Å; F738-I782 HydrophobicContact CD2-CD1 4.42Å; F738-I782 HydrophobicContact CE1-CD1 3.6Å; F738-I782 HydrophobicContact CE2-CD1 4.49Å; F738-I782 HydrophobicContact CG-CD1 3.95Å; F738-I782 HydrophobicContact CZ-CD1 4.1Å; F738-L801 HydrophobicContact CD2-CD2 4.04Å; F738-L801 HydrophobicContact CE2-CD2 3.48Å; F738-L801 VanDerWaalsContact CE2-CD2 3.48Å; F738-L801 HydrophobicContact CZ-CD2 4.15Å; F738-L803 HydrophobicContact CB-CD2 4.36Å; F738-L816 HydrophobicContact CD2-CD1 3.89Å; F738-L816 HydrophobicContact CE2-CD1 4.39Å
739W98.2Very high94.7Very high7 Ų756 Ų563%0.02728%0.277CS..Hα-helixtrans-67.6-34179.5-70.5116.9000113.1V716 W719 Q720 T723 Y725 V735 F741 V742 R743V716-W739 HydrophobicContact CG1-CE3 4.08Å; V716-W739 HydrophobicContact CG1-CZ3 4.16Å; W719-W739 HydrophobicContact CB-CH2 4.16Å; W719-W739 HydrophobicContact CB-CZ3 4.26Å; W719-W739 AromaticContact CD1-CH2 3.76Å; W719-W739 HydrophobicContact CD2-CH2 4.12Å; W719-W739 HydrophobicContact CD2-CZ3 4.15Å; W719-W739 HydrophobicContact CE3-CZ3 4.47Å; W719-W739 AromaticContact CG-CH2 3.73Å; W719-W739 HydrophobicContact CG-CH2 3.73Å; W719-W739 HydrophobicContact CG-CZ3 4.03Å; Q720-W739 VanDerWaalsContact CA-CH2 3.44Å; Q720-W739 VanDerWaalsContact CA-CZ2 3.46Å; Q720-W739 HydrophobicContact CB-CD2 3.93Å; Q720-W739 HydrophobicContact CB-CE3 3.94Å; Q720-W739 HydrophobicContact CB-CH2 3.85Å; Q720-W739 HydrophobicContact CB-CZ2 3.84Å; Q720-W739 HydrophobicContact CB-CZ3 3.89Å; Q720-W739 HydrophobicContact CG-CD2 3.78Å; Q720-W739 HydrophobicContact CG-CE3 4.29Å; Q720-W739 HydrophobicContact CG-CG 4.13Å; Q720-W739 HydrophobicContact CG-CH2 4.49Å; Q720-W739 HydrophobicContact CG-CZ2 3.99Å; T723-W739 HydrophobicContact CG2-CZ2 4.04Å; T723-W739 WeakPolarHBondContact OG1-CZ2 3.44Å; Y725-W739 PolarHBondContact OH-NE1 3.3Å; V735-W739 VanDerWaalsContact O-CD1 3.22Å; V735-W739 PolarHBondContact O-N 2.84Å; W739-F741 VanDerWaalsContact C-N 3.32Å; W739-V742 HydrophobicContact CE3-CB 4.2Å; W739-V742 HydrophobicContact CE3-CG1 4.31Å; W739-V742 HydrophobicContact CE3-CG2 4.4Å; W739-V742 HydrophobicContact CZ3-CG1 4.25Å; W739-V742 PolarHBondContact O-N 3.3Å; W739-R743 WeakPolarHBondContact O-CB 3.43Å; W739-R743 WeakPolarHBondContact O-CG 3.42Å; W739-R743 PolarHBondContact O-N 2.91Å
740K97.6Very high94.5Very high123 Ų12354.2 Ų54.254%0.53526%0.264SS..Hα-helixtrans-59.8-44.2170.1-177.7-177.9174.2-168.70111.1L736 W737 F738 S744 Y809L736-K740 WeakPolarHBondContact O-CB 3.03Å; L736-K740 PolarHBondContact O-N 3.15Å; W737-K740 PolarHBondContact O-N 3.36Å; F738-K740 VanDerWaalsContact C-N 3.34Å; F738-K740 PolarHBondContact O-N 2.8Å; K740-S744 PolarHBondContact O-N 3.04Å; K740-Y809 HydrophobicContact CB-CE2 3.99Å; K740-Y809 HydrophobicContact CD-CD2 3.89Å; K740-Y809 HydrophobicContact CD-CE2 3.68Å; K740-Y809 HydrophobicContact CG-CD2 4.39Å; K740-Y809 HydrophobicContact CG-CE2 3.74Å
741F97.7Very high94.2Very high5 Ų551.6 Ų51.62%0.02224%0.242CC..Hα-helixtrans-63.3-52.1176.2172.3-106.6000111.2W737 F738 W739 R743 S744 L745 Y809 L812 A813 L816 I820W737-F741 WeakPolarHBondContact O-CB 3.29Å; W737-F741 PolarHBondContact O-N 2.9Å; F738-F741 WeakPolarHBondContact O-CA 3.45Å; F738-F741 WeakPolarHBondContact O-CB 3.47Å; F738-F741 PolarHBondContact O-N 2.87Å; F738-F741 VanDerWaalsContact O-N 3.12Å; W739-F741 VanDerWaalsContact C-N 3.32Å; F741-R743 VanDerWaalsContact C-N 3.3Å; F741-R743 PolarHBondContact O-N 3.11Å; F741-S744 WeakPolarHBondContact O-CA 3.48Å; F741-S744 WeakPolarHBondContact O-CB 3.49Å; F741-S744 PolarHBondContact O-N 3.15Å; F741-S744 PolarHBondContact O-OG 3.49Å; F741-L745 HydrophobicContact CD1-CD1 4.22Å; F741-L745 HydrophobicContact CD1-CG 4.47Å; F741-L745 HydrophobicContact CD2-CD2 4.44Å; F741-L745 HydrophobicContact CE1-CD1 3.74Å; F741-L745 HydrophobicContact CE1-CD2 4.19Å; F741-L745 HydrophobicContact CE1-CG 4.18Å; F741-L745 HydrophobicContact CE2-CD2 3.81Å; F741-L745 HydrophobicContact CE2-CG 4.44Å; F741-L745 HydrophobicContact CZ-CD1 4.07Å; F741-L745 HydrophobicContact CZ-CD2 3.69Å; F741-L745 HydrophobicContact CZ-CG 4.18Å; F741-L745 WeakPolarHBondContact O-CG 3.21Å; F741-L745 PolarHBondContact O-N 2.9Å; F741-L745 VanDerWaalsContact O-N 3.14Å; F741-Y809 HydrophobicContact CB-CE2 4.12Å; F741-L812 HydrophobicContact CB-CD2 4.14Å; F741-L812 HydrophobicContact CG-CD2 4.49Å; F741-A813 HydrophobicContact CD2-CB 3.76Å; F741-A813 HydrophobicContact CE2-CB 4.05Å; F741-L816 HydrophobicContact CD1-CB 4.33Å; F741-L816 HydrophobicContact CD1-CD1 3.78Å; F741-L816 HydrophobicContact CE1-CB 3.67Å; F741-L816 HydrophobicContact CE1-CD1 3.93Å; F741-L816 HydrophobicContact CE1-CG 4.42Å; F741-L816 HydrophobicContact CZ-CB 3.92Å; F741-I820 HydrophobicContact CE1-CD1 4.09Å; F741-I820 HydrophobicContact CZ-CD1 4.26Å
742V97.4Very high93.8Very high0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-56-41.7179.51740000112.3V716 W719 F738 W739 S744 L745 R750 L753V716-V742 HydrophobicContact CG1-CG1 3.89Å; V716-V742 HydrophobicContact CG2-CG1 4.22Å; W719-V742 HydrophobicContact CE3-CG1 4.18Å; W719-V742 HydrophobicContact CZ3-CG1 4.03Å; F738-V742 HydrophobicContact CD1-CG2 4.13Å; F738-V742 HydrophobicContact CD2-CG2 4.46Å; F738-V742 HydrophobicContact CE1-CG2 3.7Å; F738-V742 HydrophobicContact CE2-CG2 4.06Å; F738-V742 HydrophobicContact CG-CG2 4.49Å; F738-V742 HydrophobicContact CZ-CG2 3.66Å; F738-V742 WeakPolarHBondContact O-CG2 3.29Å; F738-V742 PolarHBondContact O-N 2.94Å; W739-V742 HydrophobicContact CE3-CB 4.2Å; W739-V742 HydrophobicContact CE3-CG1 4.31Å; W739-V742 HydrophobicContact CE3-CG2 4.4Å; W739-V742 HydrophobicContact CZ3-CG1 4.25Å; W739-V742 PolarHBondContact O-N 3.3Å; V742-S744 VanDerWaalsContact C-N 3.29Å; V742-S744 PolarHBondContact O-N 3.1Å; V742-L745 WeakPolarHBondContact O-CB 3.45Å; V742-L745 PolarHBondContact O-N 2.85Å; V742-R750 HydrophobicContact CG1-CG 4.49Å; V742-R750 PolarHBondContact O-NE 2.92Å; V742-R750 VanDerWaalsContact O-NE 3.09Å; V742-L753 HydrophobicContact CG2-CD2 3.68Å
743R97Very high93.6Very high110 Ų11042.7 Ų42.742%0.41521%0.205SC..Hα-helixtrans-67-30.3176.9-71.5179.9-170.3-84.1-1.2112.6V716 D717 W739 F741 L745 R750V716-R743 HydrophobicContact CG1-CG 3.81Å; D717-R743 IonicContact OD1-CZ 2.78Å; D717-R743 IonicContact OD1-NH1 3.56Å; D717-R743 PolarHBondContact OD1-NH1 2.65Å; D717-R743 IonicContact OD1-NH2 3.36Å; D717-R743 PolarHBondContact OD1-NH2 2.83Å; W739-R743 WeakPolarHBondContact O-CB 3.43Å; W739-R743 WeakPolarHBondContact O-CG 3.42Å; W739-R743 PolarHBondContact O-N 2.91Å; F741-R743 VanDerWaalsContact C-N 3.3Å; F741-R743 PolarHBondContact O-N 3.11Å; R743-L745 VanDerWaalsContact C-N 3.35Å; R743-R750 PolarHBondContact O-NH2 3.13Å; R743-R750 VanDerWaalsContact O-NH2 3.13Å
744S94.8Very high93.4Very high76 Ų7639.5 Ų39.553%0.53119%0.185SC..Hα-helixtrans-75.9-19.8175.979.30000114.1K740 F741 V742K740-S744 PolarHBondContact O-N 3.04Å; F741-S744 WeakPolarHBondContact O-CA 3.48Å; F741-S744 WeakPolarHBondContact O-CB 3.49Å; F741-S744 PolarHBondContact O-N 3.15Å; F741-S744 PolarHBondContact O-OG 3.49Å; V742-S744 VanDerWaalsContact C-N 3.29Å; V742-S744 PolarHBondContact O-N 3.1Å
