A0A060XUA5_ONCMY Loading...

DnaJ (Hsp40) homolog, subfamily C, member 24

AlphaFold DB , UniProt , Accession A0A060XUA5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dnajc24, Length 149 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low54Low244 Ų244135 Ų135100%1.20266%0.663SS**  070.40-66168.5169.700107.7S3M1-S3 PolarHBondContact O-N 2.69Å
2T37.6Very low56.6Low137 Ų137124.1 Ų124.184%0.8461%0.609SS**  trans-85.997.417841.40000107E4T2-E4 PolarHBondContact O-N 3.07Å; T2-E4 VanDerWaalsContact O-N 3.11Å
3S44.3Very low58.9Low75 Ų75120.8 Ų120.852%0.52461%0.606SS.*  trans-55.2110.5179.7-169.40000109.5M1 R5M1-S3 PolarHBondContact O-N 2.69Å; S3-R5 PolarHBondContact O-N 2.94Å; S3-R5 PolarHBondContact OG-NE 3.09Å; S3-R5 VanDerWaalsContact OG-NE 3.11Å
4E54.5Low60.8Low197 Ų197114.8 Ų114.892%0.92158%0.576SS**  trans-64100.3166.9-62.4179.389.400107.8T2T2-E4 PolarHBondContact O-N 3.07Å; T2-E4 VanDerWaalsContact O-N 3.11Å
5R52.4Low62.5Low164 Ų164107.1 Ų107.162%0.61954%0.538SS*.  trans-119.586.9176.9-96.8-175.7-105.2-166.1-4.7110.7S3 E85S3-R5 PolarHBondContact O-N 2.94Å; S3-R5 PolarHBondContact OG-NE 3.09Å; S3-R5 VanDerWaalsContact OG-NE 3.11Å; R5-E85 VanDerWaalsContact CD-OE1 3.22Å; R5-E85 WeakPolarHBondContact CD-OE1 3.48Å; R5-E85 IonicContact CZ-OE1 3.75Å; R5-E85 IonicContact NE-OE1 2.62Å; R5-E85 IonicContact NH1-OE1 2.69Å; R5-E85 PolarHBondContact NH1-OE1 2.95Å; R5-E85 IonicContact NH1-OE2 3.57Å; R5-E85 PolarHBondContact NH1-OE2 2.92Å
6R44.9Very low63.8Low205 Ų205107.6 Ų107.677%0.77454%0.538SS*.  trans1798.5139.2-124.3169.4163.3-158.4-1.9117.8Q8R6-Q8 VanDerWaalsContact C-N 3.33Å; R6-Q8 PolarHBondContact O-N 3.45Å
7S45.7Very low65Low126 Ų126102.1 Ų102.188%0.88151%0.512SS*.SBendtrans41.49.7140.8-47.50000123.9
8Q53Low65.9Low107 Ų10799.8 Ų99.850%0.551%0.507SS..SBendtrans-85.8131.9160.2-99.3172.9-29.300108.7R6 D10R6-Q8 VanDerWaalsContact C-N 3.33Å; R6-Q8 PolarHBondContact O-N 3.45Å; Q8-D10 PolarHBondContact O-N 3.11Å
9K62Low66.5Low134 Ų13498.6 Ų98.658%0.58351%0.507SS*.  trans-50.8103.6179.1-71.6-175-179.8-164.40109.6W11 E60 Y77K9-W11 PolarHBondContact O-N 2.96Å; K9-E60 IonicContact NZ-OE1 3.12Å; K9-Y77 PolarHBondContact O-OH 3.38Å
10D79.9Confident67.1Low56 Ų5699.5 Ų99.530%0.29952%0.522SS..  trans-86.2103.7-175.3-168-83.5000107.1Q8 Y12 S13 I14Q8-D10 PolarHBondContact O-N 3.11Å; D10-Y12 PolarHBondContact O-N 3Å; D10-Y12 VanDerWaalsContact O-N 3.17Å; D10-Y12 WeakPolarHBondContact OD1-CB 2.98Å; D10-Y12 PolarHBondContact OD1-N 3.36Å; D10-S13 WeakPolarHBondContact CB-OG 3.45Å; D10-S13 WeakPolarHBondContact O-CB 3.32Å; D10-S13 PolarHBondContact O-N 3.11Å; D10-S13 PolarHBondContact OD1-N 2.94Å; D10-S13 PolarHBondContact OD1-OG 2.74Å; D10-I14 PolarHBondContact O-N 3.07Å
11W84.9Confident67.9Low40 Ų4096.6 Ų96.615%0.15251%0.507CS..Hα-helixtrans-59.7-28.4-176.2-62.3128.3000111.5K9 I14 L15 Q63 A64 L68 Y77K9-W11 PolarHBondContact O-N 2.96Å; W11-I14 HydrophobicContact CE3-CD1 3.51Å; W11-I14 HydrophobicContact CZ3-CD1 3.79Å; W11-I14 PolarHBondContact O-N 3.28Å; W11-L15 PolarHBondContact O-N 3.36Å; W11-Q63 HydrophobicContact CH2-CB 3.77Å; W11-Q63 HydrophobicContact CZ3-CB 3.67Å; W11-A64 HydrophobicContact CB-CB 4.03Å; W11-A64 HydrophobicContact CD2-CB 4.29Å; W11-A64 VanDerWaalsContact CE3-CA 3.49Å; W11-A64 HydrophobicContact CE3-CB 3.63Å; W11-A64 HydrophobicContact CG-CB 4.48Å; W11-A64 HydrophobicContact CZ3-CB 4.45Å; W11-L68 HydrophobicContact CB-CD1 4.18Å; W11-L68 HydrophobicContact CB-CD2 4.36Å; W11-L68 HydrophobicContact CB-CG 4.15Å; W11-Y77 HydrophobicContact CB-CE1 4.33Å; W11-Y77 AromaticContact CD1-CD2 3.52Å; W11-Y77 AromaticContact CD1-CE1 3.66Å; W11-Y77 AromaticContact CD1-CE2 3.11Å; W11-Y77 AromaticContact CD1-CG 3.95Å; W11-Y77 AromaticContact CD1-CZ 3.16Å; W11-Y77 HydrophobicContact CG-CE1 4.36Å; W11-Y77 HydrophobicContact CG-CE2 4.23Å; W11-Y77 AromaticContact CG-CZ 3.96Å; W11-Y77 PolarHBondContact N-OH 3.26Å; W11-Y77 AromaticContact NE1-CD2 3.7Å; W11-Y77 AromaticContact NE1-CE2 3.32Å; W11-Y77 VanDerWaalsContact NE1-CE2 3.32Å; W11-Y77 AromaticContact NE1-CZ 3.84Å
12Y85Confident70.2Confident4 Ų491.8 Ų91.82%0.01648%0.483CS..Hα-helixtrans-66.5-45174.6-59.7-74000111.1D10 I14 L15 E16 S17 P19 L68 K74 Y77 D78D10-Y12 PolarHBondContact O-N 3Å; D10-Y12 VanDerWaalsContact O-N 3.17Å; D10-Y12 WeakPolarHBondContact OD1-CB 2.98Å; D10-Y12 PolarHBondContact OD1-N 3.36Å; Y12-I14 VanDerWaalsContact C-N 3.34Å; Y12-I14 PolarHBondContact O-N 3.24Å; Y12-L15 CarbonylContact O-C 3.52Å; Y12-L15 PolarHBondContact O-N 3.37Å; Y12-E16 PolarHBondContact O-N 3.45Å; Y12-E16 VanDerWaalsContact O-N 3.13Å; Y12-S17 CarbonylContact C-O 3.43Å; Y12-S17 WeakPolarHBondContact CA-OG 3.27Å; Y12-S17 WeakPolarHBondContact CB-O 3.36Å; Y12-S17 PolarHBondContact O-N 2.89Å; Y12-S17 PolarHBondContact O-OG 3.1Å; Y12-P19 HydrophobicContact CD1-CB 4.35Å; Y12-P19 HydrophobicContact CD2-CB 4.23Å; Y12-P19 VanDerWaalsContact CE1-CA 3.46Å; Y12-P19 HydrophobicContact CE1-CB 4.09Å; Y12-P19 HydrophobicContact CE2-CB 3.93Å; Y12-P19 HydrophobicContact CG-CB 4.42Å; Y12-L68 HydrophobicContact CD1-CD1 3.46Å; Y12-L68 VanDerWaalsContact CD1-CD1 3.46Å; Y12-L68 HydrophobicContact CD1-CD2 4.2Å; Y12-L68 HydrophobicContact CE1-CD1 3.6Å; Y12-L68 HydrophobicContact CE1-CD2 3.56Å; Y12-L68 HydrophobicContact CE1-CG 4.22Å; Y12-L68 HydrophobicContact CE2-CD2 4.24Å; Y12-L68 HydrophobicContact CG-CD1 4.13Å; Y12-K74 WeakPolarHBondContact OH-CE 3.46Å; Y12-Y77 HydrophobicContact CD2-CE1 4.22Å; Y12-Y77 HydrophobicContact CE2-CD1 4.13Å; Y12-Y77 AromaticContact CE2-CE1 3.83Å; Y12-Y77 HydrophobicContact CE2-CE1 3.83Å; Y12-D78 PolarHBondContact OH-OD1 2.64Å; Y12-D78 PolarHBondContact OH-OD2 2.92Å
13S85.7Confident72.4Confident82 Ų8289.7 Ų89.757%0.57347%0.466SS*.Hα-helixtrans-61.4-38.5175.3-58.50000113D10 L15 E16D10-S13 WeakPolarHBondContact CB-OG 3.45Å; D10-S13 WeakPolarHBondContact O-CB 3.32Å; D10-S13 PolarHBondContact O-N 3.11Å; D10-S13 PolarHBondContact OD1-N 2.94Å; D10-S13 PolarHBondContact OD1-OG 2.74Å; S13-L15 VanDerWaalsContact C-N 3.32Å; S13-L15 PolarHBondContact O-N 3.29Å; S13-E16 PolarHBondContact O-N 2.69Å; S13-E16 VanDerWaalsContact O-N 3.14Å
14I86.5Confident74.4Confident36 Ų3692.5 Ų92.519%0.18547%0.471CS..Hα-helixtrans-64.3-37.8176.7-68.7164.5000111.6D10 W11 Y12 E16 E60 V61 A64D10-I14 PolarHBondContact O-N 3.07Å; W11-I14 HydrophobicContact CE3-CD1 3.51Å; W11-I14 HydrophobicContact CZ3-CD1 3.79Å; W11-I14 PolarHBondContact O-N 3.28Å; Y12-I14 VanDerWaalsContact C-N 3.34Å; Y12-I14 PolarHBondContact O-N 3.24Å; I14-E16 VanDerWaalsContact C-N 3.26Å; I14-E16 PolarHBondContact O-N 2.91Å; I14-E60 HydrophobicContact CD1-CB 4.43Å; I14-E60 HydrophobicContact CG2-CB 3.97Å; I14-V61 HydrophobicContact CG2-CG2 4.08Å; I14-A64 HydrophobicContact CB-CB 4.17Å; I14-A64 HydrophobicContact CG2-CB 3.9Å
15L85.6Confident76Confident0 Ų085.5 Ų85.50%044%0.44CS..THydrogen-bonded Turntrans-85.97.1176.4-77.8166000113.6W11 Y12 S13 S17 L26 K29 Y30 L33 V61 A64 W65 L68W11-L15 PolarHBondContact O-N 3.36Å; Y12-L15 CarbonylContact O-C 3.52Å; Y12-L15 PolarHBondContact O-N 3.37Å; S13-L15 VanDerWaalsContact C-N 3.32Å; S13-L15 PolarHBondContact O-N 3.29Å; L15-S17 PolarHBondContact O-N 3.24Å; L15-L26 HydrophobicContact CD1-CD2 4.49Å; L15-K29 WeakPolarHBondContact O-CB 3.5Å; L15-Y30 HydrophobicContact CD2-CD2 4.32Å; L15-L33 HydrophobicContact CD2-CD1 4.16Å; L15-V61 HydrophobicContact CD2-CG1 4.05Å; L15-A64 HydrophobicContact CD1-CB 3.58Å; L15-A64 HydrophobicContact CG-CB 3.67Å; L15-W65 HydrophobicContact CD1-CB 4.48Å; L15-L68 HydrophobicContact CD1-CB 4.4Å; L15-L68 HydrophobicContact CD1-CD1 3.71Å; L15-L68 HydrophobicContact CD1-CG 4.36Å
16E84.1Confident77.7Confident115 Ų11577.7 Ų77.754%0.53741%0.411SS..THydrogen-bonded Turntrans49.342.9-173.8-57.3-173.7101.400111.9Y12 S13 I14 K29 R32Y12-E16 PolarHBondContact O-N 3.45Å; Y12-E16 VanDerWaalsContact O-N 3.13Å; S13-E16 PolarHBondContact O-N 2.69Å; S13-E16 VanDerWaalsContact O-N 3.14Å; I14-E16 VanDerWaalsContact C-N 3.26Å; I14-E16 PolarHBondContact O-N 2.91Å; E16-K29 WeakPolarHBondContact O-CD 3.18Å; E16-K29 VanDerWaalsContact O-CE 3.29Å; E16-K29 WeakPolarHBondContact O-CE 3.42Å; E16-K29 PolarHBondContact O-NZ 3.28Å; E16-R32 IonicContact OE2-CZ 3.96Å; E16-R32 IonicContact OE2-NH2 2.94Å; E16-R32 PolarHBondContact OE2-NH2 2.87Å
17S84.5Confident79.7Confident13 Ų1372.8 Ų72.89%0.09140%0.395CS..  trans-127163.7-171.6660000112.1Y12 L15 L26Y12-S17 CarbonylContact C-O 3.43Å; Y12-S17 WeakPolarHBondContact CA-OG 3.27Å; Y12-S17 WeakPolarHBondContact CB-O 3.36Å; Y12-S17 PolarHBondContact O-N 2.89Å; Y12-S17 PolarHBondContact O-OG 3.1Å; L15-S17 PolarHBondContact O-N 3.24Å; S17-L26 VanDerWaalsContact CB-CD2 3.4Å; S17-L26 WeakPolarHBondContact OG-CD2 3.29Å
18S81.1Confident81.8Confident62 Ų6272.3 Ų72.343%0.43438%0.379SS..  trans-103.2151.1174.4-62.80000110.4S20 D21S18-S20 PolarHBondContact O-N 3.25Å; S18-S20 VanDerWaalsContact O-N 3.11Å; S18-D21 WeakPolarHBondContact CB-OD2 3.47Å; S18-D21 PolarHBondContact N-OD2 2.79Å; S18-D21 WeakPolarHBondContact O-CB 3.47Å; S18-D21 PolarHBondContact O-N 2.94Å
19P77.3Confident83.6Confident77 Ų7769.2 Ų69.250%0.536%0.364SS..THydrogen-bonded Turntrans-58.1-26.5173.321.7-32.1000113.3Y12 K74Y12-P19 HydrophobicContact CD1-CB 4.35Å; Y12-P19 HydrophobicContact CD2-CB 4.23Å; Y12-P19 VanDerWaalsContact CE1-CA 3.46Å; Y12-P19 HydrophobicContact CE1-CB 4.09Å; Y12-P19 HydrophobicContact CE2-CB 3.93Å; Y12-P19 HydrophobicContact CG-CB 4.42Å; P19-K74 PolarHBondContact O-NZ 3.18Å
20S78.1Confident84.9Confident115 Ų11565 Ų6580%0.80434%0.344SS*.THydrogen-bonded Turntrans-79.1-10175.5-52.40000114.8S18S18-S20 PolarHBondContact O-N 3.25Å; S18-S20 VanDerWaalsContact O-N 3.11Å
21D82.7Confident85.3Confident39 Ų3967 Ų6721%0.20935%0.352CS..SBendtrans-67.8143.9179.9-81.5-47.6000111.3S18 D25 L26 K29S18-D21 WeakPolarHBondContact CB-OD2 3.47Å; S18-D21 PolarHBondContact N-OD2 2.79Å; S18-D21 WeakPolarHBondContact O-CB 3.47Å; S18-D21 PolarHBondContact O-N 2.94Å; D21-D25 HydrophobicContact CB-CB 4.36Å; D21-L26 HydrophobicContact CB-CG 4.4Å; D21-K29 IonicContact OD1-NZ 3.94Å; D21-K29 IonicContact OD2-NZ 2.69Å; D21-K29 PolarHBondContact OD2-NZ 3.27Å
