A0A087YQM1_POEFO Loading...

Pleckstrin homology-like domain, family A, member 1

AlphaFold DB , UniProt , Accession A0A087YQM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.5Very low74Confident228 Ų228109.7 Ų109.7100%1.12356%0.563SS**  0128.90-81.1168.6177.300107E3M1-E3 PolarHBondContact O-N 3.33Å
2L49.9Very low75.7Confident91 Ų91102.1 Ų102.148%0.47653%0.531SS..  trans-71.2108.5169.4-71.7164.1000107N4 V31L2-N4 PolarHBondContact O-N 3.14Å; L2-V31 HydrophobicContact CD1-CB 4.17Å; L2-V31 HydrophobicContact CD1-CG1 3.8Å; L2-V31 HydrophobicContact CD1-CG2 3.95Å
3E46.7Very low77.2Confident187 Ų187101.8 Ų101.887%0.87453%0.53SS*.SBendtrans-70.218.5-170.7-70.4179.5132.700115.3M1M1-E3 PolarHBondContact O-N 3.33Å
4N55.8Low78.5Confident117 Ų11794.7 Ų94.763%0.62649%0.493SS*.SBendtrans-111.717.4-166.6-80.8-10.8000116.1L2 R6L2-N4 PolarHBondContact O-N 3.14Å; N4-R6 HydrophobicContact CB-CG 4.43Å; N4-R6 PolarHBondContact O-N 3.06Å
5G63.4Low79.6Confident83 Ų8390.1 Ų90.186%0.85647%0.468SS*.  trans59.63.5174.300000116
6R78.7Confident80.6Confident101 Ų10185.8 Ų85.838%0.38145%0.445SS..PPolyproline II helixtrans-72.6131.6178.8-62.4-170.6-158.4168.63.8108.7N4 V8 E64N4-R6 HydrophobicContact CB-CG 4.43Å; N4-R6 PolarHBondContact O-N 3.06Å; R6-V8 PolarHBondContact O-N 2.96Å; R6-E64 IonicContact NH1-OE1 3.86Å; R6-E64 PolarHBondContact NH1-OE1 2.83Å; R6-E64 IonicContact NH1-OE2 3.33Å
7K90.8Very high81.5Confident125 Ų12585.7 Ų85.754%0.54344%0.437SS..PPolyproline II helixtrans-63.9121.4176.5-175.7173173.7-171.30109.7Y9 T33K7-Y9 HydrophobicContact CB-CE2 4.46Å; K7-Y9 HydrophobicContact CD-CE1 3.93Å; K7-Y9 HydrophobicContact CD-CE2 4.36Å; K7-Y9 VanDerWaalsContact CE-CE1 3.43Å; K7-Y9 HydrophobicContact CG-CE1 4.35Å; K7-Y9 HydrophobicContact CG-CE2 4.23Å; K7-T33 WeakPolarHBondContact O-CA 3.47Å
8V95.1Very high82.1Confident64 Ų6482 Ų8239%0.38842%0.42SS..EExtended strand (participates in β ladder)trans-92.3125.9173.2177.10000108.5R6 E11 V31R6-V8 PolarHBondContact O-N 2.96Å; V8-E11 HydrophobicContact CG1-CB 4.23Å; V8-V31 HydrophobicContact CB-CG1 4.39Å; V8-V31 HydrophobicContact CG1-CG1 3.73Å; V8-V31 HydrophobicContact CG2-CG1 3.82Å
9Y96Very high82.3Confident63 Ų6383.4 Ų83.425%0.24743%0.429CS..EExtended strand (participates in β ladder)trans-96.8-34.6177.9-66.9-83.2000112.5K7 L32 E34 Q112K7-Y9 HydrophobicContact CB-CE2 4.46Å; K7-Y9 HydrophobicContact CD-CE1 3.93Å; K7-Y9 HydrophobicContact CD-CE2 4.36Å; K7-Y9 VanDerWaalsContact CE-CE1 3.43Å; K7-Y9 HydrophobicContact CG-CE1 4.35Å; K7-Y9 HydrophobicContact CG-CE2 4.23Å; Y9-L32 PolarHBondContact N-O 2.97Å; Y9-E34 HydrophobicContact CE2-CB 3.79Å; Y9-Q112 HydrophobicContact CD2-CG 4.05Å; Y9-Q112 HydrophobicContact CG-CG 4.04Å; Y9-Q112 VanDerWaalsContact CG-NE2 3.26Å