745L92.5Very high92.9Very high8 Ų838.4 Ų38.44%0.04218%0.179CC..SBendtrans-71147.1179.7-67.5-177.5000112.1F741 V742 R743 R749 R750 L753F741-L745 HydrophobicContact CD1-CD1 4.22Å; F741-L745 HydrophobicContact CD1-CG 4.47Å; F741-L745 HydrophobicContact CD2-CD2 4.44Å; F741-L745 HydrophobicContact CE1-CD1 3.74Å; F741-L745 HydrophobicContact CE1-CD2 4.19Å; F741-L745 HydrophobicContact CE1-CG 4.18Å; F741-L745 HydrophobicContact CE2-CD2 3.81Å; F741-L745 HydrophobicContact CE2-CG 4.44Å; F741-L745 HydrophobicContact CZ-CD1 4.07Å; F741-L745 HydrophobicContact CZ-CD2 3.69Å; F741-L745 HydrophobicContact CZ-CG 4.18Å; F741-L745 WeakPolarHBondContact O-CG 3.21Å; F741-L745 PolarHBondContact O-N 2.9Å; F741-L745 VanDerWaalsContact O-N 3.14Å; V742-L745 WeakPolarHBondContact O-CB 3.45Å; V742-L745 PolarHBondContact O-N 2.85Å; R743-L745 VanDerWaalsContact C-N 3.35Å; L745-R749 HydrophobicContact CB-CB 4.05Å; L745-R749 HydrophobicContact CD1-CB 4.18Å; L745-R749 HydrophobicContact CD2-CB 3.89Å; L745-R749 HydrophobicContact CG-CB 4.26Å; L745-R750 HydrophobicContact CB-CG 3.82Å; L745-R750 HydrophobicContact CD1-CG 4.49Å; L745-R750 PolarHBondContact O-NE 3.18Å; L745-R750 PolarHBondContact O-NH2 3.2Å; L745-L753 HydrophobicContact CD1-CD2 4.4Å
746T87.8Confident92.6Very high81 Ų8138.8 Ų38.850%0.49718%0.181SC..  trans-66.1159.8164.165.10000110.4Q748 R749 R750T746-Q748 PolarHBondContact O-N 3Å; T746-R749 PolarHBondContact O-N 3.46Å; T746-R749 VanDerWaalsContact O-N 3.08Å; T746-R749 PolarHBondContact OG1-N 3.26Å; T746-R750 WeakPolarHBondContact O-CG 3.48Å; T746-R750 PolarHBondContact O-N 3.09Å
747Q84.6Confident92.3Very high25 Ų2534.3 Ų34.312%0.11716%0.158CC..Hα-helixtrans-56.5-39.8-179.5-173.95137.100112.7M711 Q712 I714 R750 I751M711-Q747 HydrophobicContact CE-CB 4.25Å; M711-Q747 HydrophobicContact CE-CG 4.02Å; Q712-Q747 PolarHBondContact O-NE2 3.23Å; I714-Q747 VanDerWaalsContact CG1-NE2 3.29Å; Q747-R750 WeakPolarHBondContact O-CB 3.26Å; Q747-R750 PolarHBondContact O-N 3.15Å; Q747-I751 WeakPolarHBondContact O-CG1 3.48Å; Q747-I751 PolarHBondContact O-N 3.01Å
748Q80.7Confident91.7Very high40 Ų4032.1 Ų32.119%0.18715%0.151CC..Hα-helixtrans-60.3-46.1175.2-179.1-170.633.100112.8E455 M711 T746 R750 I751 R752E455-Q748 PolarHBondContact OE1-NE2 2.83Å; E455-Q748 PolarHBondContact OE1-OE1 2.87Å; E455-Q748 VanDerWaalsContact OE1-OE1 3.13Å; M711-Q748 HydrophobicContact CE-CB 3.98Å; M711-Q748 HydrophobicContact SD-CB 4.5Å; T746-Q748 PolarHBondContact O-N 3Å; Q748-R750 VanDerWaalsContact C-N 3.31Å; Q748-R750 PolarHBondContact O-N 2.94Å; Q748-I751 WeakPolarHBondContact O-CB 3.33Å; Q748-I751 PolarHBondContact O-N 2.93Å; Q748-R752 PolarHBondContact O-N 2.94Å
749R87.6Confident90.9Very high72 Ų7232.9 Ų32.927%0.27216%0.159SC..Hα-helixtrans-69.2-31.1178.6-66.2-170.978.8-171.12.7111.9L745 T746 R752 L753 S817 D821L745-R749 HydrophobicContact CB-CB 4.05Å; L745-R749 HydrophobicContact CD1-CB 4.18Å; L745-R749 HydrophobicContact CD2-CB 3.89Å; L745-R749 HydrophobicContact CG-CB 4.26Å; T746-R749 PolarHBondContact O-N 3.46Å; T746-R749 VanDerWaalsContact O-N 3.08Å; T746-R749 PolarHBondContact OG1-N 3.26Å; R749-R752 PolarHBondContact O-N 3.43Å; R749-L753 PolarHBondContact O-N 3.21Å; R749-S817 PolarHBondContact NH2-OG 3.47Å; R749-D821 IonicContact NH2-OD2 3.35Å
750R92.5Very high90.2Very high49 Ų4933.5 Ų33.519%0.18516%0.164CC..Hα-helixtrans-62.6-41.7170-66.2177.4-169.5157.43.8111.7I714 V742 R743 L745 T746 Q747 Q748 L753 L754I714-R750 HydrophobicContact CD1-CB 3.88Å; V742-R750 HydrophobicContact CG1-CG 4.49Å; V742-R750 PolarHBondContact O-NE 2.92Å; V742-R750 VanDerWaalsContact O-NE 3.09Å; R743-R750 PolarHBondContact O-NH2 3.13Å; R743-R750 VanDerWaalsContact O-NH2 3.13Å; L745-R750 HydrophobicContact CB-CG 3.82Å; L745-R750 HydrophobicContact CD1-CG 4.49Å; L745-R750 PolarHBondContact O-NE 3.18Å; L745-R750 PolarHBondContact O-NH2 3.2Å; T746-R750 WeakPolarHBondContact O-CG 3.48Å; T746-R750 PolarHBondContact O-N 3.09Å; Q747-R750 WeakPolarHBondContact O-CB 3.26Å; Q747-R750 PolarHBondContact O-N 3.15Å; Q748-R750 VanDerWaalsContact C-N 3.31Å; Q748-R750 PolarHBondContact O-N 2.94Å; R750-L753 PolarHBondContact O-N 2.87Å; R750-L754 PolarHBondContact O-N 2.84Å
751I88.6Confident89.5Confident3 Ų327.8 Ų27.82%0.01514%0.14CC..Hα-helixtrans-64.2-43.9176-70.4173.5000111.1V706 M711 I714 Q747 Q748 L753 L754 Q755 C761V706-I751 HydrophobicContact CG2-CG2 3.8Å; M711-I751 HydrophobicContact CB-CD1 3.62Å; M711-I751 HydrophobicContact CE-CD1 3.77Å; M711-I751 HydrophobicContact CG-CD1 3.49Å; M711-I751 VanDerWaalsContact CG-CD1 3.49Å; M711-I751 HydrophobicContact SD-CD1 4.1Å; I714-I751 HydrophobicContact CD1-CB 4.41Å; I714-I751 HydrophobicContact CD1-CG1 3.66Å; I714-I751 HydrophobicContact CG1-CG1 4.43Å; Q747-I751 WeakPolarHBondContact O-CG1 3.48Å; Q747-I751 PolarHBondContact O-N 3.01Å; Q748-I751 WeakPolarHBondContact O-CB 3.33Å; Q748-I751 PolarHBondContact O-N 2.93Å; I751-L753 VanDerWaalsContact C-N 3.31Å; I751-L753 PolarHBondContact O-N 3.14Å; I751-L754 WeakPolarHBondContact O-CB 3.49Å; I751-L754 PolarHBondContact O-N 2.64Å; I751-L754 VanDerWaalsContact O-N 3.11Å; I751-Q755 HydrophobicContact CG2-CG 4.43Å; I751-Q755 WeakPolarHBondContact O-CG 3.32Å; I751-Q755 PolarHBondContact O-N 2.85Å; I751-C761 HydrophobicContact CG2-CB 3.53Å
752R88.4Confident88.8Confident45 Ų4528.3 Ų28.317%0.1714%0.141CC..Hα-helixtrans-61.9-39.6176.1-70.8-169171.7-179.8-4.5112.2E703 Q748 R749 L754 Q755 F756 I820 D821E703-R752 IonicContact OE1-NH2 3.04Å; E703-R752 PolarHBondContact OE1-NH2 2.96Å; Q748-R752 PolarHBondContact O-N 2.94Å; R749-R752 PolarHBondContact O-N 3.43Å; R752-L754 VanDerWaalsContact C-N 3.35Å; R752-Q755 PolarHBondContact O-N 3.19Å; R752-F756 WeakPolarHBondContact O-CB 3.17Å; R752-F756 PolarHBondContact O-N 3.12Å; R752-I820 HydrophobicContact CB-CG2 3.3Å; R752-I820 HydrophobicContact CG-CG2 4.4Å; R752-D821 IonicContact NH1-OD1 3.79Å; R752-D821 PolarHBondContact NH1-OD1 3.18Å
753L93.3Very high88.1Confident0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-62.8-41.5172.4175.560.2000111.9W719 F738 V742 L745 R749 R750 I751 F756 V757 I820W719-L753 HydrophobicContact CH2-CB 4.5Å; W719-L753 HydrophobicContact CH2-CD2 3.94Å; W719-L753 HydrophobicContact CH2-CG 4.02Å; F738-L753 HydrophobicContact CE2-CD2 4.07Å; F738-L753 HydrophobicContact CZ-CD2 4.06Å; V742-L753 HydrophobicContact CG2-CD2 3.68Å; L745-L753 HydrophobicContact CD1-CD2 4.4Å; R749-L753 PolarHBondContact O-N 3.21Å; R750-L753 PolarHBondContact O-N 2.87Å; I751-L753 VanDerWaalsContact C-N 3.31Å; I751-L753 PolarHBondContact O-N 3.14Å; L753-F756 WeakPolarHBondContact O-CB 3.37Å; L753-F756 PolarHBondContact O-N 3.38Å; L753-V757 HydrophobicContact CD1-CG2 4.19Å; L753-V757 WeakPolarHBondContact O-CG2 3.36Å; L753-V757 PolarHBondContact O-N 3.23Å; L753-V757 VanDerWaalsContact O-N 3.15Å; L753-I820 HydrophobicContact CB-CD1 3.85Å; L753-I820 HydrophobicContact CB-CG1 4.22Å; L753-I820 HydrophobicContact CD1-CD1 3.96Å; L753-I820 HydrophobicContact CD1-CG1 4.1Å; L753-I820 HydrophobicContact CG-CD1 4.35Å
754L92.2Very high87.3Confident0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-60.5-51.4175.6-176.466.2000110.5I714 W719 R750 I751 R752 F756 V757 T758 V763 F768I714-L754 HydrophobicContact CD1-CB 4.25Å; I714-L754 HydrophobicContact CD1-CD2 4.01Å; W719-L754 HydrophobicContact CH2-CB 4.34Å; W719-L754 HydrophobicContact CZ2-CD1 4.23Å; R750-L754 PolarHBondContact O-N 2.84Å; I751-L754 WeakPolarHBondContact O-CB 3.49Å; I751-L754 PolarHBondContact O-N 2.64Å; I751-L754 VanDerWaalsContact O-N 3.11Å; R752-L754 VanDerWaalsContact C-N 3.35Å; L754-F756 VanDerWaalsContact C-N 3.27Å; L754-F756 PolarHBondContact O-N 3.33Å; L754-V757 PolarHBondContact O-N 2.92Å; L754-T758 HydrophobicContact CD1-CG2 3.67Å; L754-T758 HydrophobicContact CG-CG2 4.38Å; L754-T758 PolarHBondContact O-N 2.83Å; L754-T758 PolarHBondContact O-OG1 3.16Å; L754-V763 HydrophobicContact CD2-CG2 3.66Å; L754-F768 HydrophobicContact CD1-CE1 3.69Å; L754-F768 HydrophobicContact CD1-CZ 4.06Å