22M83.6Confident85.6Confident144 Ų14471.5 Ų71.571%0.70937%0.369SS*.  trans-73.6154.3175.3-68.8-166.5-69.200111Q24 D25 L26M22-Q24 PolarHBondContact O-N 3.16Å; M22-Q24 VanDerWaalsContact O-N 3.09Å; M22-D25 WeakPolarHBondContact O-CB 3.12Å; M22-D25 PolarHBondContact O-N 3Å; M22-L26 PolarHBondContact O-N 3.08Å; M22-L26 VanDerWaalsContact O-N 3.07Å
23L84.9Confident85.8Confident92 Ų9271.5 Ų71.548%0.48237%0.369SS..Hα-helixtrans-55.1-31.8179-171.9144.6000113.4K27 S69L23-K27 WeakPolarHBondContact O-CB 3.41Å; L23-K27 PolarHBondContact O-N 3.46Å; L23-S69 WeakPolarHBondContact CD1-O 3.21Å
24Q85.9Confident85.8Confident134 Ų13468.3 Ų68.363%0.62635%0.348SS*.Hα-helixtrans-66.6-40.5175.6-175.1172.7-5.500112.7M22 K27 Q28M22-Q24 PolarHBondContact O-N 3.16Å; M22-Q24 VanDerWaalsContact O-N 3.09Å; Q24-K27 WeakPolarHBondContact O-CB 3.44Å; Q24-K27 PolarHBondContact O-N 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.31Å; Q24-Q28 PolarHBondContact O-N 3.31Å
25D88.1Confident85.8Confident50 Ų5071.6 Ų71.627%0.26737%0.365SS..Hα-helixtrans-69.4-44.3177.9-174.6-92.6000110.6D21 M22 K27 Q28 K29D21-D25 HydrophobicContact CB-CB 4.36Å; M22-D25 WeakPolarHBondContact O-CB 3.12Å; M22-D25 PolarHBondContact O-N 3Å; D25-K27 VanDerWaalsContact C-N 3.25Å; D25-K27 PolarHBondContact O-N 3.1Å; D25-Q28 PolarHBondContact O-N 2.98Å; D25-Q28 VanDerWaalsContact O-N 3.11Å; D25-K29 WeakPolarHBondContact O-CG 3.17Å; D25-K29 PolarHBondContact O-N 2.76Å; D25-K29 WeakPolarHBondContact OD1-CD 3.34Å; D25-K29 WeakPolarHBondContact OD1-CE 3.48Å; D25-K29 IonicContact OD1-NZ 3.95Å; D25-K29 PolarHBondContact OD1-NZ 3.48Å
26L87.6Confident85.6Confident1 Ų176.9 Ų76.91%0.00539%0.391CS..Hα-helixtrans-55.1-42171.8-70.5166.8000111.7L15 S17 D21 M22 K29 Y30 W65 L68L15-L26 HydrophobicContact CD1-CD2 4.49Å; S17-L26 VanDerWaalsContact CB-CD2 3.4Å; S17-L26 WeakPolarHBondContact OG-CD2 3.29Å; D21-L26 HydrophobicContact CB-CG 4.4Å; M22-L26 PolarHBondContact O-N 3.08Å; M22-L26 VanDerWaalsContact O-N 3.07Å; L26-K29 PolarHBondContact O-N 2.88Å; L26-Y30 WeakPolarHBondContact O-CB 3.36Å; L26-Y30 PolarHBondContact O-N 2.77Å; L26-W65 VanDerWaalsContact C-CZ3 3.48Å; L26-W65 HydrophobicContact CB-CE3 4.38Å; L26-W65 HydrophobicContact CB-CZ3 3.74Å; L26-L68 HydrophobicContact CD1-CB 4.29Å; L26-L68 HydrophobicContact CD2-CD1 3.97Å
27K87.8Confident85.6Confident101 Ų10173.2 Ų73.244%0.43937%0.373SS..Hα-helixtrans-64.7-42.8177.7-169.4176.5177.7179.10112L23 Q24 D25 Q31 W65L23-K27 WeakPolarHBondContact O-CB 3.41Å; L23-K27 PolarHBondContact O-N 3.46Å; Q24-K27 WeakPolarHBondContact O-CB 3.44Å; Q24-K27 PolarHBondContact O-N 3.32Å; D25-K27 VanDerWaalsContact C-N 3.25Å; D25-K27 PolarHBondContact O-N 3.1Å; K27-Q31 WeakPolarHBondContact O-CB 3.48Å; K27-Q31 VanDerWaalsContact O-CG 3.27Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 3.21Å; K27-W65 VanDerWaalsContact CA-CH2 3.49Å; K27-W65 VanDerWaalsContact CA-CZ3 3.46Å; K27-W65 HydrophobicContact CB-CH2 3.46Å; K27-W65 VanDerWaalsContact CB-CH2 3.46Å; K27-W65 HydrophobicContact CB-CZ2 4.15Å; K27-W65 HydrophobicContact CB-CZ3 3.97Å; K27-W65 HydrophobicContact CD-CH2 4.48Å; K27-W65 HydrophobicContact CG-CH2 3.82Å; K27-W65 HydrophobicContact CG-CZ2 3.99Å; K27-W65 VanDerWaalsContact N-CZ3 3.31Å
28Q89.8Confident85.3Confident117 Ų11776.4 Ų76.455%0.54739%0.386SS..Hα-helixtrans-65.4-43.1178.1-75.3-173.9-33.800111.5Q24 D25 Q31 R32Q24-Q28 WeakPolarHBondContact O-CG 3.31Å; Q24-Q28 PolarHBondContact O-N 3.31Å; D25-Q28 PolarHBondContact O-N 2.98Å; D25-Q28 VanDerWaalsContact O-N 3.11Å; Q28-Q31 PolarHBondContact O-N 2.87Å; Q28-R32 WeakPolarHBondContact O-CB 3.22Å; Q28-R32 PolarHBondContact O-N 3.01Å
29K90.3Very high84.9Confident41 Ų4177 Ų7718%0.17839%0.388CS..Hα-helixtrans-62.5-46.5175.6-72.5173.3175162.40111.7L15 E16 D21 D25 L26 Q31 R32 L33L15-K29 WeakPolarHBondContact O-CB 3.5Å; E16-K29 WeakPolarHBondContact O-CD 3.18Å; E16-K29 VanDerWaalsContact O-CE 3.29Å; E16-K29 WeakPolarHBondContact O-CE 3.42Å; E16-K29 PolarHBondContact O-NZ 3.28Å; D21-K29 IonicContact OD1-NZ 3.94Å; D21-K29 IonicContact OD2-NZ 2.69Å; D21-K29 PolarHBondContact OD2-NZ 3.27Å; D25-K29 WeakPolarHBondContact O-CG 3.17Å; D25-K29 PolarHBondContact O-N 2.76Å; D25-K29 WeakPolarHBondContact OD1-CD 3.34Å; D25-K29 WeakPolarHBondContact OD1-CE 3.48Å; D25-K29 IonicContact OD1-NZ 3.95Å; D25-K29 PolarHBondContact OD1-NZ 3.48Å; L26-K29 PolarHBondContact O-N 2.88Å; K29-Q31 PolarHBondContact O-N 3.09Å; K29-R32 PolarHBondContact O-N 2.64Å; K29-L33 WeakPolarHBondContact O-CB 3.33Å; K29-L33 VanDerWaalsContact O-CG 3.31Å; K29-L33 WeakPolarHBondContact O-CG 3.34Å; K29-L33 PolarHBondContact O-N 3.3Å
30Y90.3Very high84.8Confident46 Ų4680 Ų8018%0.1840%0.4CS..Hα-helixtrans-55.4-50.1173.3169.3-105.3000111.9L15 L26 R32 L33 A34 V61 D62 W65L15-Y30 HydrophobicContact CD2-CD2 4.32Å; L26-Y30 WeakPolarHBondContact O-CB 3.36Å; L26-Y30 PolarHBondContact O-N 2.77Å; Y30-R32 VanDerWaalsContact C-N 3.31Å; Y30-R32 PolarHBondContact O-N 3.35Å; Y30-L33 PolarHBondContact O-N 2.83Å; Y30-A34 HydrophobicContact CE2-CB 4.41Å; Y30-A34 WeakPolarHBondContact O-CB 3.48Å; Y30-A34 PolarHBondContact O-N 2.86Å; Y30-V61 HydrophobicContact CD2-CG1 3.59Å; Y30-V61 HydrophobicContact CE2-CG1 4Å; Y30-D62 PolarHBondContact OH-OD2 3.17Å; Y30-W65 AromaticContact CD1-CD1 3.9Å; Y30-W65 HydrophobicContact CD1-CD2 4Å; Y30-W65 AromaticContact CD1-CG 3.91Å; Y30-W65 HydrophobicContact CD1-CG 3.91Å; Y30-W65 AromaticContact CD1-NE1 3.99Å; Y30-W65 HydrophobicContact CD2-CB 3.33Å; Y30-W65 AromaticContact CD2-CD1 3.99Å; Y30-W65 HydrophobicContact CD2-CD2 4.22Å; Y30-W65 AromaticContact CD2-CG 3.54Å; Y30-W65 HydrophobicContact CD2-CG 3.54Å; Y30-W65 AromaticContact CE1-CD1 3.74Å; Y30-W65 HydrophobicContact CE1-CG 4.16Å; Y30-W65 AromaticContact CE1-NE1 3.94Å; Y30-W65 HydrophobicContact CE2-CB 3.64Å; Y30-W65 AromaticContact CE2-CD1 3.83Å; Y30-W65 AromaticContact CE2-CG 3.81Å; Y30-W65 HydrophobicContact CE2-CG 3.81Å; Y30-W65 HydrophobicContact CG-CB 3.84Å; Y30-W65 AromaticContact CG-CD2 3.77Å; Y30-W65 HydrophobicContact CG-CD2 3.77Å; Y30-W65 HydrophobicContact CG-CE3 4.24Å; Y30-W65 AromaticContact CG-CG 3.57Å; Y30-W65 HydrophobicContact CG-CG 3.57Å; Y30-W65 AromaticContact CZ-CD1 3.68Å
31Q88.5Confident84.3Confident97 Ų9781.2 Ų81.245%0.45339%0.391SS..Hα-helixtrans-59.8-41.6179.5-75176.1-5.500112.2K27 Q28 K29 L35K27-Q31 WeakPolarHBondContact O-CB 3.48Å; K27-Q31 VanDerWaalsContact O-CG 3.27Å; K27-Q31 WeakPolarHBondContact O-CG 3.49Å; K27-Q31 PolarHBondContact O-N 3.21Å; Q28-Q31 PolarHBondContact O-N 2.87Å; K29-Q31 PolarHBondContact O-N 3.09Å; Q31-L35 WeakPolarHBondContact O-CB 3.36Å; Q31-L35 WeakPolarHBondContact O-CD1 3.4Å; Q31-L35 WeakPolarHBondContact O-CG 3.25Å; Q31-L35 PolarHBondContact O-N 2.99Å; Q31-L35 VanDerWaalsContact O-N 3.08Å
32R90.3Very high83.4Confident135 Ų13581.6 Ų81.651%0.50939%0.391SS..Hα-helixtrans-62.8-47.1176.8-174.6178.667.9106.24.8111.6E16 Q28 K29 Y30 L35 M36E16-R32 IonicContact OE2-CZ 3.96Å; E16-R32 IonicContact OE2-NH2 2.94Å; E16-R32 PolarHBondContact OE2-NH2 2.87Å; Q28-R32 WeakPolarHBondContact O-CB 3.22Å; Q28-R32 PolarHBondContact O-N 3.01Å; K29-R32 PolarHBondContact O-N 2.64Å; Y30-R32 VanDerWaalsContact C-N 3.31Å; Y30-R32 PolarHBondContact O-N 3.35Å; R32-L35 PolarHBondContact O-N 3.02Å; R32-M36 WeakPolarHBondContact O-CB 3.43Å; R32-M36 PolarHBondContact O-N 3.45Å; R32-M36 VanDerWaalsContact O-N 3.16Å
33L88.7Confident82.4Confident4 Ų476.5 Ų76.52%0.02138%0.376CS..Hα-helixtrans-69.1-44.8-178.8-68.8165.6000111.5L15 K29 Y30 L35 M36 Y37 V61L15-L33 HydrophobicContact CD2-CD1 4.16Å; K29-L33 WeakPolarHBondContact O-CB 3.33Å; K29-L33 VanDerWaalsContact O-CG 3.31Å; K29-L33 WeakPolarHBondContact O-CG 3.34Å; K29-L33 PolarHBondContact O-N 3.3Å; Y30-L33 PolarHBondContact O-N 2.83Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 3Å; L33-M36 WeakPolarHBondContact O-CB 2.95Å; L33-M36 PolarHBondContact O-N 3.24Å; L33-Y37 HydrophobicContact CB-CD2 4.35Å; L33-Y37 HydrophobicContact CB-CE2 4.43Å; L33-Y37 HydrophobicContact CD2-CD2 4.49Å; L33-Y37 HydrophobicContact CD2-CE2 3.77Å; L33-Y37 WeakPolarHBondContact O-CD2 3.38Å; L33-Y37 PolarHBondContact O-N 3.14Å; L33-V61 HydrophobicContact CB-CG1 3.8Å; L33-V61 HydrophobicContact CB-CG2 4.02Å; L33-V61 HydrophobicContact CD1-CG1 4.49Å; L33-V61 HydrophobicContact CD1-CG2 4.22Å
34A87.1Confident81.2Confident15 Ų1579.2 Ų79.212%0.12440%0.399CS..Hα-helixtrans-57.9-40.6175.700000111.7Y30 M36 H38 F58Y30-A34 HydrophobicContact CE2-CB 4.41Å; Y30-A34 WeakPolarHBondContact O-CB 3.48Å; Y30-A34 PolarHBondContact O-N 2.86Å; A34-M36 VanDerWaalsContact C-N 3.3Å; A34-M36 PolarHBondContact O-N 3.13Å; A34-H38 WeakPolarHBondContact O-CB 3.49Å; A34-H38 PolarHBondContact O-N 2.82Å; A34-H38 VanDerWaalsContact O-N 3.1Å; A34-F58 HydrophobicContact CB-CE2 4.08Å
35L85.3Confident80.4Confident105 Ų10580.2 Ų80.255%0.5541%0.409SS..Hα-helixtrans-72.1-19.9175.9-75169.8000114.3Q31 R32 L33 K41Q31-L35 WeakPolarHBondContact O-CB 3.36Å; Q31-L35 WeakPolarHBondContact O-CD1 3.4Å; Q31-L35 WeakPolarHBondContact O-CG 3.25Å; Q31-L35 PolarHBondContact O-N 2.99Å; Q31-L35 VanDerWaalsContact O-N 3.08Å; R32-L35 PolarHBondContact O-N 3.02Å; L33-L35 VanDerWaalsContact C-N 3.27Å; L33-L35 PolarHBondContact O-N 3Å; L35-K41 WeakPolarHBondContact O-CD 3.21Å; L35-K41 WeakPolarHBondContact O-CE 3.39Å; L35-K41 PolarHBondContact O-NZ 3.44Å
36M82.9Confident79.6Confident111 Ų11180.2 Ų80.255%0.54741%0.411SS..Hα-helixtrans-86.4-40.1178.5-178.7171.2175.900111.3R32 L33 A34R32-M36 WeakPolarHBondContact O-CB 3.43Å; R32-M36 PolarHBondContact O-N 3.45Å; R32-M36 VanDerWaalsContact O-N 3.16Å; L33-M36 WeakPolarHBondContact O-CB 2.95Å; L33-M36 PolarHBondContact O-N 3.24Å; A34-M36 VanDerWaalsContact C-N 3.3Å; A34-M36 PolarHBondContact O-N 3.13Å
37Y82.4Confident79.2Confident38 Ų3883.3 Ų83.315%0.14943%0.429CS..Hα-helixtrans-95.86-178-60.8-66.7000113.9L33 H54 R57L33-Y37 HydrophobicContact CB-CD2 4.35Å; L33-Y37 HydrophobicContact CB-CE2 4.43Å; L33-Y37 HydrophobicContact CD2-CD2 4.49Å; L33-Y37 HydrophobicContact CD2-CE2 3.77Å; L33-Y37 WeakPolarHBondContact O-CD2 3.38Å; L33-Y37 PolarHBondContact O-N 3.14Å; Y37-H54 AromaticContact CD1-ND1 3.84Å; Y37-R57 HydrophobicContact CD1-CB 3.67Å; Y37-R57 HydrophobicContact CD1-CG 4.25Å; Y37-R57 HydrophobicContact CD2-CB 4.15Å; Y37-R57 HydrophobicContact CE1-CB 3.9Å; Y37-R57 HydrophobicContact CE1-CG 4.03Å; Y37-R57 HydrophobicContact CE2-CB 4.35Å; Y37-R57 HydrophobicContact CG-CB 3.82Å
38H79.8Confident78.7Confident81 Ų8183.9 Ų83.938%0.37544%0.441SS..  trans-65.3130.9179.7-161.6-91.2000111.7A34 D40 K41A34-H38 WeakPolarHBondContact O-CB 3.49Å; A34-H38 PolarHBondContact O-N 2.82Å; A34-H38 VanDerWaalsContact O-N 3.1Å; H38-D40 VanDerWaalsContact CE1-CB 3.44Å; H38-D40 WeakPolarHBondContact CE1-CB 3.08Å; H38-D40 WeakPolarHBondContact ND1-CB 3.44Å; H38-D40 PolarHBondContact ND1-N 2.64Å; H38-D40 VanDerWaalsContact ND1-N 3.17Å; H38-D40 PolarHBondContact O-N 3.48Å; H38-K41 PolarHBondContact O-N 3.47Å; H38-K41 VanDerWaalsContact O-N 3.13Å
39P72.7Confident78.2Confident73 Ų7382.3 Ų82.347%0.47444%0.44SS..G310 helixtrans-62.8-26.5-176.924.3-34.5000113.4K41 Q42P39-K41 PolarHBondContact O-N 3.4Å; P39-Q42 VanDerWaalsContact O-CB 3.23Å; P39-Q42 WeakPolarHBondContact O-CB 3.32Å; P39-Q42 WeakPolarHBondContact O-CG 3.45Å; P39-Q42 PolarHBondContact O-N 3.17Å; P39-Q42 VanDerWaalsContact O-N 3.12Å
40D74.4Confident77.8Confident142 Ų14284.4 Ų84.476%0.75945%0.45SS*.G310 helixtrans-65.7-19.9178-162.8-113000114H38H38-D40 VanDerWaalsContact CE1-CB 3.44Å; H38-D40 WeakPolarHBondContact CE1-CB 3.08Å; H38-D40 WeakPolarHBondContact ND1-CB 3.44Å; H38-D40 PolarHBondContact ND1-N 2.64Å; H38-D40 VanDerWaalsContact ND1-N 3.17Å; H38-D40 PolarHBondContact O-N 3.48Å
41K67Low77.3Confident140 Ų14084.2 Ų84.261%0.60946%0.458SS*.G310 helixtrans-91.50.4175.7-70.3-163.5-177.2176.60113.7L35 H38 P39 G43L35-K41 WeakPolarHBondContact O-CD 3.21Å; L35-K41 WeakPolarHBondContact O-CE 3.39Å; L35-K41 PolarHBondContact O-NZ 3.44Å; H38-K41 PolarHBondContact O-N 3.47Å; H38-K41 VanDerWaalsContact O-N 3.13Å; P39-K41 PolarHBondContact O-N 3.4Å; K41-G43 PolarHBondContact O-N 3.48Å
42Q64.2Low77Confident46 Ų4685.1 Ų85.122%0.21546%0.462CS..  trans-74.4117176.8-58.4-93.1-77.900108.2P39 V46 H54P39-Q42 VanDerWaalsContact O-CB 3.23Å; P39-Q42 WeakPolarHBondContact O-CB 3.32Å; P39-Q42 WeakPolarHBondContact O-CG 3.45Å; P39-Q42 PolarHBondContact O-N 3.17Å; P39-Q42 VanDerWaalsContact O-N 3.12Å; Q42-V46 HydrophobicContact CB-CG2 4.33Å; Q42-H54 PolarHBondContact NE2-CE1 3.23Å; Q42-H54 VanDerWaalsContact NE2-CE1 3.29Å; Q42-H54 PolarHBondContact NE2-ND1 2.89Å
43G63.1Low76.7Confident38 Ų3884.4 Ų84.439%0.39247%0.465SS..  trans-67.5162.7173.400000111.3K41 D45 V46K41-G43 PolarHBondContact O-N 3.48Å; G43-D45 PolarHBondContact O-N 3.2Å; G43-V46 WeakPolarHBondContact O-CG2 3.38Å; G43-V46 PolarHBondContact O-N 2.93Å
44P60.3Low76.4Confident148 Ų14886.9 Ų86.996%0.96148%0.476SS*.THydrogen-bonded Turntrans-66.1-3177.628.4-35.5000114.4
45D67.6Low76.2Confident156 Ų15690.4 Ų90.483%0.83449%0.492SS*.THydrogen-bonded Turntrans-94.1-6.2-178.8-159-122.2000113.1G43G43-D45 PolarHBondContact O-N 3.2Å
46V71.6Confident76.3Confident50 Ų5090.4 Ų90.430%0.30349%0.492SS..  trans-76.7130.6-177.3-175.60000109.9Q42 G43 E50Q42-V46 HydrophobicContact CB-CG2 4.33Å; G43-V46 WeakPolarHBondContact O-CG2 3.38Å; G43-V46 PolarHBondContact O-N 2.93Å; V46-E50 HydrophobicContact CG1-CB 3.28Å; V46-E50 HydrophobicContact CG1-CG 4.35Å
47T79.2Confident76.4Confident65 Ų6591.7 Ų91.740%0.39949%0.491SS..  trans-66.2154.9176.762.10000111T49 E50 A51T47-T49 PolarHBondContact O-N 3.12Å; T47-T49 PolarHBondContact OG1-OG1 3.17Å; T47-E50 WeakPolarHBondContact CB-OE2 3.33Å; T47-E50 WeakPolarHBondContact CG2-OE2 3.22Å; T47-E50 PolarHBondContact N-OE2 3.38Å; T47-E50 PolarHBondContact O-N 2.9Å; T47-E50 VanDerWaalsContact O-N 3.08Å; T47-E50 VanDerWaalsContact OG1-CD 3.31Å; T47-E50 VanDerWaalsContact OG1-CG 3.25Å; T47-E50 WeakPolarHBondContact OG1-CG 3.49Å; T47-E50 PolarHBondContact OG1-N 3.13Å; T47-E50 PolarHBondContact OG1-OE2 3.41Å; T47-A51 PolarHBondContact O-N 3Å
48V78.2Confident76.7Confident114 Ų11492.4 Ų92.469%0.69150%0.495SS*.Hα-helixtrans-53.8-39.5177.61790000111.2A51 E52V48-A51 PolarHBondContact O-N 3.4Å; V48-E52 WeakPolarHBondContact O-CG 3.46Å; V48-E52 PolarHBondContact O-N 3.35Å
49T79.4Confident77.1Confident83 Ų8391.9 Ų91.951%0.50950%0.495SS..Hα-helixtrans-62.6-44.8177.340.30000112.9T47 A51 E52 E53T47-T49 PolarHBondContact O-N 3.12Å; T47-T49 PolarHBondContact OG1-OG1 3.17Å; T49-A51 VanDerWaalsContact C-N 3.32Å; T49-A51 PolarHBondContact O-N 2.87Å; T49-E52 PolarHBondContact O-N 3.25Å; T49-E53 WeakPolarHBondContact O-CG 3.41Å; T49-E53 PolarHBondContact O-N 3.26Å
50E80.6Confident77.9Confident85 Ų8591 Ų9140%0.39748%0.484SS..Hα-helixtrans-67.1-36178.1-74.1167.2120.200111.3V46 T47 E53 H54V46-E50 HydrophobicContact CG1-CB 3.28Å; V46-E50 HydrophobicContact CG1-CG 4.35Å; T47-E50 WeakPolarHBondContact CB-OE2 3.33Å; T47-E50 WeakPolarHBondContact CG2-OE2 3.22Å; T47-E50 PolarHBondContact N-OE2 3.38Å; T47-E50 PolarHBondContact O-N 2.9Å; T47-E50 VanDerWaalsContact O-N 3.08Å; T47-E50 VanDerWaalsContact OG1-CD 3.31Å; T47-E50 VanDerWaalsContact OG1-CG 3.25Å; T47-E50 WeakPolarHBondContact OG1-CG 3.49Å; T47-E50 PolarHBondContact OG1-N 3.13Å; T47-E50 PolarHBondContact OG1-OE2 3.41Å; E50-E53 PolarHBondContact O-N 3.45Å; E50-H54 WeakPolarHBondContact O-CB 3.18Å; E50-H54 PolarHBondContact O-CD2 3.3Å; E50-H54 PolarHBondContact O-N 3.5Å
51A79.4Confident78.6Confident42 Ų4284.4 Ų84.435%0.34745%0.449SS..Hα-helixtrans-64.6-39.8174.600000112.6T47 V48 T49 L55T47-A51 PolarHBondContact O-N 3Å; V48-A51 PolarHBondContact O-N 3.4Å; T49-A51 VanDerWaalsContact C-N 3.32Å; T49-A51 PolarHBondContact O-N 2.87Å; A51-L55 WeakPolarHBondContact O-CB 3.36Å; A51-L55 PolarHBondContact O-N 3.09Å
52E82.9Confident79.6Confident116 Ų11680.6 Ų80.654%0.54244%0.435SS..Hα-helixtrans-64.1-43.9173-71178.9120.200111.6V48 T49 H54 L55 L56V48-E52 WeakPolarHBondContact O-CG 3.46Å; V48-E52 PolarHBondContact O-N 3.35Å; T49-E52 PolarHBondContact O-N 3.25Å; E52-H54 PolarHBondContact O-N 3.43Å; E52-L55 PolarHBondContact O-N 3.39Å; E52-L56 WeakPolarHBondContact O-CB 3.24Å; E52-L56 VanDerWaalsContact O-CG 3.27Å; E52-L56 WeakPolarHBondContact O-CG 3.43Å; E52-L56 PolarHBondContact O-N 2.93Å
53E83.9Confident80.8Confident120 Ų12082.6 Ų82.656%0.56144%0.444SS*.Hα-helixtrans-62.5-42.8177.2-73.4-176.891.100112.5T49 E50 L56 R57T49-E53 WeakPolarHBondContact O-CG 3.41Å; T49-E53 PolarHBondContact O-N 3.26Å; E50-E53 PolarHBondContact O-N 3.45Å; E53-L56 PolarHBondContact O-N 3.27Å; E53-R57 WeakPolarHBondContact O-CB 3.35Å; E53-R57 VanDerWaalsContact O-CG 3.3Å; E53-R57 WeakPolarHBondContact O-CG 3.31Å; E53-R57 PolarHBondContact O-N 2.93Å
54H82.4Confident82.1Confident56 Ų5680.8 Ų80.826%0.25943%0.426SS..Hα-helixtrans-63.4-41.9175.8-86.3-114.1000112Y37 Q42 E50 E52 R57 F58Y37-H54 AromaticContact CD1-ND1 3.84Å; Q42-H54 PolarHBondContact NE2-CE1 3.23Å; Q42-H54 VanDerWaalsContact NE2-CE1 3.29Å; Q42-H54 PolarHBondContact NE2-ND1 2.89Å; E50-H54 WeakPolarHBondContact O-CB 3.18Å; E50-H54 PolarHBondContact O-CD2 3.3Å; E50-H54 PolarHBondContact O-N 3.5Å; E52-H54 PolarHBondContact O-N 3.43Å; H54-R57 PolarHBondContact O-N 3.37Å; H54-F58 WeakPolarHBondContact O-CB 3.23Å; H54-F58 PolarHBondContact O-N 2.97Å
55L83.8Confident83.5Confident89 Ų8975.7 Ų75.747%0.46639%0.387SS..Hα-helixtrans-63.1-44.6175.4-177.465.4000111.4A51 E52 F58 I59A51-L55 WeakPolarHBondContact O-CB 3.36Å; A51-L55 PolarHBondContact O-N 3.09Å; E52-L55 PolarHBondContact O-N 3.39Å; L55-F58 WeakPolarHBondContact O-CB 3.44Å; L55-F58 PolarHBondContact O-N 3.34Å; L55-I59 HydrophobicContact CD1-CD1 4.42Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 3.3Å
56L85.9Confident84.5Confident105 Ų10575.7 Ų75.755%0.5538%0.38SS..Hα-helixtrans-59.6-48.1176.8-73.9169.6000111.3E52 E53 F58 I59 E60E52-L56 WeakPolarHBondContact O-CB 3.24Å; E52-L56 VanDerWaalsContact O-CG 3.27Å; E52-L56 WeakPolarHBondContact O-CG 3.43Å; E52-L56 PolarHBondContact O-N 2.93Å; E53-L56 PolarHBondContact O-N 3.27Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 3.48Å; L56-I59 PolarHBondContact O-N 3.11Å; L56-I59 VanDerWaalsContact O-N 3.17Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 3.11Å
57R85.9Confident85.2Confident138 Ų13875 Ų7552%0.52138%0.376SS..Hα-helixtrans-59-41.7176.1-73.4-69.4-171.1142.70.6112.1Y37 E53 H54 E60 V61Y37-R57 HydrophobicContact CD1-CB 3.67Å; Y37-R57 HydrophobicContact CD1-CG 4.25Å; Y37-R57 HydrophobicContact CD2-CB 4.15Å; Y37-R57 HydrophobicContact CE1-CB 3.9Å; Y37-R57 HydrophobicContact CE1-CG 4.03Å; Y37-R57 HydrophobicContact CE2-CB 4.35Å; Y37-R57 HydrophobicContact CG-CB 3.82Å; E53-R57 WeakPolarHBondContact O-CB 3.35Å; E53-R57 VanDerWaalsContact O-CG 3.3Å; E53-R57 WeakPolarHBondContact O-CG 3.31Å; E53-R57 PolarHBondContact O-N 2.93Å; H54-R57 PolarHBondContact O-N 3.37Å; R57-E60 PolarHBondContact O-N 3.33Å; R57-V61 WeakPolarHBondContact O-CB 3.4Å; R57-V61 WeakPolarHBondContact O-CG2 3.48Å; R57-V61 PolarHBondContact O-N 3.46Å
58F87.9Confident85.5Confident53 Ų5372 Ų7223%0.23236%0.357CS..Hα-helixtrans-61.4-45.7175.9179-94.7000111.8A34 H54 L55 L56 E60 V61 D62A34-F58 HydrophobicContact CB-CE2 4.08Å; H54-F58 WeakPolarHBondContact O-CB 3.23Å; H54-F58 PolarHBondContact O-N 2.97Å; L55-F58 WeakPolarHBondContact O-CB 3.44Å; L55-F58 PolarHBondContact O-N 3.34Å; L56-F58 VanDerWaalsContact C-N 3.31Å; L56-F58 PolarHBondContact O-N 3.48Å; F58-E60 VanDerWaalsContact C-N 3.33Å; F58-E60 PolarHBondContact O-N 2.92Å; F58-V61 PolarHBondContact O-N 2.62Å; F58-D62 WeakPolarHBondContact O-CB 3.39Å; F58-D62 PolarHBondContact O-N 3.23Å