755Q88.4Confident86.3Confident4 Ų424.5 Ų24.52%0.01913%0.127CC..Hα-helixtrans-56-40.7175.5-75.7174.6-53.300112.4R702 E705 I751 R752 V757 G759 C761R702-Q755 PolarHBondContact O-NE2 3.28Å; E705-Q755 PolarHBondContact OE2-NE2 3.02Å; I751-Q755 HydrophobicContact CG2-CG 4.43Å; I751-Q755 WeakPolarHBondContact O-CG 3.32Å; I751-Q755 PolarHBondContact O-N 2.85Å; R752-Q755 PolarHBondContact O-N 3.19Å; Q755-V757 VanDerWaalsContact C-N 3.3Å; Q755-V757 PolarHBondContact O-N 3.44Å; Q755-G759 WeakPolarHBondContact O-CA 3.33Å; Q755-G759 PolarHBondContact O-N 2.96Å; Q755-C761 HydrophobicContact CG-CB 3.77Å
756F90.2Very high85.5Confident9 Ų926 Ų264%0.03914%0.144CC..Hα-helixtrans-58.8-42.3176.3177.9-105.9000111.6R752 L753 L754 S794 L801 A819R752-F756 WeakPolarHBondContact O-CB 3.17Å; R752-F756 PolarHBondContact O-N 3.12Å; L753-F756 WeakPolarHBondContact O-CB 3.37Å; L753-F756 PolarHBondContact O-N 3.38Å; L754-F756 VanDerWaalsContact C-N 3.27Å; L754-F756 PolarHBondContact O-N 3.33Å; F756-S794 WeakPolarHBondContact O-CB 3.46Å; F756-S794 PolarHBondContact O-OG 2.88Å; F756-L801 HydrophobicContact CD1-CD1 4.33Å; F756-L801 HydrophobicContact CE1-CD1 3.83Å; F756-A819 WeakPolarHBondContact CD2-O 3.49Å; F756-A819 HydrophobicContact CE2-CB 4.32Å; F756-A819 WeakPolarHBondContact CE2-O 3.43Å; F756-A819 HydrophobicContact CZ-CB 4.02Å
757V91.5Very high85.4Confident0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-90.2-29.2-174.5-176.40000114.1L753 L754 Q755 F780 T796 L801L753-V757 HydrophobicContact CD1-CG2 4.19Å; L753-V757 WeakPolarHBondContact O-CG2 3.36Å; L753-V757 PolarHBondContact O-N 3.23Å; L753-V757 VanDerWaalsContact O-N 3.15Å; L754-V757 PolarHBondContact O-N 2.92Å; Q755-V757 VanDerWaalsContact C-N 3.3Å; Q755-V757 PolarHBondContact O-N 3.44Å; V757-F780 HydrophobicContact CB-CD2 4.48Å; V757-F780 HydrophobicContact CB-CE2 3.62Å; V757-F780 HydrophobicContact CB-CZ 4.24Å; V757-F780 HydrophobicContact CG1-CD2 3.89Å; V757-F780 HydrophobicContact CG1-CE2 3.3Å; V757-F780 HydrophobicContact CG1-CZ 3.86Å; V757-F780 HydrophobicContact CG2-CE2 3.94Å; V757-F780 HydrophobicContact CG2-CZ 4.08Å; V757-T796 VanDerWaalsContact O-CA 3.29Å; V757-T796 WeakPolarHBondContact O-CA 3.44Å; V757-L801 HydrophobicContact CG1-CB 4.25Å; V757-L801 HydrophobicContact CG2-CB 4.06Å; V757-L801 HydrophobicContact CG2-CD1 4.11Å
758T87Confident85.7Confident17 Ų1721.7 Ų21.710%0.10412%0.122CC..Hα-helixtrans-114.1-11.8-173.769.60000113.4L754 T760 L771 N799L754-T758 HydrophobicContact CD1-CG2 3.67Å; L754-T758 HydrophobicContact CG-CG2 4.38Å; L754-T758 PolarHBondContact O-N 2.83Å; L754-T758 PolarHBondContact O-OG1 3.16Å; T758-T760 VanDerWaalsContact C-N 3.28Å; T758-T760 PolarHBondContact O-N 3.42Å; T758-T760 PolarHBondContact OG1-N 2.84Å; T758-T760 PolarHBondContact OG1-O 2.97Å; T758-L771 HydrophobicContact CG2-CD2 4.17Å; T758-N799 WeakPolarHBondContact CB-OD1 3.4Å; T758-N799 HydrophobicContact CG2-CB 4.39Å; T758-N799 WeakPolarHBondContact CG2-OD1 3.44Å
759G81.8Confident86.2Confident16 Ų1626.6 Ų26.617%0.16514%0.143CC..SBendtrans76.95.7-176.200000114.8L587 Q755L587-G759 WeakPolarHBondContact CD1-O 3.48Å; L587-G759 WeakPolarHBondContact CG-O 3.42Å; Q755-G759 WeakPolarHBondContact O-CA 3.33Å; Q755-G759 PolarHBondContact O-N 2.96Å
760T82.9Confident86.1Confident20 Ų2027 Ų2712%0.12315%0.151CC..SBendtrans-151.1150.7178.2-175.70000112E705 T758 R762E705-T760 WeakPolarHBondContact OE1-CA 3.4Å; E705-T760 WeakPolarHBondContact OE1-CB 3.34Å; E705-T760 PolarHBondContact OE1-OG1 3.29Å; T758-T760 VanDerWaalsContact C-N 3.28Å; T758-T760 PolarHBondContact O-N 3.42Å; T758-T760 PolarHBondContact OG1-N 2.84Å; T758-T760 PolarHBondContact OG1-O 2.97Å; T760-R762 HydrophobicContact CG2-CB 4.5Å; T760-R762 PolarHBondContact O-N 3.35Å; T760-R762 PolarHBondContact OG1-N 3.04Å; T760-R762 PolarHBondContact OG1-NE 3.5Å; T760-R762 VanDerWaalsContact OG1-NE 3.14Å
761C82.9Confident85.9Confident4 Ų425.1 Ų25.13%0.02714%0.144CC..SBendtrans-78.3-2.7174.868.40000114.2E705 V706 I751 Q755E705-C761 PolarHBondContact OE1-N 3.49Å; E705-C761 PolarHBondContact OE2-N 2.95Å; V706-C761 HydrophobicContact CG2-CB 3.95Å; I751-C761 HydrophobicContact CG2-CB 3.53Å; Q755-C761 HydrophobicContact CG-CB 3.77Å
762R82.2Confident85.5Confident16 Ų1626.9 Ų26.96%0.0615%0.153CC..PPolyproline II helixtrans-95135.2-170.1-65.6174.5-69.2165.3-4112.2Y546 G584 T760Y546-R762 VanDerWaalsContact O-CZ 3.31Å; Y546-R762 PolarHBondContact O-NH1 3.49Å; Y546-R762 VanDerWaalsContact O-NH1 3.08Å; Y546-R762 PolarHBondContact O-NH2 3.15Å; G584-R762 VanDerWaalsContact N-NH1 3.2Å; T760-R762 HydrophobicContact CG2-CB 4.5Å; T760-R762 PolarHBondContact O-N 3.35Å; T760-R762 PolarHBondContact OG1-N 3.04Å; T760-R762 PolarHBondContact OG1-NE 3.5Å; T760-R762 VanDerWaalsContact OG1-NE 3.14Å
763V83.2Confident85.1Confident28 Ų2824.9 Ų24.917%0.1715%0.146CC..PPolyproline II helixtrans-103.1140.1169.5-176.50000109.5L754 F768L754-V763 HydrophobicContact CD2-CG2 3.66Å; V763-F768 HydrophobicContact CG1-CD2 4.17Å; V763-F768 HydrophobicContact CG1-CE2 4.19Å; V763-F768 HydrophobicContact CG2-CE2 4.09Å; V763-F768 HydrophobicContact CG2-CZ 3.99Å
764P80.4Confident84.1Confident12 Ų1226.2 Ų26.28%0.07815%0.153CC..PPolyproline II helixtrans-57.6156.9174.2-26.635.7000113.3Y546 G766 G767 N770 L771Y546-P764 HydrophobicContact CE2-CG 4.16Å; Y546-P764 WeakPolarHBondContact OH-CB 3.38Å; Y546-P764 WeakPolarHBondContact OH-CG 3.34Å; P764-G766 PolarHBondContact O-N 3.2Å; P764-G766 VanDerWaalsContact O-N 3.11Å; P764-G767 PolarHBondContact O-N 3.03Å; P764-N770 HydrophobicContact CB-CB 4.04Å; P764-N770 WeakPolarHBondContact CG-O 3.23Å; P764-L771 HydrophobicContact CG-CD1 4.28Å
765V73Confident83.3Confident66 Ų6632.4 Ų32.440%0.419%0.187SC..THydrogen-bonded Turntrans-52.6-35.3178169.20000113.7R329 I332 G767R329-V765 HydrophobicContact CG-CG2 4.47Å; I332-V765 HydrophobicContact CD1-CB 3.84Å; I332-V765 HydrophobicContact CD1-CG1 3.19Å; I332-V765 HydrophobicContact CD1-CG2 3.61Å; I332-V765 HydrophobicContact CG1-CG1 3.99Å; I332-V765 HydrophobicContact CG1-CG2 4.42Å; V765-G767 VanDerWaalsContact C-N 3.33Å
766G77.1Confident82.8Confident39 Ų3932.8 Ų32.840%0.40219%0.192SC..THydrogen-bonded Turntrans-9319178.300000114.6P764P764-G766 PolarHBondContact O-N 3.2Å; P764-G766 VanDerWaalsContact O-N 3.11Å
767G85.3Confident82.5Confident14 Ų1438 Ų3814%0.14423%0.226CC..  trans75.9-164.3-178.800000113.8D718 P764 V765 K769 N770D718-G767 VanDerWaalsContact OD2-CA 3.27Å; D718-G767 WeakPolarHBondContact OD2-CA 3.27Å; P764-G767 PolarHBondContact O-N 3.03Å; V765-G767 VanDerWaalsContact C-N 3.33Å; G767-K769 PolarHBondContact O-N 3.12Å; G767-N770 PolarHBondContact O-N 3.44Å; G767-N770 VanDerWaalsContact O-N 3.16Å
768F91.3Very high82.4Confident2 Ų240.4 Ų40.41%0.00924%0.237CC..G310 helixtrans-64.9-20.8-177-77.6-91.8000113.5I714 D718 W719 H722 L754 V763 N770 L771I714-F768 HydrophobicContact CG2-CE2 4.05Å; I714-F768 HydrophobicContact CG2-CZ 4.02Å; D718-F768 WeakPolarHBondContact OD2-CD2 3.39Å; D718-F768 PolarHBondContact OD2-N 2.9Å; W719-F768 HydrophobicContact CB-CD1 4.18Å; W719-F768 HydrophobicContact CB-CD2 3.69Å; W719-F768 HydrophobicContact CB-CE1 4.06Å; W719-F768 HydrophobicContact CB-CE2 3.57Å; W719-F768 HydrophobicContact CB-CG 4Å; W719-F768 HydrophobicContact CB-CZ 3.76Å; W719-F768 AromaticContact CD1-CD1 3.38Å; W719-F768 AromaticContact CD1-CE1 3.31Å; W719-F768 AromaticContact CD1-CG 3.99Å; W719-F768 AromaticContact CD1-CZ 3.88Å; W719-F768 HydrophobicContact CD2-CD1 4.44Å; W719-F768 AromaticContact CD2-CE1 3.64Å; W719-F768 HydrophobicContact CD2-CE1 3.64Å; W719-F768 HydrophobicContact CD2-CE2 4.27Å; W719-F768 AromaticContact CD2-CZ 3.55Å; W719-F768 HydrophobicContact CD2-CZ 3.55Å; W719-F768 AromaticContact CE2-CE1 3.67Å; W719-F768 HydrophobicContact CE3-CE1 4.45Å; W719-F768 AromaticContact CE3-CZ 3.96Å; W719-F768 HydrophobicContact CE3-CZ 3.96Å; W719-F768 AromaticContact CG-CD1 3.77Å; W719-F768 HydrophobicContact CG-CD1 3.77Å; W719-F768 HydrophobicContact CG-CD2 4.14Å; W719-F768 AromaticContact CG-CE1 3.42Å; W719-F768 HydrophobicContact CG-CE1 3.42Å; W719-F768 VanDerWaalsContact CG-CE1 3.42Å; W719-F768 AromaticContact CG-CE2 3.84Å; W719-F768 HydrophobicContact CG-CE2 3.84Å; W719-F768 HydrophobicContact CG-CG 4.11Å; W719-F768 AromaticContact CG-CZ 3.47Å; W719-F768 HydrophobicContact CG-CZ 3.47Å; W719-F768 VanDerWaalsContact CG-CZ 3.47Å; W719-F768 HydrophobicContact CZ2-CE1 4.46Å; W719-F768 AromaticContact NE1-CD1 3.88Å; W719-F768 AromaticContact NE1-CE1 3.49Å; H722-F768 HydrophobicContact CB-CB 3.95Å; L754-F768 HydrophobicContact CD1-CE1 3.69Å; L754-F768 HydrophobicContact CD1-CZ 4.06Å; V763-F768 HydrophobicContact CG1-CD2 4.17Å; V763-F768 HydrophobicContact CG1-CE2 4.19Å; V763-F768 HydrophobicContact CG2-CE2 4.09Å; V763-F768 HydrophobicContact CG2-CZ 3.99Å; F768-N770 PolarHBondContact O-N 3.28Å; F768-L771 WeakPolarHBondContact O-CB 3.41Å; F768-L771 PolarHBondContact O-N 3.28Å
769K90.9Very high82.7Confident142 Ų14241.6 Ų41.662%0.61725%0.245SC*.G310 helixtrans-56.8-35.8172.6-172.8176.7173.7179.60113G767G767-K769 PolarHBondContact O-N 3.12Å
770N85.9Confident83.4Confident82 Ų8240.8 Ų40.844%0.43924%0.237SC..G310 helixtrans-10118-173.8-69.8-12000112.2P764 G767 F768 M772P764-N770 HydrophobicContact CB-CB 4.04Å; P764-N770 WeakPolarHBondContact CG-O 3.23Å; G767-N770 PolarHBondContact O-N 3.44Å; G767-N770 VanDerWaalsContact O-N 3.16Å; F768-N770 PolarHBondContact O-N 3.28Å; N770-M772 PolarHBondContact O-N 2.81Å
771L86.9Confident84.1Confident9 Ų939.9 Ų39.95%0.04723%0.232CC..  trans-58.6134.1176.8-155.270.7000109.8T758 P764 F768 Q778 F780 N799T758-L771 HydrophobicContact CG2-CD2 4.17Å; P764-L771 HydrophobicContact CG-CD1 4.28Å; F768-L771 WeakPolarHBondContact O-CB 3.41Å; F768-L771 PolarHBondContact O-N 3.28Å; L771-Q778 CarbonylContact C-O 3.52Å; L771-Q778 CarbonylContact O-C 3.35Å; L771-Q778 PolarHBondContact O-N 3.16Å; L771-F780 HydrophobicContact CD2-CB 4.15Å; L771-N799 HydrophobicContact CD2-CB 3.69Å; L771-N799 VanDerWaalsContact CD2-CG 3.48Å; L771-N799 WeakPolarHBondContact CD2-ND2 3.46Å; L771-N799 WeakPolarHBondContact CG-ND2 3.43Å
772M81.4Confident84.8Confident39 Ų3939.7 Ų39.719%0.19223%0.23CC..EExtended strand (participates in β ladder)trans-111.3147.9179.1-59.5-176.169.900109.7N545 Y546 N770 G776 N799N545-M772 HydrophobicContact CB-CE 4.35Å; N545-M772 HydrophobicContact CB-SD 4.09Å; Y546-M772 HydrophobicContact CD2-CB 4.15Å; Y546-M772 HydrophobicContact CD2-SD 4.45Å; Y546-M772 HydrophobicContact CE2-CB 3.72Å; Y546-M772 HydrophobicContact CE2-CG 3.65Å; Y546-M772 HydrophobicContact CE2-SD 3.67Å; N770-M772 PolarHBondContact O-N 2.81Å; M772-G776 WeakPolarHBondContact CA-O 2.94Å; M772-N799 PolarHBondContact O-ND2 3.22Å
773G80.3Confident85.5Confident3 Ų339.7 Ų39.73%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-123.1-163.9169.500000110N775 G776 C797G773-N775 PolarHBondContact O-N 2.78Å; G773-G776 PolarHBondContact N-O 2.86Å; G773-G776 PolarHBondContact O-N 2.8Å; G773-C797 CarbonylContact C-O 3.39Å; G773-C797 VanDerWaalsContact CA-O 3.23Å; G773-C797 WeakPolarHBondContact CA-O 3.33Å
774N71.8Confident86.2Confident28 Ų2843 Ų4315%0.1524%0.241CC..THydrogen-bonded Turntrans-59.7-32.9-177.4-171.276.1000113.5S542 G543 V608 C797S542-N774 WeakPolarHBondContact CB-OD1 3.36Å; S542-N774 PolarHBondContact OG-OD1 2.86Å; G543-N774 WeakPolarHBondContact CA-O 3.42Å; G543-N774 PolarHBondContact N-O 3.16Å; G543-N774 VanDerWaalsContact N-O 3.17Å; V608-N774 HydrophobicContact CG2-CB 4.25Å; N774-C797 HydrophobicContact CB-CB 3.86Å; N774-C797 PolarHBondContact N-O 2.78Å
775N74.4Confident86.8Confident131 Ų13144.1 Ų44.170%0.70125%0.246SC*.THydrogen-bonded Turntrans-106.119.9-173.6-60.6-8000112.8G773G773-N775 PolarHBondContact O-N 2.78Å
776G77.7Confident87.6Confident12 Ų1242 Ų4212%0.12424%0.238CC..EExtended strand (participates in β ladder)trans102-147.8-177.900000113.3M772 G773 Q778M772-G776 WeakPolarHBondContact CA-O 2.94Å; G773-G776 PolarHBondContact N-O 2.86Å; G773-G776 PolarHBondContact O-N 2.8Å; G776-Q778 PolarHBondContact O-N 2.87Å; G776-Q778 VanDerWaalsContact O-N 3.16Å
777P85.1Confident88.4Confident117 Ų11746.6 Ų46.676%0.7625%0.247SC*.EExtended strand (participates in β ladder)trans-56.7118.5-178.1-24.634.5000112
778Q88.3Confident88.7Confident52 Ų5247.6 Ų47.624%0.24325%0.249CC..  trans-145.5102.2-172.4179.760.864.300108.9L771 G776 F798 N799L771-Q778 CarbonylContact C-O 3.52Å; L771-Q778 CarbonylContact O-C 3.35Å; L771-Q778 PolarHBondContact O-N 3.16Å; G776-Q778 PolarHBondContact O-N 2.87Å; G776-Q778 VanDerWaalsContact O-N 3.16Å; Q778-F798 VanDerWaalsContact CG-O 3.23Å; Q778-F798 WeakPolarHBondContact CG-O 3.46Å; Q778-F798 PolarHBondContact NE2-O 2.91Å; Q778-N799 PolarHBondContact O-ND2 3.49Å
779P93.4Very high88.7Confident41 Ų4151 Ų5127%0.26627%0.273SS..  trans-67.2161.4-179.229.9-35.6000111.1T724 C781T724-P779 HydrophobicContact CG2-CB 4.11Å; T724-P779 HydrophobicContact CG2-CG 3.63Å; P779-C781 PolarHBondContact O-N 3.15Å
780F96.5Very high88.7Confident0 Ų049.1 Ų49.10%026%0.262CS..  trans-58.2135.4170.2-170.8-87.3000110W719 T723 T724 F738 V757 L771 I782 N799W719-F780 AromaticContact CE2-CE2 3.83Å; W719-F780 HydrophobicContact CZ2-CD2 4.13Å; W719-F780 AromaticContact CZ2-CE2 3.53Å; W719-F780 HydrophobicContact CZ2-CE2 3.53Å; W719-F780 AromaticContact CZ2-CZ 3.8Å; W719-F780 HydrophobicContact CZ2-CZ 3.8Å; W719-F780 AromaticContact NE1-CD1 3.54Å; W719-F780 AromaticContact NE1-CD2 3.28Å; W719-F780 VanDerWaalsContact NE1-CD2 3.28Å; W719-F780 AromaticContact NE1-CE1 3.77Å; W719-F780 AromaticContact NE1-CE2 3.5Å; W719-F780 AromaticContact NE1-CG 3.29Å; W719-F780 VanDerWaalsContact NE1-CG 3.29Å; W719-F780 AromaticContact NE1-CZ 3.76Å; T723-F780 WeakPolarHBondContact CA-O 3.49Å; T723-F780 HydrophobicContact CG2-CD1 3.75Å; T723-F780 HydrophobicContact CG2-CE1 4.37Å; T723-F780 WeakPolarHBondContact OG1-CD1 3.36Å; T724-F780 PolarHBondContact N-O 3.01Å; T724-F780 PolarHBondContact OG1-O 3.06Å; T724-F780 VanDerWaalsContact OG1-O 3.09Å; F738-F780 HydrophobicContact CE1-CE1 4.48Å; F738-F780 HydrophobicContact CZ-CE1 4.28Å; F738-F780 HydrophobicContact CZ-CZ 4.18Å; V757-F780 HydrophobicContact CB-CD2 4.48Å; V757-F780 HydrophobicContact CB-CE2 3.62Å; V757-F780 HydrophobicContact CB-CZ 4.24Å; V757-F780 HydrophobicContact CG1-CD2 3.89Å; V757-F780 HydrophobicContact CG1-CE2 3.3Å; V757-F780 HydrophobicContact CG1-CZ 3.86Å; V757-F780 HydrophobicContact CG2-CE2 3.94Å; V757-F780 HydrophobicContact CG2-CZ 4.08Å; L771-F780 HydrophobicContact CD2-CB 4.15Å; F780-I782 HydrophobicContact CD1-CG1 4.31Å; F780-I782 HydrophobicContact CE1-CD1 4.14Å; F780-I782 HydrophobicContact CE1-CG1 3.7Å; F780-N799 WeakPolarHBondContact CA-O 3.37Å