59I87.9Confident85.9Confident71 Ų7168.2 Ų68.236%0.36434%0.336SS..Hα-helixtrans-60.8-43.8177.4-66.9163.4000110.6L55 L56 D62 Q63L55-I59 HydrophobicContact CD1-CD1 4.42Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 3.3Å; L56-I59 PolarHBondContact O-N 3.11Å; L56-I59 VanDerWaalsContact O-N 3.17Å; I59-D62 PolarHBondContact O-N 2.97Å; I59-Q63 HydrophobicContact CG2-CG 4.41Å; I59-Q63 WeakPolarHBondContact O-CB 3.48Å; I59-Q63 VanDerWaalsContact O-CG 3.27Å; I59-Q63 WeakPolarHBondContact O-CG 3.48Å; I59-Q63 PolarHBondContact O-N 3.29Å
60E89.9Confident86.2Confident54 Ų5468.3 Ų68.325%0.25233%0.334SS..Hα-helixtrans-63.5-44.4178.3-70.6-177.1121.500111.9K9 I14 L56 R57 F58 D62 Q63 A64K9-E60 IonicContact NZ-OE1 3.12Å; I14-E60 HydrophobicContact CD1-CB 4.43Å; I14-E60 HydrophobicContact CG2-CB 3.97Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 3.11Å; R57-E60 PolarHBondContact O-N 3.33Å; F58-E60 VanDerWaalsContact C-N 3.33Å; F58-E60 PolarHBondContact O-N 2.92Å; E60-D62 VanDerWaalsContact C-N 3.34Å; E60-D62 PolarHBondContact O-N 3.02Å; E60-Q63 PolarHBondContact O-N 3.27Å; E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.3Å; E60-A64 PolarHBondContact O-N 3.03Å
61V89.9Confident86.3Confident3 Ų372.1 Ų72.12%0.01835%0.351CS..Hα-helixtrans-61.9-40.9176.6166.90000111.4I14 L15 Y30 L33 R57 F58 W65I14-V61 HydrophobicContact CG2-CG2 4.08Å; L15-V61 HydrophobicContact CD2-CG1 4.05Å; Y30-V61 HydrophobicContact CD2-CG1 3.59Å; Y30-V61 HydrophobicContact CE2-CG1 4Å; L33-V61 HydrophobicContact CB-CG1 3.8Å; L33-V61 HydrophobicContact CB-CG2 4.02Å; L33-V61 HydrophobicContact CD1-CG1 4.49Å; L33-V61 HydrophobicContact CD1-CG2 4.22Å; R57-V61 WeakPolarHBondContact O-CB 3.4Å; R57-V61 WeakPolarHBondContact O-CG2 3.48Å; R57-V61 PolarHBondContact O-N 3.46Å; F58-V61 PolarHBondContact O-N 2.62Å; V61-W65 WeakPolarHBondContact O-CB 3.47Å; V61-W65 PolarHBondContact O-N 2.81Å
62D88.7Confident86.5Confident61 Ų6177.2 Ų77.233%0.32637%0.368SS..Hα-helixtrans-68.4-42.6177.3-165.8-104.2000112.6Y30 F58 I59 E60 W65 K66Y30-D62 PolarHBondContact OH-OD2 3.17Å; F58-D62 WeakPolarHBondContact O-CB 3.39Å; F58-D62 PolarHBondContact O-N 3.23Å; I59-D62 PolarHBondContact O-N 2.97Å; E60-D62 VanDerWaalsContact C-N 3.34Å; E60-D62 PolarHBondContact O-N 3.02Å; D62-W65 PolarHBondContact O-N 3.37Å; D62-K66 WeakPolarHBondContact O-CB 3.5Å; D62-K66 PolarHBondContact O-N 2.94Å
63Q89.2Confident86.6Confident87 Ų8774.1 Ų74.141%0.40736%0.357SS..Hα-helixtrans-61.3-46.1174.1-73.2176.17.300111.6W11 I59 E60 W65 K66 V67W11-Q63 HydrophobicContact CH2-CB 3.77Å; W11-Q63 HydrophobicContact CZ3-CB 3.67Å; I59-Q63 HydrophobicContact CG2-CG 4.41Å; I59-Q63 WeakPolarHBondContact O-CB 3.48Å; I59-Q63 VanDerWaalsContact O-CG 3.27Å; I59-Q63 WeakPolarHBondContact O-CG 3.48Å; I59-Q63 PolarHBondContact O-N 3.29Å; E60-Q63 PolarHBondContact O-N 3.27Å; Q63-W65 VanDerWaalsContact C-N 3.32Å; Q63-W65 PolarHBondContact O-N 2.95Å; Q63-K66 PolarHBondContact O-N 3Å; Q63-V67 WeakPolarHBondContact O-CG2 3.4Å; Q63-V67 PolarHBondContact O-N 3.25Å; Q63-V67 VanDerWaalsContact O-N 3.09Å
64A88.9Confident86.6Confident0 Ų070.2 Ų70.20%034%0.338CS..Hα-helixtrans-57.5-47176.100000110.9W11 I14 L15 E60 K66 V67 L68W11-A64 HydrophobicContact CB-CB 4.03Å; W11-A64 HydrophobicContact CD2-CB 4.29Å; W11-A64 VanDerWaalsContact CE3-CA 3.49Å; W11-A64 HydrophobicContact CE3-CB 3.63Å; W11-A64 HydrophobicContact CG-CB 4.48Å; W11-A64 HydrophobicContact CZ3-CB 4.45Å; I14-A64 HydrophobicContact CB-CB 4.17Å; I14-A64 HydrophobicContact CG2-CB 3.9Å; L15-A64 HydrophobicContact CD1-CB 3.58Å; L15-A64 HydrophobicContact CG-CB 3.67Å; E60-A64 VanDerWaalsContact O-CB 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.3Å; E60-A64 PolarHBondContact O-N 3.03Å; A64-K66 PolarHBondContact O-N 3.31Å; A64-V67 PolarHBondContact O-N 3.07Å; A64-L68 WeakPolarHBondContact O-CB 3.19Å; A64-L68 WeakPolarHBondContact O-CG 3.31Å; A64-L68 PolarHBondContact O-N 3.5Å
65W89.6Confident86.6Confident41 Ų4176 Ų7616%0.15536%0.358CS..Hα-helixtrans-64.6-40.9177.9176.8-112000112.1L15 L26 K27 Y30 V61 D62 Q63 V67 L68 S69L15-W65 HydrophobicContact CD1-CB 4.48Å; L26-W65 VanDerWaalsContact C-CZ3 3.48Å; L26-W65 HydrophobicContact CB-CE3 4.38Å; L26-W65 HydrophobicContact CB-CZ3 3.74Å; K27-W65 VanDerWaalsContact CA-CH2 3.49Å; K27-W65 VanDerWaalsContact CA-CZ3 3.46Å; K27-W65 HydrophobicContact CB-CH2 3.46Å; K27-W65 VanDerWaalsContact CB-CH2 3.46Å; K27-W65 HydrophobicContact CB-CZ2 4.15Å; K27-W65 HydrophobicContact CB-CZ3 3.97Å; K27-W65 HydrophobicContact CD-CH2 4.48Å; K27-W65 HydrophobicContact CG-CH2 3.82Å; K27-W65 HydrophobicContact CG-CZ2 3.99Å; K27-W65 VanDerWaalsContact N-CZ3 3.31Å; Y30-W65 AromaticContact CD1-CD1 3.9Å; Y30-W65 HydrophobicContact CD1-CD2 4Å; Y30-W65 AromaticContact CD1-CG 3.91Å; Y30-W65 HydrophobicContact CD1-CG 3.91Å; Y30-W65 AromaticContact CD1-NE1 3.99Å; Y30-W65 HydrophobicContact CD2-CB 3.33Å; Y30-W65 AromaticContact CD2-CD1 3.99Å; Y30-W65 HydrophobicContact CD2-CD2 4.22Å; Y30-W65 AromaticContact CD2-CG 3.54Å; Y30-W65 HydrophobicContact CD2-CG 3.54Å; Y30-W65 AromaticContact CE1-CD1 3.74Å; Y30-W65 HydrophobicContact CE1-CG 4.16Å; Y30-W65 AromaticContact CE1-NE1 3.94Å; Y30-W65 HydrophobicContact CE2-CB 3.64Å; Y30-W65 AromaticContact CE2-CD1 3.83Å; Y30-W65 AromaticContact CE2-CG 3.81Å; Y30-W65 HydrophobicContact CE2-CG 3.81Å; Y30-W65 HydrophobicContact CG-CB 3.84Å; Y30-W65 AromaticContact CG-CD2 3.77Å; Y30-W65 HydrophobicContact CG-CD2 3.77Å; Y30-W65 HydrophobicContact CG-CE3 4.24Å; Y30-W65 AromaticContact CG-CG 3.57Å; Y30-W65 HydrophobicContact CG-CG 3.57Å; Y30-W65 AromaticContact CZ-CD1 3.68Å; V61-W65 WeakPolarHBondContact O-CB 3.47Å; V61-W65 PolarHBondContact O-N 2.81Å; D62-W65 PolarHBondContact O-N 3.37Å; Q63-W65 VanDerWaalsContact C-N 3.32Å; Q63-W65 PolarHBondContact O-N 2.95Å; W65-V67 PolarHBondContact O-N 3.44Å; W65-L68 PolarHBondContact O-N 2.93Å; W65-S69 VanDerWaalsContact CE2-CB 3.45Å; W65-S69 WeakPolarHBondContact O-CA 3.46Å; W65-S69 WeakPolarHBondContact O-CB 3.44Å; W65-S69 PolarHBondContact O-N 3.35Å; W65-S69 PolarHBondContact O-OG 2.92Å
66K88.5Confident86.7Confident156 Ų15674.3 Ų74.368%0.67836%0.357SS*.Hα-helixtrans-59.6-36176.8-169.5173.7-177.31770112.4D62 Q63 A64D62-K66 WeakPolarHBondContact O-CB 3.5Å; D62-K66 PolarHBondContact O-N 2.94Å; Q63-K66 PolarHBondContact O-N 3Å; A64-K66 PolarHBondContact O-N 3.31Å
67V86.9Confident86.5Confident36 Ų3670.7 Ų70.722%0.21834%0.336CS..Hα-helixtrans-77.7-43.6176.4178.50000111.7Q63 A64 W65 T73 K74 Y77Q63-V67 WeakPolarHBondContact O-CG2 3.4Å; Q63-V67 PolarHBondContact O-N 3.25Å; Q63-V67 VanDerWaalsContact O-N 3.09Å; A64-V67 PolarHBondContact O-N 3.07Å; W65-V67 PolarHBondContact O-N 3.44Å; V67-T73 CarbonylContact O-C 3.36Å; V67-T73 VanDerWaalsContact O-CB 3.32Å; V67-T73 WeakPolarHBondContact O-CB 3.38Å; V67-T73 PolarHBondContact O-OG1 3.36Å; V67-K74 PolarHBondContact O-N 3.17Å; V67-K74 VanDerWaalsContact O-N 3.09Å; V67-Y77 HydrophobicContact CG1-CD1 4.49Å; V67-Y77 HydrophobicContact CG1-CD2 4.24Å; V67-Y77 HydrophobicContact CG1-CG 3.88Å
68L86.1Confident86.4Confident1 Ų166.9 Ų66.91%0.00533%0.326CS..Hα-helixtrans-87.7-15.8-173.7-60.5-170.4000115W11 Y12 L15 L26 A64 W65 K74 Y77W11-L68 HydrophobicContact CB-CD1 4.18Å; W11-L68 HydrophobicContact CB-CD2 4.36Å; W11-L68 HydrophobicContact CB-CG 4.15Å; Y12-L68 HydrophobicContact CD1-CD1 3.46Å; Y12-L68 VanDerWaalsContact CD1-CD1 3.46Å; Y12-L68 HydrophobicContact CD1-CD2 4.2Å; Y12-L68 HydrophobicContact CE1-CD1 3.6Å; Y12-L68 HydrophobicContact CE1-CD2 3.56Å; Y12-L68 HydrophobicContact CE1-CG 4.22Å; Y12-L68 HydrophobicContact CE2-CD2 4.24Å; Y12-L68 HydrophobicContact CG-CD1 4.13Å; L15-L68 HydrophobicContact CD1-CB 4.4Å; L15-L68 HydrophobicContact CD1-CD1 3.71Å; L15-L68 HydrophobicContact CD1-CG 4.36Å; L26-L68 HydrophobicContact CD1-CB 4.29Å; L26-L68 HydrophobicContact CD2-CD1 3.97Å; A64-L68 WeakPolarHBondContact O-CB 3.19Å; A64-L68 WeakPolarHBondContact O-CG 3.31Å; A64-L68 PolarHBondContact O-N 3.5Å; W65-L68 PolarHBondContact O-N 2.93Å; L68-K74 HydrophobicContact CD2-CG 4.3Å; L68-Y77 HydrophobicContact CD2-CD1 4.34Å
69S85.6Confident86.2Confident36 Ų3669.1 Ų69.125%0.25234%0.34SS..SBendtrans-76.4-20.8-175.761.80000114.5L23 W65L23-S69 WeakPolarHBondContact CD1-O 3.21Å; W65-S69 VanDerWaalsContact CE2-CB 3.45Å; W65-S69 WeakPolarHBondContact O-CA 3.46Å; W65-S69 WeakPolarHBondContact O-CB 3.44Å; W65-S69 PolarHBondContact O-N 3.35Å; W65-S69 PolarHBondContact O-OG 2.92Å
70N86.6Confident85.9Confident85 Ų8571.8 Ų71.846%0.45535%0.351SS..SBendtrans-111.1134.9175.1-175-14.8000109.3E72 T73 K74N70-E72 PolarHBondContact O-N 3.15Å; N70-E72 PolarHBondContact OD1-N 2.97Å; N70-E72 VanDerWaalsContact OD1-N 3.1Å; N70-T73 HydrophobicContact CB-CG2 4.39Å; N70-T73 WeakPolarHBondContact CB-OG1 3.39Å; N70-T73 PolarHBondContact O-N 3.41Å; N70-T73 PolarHBondContact O-OG1 3.41Å; N70-K74 VanDerWaalsContact O-CB 3.25Å; N70-K74 WeakPolarHBondContact O-CB 3.27Å; N70-K74 PolarHBondContact O-N 2.83Å
71Q81.4Confident85.4Confident164 Ų16471.2 Ų71.277%0.76635%0.349SS*.Hα-helixtrans-60.4-34.5-179.5-170.8173.422.600112.1R75Q71-R75 WeakPolarHBondContact O-CB 3.27Å; Q71-R75 PolarHBondContact O-N 2.92Å
72E85.4Confident84.8Confident149 Ų14979.2 Ų79.270%0.69638%0.379SS*.Hα-helixtrans-69.7-47.3178.5-172175.489.500111.8N70 R75 A76N70-E72 PolarHBondContact O-N 3.15Å; N70-E72 PolarHBondContact OD1-N 2.97Å; N70-E72 VanDerWaalsContact OD1-N 3.1Å; E72-R75 PolarHBondContact O-N 2.93Å; E72-A76 WeakPolarHBondContact O-CB 3.4Å; E72-A76 PolarHBondContact O-N 2.84Å
73T84.7Confident84.3Confident51 Ų5178.6 Ų78.631%0.31338%0.382SS..Hα-helixtrans-69.2-37.517954.70000111.8V67 N70 A76 Y77V67-T73 CarbonylContact O-C 3.36Å; V67-T73 VanDerWaalsContact O-CB 3.32Å; V67-T73 WeakPolarHBondContact O-CB 3.38Å; V67-T73 PolarHBondContact O-OG1 3.36Å; N70-T73 HydrophobicContact CB-CG2 4.39Å; N70-T73 WeakPolarHBondContact CB-OG1 3.39Å; N70-T73 PolarHBondContact O-N 3.41Å; N70-T73 PolarHBondContact O-OG1 3.41Å; T73-A76 PolarHBondContact O-N 3.17Å; T73-Y77 WeakPolarHBondContact O-CB 3.44Å; T73-Y77 PolarHBondContact O-N 2.95Å
74K83.3Confident83.3Confident39 Ų3975.8 Ų75.817%0.1737%0.372CS..Hα-helixtrans-59.2-48.7171.8179175.5175.9167.80110.2Y12 P19 V67 L68 N70 A76 Y77 D78Y12-K74 WeakPolarHBondContact OH-CE 3.46Å; P19-K74 PolarHBondContact O-NZ 3.18Å; V67-K74 PolarHBondContact O-N 3.17Å; V67-K74 VanDerWaalsContact O-N 3.09Å; L68-K74 HydrophobicContact CD2-CG 4.3Å; N70-K74 VanDerWaalsContact O-CB 3.25Å; N70-K74 WeakPolarHBondContact O-CB 3.27Å; N70-K74 PolarHBondContact O-N 2.83Å; K74-A76 PolarHBondContact O-N 2.75Å; K74-Y77 PolarHBondContact O-N 2.87Å; K74-D78 VanDerWaalsContact O-CG 3.28Å; K74-D78 PolarHBondContact O-N 2.89Å
75R82.7Confident82.2Confident177 Ų17779.3 Ų79.367%0.66839%0.389SS*.Hα-helixtrans-62.2-42.5177.9-175.7179.3-174.5143.52.4112Q71 E72 Y77 D78 L79Q71-R75 WeakPolarHBondContact O-CB 3.27Å; Q71-R75 PolarHBondContact O-N 2.92Å; E72-R75 PolarHBondContact O-N 2.93Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; R75-D78 PolarHBondContact O-N 3.3Å; R75-L79 HydrophobicContact CG-CD1 4.11Å; R75-L79 HydrophobicContact CG-CG 4.44Å; R75-L79 WeakPolarHBondContact O-CB 3.43Å; R75-L79 VanDerWaalsContact O-CG 3.24Å; R75-L79 WeakPolarHBondContact O-CG 3.22Å; R75-L79 PolarHBondContact O-N 2.89Å
76A85.1Confident81Confident54 Ų5483.3 Ų83.345%0.44641%0.412SS..Hα-helixtrans-61.6-43176.900000111.4E72 T73 K74 L79 Q80E72-A76 WeakPolarHBondContact O-CB 3.4Å; E72-A76 PolarHBondContact O-N 2.84Å; T73-A76 PolarHBondContact O-N 3.17Å; K74-A76 PolarHBondContact O-N 2.75Å; A76-L79 PolarHBondContact O-N 2.95Å; A76-Q80 WeakPolarHBondContact O-CB 3.25Å; A76-Q80 PolarHBondContact O-N 3Å
77Y82.6Confident79.9Confident29 Ų2981.7 Ų81.711%0.11441%0.411CS..Hα-helixtrans-63.3-46.9175.2178.7-108.1000112.2K9 W11 Y12 V67 L68 T73 K74 R75 L79 Q80 L81K9-Y77 PolarHBondContact O-OH 3.38Å; W11-Y77 HydrophobicContact CB-CE1 4.33Å; W11-Y77 AromaticContact CD1-CD2 3.52Å; W11-Y77 AromaticContact CD1-CE1 3.66Å; W11-Y77 AromaticContact CD1-CE2 3.11Å; W11-Y77 AromaticContact CD1-CG 3.95Å; W11-Y77 AromaticContact CD1-CZ 3.16Å; W11-Y77 HydrophobicContact CG-CE1 4.36Å; W11-Y77 HydrophobicContact CG-CE2 4.23Å; W11-Y77 AromaticContact CG-CZ 3.96Å; W11-Y77 PolarHBondContact N-OH 3.26Å; W11-Y77 AromaticContact NE1-CD2 3.7Å; W11-Y77 AromaticContact NE1-CE2 3.32Å; W11-Y77 VanDerWaalsContact NE1-CE2 3.32Å; W11-Y77 AromaticContact NE1-CZ 3.84Å; Y12-Y77 HydrophobicContact CD2-CE1 4.22Å; Y12-Y77 HydrophobicContact CE2-CD1 4.13Å; Y12-Y77 AromaticContact CE2-CE1 3.83Å; Y12-Y77 HydrophobicContact CE2-CE1 3.83Å; V67-Y77 HydrophobicContact CG1-CD1 4.49Å; V67-Y77 HydrophobicContact CG1-CD2 4.24Å; V67-Y77 HydrophobicContact CG1-CG 3.88Å; L68-Y77 HydrophobicContact CD2-CD1 4.34Å; T73-Y77 WeakPolarHBondContact O-CB 3.44Å; T73-Y77 PolarHBondContact O-N 2.95Å; K74-Y77 PolarHBondContact O-N 2.87Å; R75-Y77 VanDerWaalsContact C-N 3.33Å; Y77-L79 VanDerWaalsContact C-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.36Å; Y77-Q80 PolarHBondContact O-N 3.33Å; Y77-L81 WeakPolarHBondContact O-CB 3.38Å; Y77-L81 PolarHBondContact O-N 2.95Å
78D82.6Confident78.3Confident57 Ų5785.6 Ų85.631%0.30543%0.427SS..Hα-helixtrans-62-38.2177.7-68.6-23.8000111.7Y12 K74 R75 R82Y12-D78 PolarHBondContact OH-OD1 2.64Å; Y12-D78 PolarHBondContact OH-OD2 2.92Å; K74-D78 VanDerWaalsContact O-CG 3.28Å; K74-D78 PolarHBondContact O-N 2.89Å; R75-D78 PolarHBondContact O-N 3.3Å; D78-R82 WeakPolarHBondContact O-CB 3.36Å; D78-R82 PolarHBondContact O-N 3.05Å
79L83.6Confident76.9Confident101 Ų10190 Ų9053%0.52946%0.458SS..Hα-helixtrans-65.6-43.8174.2-75.7170.5000111.7R75 A76 Y77 R82 A83R75-L79 HydrophobicContact CG-CD1 4.11Å; R75-L79 HydrophobicContact CG-CG 4.44Å; R75-L79 WeakPolarHBondContact O-CB 3.43Å; R75-L79 VanDerWaalsContact O-CG 3.24Å; R75-L79 WeakPolarHBondContact O-CG 3.22Å; R75-L79 PolarHBondContact O-N 2.89Å; A76-L79 PolarHBondContact O-N 2.95Å; Y77-L79 VanDerWaalsContact C-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.36Å; L79-R82 PolarHBondContact O-N 3.25Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 3.33Å
80Q82.1Confident75.7Confident127 Ų12796.8 Ų96.859%0.59348%0.478SS*.Hα-helixtrans-65.2-41.1177.8-176.2178.8-2.700111.7A76 Y77 A83 S84A76-Q80 WeakPolarHBondContact O-CB 3.25Å; A76-Q80 PolarHBondContact O-N 3Å; Y77-Q80 PolarHBondContact O-N 3.33Å; Q80-A83 PolarHBondContact O-N 2.96Å; Q80-S84 WeakPolarHBondContact O-CB 3.32Å; Q80-S84 PolarHBondContact O-N 3.45Å; Q80-S84 PolarHBondContact O-OG 3.34Å
81L79.6Confident74.7Confident42 Ų4298 Ų9822%0.2249%0.491CS..Hα-helixtrans-60.4-49.8175.4-175.365000110Y77 A83 S84 E85Y77-L81 WeakPolarHBondContact O-CB 3.38Å; Y77-L81 PolarHBondContact O-N 2.95Å; L81-A83 VanDerWaalsContact C-N 3.35Å; L81-A83 PolarHBondContact O-N 3.46Å; L81-S84 WeakPolarHBondContact O-CB 3.42Å; L81-S84 PolarHBondContact O-N 2.81Å; L81-E85 WeakPolarHBondContact O-CG 3.27Å; L81-E85 PolarHBondContact O-N 3.33Å
82R77.3Confident74.7Confident171 Ų17191.9 Ų91.965%0.64546%0.464SS*.Hα-helixtrans-62.3-39.8177.1-171.3177.2-177.1176.10.9112.8D78 L79 S84 E85 L86D78-R82 WeakPolarHBondContact O-CB 3.36Å; D78-R82 PolarHBondContact O-N 3.05Å; L79-R82 PolarHBondContact O-N 3.25Å; R82-S84 VanDerWaalsContact C-N 3.34Å; R82-E85 PolarHBondContact O-N 3.04Å; R82-L86 HydrophobicContact CG-CD1 4.39Å; R82-L86 WeakPolarHBondContact O-CG 3.47Å; R82-L86 PolarHBondContact O-N 3.02Å
83A77.9Confident74.6Confident47 Ų4788.5 Ų88.539%0.38845%0.451SS..Hα-helixtrans-64.5-40.6175.700000111.4L79 Q80 L81 E85 L86 N87L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 3.33Å; Q80-A83 PolarHBondContact O-N 2.96Å; L81-A83 VanDerWaalsContact C-N 3.35Å; L81-A83 PolarHBondContact O-N 3.46Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 3.08Å; A83-L86 PolarHBondContact O-N 3.18Å; A83-N87 PolarHBondContact O-N 3.49Å
84S68.8Low74.6Confident29 Ų2987.5 Ų87.520%0.20345%0.448CS..Hα-helixtrans-65-35.4176.3-55.40000111.8Q80 L81 R82 N87 Q88Q80-S84 WeakPolarHBondContact O-CB 3.32Å; Q80-S84 PolarHBondContact O-N 3.45Å; Q80-S84 PolarHBondContact O-OG 3.34Å; L81-S84 WeakPolarHBondContact O-CB 3.42Å; L81-S84 PolarHBondContact O-N 2.81Å; R82-S84 VanDerWaalsContact C-N 3.34Å; S84-N87 PolarHBondContact O-N 2.96Å; S84-Q88 WeakPolarHBondContact O-CG 3.39Å
85E66.6Low74.8Confident73 Ų7391.4 Ų91.434%0.34147%0.467SS..Hα-helixtrans-67.7-39.8173.2-71.5176.8166.300112.5R5 L81 R82 A83 N87 Q88R5-E85 VanDerWaalsContact CD-OE1 3.22Å; R5-E85 WeakPolarHBondContact CD-OE1 3.48Å; R5-E85 IonicContact CZ-OE1 3.75Å; R5-E85 IonicContact NE-OE1 2.62Å; R5-E85 IonicContact NH1-OE1 2.69Å; R5-E85 PolarHBondContact NH1-OE1 2.95Å; R5-E85 IonicContact NH1-OE2 3.57Å; R5-E85 PolarHBondContact NH1-OE2 2.92Å; L81-E85 WeakPolarHBondContact O-CG 3.27Å; L81-E85 PolarHBondContact O-N 3.33Å; R82-E85 PolarHBondContact O-N 3.04Å; A83-E85 VanDerWaalsContact C-N 3.3Å; A83-E85 PolarHBondContact O-N 3.08Å; E85-N87 VanDerWaalsContact C-N 3.31Å; E85-Q88 PolarHBondContact O-N 3.28Å
86L64.6Low75.1Confident125 Ų12583.3 Ų83.365%0.65444%0.437SS*.Hα-helixtrans-69.6-29.5176.5-70.2169.7000112.5R82 A83 Q88R82-L86 HydrophobicContact CG-CD1 4.39Å; R82-L86 WeakPolarHBondContact O-CG 3.47Å; R82-L86 PolarHBondContact O-N 3.02Å; A83-L86 PolarHBondContact O-N 3.18Å; L86-Q88 PolarHBondContact O-N 3.48Å
87N63.5Low75.3Confident123 Ų12383.5 Ų83.566%0.65843%0.434SS*.THydrogen-bonded Turntrans-74.7-7.9176-86-0.5000113.9A83 S84 E85A83-N87 PolarHBondContact O-N 3.49Å; S84-N87 PolarHBondContact O-N 2.96Å; E85-N87 VanDerWaalsContact C-N 3.31Å
88Q54.5Low75.5Confident118 Ų11883.2 Ų83.255%0.55144%0.435SS*.THydrogen-bonded Turntrans-86.61.3-170.8-87.8-174.439.100116.7S84 E85 L86S84-Q88 WeakPolarHBondContact O-CG 3.39Å; E85-Q88 PolarHBondContact O-N 3.28Å; L86-Q88 PolarHBondContact O-N 3.48Å
89S55.4Low75.7Confident92 Ų9286.5 Ų86.564%0.64345%0.452SS*.  trans-172.3108.8162.6540000109.1P91S89-P91 WeakPolarHBondContact O-CD 3.49Å
90W60.5Low75.9Confident180 Ų18087.2 Ų87.268%0.68246%0.456SS*.  trans-66.2122.6158.7-75.682.1000106.9V92W90-V92 PolarHBondContact O-N 3Å
91P65.8Low76.2Confident110 Ų11081.9 Ų81.971%0.71443%0.431SS*.  trans-69.2100.4175.927.5-31000108S89 S142S89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-S142 PolarHBondContact O-OG 3.37Å
92V81.6Confident76.7Confident36 Ų3684.5 Ų84.522%0.21845%0.45CS..  trans-82.8135.2172.3-62.90000109.1W90 A94 I133 S142 E144W90-V92 PolarHBondContact O-N 3Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-I133 HydrophobicContact CG1-CD1 3.73Å; V92-S142 CarbonylContact C-O 3.5Å; V92-S142 WeakPolarHBondContact CA-O 3.41Å; V92-E144 HydrophobicContact CB-CB 4.33Å; V92-E144 HydrophobicContact CG1-CB 4.12Å; V92-E144 HydrophobicContact CG2-CB 4.21Å
93D84.1Confident77.4Confident77 Ų7780.5 Ų80.541%0.41244%0.435SS..SBendtrans-71-33.3-179.5-172.2-106.9000111.3L141 S142D93-L141 HydrophobicContact CB-CB 4.4Å; D93-L141 HydrophobicContact CB-CD2 4.04Å; D93-L141 WeakPolarHBondContact OD2-CD2 3.48Å; D93-S142 PolarHBondContact N-O 3.19Å
94A84Confident78Confident30 Ų3081.1 Ų81.125%0.24843%0.431CS..EExtended strand (participates in β ladder)trans-155.2159.8178.400000111.4V92 V96 I143 E144V92-A94 VanDerWaalsContact C-N 3.33Å; A94-V96 HydrophobicContact CB-CG2 4.43Å; A94-I143 HydrophobicContact CB-CG2 4.07Å; A94-I143 WeakPolarHBondContact O-CA 2.86Å; A94-E144 PolarHBondContact O-N 2.8Å
95H88.3Confident78.7Confident122 Ų12286.1 Ų86.157%0.56546%0.456SS*.EExtended strand (participates in β ladder)trans-105.6125.6165.8-57.6-92.7000107.8E144H95-E144 CarbonylContact C-O 3.52Å; H95-E144 WeakPolarHBondContact CA-O 3.27Å; H95-E144 IonicContact CE1-OE2 2.66Å; H95-E144 PolarHBondContact CE1-OE2 3.21Å; H95-E144 IonicContact CG-OE2 3.23Å; H95-E144 IonicContact ND1-OE2 2.64Å; H95-E144 PolarHBondContact ND1-OE2 2.84Å