781C97.2Very high89Confident1 Ų147.9 Ų47.91%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-132.3132.2-173.9-169.30000111.6T724 P779 N799 R800 L801T724-C781 CarbonylContact O-C 3.58Å; T724-C781 VanDerWaalsContact O-CA 3.32Å; T724-C781 WeakPolarHBondContact O-CA 3.27Å; T724-C781 WeakPolarHBondContact OG1-CB 3.49Å; T724-C781 PolarHBondContact OG1-SG 3.46Å; P779-C781 PolarHBondContact O-N 3.15Å; C781-N799 PolarHBondContact N-O 2.9Å; C781-R800 HydrophobicContact CB-CB 4.29Å; C781-R800 HydrophobicContact CB-CG 4.23Å; C781-R800 CarbonylContact O-C 3.52Å; C781-R800 VanDerWaalsContact O-CA 3.3Å; C781-R800 WeakPolarHBondContact O-CA 3.37Å; C781-L801 PolarHBondContact O-N 3.22Å
782I98.1Very high89.4Confident0 Ų047.5 Ų47.50%025%0.253CS..EExtended strand (participates in β ladder)trans-109.6124.1169.4-55.1-178.8000108.6T723 T724 Y725 K726 Y728 F738 F780 L801 L803T723-I782 HydrophobicContact CG2-CD1 4.28Å; T723-I782 HydrophobicContact CG2-CG1 4.14Å; T724-I782 PolarHBondContact O-N 2.88Å; Y725-I782 WeakPolarHBondContact CA-O 3.49Å; Y725-I782 HydrophobicContact CD1-CB 4.14Å; Y725-I782 HydrophobicContact CE1-CD1 4.13Å; K726-I782 PolarHBondContact N-O 2.93Å; Y728-I782 HydrophobicContact CD2-CG2 4.3Å; F738-I782 HydrophobicContact CD1-CD1 3.51Å; F738-I782 HydrophobicContact CD2-CD1 4.42Å; F738-I782 HydrophobicContact CE1-CD1 3.6Å; F738-I782 HydrophobicContact CE2-CD1 4.49Å; F738-I782 HydrophobicContact CG-CD1 3.95Å; F738-I782 HydrophobicContact CZ-CD1 4.1Å; F780-I782 HydrophobicContact CD1-CG1 4.31Å; F780-I782 HydrophobicContact CE1-CD1 4.14Å; F780-I782 HydrophobicContact CE1-CG1 3.7Å; I782-L801 WeakPolarHBondContact CA-O 3.5Å; I782-L803 HydrophobicContact CG2-CB 3.74Å; I782-L803 HydrophobicContact CG2-CD2 3.87Å; I782-L803 HydrophobicContact CG2-CG 4.48Å
783E97.7Very high89.8Confident15 Ų1550.2 Ų50.27%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-119.4135.6-179.8-171.6168173.100111.9K726 K727 I785 R800 L801 L803K726-E783 HydrophobicContact CB-CB 3.94Å; K726-E783 HydrophobicContact CB-CG 3.63Å; K726-E783 HydrophobicContact CD-CG 4.45Å; K726-E783 WeakPolarHBondContact CD-OE2 3.44Å; K726-E783 WeakPolarHBondContact O-CA 3.46Å; K727-E783 IonicContact NZ-OE1 2.83Å; K727-E783 PolarHBondContact NZ-OE1 2.91Å; E783-I785 HydrophobicContact CB-CG1 4.34Å; E783-I785 HydrophobicContact CG-CD1 4.09Å; E783-I785 HydrophobicContact CG-CG1 3.83Å; E783-I785 PolarHBondContact O-N 3.12Å; E783-R800 HydrophobicContact CB-CG 4.24Å; E783-R800 WeakPolarHBondContact OE2-CD 3.3Å; E783-R800 IonicContact OE2-CZ 2.66Å; E783-R800 IonicContact OE2-NE 3.74Å; E783-R800 IonicContact OE2-NH1 2.86Å; E783-R800 PolarHBondContact OE2-NH1 2.69Å; E783-L801 PolarHBondContact N-O 3.01Å; E783-L803 PolarHBondContact O-N 3.02Å
784Y96.6Very high90.3Very high98 Ų9851.1 Ų51.138%0.38427%0.267SS..EExtended strand (participates in β ladder)trans-66.5114.7166.9178.3-70.4000108.9K726 Y728 P805K726-Y784 PolarHBondContact O-N 3.41Å; K726-Y784 VanDerWaalsContact O-N 3.08Å; Y728-Y784 AromaticContact CE1-CD2 3.78Å; Y728-Y784 HydrophobicContact CE1-CD2 3.78Å; Y728-Y784 VanDerWaalsContact CE2-CA 3.44Å; Y728-Y784 HydrophobicContact CE2-CD2 4.2Å; Y728-Y784 HydrophobicContact CE2-CG 4.32Å; Y728-Y784 AromaticContact CZ-CD2 3.58Å; Y784-P805 HydrophobicContact CD2-CB 4.15Å; Y784-P805 HydrophobicContact CE2-CB 3.46Å; Y784-P805 VanDerWaalsContact CE2-CB 3.46Å; Y784-P805 HydrophobicContact CE2-CG 3.8Å
785I93.4Very high91Very high35 Ų3551 Ų5118%0.17927%0.265CS..  trans-143.8134.7172.4-60.7-162.6000109.7E783 W790 D802 P804E783-I785 HydrophobicContact CB-CG1 4.34Å; E783-I785 HydrophobicContact CG-CD1 4.09Å; E783-I785 HydrophobicContact CG-CG1 3.83Å; E783-I785 PolarHBondContact O-N 3.12Å; I785-W790 HydrophobicContact CG2-CZ3 4.46Å; I785-D802 HydrophobicContact CB-CB 4.06Å; I785-D802 HydrophobicContact CD1-CB 4.41Å; I785-D802 WeakPolarHBondContact CD1-OD1 3.42Å; I785-D802 WeakPolarHBondContact CD1-OD2 3.35Å; I785-D802 HydrophobicContact CG1-CB 4.42Å; I785-P804 WeakPolarHBondContact O-CA 3.48Å
786G91Very high91.6Very high22 Ų2245.9 Ų45.923%0.22724%0.239CC..SBendtrans92.4-162.4167.100000116.1W790 P805G786-W790 VanDerWaalsContact CA-CZ3 3.41Å; G786-P805 WeakPolarHBondContact O-CD 3.45Å
787K92.3Very high91.6Very high136 Ų13645.5 Ų45.559%0.59123%0.234SC*.  trans-111.1155.5179.4-61.8176.5-176.8173.30109.3S789 W790 P804K787-S789 PolarHBondContact O-N 3.42Å; K787-W790 WeakPolarHBondContact O-CB 3.45Å; K787-W790 PolarHBondContact O-N 3.48Å; K787-P804 VanDerWaalsContact O-CB 3.31Å; K787-P804 WeakPolarHBondContact O-CB 3.41Å
788D91.6Very high91.7Very high35 Ų3543 Ų4319%0.18721%0.212CC..THydrogen-bonded Turntrans-56.1-17.4176.160.9-13.9000115.3Y806 R807 Q811D788-Y806 WeakPolarHBondContact O-CD1 3.34Å; D788-Y806 WeakPolarHBondContact O-CE1 3.35Å; D788-R807 IonicContact OD2-CZ 3.05Å; D788-R807 IonicContact OD2-NE 2.64Å; D788-R807 PolarHBondContact OD2-NE 2.85Å; D788-R807 IonicContact OD2-NH2 2.76Å; D788-R807 PolarHBondContact OD2-NH2 3.03Å; D788-Q811 PolarHBondContact O-NE2 3.3Å
789S91.8Very high91.8Very high73 Ų7340.8 Ų40.851%0.5120%0.201SC..THydrogen-bonded Turntrans-76.8-24.9173.262.30000113.7K787 K815K787-S789 PolarHBondContact O-N 3.42Å; S789-K815 PolarHBondContact O-NZ 3.26Å
790W91.9Very high91.8Very high103 Ų10341 Ų4139%0.3920%0.197SC..SBendtrans-71.9153.9-174.8-67.33.7000111.6I785 G786 K787 P804 Y806I785-W790 HydrophobicContact CG2-CZ3 4.46Å; G786-W790 VanDerWaalsContact CA-CZ3 3.41Å; K787-W790 WeakPolarHBondContact O-CB 3.45Å; K787-W790 PolarHBondContact O-N 3.48Å; W790-P804 HydrophobicContact CB-CG 4.11Å; W790-Y806 WeakPolarHBondContact O-CE1 3.45Å; W790-Y806 PolarHBondContact O-OH 2.78Å
791L92.4Very high91.8Very high56 Ų5641 Ų4129%0.29320%0.197SC..PPolyproline II helixtrans-78.9152.1166.5-76.2168.2000110K815 Y818L791-K815 HydrophobicContact CD2-CB 4.36Å; L791-K815 HydrophobicContact CD2-CD 3.55Å; L791-K815 HydrophobicContact CG-CD 4.43Å; L791-Y818 HydrophobicContact CD1-CD1 3.83Å; L791-Y818 HydrophobicContact CD1-CE1 3.79Å; L791-Y818 HydrophobicContact CD2-CD1 3.65Å; L791-Y818 HydrophobicContact CD2-CE1 4.4Å; L791-Y818 HydrophobicContact CD2-CG 4.44Å; L791-Y818 HydrophobicContact CG-CD1 4.43Å
792P94.2Very high91.8Very high0 Ų041.1 Ų41.10%020%0.197CC..PPolyproline II helixtrans-68148.3172.729.8-26.5000109.5L801 D802 Y806 L816 A819P792-L801 HydrophobicContact CB-CD1 4.17Å; P792-D802 WeakPolarHBondContact CA-O 3.48Å; P792-Y806 WeakPolarHBondContact CD-OH 3.27Å; P792-L816 HydrophobicContact CB-CD2 4Å; P792-L816 HydrophobicContact CG-CD2 3.72Å; P792-L816 HydrophobicContact CG-CG 4.26Å; P792-A819 HydrophobicContact CG-CB 3.63Å
793R91.1Very high91.8Very high96 Ų9641.1 Ų41.136%0.36220%0.197SC..EExtended strand (participates in β ladder)trans-127.8158.4-180-63-175.4-60.8-173.91.8110.4D802 F826R793-D802 HydrophobicContact CB-CB 4.13Å; R793-D802 PolarHBondContact N-O 3.45Å; R793-D802 VanDerWaalsContact N-O 3.15Å; R793-D802 IonicContact NE-OD2 3.36Å; R793-D802 IonicContact NH2-OD2 3.57Å; R793-D802 WeakPolarHBondContact O-CB 3.37Å; R793-D802 PolarHBondContact O-N 3.02Å; R793-F826 HydrophobicContact CG-CE1 3.91Å; R793-F826 HydrophobicContact CG-CZ 4.3Å
794S90Very high91.7Very high22 Ų2240.5 Ų40.515%0.15419%0.194CC..EExtended strand (participates in β ladder)trans-122.8152.1176.7570000112F756 R800F756-S794 WeakPolarHBondContact O-CB 3.46Å; F756-S794 PolarHBondContact O-OG 2.88Å; S794-R800 CarbonylContact C-O 3.47Å; S794-R800 VanDerWaalsContact CA-O 3.29Å; S794-R800 WeakPolarHBondContact CA-O 3.41Å