96V89.3Confident79.6Confident6 Ų689.5 Ų89.54%0.03648%0.476CS..EExtended strand (participates in β ladder)trans-122.7134.5-175.7-179.30000108.2A94 D100 M101 Y112 I143 E144 V145 K146A94-V96 HydrophobicContact CB-CG2 4.43Å; V96-D100 HydrophobicContact CG1-CB 4.24Å; V96-M101 HydrophobicContact CG1-CG 4.07Å; V96-Y112 HydrophobicContact CG1-CD1 4.49Å; V96-Y112 HydrophobicContact CG1-CD2 3.76Å; V96-Y112 HydrophobicContact CG1-CE1 4.46Å; V96-Y112 HydrophobicContact CG1-CE2 3.71Å; V96-Y112 HydrophobicContact CG1-CG 4.16Å; V96-Y112 HydrophobicContact CG2-CD1 4.17Å; V96-Y112 HydrophobicContact CG2-CE1 3.79Å; V96-Y112 HydrophobicContact CG2-CE2 4.4Å; V96-I143 HydrophobicContact CB-CD1 4.2Å; V96-I143 HydrophobicContact CG2-CB 4.34Å; V96-I143 HydrophobicContact CG2-CD1 3.84Å; V96-I143 HydrophobicContact CG2-CG2 4.5Å; V96-E144 PolarHBondContact N-O 3.05Å; V96-V145 CarbonylContact O-C 3.54Å; V96-V145 VanDerWaalsContact O-CA 3.24Å; V96-V145 WeakPolarHBondContact O-CA 3.49Å; V96-K146 PolarHBondContact O-N 3.37Å
97C88.2Confident80.5Confident59 Ų5988.5 Ų88.540%0.39947%0.472SS..EExtended strand (participates in β ladder)trans-80.5144172.3-63.10000109.3D99 D100C97-D99 PolarHBondContact O-N 3.44Å; C97-D100 WeakPolarHBondContact O-CB 3.33Å; C97-D100 PolarHBondContact O-N 3.15Å
98L87.5Confident81.6Confident23 Ų2388.7 Ų88.712%0.1247%0.469CS..G310 helixtrans-56.9-34.6177.2-168.471.5000111.9D100 M101 Y110 I122 A127 V145 K146 T147L98-D100 PolarHBondContact O-N 2.76Å; L98-M101 HydrophobicContact CD1-SD 3.97Å; L98-M101 WeakPolarHBondContact O-CB 3.42Å; L98-M101 PolarHBondContact O-N 2.95Å; L98-Y110 HydrophobicContact CD1-CD1 4.02Å; L98-Y110 HydrophobicContact CD1-CD2 3.79Å; L98-Y110 HydrophobicContact CD1-CE1 4.34Å; L98-Y110 HydrophobicContact CD1-CE2 4.11Å; L98-Y110 HydrophobicContact CD1-CG 3.73Å; L98-Y110 HydrophobicContact CD2-CE1 4.34Å; L98-Y110 HydrophobicContact CD2-CE2 4.08Å; L98-Y110 HydrophobicContact CG-CD1 4.24Å; L98-Y110 HydrophobicContact CG-CE1 4.14Å; L98-Y110 HydrophobicContact CG-CE2 4.4Å; L98-Y110 HydrophobicContact CG-CG 4.42Å; L98-I122 HydrophobicContact CD1-CG2 4.4Å; L98-A127 HydrophobicContact CD1-CB 3.71Å; L98-A127 HydrophobicContact CD2-CB 3.93Å; L98-V145 HydrophobicContact CB-CG1 4.2Å; L98-V145 HydrophobicContact CD1-CG1 3.86Å; L98-K146 PolarHBondContact N-O 2.92Å; L98-T147 HydrophobicContact CB-CG2 4.13Å; L98-T147 HydrophobicContact CD2-CG2 3.66Å; L98-T147 HydrophobicContact CG-CG2 4.46Å
99D86.2Confident83.4Confident125 Ų12584.9 Ų84.967%0.66845%0.453SS*.G310 helixtrans-61.1-23.6175.4-63.2-81.1000114.3C97 M101 T148C97-D99 PolarHBondContact O-N 3.44Å; D99-M101 VanDerWaalsContact C-N 3.34Å; D99-T148 PolarHBondContact OD2-OG1 2.81Å
100D88.4Confident85.2Confident116 Ų11683.1 Ų83.162%0.6243%0.433SS*.G310 helixtrans-85.7-8.7177.4-101.942.7000112.1V96 C97 L98V96-D100 HydrophobicContact CG1-CB 4.24Å; C97-D100 WeakPolarHBondContact O-CB 3.33Å; C97-D100 PolarHBondContact O-N 3.15Å; L98-D100 PolarHBondContact O-N 2.76Å
101M88.4Confident86.7Confident15 Ų1576 Ų767%0.07441%0.409CS..SBendtrans-86.2152.8177.9-56.3-170.9102.200111.6V96 L98 D99 Y110 Y112 F120 I122 I143 V145V96-M101 HydrophobicContact CG1-CG 4.07Å; L98-M101 HydrophobicContact CD1-SD 3.97Å; L98-M101 WeakPolarHBondContact O-CB 3.42Å; L98-M101 PolarHBondContact O-N 2.95Å; D99-M101 VanDerWaalsContact C-N 3.34Å; M101-Y110 HydrophobicContact CB-CD1 4.28Å; M101-Y112 HydrophobicContact CE-CG 4.43Å; M101-Y112 HydrophobicContact CG-CD2 4.38Å; M101-F120 HydrophobicContact CE-CB 4.45Å; M101-I122 HydrophobicContact CE-CG2 4.05Å; M101-I122 HydrophobicContact SD-CG2 3.79Å; M101-I143 HydrophobicContact CE-CD1 4.21Å; M101-V145 HydrophobicContact CE-CG2 3.93Å; M101-V145 HydrophobicContact SD-CG1 3.78Å; M101-V145 HydrophobicContact SD-CG2 3.87Å
102T90.8Very high87.9Confident98 Ų9874.6 Ų74.660%0.60139%0.39SS*.EExtended strand (participates in β ladder)trans-93.6120.4177.7-58.10000110Y110 T111T102-Y110 CarbonylContact O-C 3.6Å; T102-T111 PolarHBondContact N-O 2.64Å; T102-T111 PolarHBondContact O-N 2.66Å; T102-T111 PolarHBondContact O-OG1 2.72Å
103W91.2Very high88.4Confident87 Ų8775.6 Ų75.633%0.3341%0.408SS..EExtended strand (participates in β ladder)trans-76.9128.5175.3177.1-101.7000111.6E108 Y110 R124W103-E108 VanDerWaalsContact CH2-CA 3.47Å; W103-E108 HydrophobicContact CH2-CB 3.93Å; W103-E108 VanDerWaalsContact CH2-O 3.27Å; W103-E108 WeakPolarHBondContact CH2-O 3.45Å; W103-E108 HydrophobicContact CZ2-CB 4.1Å; W103-E108 HydrophobicContact CZ2-CG 4.45Å; W103-Y110 HydrophobicContact CB-CD1 4.23Å; W103-Y110 HydrophobicContact CB-CE1 4.19Å; W103-Y110 HydrophobicContact CD2-CE1 4.33Å; W103-Y110 AromaticContact CE3-CD1 3.78Å; W103-Y110 HydrophobicContact CE3-CD1 3.78Å; W103-Y110 AromaticContact CE3-CD2 3.64Å; W103-Y110 HydrophobicContact CE3-CD2 3.64Å; W103-Y110 AromaticContact CE3-CE1 3.6Å; W103-Y110 HydrophobicContact CE3-CE1 3.6Å; W103-Y110 AromaticContact CE3-CE2 3.48Å; W103-Y110 HydrophobicContact CE3-CE2 3.48Å; W103-Y110 VanDerWaalsContact CE3-CE2 3.48Å; W103-Y110 AromaticContact CE3-CG 3.79Å; W103-Y110 HydrophobicContact CE3-CG 3.79Å; W103-Y110 AromaticContact CE3-CZ 3.44Å; W103-Y110 VanDerWaalsContact CE3-CZ 3.44Å; W103-Y110 AromaticContact CZ3-CD2 3.68Å; W103-Y110 HydrophobicContact CZ3-CD2 3.68Å; W103-Y110 HydrophobicContact CZ3-CE1 4.39Å; W103-Y110 AromaticContact CZ3-CE2 3.42Å; W103-Y110 HydrophobicContact CZ3-CE2 3.42Å; W103-Y110 VanDerWaalsContact CZ3-CE2 3.42Å; W103-Y110 HydrophobicContact CZ3-CG 4.28Å; W103-Y110 AromaticContact CZ3-CZ 3.8Å; W103-R124 HydrophobicContact CH2-CB 3.83Å; W103-R124 HydrophobicContact CH2-CG 4.39Å; W103-R124 HydrophobicContact CZ3-CB 3.98Å
104D89.6Confident88.7Confident60 Ų6072.5 Ų72.532%0.32139%0.392SS..EExtended strand (participates in β ladder)trans-103.3114.1171.1-170.4-92.6000110.1D106 N107 E108 V109D104-D106 PolarHBondContact OD1-N 3.45Å; D104-N107 WeakPolarHBondContact OD1-CB 3.24Å; D104-N107 PolarHBondContact OD1-N 3.38Å; D104-N107 PolarHBondContact OD1-ND2 3.46Å; D104-E108 WeakPolarHBondContact O-CA 3.48Å; D104-E108 PolarHBondContact O-N 2.96Å; D104-V109 HydrophobicContact CB-CG2 4.17Å; D104-V109 PolarHBondContact N-O 2.92Å; D104-V109 PolarHBondContact O-N 2.88Å
105D84.6Confident88.9Confident134 Ų13481.8 Ų81.872%0.71742%0.421SS*.THydrogen-bonded Turntrans-75.8-25.7-175.9-166.8-112.8000113.1
106D85.5Confident88.9Confident143 Ų14379.1 Ų79.177%0.76542%0.415SS*.THydrogen-bonded Turntrans-74.1-34.4-179.1-172.6-106.9000111.5D104D104-D106 PolarHBondContact OD1-N 3.45Å
107N83.6Confident88.9Confident105 Ų10582.4 Ų82.456%0.56145%0.45SS*.THydrogen-bonded Turntrans-109.9-3-176.7-62.9-87.5000113.6D104 V109D104-N107 WeakPolarHBondContact OD1-CB 3.24Å; D104-N107 PolarHBondContact OD1-N 3.38Å; D104-N107 PolarHBondContact OD1-ND2 3.46Å; N107-V109 VanDerWaalsContact C-N 3.31Å; N107-V109 HydrophobicContact CB-CG2 3.82Å; N107-V109 PolarHBondContact O-N 2.83Å
108E87.2Confident89.1Confident127 Ų12780 Ų8059%0.59344%0.436SS*.THydrogen-bonded Turntrans54.540.9-178.7-59-175.890.300113.8W103 D104 R124W103-E108 VanDerWaalsContact CH2-CA 3.47Å; W103-E108 HydrophobicContact CH2-CB 3.93Å; W103-E108 VanDerWaalsContact CH2-O 3.27Å; W103-E108 WeakPolarHBondContact CH2-O 3.45Å; W103-E108 HydrophobicContact CZ2-CB 4.1Å; W103-E108 HydrophobicContact CZ2-CG 4.45Å; D104-E108 WeakPolarHBondContact O-CA 3.48Å; D104-E108 PolarHBondContact O-N 2.96Å; E108-R124 PolarHBondContact O-N 3.47Å
109V92.2Very high89.3Confident37 Ų3783.5 Ų83.522%0.22445%0.451CS..EExtended strand (participates in β ladder)trans-130.1148.9-177-67.10000112.4D104 N107 T111 I122D104-V109 HydrophobicContact CB-CG2 4.17Å; D104-V109 PolarHBondContact N-O 2.92Å; D104-V109 PolarHBondContact O-N 2.88Å; N107-V109 VanDerWaalsContact C-N 3.31Å; N107-V109 HydrophobicContact CB-CG2 3.82Å; N107-V109 PolarHBondContact O-N 2.83Å; V109-T111 HydrophobicContact CG2-CG2 4.21Å; V109-I122 CarbonylContact C-O 3.58Å; V109-I122 WeakPolarHBondContact CA-O 3.37Å
110Y91.4Very high89.7Confident55 Ų5577.7 Ų77.722%0.21642%0.42CS..EExtended strand (participates in β ladder)trans-89.2134.8166.3-62.8-89.2000110.1L98 M101 T102 W103 S121 I122 A127L98-Y110 HydrophobicContact CD1-CD1 4.02Å; L98-Y110 HydrophobicContact CD1-CD2 3.79Å; L98-Y110 HydrophobicContact CD1-CE1 4.34Å; L98-Y110 HydrophobicContact CD1-CE2 4.11Å; L98-Y110 HydrophobicContact CD1-CG 3.73Å; L98-Y110 HydrophobicContact CD2-CE1 4.34Å; L98-Y110 HydrophobicContact CD2-CE2 4.08Å; L98-Y110 HydrophobicContact CG-CD1 4.24Å; L98-Y110 HydrophobicContact CG-CE1 4.14Å; L98-Y110 HydrophobicContact CG-CE2 4.4Å; L98-Y110 HydrophobicContact CG-CG 4.42Å; M101-Y110 HydrophobicContact CB-CD1 4.28Å; T102-Y110 CarbonylContact O-C 3.6Å; W103-Y110 HydrophobicContact CB-CD1 4.23Å; W103-Y110 HydrophobicContact CB-CE1 4.19Å; W103-Y110 HydrophobicContact CD2-CE1 4.33Å; W103-Y110 AromaticContact CE3-CD1 3.78Å; W103-Y110 HydrophobicContact CE3-CD1 3.78Å; W103-Y110 AromaticContact CE3-CD2 3.64Å; W103-Y110 HydrophobicContact CE3-CD2 3.64Å; W103-Y110 AromaticContact CE3-CE1 3.6Å; W103-Y110 HydrophobicContact CE3-CE1 3.6Å; W103-Y110 AromaticContact CE3-CE2 3.48Å; W103-Y110 HydrophobicContact CE3-CE2 3.48Å; W103-Y110 VanDerWaalsContact CE3-CE2 3.48Å; W103-Y110 AromaticContact CE3-CG 3.79Å; W103-Y110 HydrophobicContact CE3-CG 3.79Å; W103-Y110 AromaticContact CE3-CZ 3.44Å; W103-Y110 VanDerWaalsContact CE3-CZ 3.44Å; W103-Y110 AromaticContact CZ3-CD2 3.68Å; W103-Y110 HydrophobicContact CZ3-CD2 3.68Å; W103-Y110 HydrophobicContact CZ3-CE1 4.39Å; W103-Y110 AromaticContact CZ3-CE2 3.42Å; W103-Y110 HydrophobicContact CZ3-CE2 3.42Å; W103-Y110 VanDerWaalsContact CZ3-CE2 3.42Å; W103-Y110 HydrophobicContact CZ3-CG 4.28Å; W103-Y110 AromaticContact CZ3-CZ 3.8Å; Y110-S121 CarbonylContact O-C 3.47Å; Y110-S121 VanDerWaalsContact O-CA 3.28Å; Y110-S121 WeakPolarHBondContact O-CA 3.45Å; Y110-I122 HydrophobicContact CD2-CG2 4.44Å; Y110-I122 PolarHBondContact N-O 2.84Å; Y110-I122 PolarHBondContact O-N 3.12Å; Y110-A127 HydrophobicContact CD2-CB 3.88Å; Y110-A127 HydrophobicContact CE2-CB 3.88Å
111T92.5Very high89.8Confident31 Ų3174.9 Ų74.919%0.1941%0.409CS..EExtended strand (participates in β ladder)trans-121.3143.3-177.760.40000111.5T102 V109 F120T102-T111 PolarHBondContact N-O 2.64Å; T102-T111 PolarHBondContact O-N 2.66Å; T102-T111 PolarHBondContact O-OG1 2.72Å; V109-T111 HydrophobicContact CG2-CG2 4.21Å; T111-F120 CarbonylContact C-O 3.59Å; T111-F120 VanDerWaalsContact CA-O 3.28Å; T111-F120 WeakPolarHBondContact CA-O 3.09Å
112Y91.4Very high90Very high80 Ų8074.6 Ų74.631%0.31441%0.408SS..EExtended strand (participates in β ladder)trans-140.6136.2175.2-171.3-98000111.2V96 M101 E119 F120 I143V96-Y112 HydrophobicContact CG1-CD1 4.49Å; V96-Y112 HydrophobicContact CG1-CD2 3.76Å; V96-Y112 HydrophobicContact CG1-CE1 4.46Å; V96-Y112 HydrophobicContact CG1-CE2 3.71Å; V96-Y112 HydrophobicContact CG1-CG 4.16Å; V96-Y112 HydrophobicContact CG2-CD1 4.17Å; V96-Y112 HydrophobicContact CG2-CE1 3.79Å; V96-Y112 HydrophobicContact CG2-CE2 4.4Å; M101-Y112 HydrophobicContact CE-CG 4.43Å; M101-Y112 HydrophobicContact CG-CD2 4.38Å; Y112-E119 CarbonylContact O-C 3.52Å; Y112-E119 WeakPolarHBondContact O-CA 3.47Å; Y112-F120 AromaticContact CD1-CD2 3.98Å; Y112-F120 HydrophobicContact CD1-CD2 3.98Å; Y112-F120 HydrophobicContact CD1-CE2 4.47Å; Y112-F120 PolarHBondContact N-O 2.79Å; Y112-F120 WeakPolarHBondContact O-CD2 3.35Å; Y112-F120 PolarHBondContact O-N 2.71Å; Y112-I143 HydrophobicContact CD1-CD1 4.07Å
113G91.4Very high89.9Confident57 Ų5770.7 Ų70.759%0.58839%0.388SS*.EExtended strand (participates in β ladder)trans-74.1129.9-175.200000113.1
114C91.8Very high89.6Confident13 Ų1373.3 Ų73.39%0.08840%0.398CS..  trans-88.6149.4172.2-171.20000111.7C116 G117 G118 F120 C136 C139C114-C116 PolarHBondContact O-N 2.91Å; C114-C116 VanDerWaalsContact O-N 3.15Å; C114-C116 PolarHBondContact SG-SG 2.78Å; C114-G117 PolarHBondContact O-N 3.2Å; C114-G118 VanDerWaalsContact CB-O 3.28Å; C114-G118 WeakPolarHBondContact CB-O 3.28Å; C114-G118 PolarHBondContact N-O 3.17Å; C114-F120 HydrophobicContact CB-CD2 4Å; C114-F120 HydrophobicContact CB-CE2 3.43Å; C114-F120 VanDerWaalsContact CB-CE2 3.43Å; C114-F120 HydrophobicContact CB-CZ 3.96Å; C114-C136 HydrophobicContact CB-CB 4.36Å; C114-C136 VanDerWaalsContact CB-SG 3.57Å; C114-C136 VanDerWaalsContact SG-SG 3.67Å; C114-C139 VanDerWaalsContact SG-SG 3.7Å
115R87.3Confident89.3Confident225 Ų22578 Ų7885%0.84942%0.418SS*.THydrogen-bonded Turntrans-64.7-17.7178.1-62.5-179.4-178.4178.83.9113.8G117R115-G117 VanDerWaalsContact C-N 3.29Å
116C89.3Confident89.2Confident65 Ų6576.5 Ų76.544%0.43941%0.41SS..THydrogen-bonded Turntrans-79.7-11.4174.470.70000113.3C114 G118 C136 C139C114-C116 PolarHBondContact O-N 2.91Å; C114-C116 VanDerWaalsContact O-N 3.15Å; C114-C116 PolarHBondContact SG-SG 2.78Å; C116-G118 PolarHBondContact SG-N 2.97Å; C116-G118 VanDerWaalsContact SG-N 3.37Å; C116-C136 VanDerWaalsContact SG-SG 3.65Å; C116-C139 HydrophobicContact CB-CB 4.26Å
117G88.7Confident88.9Confident75 Ų7570 Ų7077%0.77338%0.375SS*.SBendtrans96.4-3-173.900000115.2C114 R115C114-G117 PolarHBondContact O-N 3.2Å; R115-G117 VanDerWaalsContact C-N 3.29Å
118G91.7Very high88.3Confident10 Ų1071.9 Ų71.910%0.10338%0.381CS..  trans-84.1-169166.500000112.6C114 C116 D137C114-G118 VanDerWaalsContact CB-O 3.28Å; C114-G118 WeakPolarHBondContact CB-O 3.28Å; C114-G118 PolarHBondContact N-O 3.17Å; C116-G118 PolarHBondContact SG-N 2.97Å; C116-G118 VanDerWaalsContact SG-N 3.37Å; G118-D137 WeakPolarHBondContact CA-OD1 3.35Å
119E93.1Very high87.5Confident95 Ų9567.5 Ų67.544%0.44437%0.369SS..EExtended strand (participates in β ladder)trans-131.9155.6-177.660.6-175.493.800112.5Y112 S121 C136 D137Y112-E119 CarbonylContact O-C 3.52Å; Y112-E119 WeakPolarHBondContact O-CA 3.47Å; E119-S121 PolarHBondContact OE2-OG 2.85Å; E119-C136 WeakPolarHBondContact O-CA 3.28Å; E119-D137 PolarHBondContact N-OD1 2.8Å; E119-D137 PolarHBondContact O-N 2.97Å; E119-D137 VanDerWaalsContact O-N 3.17Å; E119-D137 VanDerWaalsContact O-OD1 3.05Å
120F92.8Very high86.4Confident4 Ų473.5 Ų73.52%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-107122.1167.8-59.8-83.9000107.2M101 T111 Y112 C114 V134 C135 C136 L141 I143M101-F120 HydrophobicContact CE-CB 4.45Å; T111-F120 CarbonylContact C-O 3.59Å; T111-F120 VanDerWaalsContact CA-O 3.28Å; T111-F120 WeakPolarHBondContact CA-O 3.09Å; Y112-F120 AromaticContact CD1-CD2 3.98Å; Y112-F120 HydrophobicContact CD1-CD2 3.98Å; Y112-F120 HydrophobicContact CD1-CE2 4.47Å; Y112-F120 PolarHBondContact N-O 2.79Å; Y112-F120 WeakPolarHBondContact O-CD2 3.35Å; Y112-F120 PolarHBondContact O-N 2.71Å; C114-F120 HydrophobicContact CB-CD2 4Å; C114-F120 HydrophobicContact CB-CE2 3.43Å; C114-F120 VanDerWaalsContact CB-CE2 3.43Å; C114-F120 HydrophobicContact CB-CZ 3.96Å; F120-V134 HydrophobicContact CB-CB 4.44Å; F120-V134 HydrophobicContact CB-CG1 3.79Å; F120-V134 HydrophobicContact CD1-CG1 4.34Å; F120-V134 WeakPolarHBondContact CD1-O 3.32Å; F120-C135 VanDerWaalsContact CD1-C 3.5Å; F120-C136 HydrophobicContact CD1-CB 3.93Å; F120-C136 VanDerWaalsContact CD1-N 3.35Å; F120-C136 HydrophobicContact CE1-CB 3.49Å; F120-C136 VanDerWaalsContact CE1-CB 3.49Å; F120-C136 VanDerWaalsContact CE1-N 3.31Å; F120-C136 HydrophobicContact CZ-CB 3.84Å; F120-L141 HydrophobicContact CE1-CB 4.44Å; F120-L141 WeakPolarHBondContact CE1-O 3.35Å; F120-L141 HydrophobicContact CZ-CB 4.1Å; F120-I143 HydrophobicContact CB-CD1 3.74Å; F120-I143 HydrophobicContact CB-CG1 4.26Å; F120-I143 HydrophobicContact CD1-CD1 4.05Å; F120-I143 HydrophobicContact CD1-CG1 3.74Å; F120-I143 HydrophobicContact CD1-CG2 4.4Å; F120-I143 HydrophobicContact CD2-CD1 3.79Å; F120-I143 HydrophobicContact CD2-CG1 4.29Å; F120-I143 HydrophobicContact CD2-CG2 4.38Å; F120-I143 HydrophobicContact CE1-CB 4.45Å; F120-I143 HydrophobicContact CE1-CG1 4.06Å; F120-I143 HydrophobicContact CE1-CG2 3.9Å; F120-I143 HydrophobicContact CE2-CD1 4.35Å; F120-I143 HydrophobicContact CE2-CG2 3.86Å; F120-I143 HydrophobicContact CG-CD1 3.61Å; F120-I143 HydrophobicContact CG-CG1 3.86Å; F120-I143 HydrophobicContact CZ-CG1 4.47Å; F120-I143 HydrophobicContact CZ-CG2 3.61Å
121S92.1Very high85.8Confident56 Ų5677 Ų7739%0.39241%0.413SS..EExtended strand (participates in β ladder)trans-122.1128.9-175.6-35.40000109.7Y110 E119 V134Y110-S121 CarbonylContact O-C 3.47Å; Y110-S121 VanDerWaalsContact O-CA 3.28Å; Y110-S121 WeakPolarHBondContact O-CA 3.45Å; E119-S121 PolarHBondContact OE2-OG 2.85Å; S121-V134 WeakPolarHBondContact O-CG1 3.24Å
122I91.1Very high85.5Confident9 Ų976.4 Ų76.45%0.04641%0.412CS..EExtended strand (participates in β ladder)trans-131.1129.4178.5-175.4174.4000110L98 M101 V109 Y110 D126 A127 A132 V134L98-I122 HydrophobicContact CD1-CG2 4.4Å; M101-I122 HydrophobicContact CE-CG2 4.05Å; M101-I122 HydrophobicContact SD-CG2 3.79Å; V109-I122 CarbonylContact C-O 3.58Å; V109-I122 WeakPolarHBondContact CA-O 3.37Å; Y110-I122 HydrophobicContact CD2-CG2 4.44Å; Y110-I122 PolarHBondContact N-O 2.84Å; Y110-I122 PolarHBondContact O-N 3.12Å; I122-D126 HydrophobicContact CD1-CB 4.17Å; I122-D126 HydrophobicContact CG1-CB 3.77Å; I122-A127 HydrophobicContact CD1-CB 4.05Å; I122-A127 HydrophobicContact CG1-CB 4.21Å; I122-A132 HydrophobicContact CD1-CB 3.52Å; I122-V134 HydrophobicContact CB-CG2 3.87Å; I122-V134 HydrophobicContact CD1-CG2 3.93Å; I122-V134 HydrophobicContact CG1-CG2 4.26Å; I122-V134 HydrophobicContact CG2-CG2 4.47Å
123G89.9Confident85.4Confident17 Ų1776.3 Ų76.318%0.17542%0.416CS..EExtended strand (participates in β ladder)trans-68.9155.7176.900000111.9E125 D126 A127G123-E125 VanDerWaalsContact C-N 3.28Å; G123-E125 PolarHBondContact O-N 2.98Å; G123-D126 PolarHBondContact O-N 2.78Å; G123-A127 WeakPolarHBondContact O-CB 3.28Å; G123-A127 PolarHBondContact O-N 2.93Å
124R85.4Confident85.4Confident142 Ų14274.1 Ų74.154%0.53639%0.391SS..Hα-helixtrans-53.8-43.6177.4-179.3177.9172.7175.11.7113.3W103 E108 D126 A127 E128W103-R124 HydrophobicContact CH2-CB 3.83Å; W103-R124 HydrophobicContact CH2-CG 4.39Å; W103-R124 HydrophobicContact CZ3-CB 3.98Å; E108-R124 PolarHBondContact O-N 3.47Å; R124-D126 PolarHBondContact O-N 2.89Å; R124-A127 PolarHBondContact O-N 3.48Å; R124-E128 WeakPolarHBondContact O-CG 3.45Å; R124-E128 PolarHBondContact O-N 3.46Å
125E82.5Confident85.3Confident159 Ų15977.6 Ų77.674%0.74342%0.415SS*.Hα-helixtrans-64.8-37.7-178.761.3-172.382.400112.8G123G123-E125 VanDerWaalsContact C-N 3.28Å; G123-E125 PolarHBondContact O-N 2.98Å
126D82.6Confident85.6Confident102 Ų10267.3 Ų67.355%0.54538%0.377SS..Hα-helixtrans-76.7-29.8177.2-64.9-63.2000111.9I122 G123 R124 E128 G129I122-D126 HydrophobicContact CD1-CB 4.17Å; I122-D126 HydrophobicContact CG1-CB 3.77Å; G123-D126 PolarHBondContact O-N 2.78Å; R124-D126 PolarHBondContact O-N 2.89Å; D126-E128 VanDerWaalsContact C-N 3.28Å; D126-E128 PolarHBondContact O-N 2.8Å; D126-G129 PolarHBondContact O-N 3.29Å
127A78.8Confident85.7Confident5 Ų569.2 Ų69.24%0.04138%0.383CS..Hα-helixtrans-72-19.2175.800000112.8L98 Y110 I122 G123 R124 G129 T147L98-A127 HydrophobicContact CD1-CB 3.71Å; L98-A127 HydrophobicContact CD2-CB 3.93Å; Y110-A127 HydrophobicContact CD2-CB 3.88Å; Y110-A127 HydrophobicContact CE2-CB 3.88Å; I122-A127 HydrophobicContact CD1-CB 4.05Å; I122-A127 HydrophobicContact CG1-CB 4.21Å; G123-A127 WeakPolarHBondContact O-CB 3.28Å; G123-A127 PolarHBondContact O-N 2.93Å; R124-A127 PolarHBondContact O-N 3.48Å; A127-G129 PolarHBondContact O-N 3.26Å; A127-T147 WeakPolarHBondContact O-CG2 3.42Å
128E72.1Confident85.8Confident146 Ų14669.9 Ų69.968%0.68237%0.372SS*.THydrogen-bonded Turntrans-72.7-4.1175.8-74.4176.692.600113.6R124 D126R124-E128 WeakPolarHBondContact O-CG 3.45Å; R124-E128 PolarHBondContact O-N 3.46Å; D126-E128 VanDerWaalsContact C-N 3.28Å; D126-E128 PolarHBondContact O-N 2.8Å