795H87.5Confident91.7Very high27 Ų2737 Ų3713%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-124.494.9165.8-62.3-86.4000108E604 C797 F798 N799 R800 D802E604-H795 IonicContact OE1-CE1 3.02Å; E604-H795 IonicContact OE1-CG 3.21Å; E604-H795 IonicContact OE1-ND1 2.77Å; E604-H795 PolarHBondContact OE1-ND1 3.3Å; H795-C797 VanDerWaalsContact C-N 3.27Å; H795-C797 PolarHBondContact O-N 3.44Å; H795-F798 HydrophobicContact CB-CD2 3.87Å; H795-F798 CarbonylContact O-C 3.6Å; H795-F798 PolarHBondContact O-N 3.46Å; H795-N799 PolarHBondContact O-N 3.3Å; H795-N799 VanDerWaalsContact O-N 3.12Å; H795-R800 HydrophobicContact CB-CB 4.36Å; H795-R800 PolarHBondContact CD2-NE 3.31Å; H795-R800 PolarHBondContact CD2-NH2 3.23Å; H795-R800 PolarHBondContact N-O 3.09Å; H795-R800 PolarHBondContact NE2-NH2 2.84Å; H795-R800 PolarHBondContact O-N 2.93Å; H795-R800 VanDerWaalsContact O-N 3.15Å; H795-D802 IonicContact CD2-OD1 2.73Å; H795-D802 PolarHBondContact CD2-OD1 3.46Å; H795-D802 IonicContact CD2-OD2 2.82Å; H795-D802 IonicContact NE2-OD1 3.2Å; H795-D802 IonicContact NE2-OD2 2.67Å; H795-D802 PolarHBondContact NE2-OD2 3.36Å
796T84.9Confident91.9Very high22 Ų2235.4 Ų35.414%0.13518%0.176CC..G310 helixtrans-59.2-38.6-171.854.60000112.5V757 F798 N799V757-T796 VanDerWaalsContact O-CA 3.29Å; V757-T796 WeakPolarHBondContact O-CA 3.44Å; T796-F798 PolarHBondContact O-N 2.96Å; T796-F798 VanDerWaalsContact O-N 3.15Å; T796-N799 PolarHBondContact O-N 3.22Å; T796-N799 VanDerWaalsContact O-N 3.1Å; T796-N799 PolarHBondContact O-OD1 3.07Å
797C79.4Confident92.2Very high4 Ų443.7 Ų43.73%0.02720%0.2CC..G310 helixtrans-60.8-24.5176.5-81.70000115.1E604 V608 G773 N774 H795E604-C797 PolarHBondContact O-SG 3.12Å; V608-C797 HydrophobicContact CG2-CB 3.64Å; V608-C797 WeakPolarHBondContact CG2-SG 3.48Å; G773-C797 CarbonylContact C-O 3.39Å; G773-C797 VanDerWaalsContact CA-O 3.23Å; G773-C797 WeakPolarHBondContact CA-O 3.33Å; N774-C797 HydrophobicContact CB-CB 3.86Å; N774-C797 PolarHBondContact N-O 2.78Å; H795-C797 VanDerWaalsContact C-N 3.27Å; H795-C797 PolarHBondContact O-N 3.44Å
798F86.2Confident92.4Very high66 Ų6639 Ų3929%0.28919%0.185SC..G310 helixtrans-109.43179.1-54.9-65.7000112.9V608 Q778 H795 T796 R800V608-F798 HydrophobicContact CG1-CZ 4.4Å; Q778-F798 VanDerWaalsContact CG-O 3.23Å; Q778-F798 WeakPolarHBondContact CG-O 3.46Å; Q778-F798 PolarHBondContact NE2-O 2.91Å; H795-F798 HydrophobicContact CB-CD2 3.87Å; H795-F798 CarbonylContact O-C 3.6Å; H795-F798 PolarHBondContact O-N 3.46Å; T796-F798 PolarHBondContact O-N 2.96Å; T796-F798 VanDerWaalsContact O-N 3.15Å; F798-R800 HydrophobicContact CB-CB 4.12Å; F798-R800 PolarHBondContact O-N 2.82Å
799N90.9Very high92.7Very high4 Ų439.4 Ų39.42%0.02118%0.184CC..THydrogen-bonded Turntrans48.939.1-170.4-58.4-48.3000111.8T758 L771 M772 Q778 F780 C781 H795 T796T758-N799 WeakPolarHBondContact CB-OD1 3.4Å; T758-N799 HydrophobicContact CG2-CB 4.39Å; T758-N799 WeakPolarHBondContact CG2-OD1 3.44Å; L771-N799 HydrophobicContact CD2-CB 3.69Å; L771-N799 VanDerWaalsContact CD2-CG 3.48Å; L771-N799 WeakPolarHBondContact CD2-ND2 3.46Å; L771-N799 WeakPolarHBondContact CG-ND2 3.43Å; M772-N799 PolarHBondContact O-ND2 3.22Å; Q778-N799 PolarHBondContact O-ND2 3.49Å; F780-N799 WeakPolarHBondContact CA-O 3.37Å; C781-N799 PolarHBondContact N-O 2.9Å; H795-N799 PolarHBondContact O-N 3.3Å; H795-N799 VanDerWaalsContact O-N 3.12Å; T796-N799 PolarHBondContact O-N 3.22Å; T796-N799 VanDerWaalsContact O-N 3.1Å; T796-N799 PolarHBondContact O-OD1 3.07Å
800R94.2Very high93Very high46 Ų4641.8 Ų41.817%0.17419%0.187CC..EExtended strand (participates in β ladder)trans-107.7130-172.1-173.6179.677.7-166.9-11.8111.8C781 E783 S794 H795 F798 D802C781-R800 HydrophobicContact CB-CB 4.29Å; C781-R800 HydrophobicContact CB-CG 4.23Å; C781-R800 CarbonylContact O-C 3.52Å; C781-R800 VanDerWaalsContact O-CA 3.3Å; C781-R800 WeakPolarHBondContact O-CA 3.37Å; E783-R800 HydrophobicContact CB-CG 4.24Å; E783-R800 WeakPolarHBondContact OE2-CD 3.3Å; E783-R800 IonicContact OE2-CZ 2.66Å; E783-R800 IonicContact OE2-NE 3.74Å; E783-R800 IonicContact OE2-NH1 2.86Å; E783-R800 PolarHBondContact OE2-NH1 2.69Å; S794-R800 CarbonylContact C-O 3.47Å; S794-R800 VanDerWaalsContact CA-O 3.29Å; S794-R800 WeakPolarHBondContact CA-O 3.41Å; H795-R800 HydrophobicContact CB-CB 4.36Å; H795-R800 PolarHBondContact CD2-NE 3.31Å; H795-R800 PolarHBondContact CD2-NH2 3.23Å; H795-R800 PolarHBondContact N-O 3.09Å; H795-R800 PolarHBondContact NE2-NH2 2.84Å; H795-R800 PolarHBondContact O-N 2.93Å; H795-R800 VanDerWaalsContact O-N 3.15Å; F798-R800 HydrophobicContact CB-CB 4.12Å; F798-R800 PolarHBondContact O-N 2.82Å; R800-D802 IonicContact CZ-OD1 2.88Å; R800-D802 IonicContact NE-OD1 2.69Å; R800-D802 PolarHBondContact NE-OD1 3.45Å; R800-D802 IonicContact NH2-OD1 3.19Å
801L96.5Very high93.2Very high0 Ų039 Ų390%018%0.178CC..EExtended strand (participates in β ladder)trans-101.8115.3167.5178.866000109.6F738 F756 V757 C781 I782 E783 P792 L803 L816F738-L801 HydrophobicContact CD2-CD2 4.04Å; F738-L801 HydrophobicContact CE2-CD2 3.48Å; F738-L801 VanDerWaalsContact CE2-CD2 3.48Å; F738-L801 HydrophobicContact CZ-CD2 4.15Å; F756-L801 HydrophobicContact CD1-CD1 4.33Å; F756-L801 HydrophobicContact CE1-CD1 3.83Å; V757-L801 HydrophobicContact CG1-CB 4.25Å; V757-L801 HydrophobicContact CG2-CB 4.06Å; V757-L801 HydrophobicContact CG2-CD1 4.11Å; C781-L801 PolarHBondContact O-N 3.22Å; I782-L801 WeakPolarHBondContact CA-O 3.5Å; E783-L801 PolarHBondContact N-O 3.01Å; P792-L801 HydrophobicContact CB-CD1 4.17Å; L801-L803 PolarHBondContact O-N 3.06Å; L801-L816 HydrophobicContact CD1-CD2 4.49Å; L801-L816 HydrophobicContact CD2-CD2 4.37Å
802D96.2Very high93.5Very high3 Ų336.3 Ų36.32%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-77.4103.9167.6-69.96.5000107.7I785 P792 R793 H795 R800 P804I785-D802 HydrophobicContact CB-CB 4.06Å; I785-D802 HydrophobicContact CD1-CB 4.41Å; I785-D802 WeakPolarHBondContact CD1-OD1 3.42Å; I785-D802 WeakPolarHBondContact CD1-OD2 3.35Å; I785-D802 HydrophobicContact CG1-CB 4.42Å; P792-D802 WeakPolarHBondContact CA-O 3.48Å; R793-D802 HydrophobicContact CB-CB 4.13Å; R793-D802 PolarHBondContact N-O 3.45Å; R793-D802 VanDerWaalsContact N-O 3.15Å; R793-D802 IonicContact NE-OD2 3.36Å; R793-D802 IonicContact NH2-OD2 3.57Å; R793-D802 WeakPolarHBondContact O-CB 3.37Å; R793-D802 PolarHBondContact O-N 3.02Å; H795-D802 IonicContact CD2-OD1 2.73Å; H795-D802 PolarHBondContact CD2-OD1 3.46Å; H795-D802 IonicContact CD2-OD2 2.82Å; H795-D802 IonicContact NE2-OD1 3.2Å; H795-D802 IonicContact NE2-OD2 2.67Å; H795-D802 PolarHBondContact NE2-OD2 3.36Å; R800-D802 IonicContact CZ-OD1 2.88Å; R800-D802 IonicContact NE-OD1 2.69Å; R800-D802 PolarHBondContact NE-OD1 3.45Å; R800-D802 IonicContact NH2-OD1 3.19Å; D802-P804 WeakPolarHBondContact O-CD 3.34Å
803L97.3Very high93.6Very high0 Ų037.1 Ų37.10%017%0.17CC..EExtended strand (participates in β ladder)trans-105.4113.2-177.2-173.465.8000109.8Y728 Q734 F738 I782 E783 L801 Y806 L812 L816Y728-L803 HydrophobicContact CE2-CB 4.3Å; Y728-L803 WeakPolarHBondContact CE2-O 3.33Å; Y728-L803 PolarHBondContact OH-O 2.77Å; Q734-L803 HydrophobicContact CB-CD2 4.11Å; F738-L803 HydrophobicContact CB-CD2 4.36Å; I782-L803 HydrophobicContact CG2-CB 3.74Å; I782-L803 HydrophobicContact CG2-CD2 3.87Å; I782-L803 HydrophobicContact CG2-CG 4.48Å; E783-L803 PolarHBondContact O-N 3.02Å; L801-L803 PolarHBondContact O-N 3.06Å; L803-Y806 HydrophobicContact CD1-CD2 4.33Å; L803-Y806 HydrophobicContact CD1-CE2 3.93Å; L803-L812 HydrophobicContact CD1-CD1 4.26Å; L803-L812 HydrophobicContact CD2-CD1 4.28Å; L803-L816 HydrophobicContact CD1-CD1 4.46Å
804P97.1Very high93.7Very high2 Ų239 Ų391%0.01318%0.183CC..  trans-65.7156.5176.1-2434.5000113.5I785 K787 W790 D802 Y806I785-P804 WeakPolarHBondContact O-CA 3.48Å; K787-P804 VanDerWaalsContact O-CB 3.31Å; K787-P804 WeakPolarHBondContact O-CB 3.41Å; W790-P804 HydrophobicContact CB-CG 4.11Å; D802-P804 WeakPolarHBondContact O-CD 3.34Å; P804-Y806 HydrophobicContact CB-CD1 4.41Å; P804-Y806 HydrophobicContact CB-CE1 3.94Å; P804-Y806 HydrophobicContact CB-CE2 4.32Å; P804-Y806 HydrophobicContact CG-CE1 4.26Å; P804-Y806 HydrophobicContact CG-CE2 4.39Å; P804-Y806 WeakPolarHBondContact O-CD2 3.22Å; P804-Y806 PolarHBondContact O-N 3.14Å
805P96.4Very high93.9Very high26 Ų2640.5 Ų40.517%0.16919%0.187CC..  trans-77.564.5179.634.7-38.5000112.4Y728 Y784 G786Y728-P805 WeakPolarHBondContact OH-CA 3.27Å; Y784-P805 HydrophobicContact CD2-CB 4.15Å; Y784-P805 HydrophobicContact CE2-CB 3.46Å; Y784-P805 VanDerWaalsContact CE2-CB 3.46Å; Y784-P805 HydrophobicContact CE2-CG 3.8Å; G786-P805 WeakPolarHBondContact O-CD 3.45Å
806Y97.7Very high94.3Very high1 Ų139.2 Ų39.20%0.00418%0.181CC..  trans-54.6151.9176.1-59.6-55.5000111.9Q734 W737 D788 W790 P792 L803 P804 Q811 L812 K815Q734-Y806 PolarHBondContact NE2-O 3.44Å; W737-Y806 WeakPolarHBondContact CZ3-O 3.23Å; D788-Y806 WeakPolarHBondContact O-CD1 3.34Å; D788-Y806 WeakPolarHBondContact O-CE1 3.35Å; W790-Y806 WeakPolarHBondContact O-CE1 3.45Å; W790-Y806 PolarHBondContact O-OH 2.78Å; P792-Y806 WeakPolarHBondContact CD-OH 3.27Å; L803-Y806 HydrophobicContact CD1-CD2 4.33Å; L803-Y806 HydrophobicContact CD1-CE2 3.93Å; P804-Y806 HydrophobicContact CB-CD1 4.41Å; P804-Y806 HydrophobicContact CB-CE1 3.94Å; P804-Y806 HydrophobicContact CB-CE2 4.32Å; P804-Y806 HydrophobicContact CG-CE1 4.26Å; P804-Y806 HydrophobicContact CG-CE2 4.39Å; P804-Y806 WeakPolarHBondContact O-CD2 3.22Å; P804-Y806 PolarHBondContact O-N 3.14Å; Y806-Q811 HydrophobicContact CD1-CG 3.76Å; Y806-Q811 HydrophobicContact CE1-CG 4.48Å; Y806-Q811 HydrophobicContact CG-CG 4.23Å; Y806-L812 HydrophobicContact CD2-CB 3.67Å; Y806-L812 HydrophobicContact CD2-CD1 4.1Å; Y806-L812 HydrophobicContact CD2-CG 3.93Å; Y806-L812 HydrophobicContact CE2-CB 4.43Å; Y806-L812 HydrophobicContact CE2-CG 4.44Å; Y806-L812 HydrophobicContact CG-CB 4.22Å; Y806-K815 HydrophobicContact CD1-CG 4.49Å; Y806-K815 HydrophobicContact CE1-CB 4.02Å; Y806-K815 HydrophobicContact CE1-CD 4.39Å; Y806-K815 HydrophobicContact CE1-CG 3.75Å; Y806-K815 HydrophobicContact CE2-CB 4.21Å; Y806-K815 WeakPolarHBondContact OH-CB 3.4Å
807R96.3Very high94.6Very high196 Ų19639.3 Ų39.374%0.7418%0.183SC*.SBendtrans-90.9-18.6-175-59.3-171.2-170.3176.710.3113.6W737 D788W737-R807 WeakPolarHBondContact CH2-O 3.47Å; D788-R807 IonicContact OD2-CZ 3.05Å; D788-R807 IonicContact OD2-NE 2.64Å; D788-R807 PolarHBondContact OD2-NE 2.85Å; D788-R807 IonicContact OD2-NH2 2.76Å; D788-R807 PolarHBondContact OD2-NH2 3.03Å
808S97.3Very high95.1Very high38 Ų3845 Ų4527%0.26620%0.204SC..SBendtrans-145.7164.8178.981.10000112.6E810 Q811 L812S808-E810 VanDerWaalsContact C-N 3.31Å; S808-E810 VanDerWaalsContact CB-OE2 3.27Å; S808-E810 WeakPolarHBondContact CB-OE2 3.32Å; S808-E810 PolarHBondContact OG-N 3.41Å; S808-E810 PolarHBondContact OG-OE2 3.42Å; S808-E810 VanDerWaalsContact OG-OE2 3.07Å; S808-Q811 PolarHBondContact OG-N 2.88Å; S808-L812 PolarHBondContact O-N 3.23Å
809Y97.8Very high95.2Very high43 Ų4342.2 Ų42.217%0.16919%0.194CC..Hα-helixtrans-62.7-40.1174.2171-101000111.6W737 K740 F741 L812 A813W737-Y809 HydrophobicContact CB-CD2 3.91Å; W737-Y809 HydrophobicContact CG-CD2 4.16Å; K740-Y809 HydrophobicContact CB-CE2 3.99Å; K740-Y809 HydrophobicContact CD-CD2 3.89Å; K740-Y809 HydrophobicContact CD-CE2 3.68Å; K740-Y809 HydrophobicContact CG-CD2 4.39Å; K740-Y809 HydrophobicContact CG-CE2 3.74Å; F741-Y809 HydrophobicContact CB-CE2 4.12Å; Y809-L812 PolarHBondContact O-N 2.98Å; Y809-A813 HydrophobicContact CE1-CB 4.5Å; Y809-A813 WeakPolarHBondContact O-CB 3.47Å; Y809-A813 PolarHBondContact O-N 3.41Å
810E97.4Very high95.1Very high123 Ų12342 Ų4258%0.57519%0.193SC*.Hα-helixtrans-63.8-45.5-177.8-61.367.6-144.300110.5S808 L812 A813 E814S808-E810 VanDerWaalsContact C-N 3.31Å; S808-E810 VanDerWaalsContact CB-OE2 3.27Å; S808-E810 WeakPolarHBondContact CB-OE2 3.32Å; S808-E810 PolarHBondContact OG-N 3.41Å; S808-E810 PolarHBondContact OG-OE2 3.42Å; S808-E810 VanDerWaalsContact OG-OE2 3.07Å; E810-L812 PolarHBondContact O-N 2.9Å; E810-A813 PolarHBondContact O-N 3.01Å; E810-E814 WeakPolarHBondContact O-CB 3.41Å; E810-E814 PolarHBondContact O-N 2.83Å
811Q97.1Very high94.4Very high44 Ų4443 Ų4321%0.20620%0.201CC..Hα-helixtrans-61.1-44.5176.3-173.7-176.529.400111.4D788 Y806 S808 K815D788-Q811 PolarHBondContact O-NE2 3.3Å; Y806-Q811 HydrophobicContact CD1-CG 3.76Å; Y806-Q811 HydrophobicContact CE1-CG 4.48Å; Y806-Q811 HydrophobicContact CG-CG 4.23Å; S808-Q811 PolarHBondContact OG-N 2.88Å; Q811-K815 HydrophobicContact CG-CG 4.41Å; Q811-K815 WeakPolarHBondContact O-CB 3.21Å; Q811-K815 WeakPolarHBondContact O-CG 3.47Å; Q811-K815 PolarHBondContact O-N 3.04Å
812L97.5Very high93.2Very high0 Ų047.5 Ų47.50%022%0.223CC..Hα-helixtrans-62.5-44.9177.3177.9150.2000111.6Q734 W737 F741 L803 Y806 S808 Y809 E810 L816Q734-L812 HydrophobicContact CB-CD1 4.39Å; Q734-L812 WeakPolarHBondContact O-CD1 3.26Å; W737-L812 HydrophobicContact CB-CD1 3.91Å; W737-L812 HydrophobicContact CB-CD2 4.34Å; W737-L812 HydrophobicContact CE3-CD1 4.48Å; F741-L812 HydrophobicContact CB-CD2 4.14Å; F741-L812 HydrophobicContact CG-CD2 4.49Å; L803-L812 HydrophobicContact CD1-CD1 4.26Å; L803-L812 HydrophobicContact CD2-CD1 4.28Å; Y806-L812 HydrophobicContact CD2-CB 3.67Å; Y806-L812 HydrophobicContact CD2-CD1 4.1Å; Y806-L812 HydrophobicContact CD2-CG 3.93Å; Y806-L812 HydrophobicContact CE2-CB 4.43Å; Y806-L812 HydrophobicContact CE2-CG 4.44Å; Y806-L812 HydrophobicContact CG-CB 4.22Å; S808-L812 PolarHBondContact O-N 3.23Å; Y809-L812 PolarHBondContact O-N 2.98Å; E810-L812 PolarHBondContact O-N 2.9Å; L812-L816 HydrophobicContact CD2-CD1 3.5Å; L812-L816 VanDerWaalsContact CD2-CD1 3.5Å; L812-L816 HydrophobicContact CG-CD1 3.89Å; L812-L816 WeakPolarHBondContact O-CB 3.37Å; L812-L816 WeakPolarHBondContact O-CG 3.31Å; L812-L816 PolarHBondContact O-N 3.29Å
813A96.5Very high91.3Very high16 Ų1648.8 Ų48.813%0.13223%0.231CC..Hα-helixtrans-66.4-40.3-178.400000112.2F741 Y809 E810 S817F741-A813 HydrophobicContact CD2-CB 3.76Å; F741-A813 HydrophobicContact CE2-CB 4.05Å; Y809-A813 HydrophobicContact CE1-CB 4.5Å; Y809-A813 WeakPolarHBondContact O-CB 3.47Å; Y809-A813 PolarHBondContact O-N 3.41Å; E810-A813 PolarHBondContact O-N 3.01Å; A813-S817 VanDerWaalsContact O-CB 3.23Å; A813-S817 WeakPolarHBondContact O-CB 3.44Å; A813-S817 PolarHBondContact O-N 3.07Å; A813-S817 PolarHBondContact O-OG 2.99Å
814E94Very high88.8Confident136 Ų13654.1 Ų54.164%0.63626%0.256SS*.Hα-helixtrans-63-53.5174.5-176.1-171168.900110.9E810 L816 S817 Y818E810-E814 WeakPolarHBondContact O-CB 3.41Å; E810-E814 PolarHBondContact O-N 2.83Å; E814-L816 PolarHBondContact O-N 2.83Å; E814-S817 WeakPolarHBondContact O-CB 3.35Å; E814-S817 PolarHBondContact O-N 3.29Å; E814-Y818 WeakPolarHBondContact O-CB 3.47Å; E814-Y818 PolarHBondContact O-N 3.4Å