129G70.4Confident85.7Confident34 Ų3471.5 Ų71.535%0.35138%0.381SS..SBendtrans-75.6156.1171.800000113.8D126 A127 E131 T147D126-G129 PolarHBondContact O-N 3.29Å; A127-G129 PolarHBondContact O-N 3.26Å; G129-E131 VanDerWaalsContact C-N 3.33Å; G129-E131 PolarHBondContact O-N 2.82Å; G129-T147 PolarHBondContact O-OG1 2.97Å
130E68Low85.5Confident164 Ų16472.8 Ų72.877%0.76640%0.401SS*.SBendtrans-64.5-34.4176.3-84.7166.577.400112.4
131E79.6Confident85.4Confident127 Ų12775 Ų7559%0.59341%0.413SS*.EExtended strand (participates in β ladder)trans-149.7120.9-179.7-60-175.9115.400110.7G129 K146G129-E131 VanDerWaalsContact C-N 3.33Å; G129-E131 PolarHBondContact O-N 2.82Å; E131-K146 IonicContact OE1-NZ 3.8Å; E131-K146 PolarHBondContact OE1-NZ 3.32Å
132A86.1Confident85.3Confident19 Ų1972.9 Ų72.916%0.15740%0.398CS..EExtended strand (participates in β ladder)trans-123.2138.4179.400000111.5I122 E144 V145I122-A132 HydrophobicContact CD1-CB 3.52Å; A132-E144 CarbonylContact O-C 3.59Å; A132-E144 WeakPolarHBondContact O-CA 3.36Å; A132-V145 PolarHBondContact N-O 3.49Å; A132-V145 PolarHBondContact O-N 3.23Å
133I88.7Confident85.3Confident79 Ų7972.6 Ų72.641%0.40540%0.396SS..EExtended strand (participates in β ladder)trans-100.9120.5175.4-54.8-59.8000109.3V92 I143 E144V92-I133 HydrophobicContact CG1-CD1 3.73Å; I133-I143 WeakPolarHBondContact CA-O 3.35Å; I133-E144 HydrophobicContact CD1-CB 3.86Å; I133-E144 HydrophobicContact CD1-CG 3.88Å
134V90.6Very high85.4Confident10 Ų1073.2 Ų73.26%0.06140%0.395CS..EExtended strand (participates in β ladder)trans-115.5128.9-177-170.90000110F120 S121 I122 S142 I143 V145F120-V134 HydrophobicContact CB-CB 4.44Å; F120-V134 HydrophobicContact CB-CG1 3.79Å; F120-V134 HydrophobicContact CD1-CG1 4.34Å; F120-V134 WeakPolarHBondContact CD1-O 3.32Å; S121-V134 WeakPolarHBondContact O-CG1 3.24Å; I122-V134 HydrophobicContact CB-CG2 3.87Å; I122-V134 HydrophobicContact CD1-CG2 3.93Å; I122-V134 HydrophobicContact CG1-CG2 4.26Å; I122-V134 HydrophobicContact CG2-CG2 4.47Å; V134-S142 CarbonylContact O-C 3.55Å; V134-S142 VanDerWaalsContact O-CA 3.24Å; V134-S142 WeakPolarHBondContact O-CA 3.41Å; V134-I143 HydrophobicContact CB-CG1 4.12Å; V134-I143 PolarHBondContact N-O 2.95Å; V134-I143 PolarHBondContact O-N 3.49Å; V134-V145 HydrophobicContact CB-CG2 4.47Å; V134-V145 HydrophobicContact CG2-CG2 3.7Å
135C90.1Very high85.6Confident87 Ų8766.6 Ų66.659%0.58837%0.37SS*.EExtended strand (participates in β ladder)trans-93.6145.7177.4-61.20000110.8F120F120-C135 VanDerWaalsContact CD1-C 3.5Å
136C93.2Very high85.9Confident9 Ų962.6 Ų62.66%0.06135%0.35CS..BIsolated β-bridgetrans-71.8143172.5179.90000110.6C114 C116 E119 F120 T138 C139 L141C114-C136 HydrophobicContact CB-CB 4.36Å; C114-C136 VanDerWaalsContact CB-SG 3.57Å; C114-C136 VanDerWaalsContact SG-SG 3.67Å; C116-C136 VanDerWaalsContact SG-SG 3.65Å; E119-C136 WeakPolarHBondContact O-CA 3.28Å; F120-C136 HydrophobicContact CD1-CB 3.93Å; F120-C136 VanDerWaalsContact CD1-N 3.35Å; F120-C136 HydrophobicContact CE1-CB 3.49Å; F120-C136 VanDerWaalsContact CE1-CB 3.49Å; F120-C136 VanDerWaalsContact CE1-N 3.31Å; F120-C136 HydrophobicContact CZ-CB 3.84Å; C136-T138 VanDerWaalsContact C-N 3.32Å; C136-T138 PolarHBondContact O-N 3.23Å; C136-T138 PolarHBondContact SG-N 2.94Å; C136-C139 WeakPolarHBondContact CB-SG 3.46Å; C136-L141 PolarHBondContact N-O 3.3Å
137D92.7Very high86Confident104 Ų10459.5 Ų59.556%0.55634%0.335SS*.SBendtrans-66.6-31.6176.973.4-67.6000113.3G118 E119G118-D137 WeakPolarHBondContact CA-OD1 3.35Å; E119-D137 PolarHBondContact N-OD1 2.8Å; E119-D137 PolarHBondContact O-N 2.97Å; E119-D137 VanDerWaalsContact O-N 3.17Å; E119-D137 VanDerWaalsContact O-OD1 3.05Å
138T90.6Very high85.4Confident90 Ų9063.8 Ų63.855%0.55236%0.361SS*.SBendtrans-104.6-12.6-170.4-68.30000113.1C136C136-T138 VanDerWaalsContact C-N 3.32Å; C136-T138 PolarHBondContact O-N 3.23Å; C136-T138 PolarHBondContact SG-N 2.94Å
139C90.1Very high84.6Confident43 Ų4366 Ų6629%0.29138%0.384SS..SBendtrans-145.8-177.5-177.673.60000113.8C114 C116 C136 L141C114-C139 VanDerWaalsContact SG-SG 3.7Å; C116-C139 HydrophobicContact CB-CB 4.26Å; C136-C139 WeakPolarHBondContact CB-SG 3.46Å; C139-L141 VanDerWaalsContact C-N 3.32Å; C139-L141 VanDerWaalsContact SG-CG 3.6Å; C139-L141 PolarHBondContact SG-N 3.03Å
140S88Confident85.4Confident123 Ų12367.6 Ų67.686%0.8639%0.386SS*.SBendtrans-91.214.5179.566.70000113.9
141L90Very high86.3Confident50 Ų5062.5 Ų62.526%0.26237%0.366SS..  trans-79.2144.3176.3-63.2178.8000109.9D93 F120 C136 C139D93-L141 HydrophobicContact CB-CB 4.4Å; D93-L141 HydrophobicContact CB-CD2 4.04Å; D93-L141 WeakPolarHBondContact OD2-CD2 3.48Å; F120-L141 HydrophobicContact CE1-CB 4.44Å; F120-L141 WeakPolarHBondContact CE1-O 3.35Å; F120-L141 HydrophobicContact CZ-CB 4.1Å; C136-L141 PolarHBondContact N-O 3.3Å; C139-L141 VanDerWaalsContact C-N 3.32Å; C139-L141 VanDerWaalsContact SG-CG 3.6Å; C139-L141 PolarHBondContact SG-N 3.03Å
142S90.8Very high86.6Confident12 Ų1258.9 Ų58.98%0.08435%0.353CS..EExtended strand (participates in β ladder)trans-131.2137.3174.349.20000109.6P91 V92 D93 V134P91-S142 PolarHBondContact O-OG 3.37Å; V92-S142 CarbonylContact C-O 3.5Å; V92-S142 WeakPolarHBondContact CA-O 3.41Å; D93-S142 PolarHBondContact N-O 3.19Å; V134-S142 CarbonylContact O-C 3.55Å; V134-S142 VanDerWaalsContact O-CA 3.24Å; V134-S142 WeakPolarHBondContact O-CA 3.41Å
143I91.3Very high86.7Confident2 Ų261.2 Ų61.21%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-113.1153.2174.860.9170.6000110.1A94 V96 M101 Y112 F120 I133 V134 V145A94-I143 HydrophobicContact CB-CG2 4.07Å; A94-I143 WeakPolarHBondContact O-CA 2.86Å; V96-I143 HydrophobicContact CB-CD1 4.2Å; V96-I143 HydrophobicContact CG2-CB 4.34Å; V96-I143 HydrophobicContact CG2-CD1 3.84Å; V96-I143 HydrophobicContact CG2-CG2 4.5Å; M101-I143 HydrophobicContact CE-CD1 4.21Å; Y112-I143 HydrophobicContact CD1-CD1 4.07Å; F120-I143 HydrophobicContact CB-CD1 3.74Å; F120-I143 HydrophobicContact CB-CG1 4.26Å; F120-I143 HydrophobicContact CD1-CD1 4.05Å; F120-I143 HydrophobicContact CD1-CG1 3.74Å; F120-I143 HydrophobicContact CD1-CG2 4.4Å; F120-I143 HydrophobicContact CD2-CD1 3.79Å; F120-I143 HydrophobicContact CD2-CG1 4.29Å; F120-I143 HydrophobicContact CD2-CG2 4.38Å; F120-I143 HydrophobicContact CE1-CB 4.45Å; F120-I143 HydrophobicContact CE1-CG1 4.06Å; F120-I143 HydrophobicContact CE1-CG2 3.9Å; F120-I143 HydrophobicContact CE2-CD1 4.35Å; F120-I143 HydrophobicContact CE2-CG2 3.86Å; F120-I143 HydrophobicContact CG-CD1 3.61Å; F120-I143 HydrophobicContact CG-CG1 3.86Å; F120-I143 HydrophobicContact CZ-CG1 4.47Å; F120-I143 HydrophobicContact CZ-CG2 3.61Å; I133-I143 WeakPolarHBondContact CA-O 3.35Å; V134-I143 HydrophobicContact CB-CG1 4.12Å; V134-I143 PolarHBondContact N-O 2.95Å; V134-I143 PolarHBondContact O-N 3.49Å; I143-V145 HydrophobicContact CD1-CG2 4.01Å; I143-V145 HydrophobicContact CG1-CG2 4.23Å
144E91.3Very high86.5Confident31 Ų3160.1 Ų60.115%0.14536%0.362CS..EExtended strand (participates in β ladder)trans-97.1119.2168.6-173.9176.3-88.100109.3V92 A94 H95 V96 A132 I133 K146V92-E144 HydrophobicContact CB-CB 4.33Å; V92-E144 HydrophobicContact CG1-CB 4.12Å; V92-E144 HydrophobicContact CG2-CB 4.21Å; A94-E144 PolarHBondContact O-N 2.8Å; H95-E144 CarbonylContact C-O 3.52Å; H95-E144 WeakPolarHBondContact CA-O 3.27Å; H95-E144 IonicContact CE1-OE2 2.66Å; H95-E144 PolarHBondContact CE1-OE2 3.21Å; H95-E144 IonicContact CG-OE2 3.23Å; H95-E144 IonicContact ND1-OE2 2.64Å; H95-E144 PolarHBondContact ND1-OE2 2.84Å; V96-E144 PolarHBondContact N-O 3.05Å; A132-E144 CarbonylContact O-C 3.59Å; A132-E144 WeakPolarHBondContact O-CA 3.36Å; I133-E144 HydrophobicContact CD1-CB 3.86Å; I133-E144 HydrophobicContact CD1-CG 3.88Å; E144-K146 HydrophobicContact CG-CG 4.48Å; E144-K146 WeakPolarHBondContact OE2-CE 3.49Å; E144-K146 IonicContact OE2-NZ 2.71Å; E144-K146 PolarHBondContact OE2-NZ 3.33Å
145V91Very high86.3Confident3 Ų363.5 Ų63.52%0.01838%0.382CS..EExtended strand (participates in β ladder)trans-96.3125.4174.9-175.70000108.7V96 L98 M101 A132 V134 I143V96-V145 CarbonylContact O-C 3.54Å; V96-V145 VanDerWaalsContact O-CA 3.24Å; V96-V145 WeakPolarHBondContact O-CA 3.49Å; L98-V145 HydrophobicContact CB-CG1 4.2Å; L98-V145 HydrophobicContact CD1-CG1 3.86Å; M101-V145 HydrophobicContact CE-CG2 3.93Å; M101-V145 HydrophobicContact SD-CG1 3.78Å; M101-V145 HydrophobicContact SD-CG2 3.87Å; A132-V145 PolarHBondContact N-O 3.49Å; A132-V145 PolarHBondContact O-N 3.23Å; V134-V145 HydrophobicContact CB-CG2 4.47Å; V134-V145 HydrophobicContact CG2-CG2 3.7Å; I143-V145 HydrophobicContact CD1-CG2 4.01Å; I143-V145 HydrophobicContact CG1-CG2 4.23Å
146K88.8Confident86Confident74 Ų7461.8 Ų61.832%0.32237%0.368SS..EExtended strand (participates in β ladder)trans-111.9136174.7-53.6-169.8-169.7-880110.6V96 L98 E131 E144V96-K146 PolarHBondContact O-N 3.37Å; L98-K146 PolarHBondContact N-O 2.92Å; E131-K146 IonicContact OE1-NZ 3.8Å; E131-K146 PolarHBondContact OE1-NZ 3.32Å; E144-K146 HydrophobicContact CG-CG 4.48Å; E144-K146 WeakPolarHBondContact OE2-CE 3.49Å; E144-K146 IonicContact OE2-NZ 2.71Å; E144-K146 PolarHBondContact OE2-NZ 3.33Å
147T83.7Confident85.4Confident38 Ų3865.8 Ų65.823%0.23339%0.391CS..  trans-85.7117.3166.943.50000110L98 A127 G129 T149L98-T147 HydrophobicContact CB-CG2 4.13Å; L98-T147 HydrophobicContact CD2-CG2 3.66Å; L98-T147 HydrophobicContact CG-CG2 4.46Å; A127-T147 WeakPolarHBondContact O-CG2 3.42Å; G129-T147 PolarHBondContact O-OG1 2.97Å; T147-T149 PolarHBondContact O-N 3.37Å
148T66.5Low84.8Confident95 Ų9562.7 Ų62.758%0.58338%0.378SS*.  trans-71.298.2166.5-5.40000107.3D99D99-T148 PolarHBondContact OD2-OG1 2.81Å
149T56.1Low84.3Confident191 Ų19160.2 Ų60.2100%1.17236%0.362SS*.  trans-65.10170.2-55.90000110.9T147T147-T149 PolarHBondContact O-N 3.37Å

Retrieved 149 of 149 residues in 439.8 ms (Link to these results)

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