815K94.9Very high85.8Confident53 Ų5356.9 Ų56.923%0.2328%0.284CS..Hα-helixtrans-65.7-38.6-176.3-68.3-80.4178.9176.10112.9S789 L791 Y806 Q811 A819S789-K815 PolarHBondContact O-NZ 3.26Å; L791-K815 HydrophobicContact CD2-CB 4.36Å; L791-K815 HydrophobicContact CD2-CD 3.55Å; L791-K815 HydrophobicContact CG-CD 4.43Å; Y806-K815 HydrophobicContact CD1-CG 4.49Å; Y806-K815 HydrophobicContact CE1-CB 4.02Å; Y806-K815 HydrophobicContact CE1-CD 4.39Å; Y806-K815 HydrophobicContact CE1-CG 3.75Å; Y806-K815 HydrophobicContact CE2-CB 4.21Å; Y806-K815 WeakPolarHBondContact OH-CB 3.4Å; Q811-K815 HydrophobicContact CG-CG 4.41Å; Q811-K815 WeakPolarHBondContact O-CB 3.21Å; Q811-K815 WeakPolarHBondContact O-CG 3.47Å; Q811-K815 PolarHBondContact O-N 3.04Å; K815-A819 WeakPolarHBondContact O-CB 3.3Å; K815-A819 PolarHBondContact O-N 2.94Å; K815-A819 VanDerWaalsContact O-N 3.08Å
816L94.5Very high83Confident0 Ų061.5 Ų61.50%030%0.302CS..Hα-helixtrans-69.3-41.2173.1-79.3169.4000112F738 F741 P792 L801 L803 L812 E814 Y818 A819 I820F738-L816 HydrophobicContact CD2-CD1 3.89Å; F738-L816 HydrophobicContact CE2-CD1 4.39Å; F741-L816 HydrophobicContact CD1-CB 4.33Å; F741-L816 HydrophobicContact CD1-CD1 3.78Å; F741-L816 HydrophobicContact CE1-CB 3.67Å; F741-L816 HydrophobicContact CE1-CD1 3.93Å; F741-L816 HydrophobicContact CE1-CG 4.42Å; F741-L816 HydrophobicContact CZ-CB 3.92Å; P792-L816 HydrophobicContact CB-CD2 4Å; P792-L816 HydrophobicContact CG-CD2 3.72Å; P792-L816 HydrophobicContact CG-CG 4.26Å; L801-L816 HydrophobicContact CD1-CD2 4.49Å; L801-L816 HydrophobicContact CD2-CD2 4.37Å; L803-L816 HydrophobicContact CD1-CD1 4.46Å; L812-L816 HydrophobicContact CD2-CD1 3.5Å; L812-L816 VanDerWaalsContact CD2-CD1 3.5Å; L812-L816 HydrophobicContact CG-CD1 3.89Å; L812-L816 WeakPolarHBondContact O-CB 3.37Å; L812-L816 WeakPolarHBondContact O-CG 3.31Å; L812-L816 PolarHBondContact O-N 3.29Å; E814-L816 PolarHBondContact O-N 2.83Å; L816-Y818 VanDerWaalsContact C-N 3.31Å; L816-Y818 PolarHBondContact O-N 2.69Å; L816-A819 PolarHBondContact O-N 2.87Å; L816-I820 WeakPolarHBondContact O-CB 3.37Å; L816-I820 VanDerWaalsContact O-CD1 3.26Å; L816-I820 WeakPolarHBondContact O-CD1 3.46Å; L816-I820 WeakPolarHBondContact O-CG1 3.47Å; L816-I820 PolarHBondContact O-N 3.08Å
817S92.3Very high79.7Confident25 Ų2564.9 Ų64.918%0.17534%0.336CS..Hα-helixtrans-57.6-48.3175.6-66.60000110.6R749 A813 E814 A819 I820 D821R749-S817 PolarHBondContact NH2-OG 3.47Å; A813-S817 VanDerWaalsContact O-CB 3.23Å; A813-S817 WeakPolarHBondContact O-CB 3.44Å; A813-S817 PolarHBondContact O-N 3.07Å; A813-S817 PolarHBondContact O-OG 2.99Å; E814-S817 WeakPolarHBondContact O-CB 3.35Å; E814-S817 PolarHBondContact O-N 3.29Å; S817-A819 PolarHBondContact O-N 2.83Å; S817-I820 PolarHBondContact O-N 2.88Å; S817-D821 WeakPolarHBondContact O-CB 3.44Å; S817-D821 PolarHBondContact O-N 3.21Å; S817-D821 VanDerWaalsContact O-OD2 3.13Å
818Y90.1Very high76.5Confident122 Ų12264.5 Ų64.548%0.47834%0.343SS..Hα-helixtrans-57.2-49.2177.1-170.1-97.6000112.2L791 E814 L816 I820 D821 E822L791-Y818 HydrophobicContact CD1-CD1 3.83Å; L791-Y818 HydrophobicContact CD1-CE1 3.79Å; L791-Y818 HydrophobicContact CD2-CD1 3.65Å; L791-Y818 HydrophobicContact CD2-CE1 4.4Å; L791-Y818 HydrophobicContact CD2-CG 4.44Å; L791-Y818 HydrophobicContact CG-CD1 4.43Å; E814-Y818 WeakPolarHBondContact O-CB 3.47Å; E814-Y818 PolarHBondContact O-N 3.4Å; L816-Y818 VanDerWaalsContact C-N 3.31Å; L816-Y818 PolarHBondContact O-N 2.69Å; Y818-I820 VanDerWaalsContact C-N 3.29Å; Y818-I820 PolarHBondContact O-N 2.76Å; Y818-D821 PolarHBondContact O-N 2.64Å; Y818-E822 HydrophobicContact CD1-CG 4.05Å; Y818-E822 HydrophobicContact CD2-CG 4.17Å; Y818-E822 HydrophobicContact CE1-CG 3.68Å; Y818-E822 HydrophobicContact CE2-CG 3.77Å; Y818-E822 HydrophobicContact CG-CG 4.29Å; Y818-E822 WeakPolarHBondContact O-CB 3.32Å; Y818-E822 WeakPolarHBondContact O-CG 3.3Å; Y818-E822 PolarHBondContact O-N 3.14Å
819A88Confident73.4Confident8 Ų874.9 Ų74.97%0.06639%0.387CS..Hα-helixtrans-66-27.6179.900000114.5F756 P792 K815 L816 S817F756-A819 WeakPolarHBondContact CD2-O 3.49Å; F756-A819 HydrophobicContact CE2-CB 4.32Å; F756-A819 WeakPolarHBondContact CE2-O 3.43Å; F756-A819 HydrophobicContact CZ-CB 4.02Å; P792-A819 HydrophobicContact CG-CB 3.63Å; K815-A819 WeakPolarHBondContact O-CB 3.3Å; K815-A819 PolarHBondContact O-N 2.94Å; K815-A819 VanDerWaalsContact O-N 3.08Å; L816-A819 PolarHBondContact O-N 2.87Å; S817-A819 PolarHBondContact O-N 2.83Å
820I88Confident72.2Confident0 Ų076.5 Ų76.50%040%0.398CS..Hα-helixtrans-77.6-38.2177.1-66.1161.3000110.9R702 F741 R752 L753 L816 S817 Y818R702-I820 PolarHBondContact NH1-O 2.81Å; F741-I820 HydrophobicContact CE1-CD1 4.09Å; F741-I820 HydrophobicContact CZ-CD1 4.26Å; R752-I820 HydrophobicContact CB-CG2 3.3Å; R752-I820 HydrophobicContact CG-CG2 4.4Å; L753-I820 HydrophobicContact CB-CD1 3.85Å; L753-I820 HydrophobicContact CB-CG1 4.22Å; L753-I820 HydrophobicContact CD1-CD1 3.96Å; L753-I820 HydrophobicContact CD1-CG1 4.1Å; L753-I820 HydrophobicContact CG-CD1 4.35Å; L816-I820 WeakPolarHBondContact O-CB 3.37Å; L816-I820 VanDerWaalsContact O-CD1 3.26Å; L816-I820 WeakPolarHBondContact O-CD1 3.46Å; L816-I820 WeakPolarHBondContact O-CG1 3.47Å; L816-I820 PolarHBondContact O-N 3.08Å; S817-I820 PolarHBondContact O-N 2.88Å; Y818-I820 VanDerWaalsContact C-N 3.29Å; Y818-I820 PolarHBondContact O-N 2.76Å
821D80.3Confident70.8Confident66 Ų6674 Ų7435%0.35339%0.389SS..Hα-helixtrans-83-34.2-175.6-67.5-36.9000112.4R749 R752 S817 Y818 T823R749-D821 IonicContact NH2-OD2 3.35Å; R752-D821 IonicContact NH1-OD1 3.79Å; R752-D821 PolarHBondContact NH1-OD1 3.18Å; S817-D821 WeakPolarHBondContact O-CB 3.44Å; S817-D821 PolarHBondContact O-N 3.21Å; S817-D821 VanDerWaalsContact O-OD2 3.13Å; Y818-D821 PolarHBondContact O-N 2.64Å; D821-T823 PolarHBondContact O-N 2.79Å
822E71.5Confident69.4Low96 Ų9675.7 Ų75.745%0.44940%0.399SS..  trans-75.3107.7171.8-67.1-63.6158.400110.4Y818Y818-E822 HydrophobicContact CD1-CG 4.05Å; Y818-E822 HydrophobicContact CD2-CG 4.17Å; Y818-E822 HydrophobicContact CE1-CG 3.68Å; Y818-E822 HydrophobicContact CE2-CG 3.77Å; Y818-E822 HydrophobicContact CG-CG 4.29Å; Y818-E822 WeakPolarHBondContact O-CB 3.32Å; Y818-E822 WeakPolarHBondContact O-CG 3.3Å; Y818-E822 PolarHBondContact O-N 3.14Å
823T55.1Low67.7Low30 Ų3080.1 Ų80.118%0.18442%0.423CS..  trans-100.6-17.7-173.7410000113.1D821D821-T823 PolarHBondContact O-N 2.79Å
824E45.4Very low65.9Low112 Ų11284.1 Ų84.152%0.52344%0.441SS..SBendtrans-125.9106.4-173.6-69.3-175.1-172.900112.2K596K596-E824 WeakPolarHBondContact CD-OE1 3.44Å; K596-E824 WeakPolarHBondContact CE-OE1 3.39Å; K596-E824 IonicContact NZ-OE1 3.38Å; K596-E824 PolarHBondContact NZ-OE1 3.07Å
825G34.6Very low64.1Low59 Ų5980.7 Ų80.761%0.60843%0.428SS*.  trans76.2117.2169.600000112.9G827G825-G827 PolarHBondContact O-N 3.03Å
826F37.7Very low61.9Low124 Ų12482.6 Ų82.654%0.54444%0.442SS..  trans-57.8111.2158.4-68.4-85.6000106.7R793 Q828R793-F826 HydrophobicContact CG-CE1 3.91Å; R793-F826 HydrophobicContact CG-CZ 4.3Å; F826-Q828 PolarHBondContact O-N 2.93Å
827G27.7Very low59.3Low71 Ų7189 Ų8973%0.73248%0.476SS*.  trans-48.1119.5162.300000107.1G825G825-G827 PolarHBondContact O-N 3.03Å
828Q30Very low56.6Low188 Ų18894.3 Ų94.388%0.87950%0.501SS*.  trans-54.1142.7174-81.4173.8-27.800109.2F826F826-Q828 PolarHBondContact O-N 2.93Å
829E31Very low53.6Low256 Ų25691.8 Ų91.8100%1.19650%0.503SS*.  trans-21.90-174.5-62.2-176.2148.800119.2

Retrieved 829 of 829 residues in 242.3 ms (Link to these results)

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