10K97.1Very high82.5Confident42 Ų4281.2 Ų81.218%0.18343%0.428CS..EExtended strand (participates in β ladder)trans-153.2141.4175.2-171.8173.9168.690.50109.9L32 E103 W105 E108K10-L32 HydrophobicContact CB-CB 4.08Å; K10-L32 HydrophobicContact CB-CD2 4.11Å; K10-L32 PolarHBondContact O-N 3.43Å; K10-E103 WeakPolarHBondContact CE-O 3.32Å; K10-E103 PolarHBondContact NZ-O 2.85Å; K10-E103 IonicContact NZ-OE2 3.32Å; K10-E103 PolarHBondContact NZ-OE2 3Å; K10-W105 HydrophobicContact CB-CH2 4.23Å; K10-W105 HydrophobicContact CB-CZ3 4.17Å; K10-W105 HydrophobicContact CD-CD2 3.89Å; K10-W105 HydrophobicContact CD-CE3 3.91Å; K10-W105 HydrophobicContact CD-CH2 4.09Å; K10-W105 HydrophobicContact CD-CZ2 4.07Å; K10-W105 HydrophobicContact CD-CZ3 4.02Å; K10-W105 VanDerWaalsContact CE-CD2 3.5Å; K10-W105 HydrophobicContact CG-CE3 4.43Å; K10-W105 HydrophobicContact CG-CH2 3.78Å; K10-W105 HydrophobicContact CG-CZ2 3.99Å; K10-W105 HydrophobicContact CG-CZ3 4.02Å; K10-E108 HydrophobicContact CD-CB 4.46Å; K10-E108 HydrophobicContact CD-CG 4.18Å
11E96.1Very high82.7Confident106 Ų10685.5 Ų85.550%0.49545%0.45SS..EExtended strand (participates in β ladder)trans-135.2139.3173.7175170-167.200108.8V8 H29 C30 V31V8-E11 HydrophobicContact CG1-CB 4.23Å; E11-H29 IonicContact OE1-CD2 3.27Å; E11-H29 IonicContact OE1-CE1 3.78Å; E11-H29 PolarHBondContact OE1-CE1 3.46Å; E11-H29 IonicContact OE1-NE2 3.69Å; E11-H29 PolarHBondContact OE1-NE2 2.98Å; E11-C30 CarbonylContact C-O 3.54Å; E11-C30 VanDerWaalsContact CA-O 3.28Å; E11-C30 WeakPolarHBondContact CA-O 3.33Å; E11-V31 HydrophobicContact CB-CG2 4.46Å; E11-V31 HydrophobicContact CG-CG2 4Å
12G94.9Very high84.9Confident18 Ų1880.9 Ų80.919%0.18643%0.43CS..EExtended strand (participates in β ladder)trans162.8-164.6179.700000113.5C30G12-C30 PolarHBondContact N-O 3.27Å; G12-C30 PolarHBondContact O-N 3.36Å
13L94.3Very high86.9Confident99 Ų9980.3 Ų80.352%0.51842%0.424SS..EExtended strand (participates in β ladder)trans-91.3136.3-178.4-64.7176.9000111.7K28 W105L13-K28 WeakPolarHBondContact CA-O 3.16Å; L13-W105 PolarHBondContact O-NE1 2.83Å
14L95.8Very high89.1Confident2 Ų275.9 Ų75.91%0.0141%0.406CS..EExtended strand (participates in β ladder)trans-138.3140.1172-177.262.2000109.3K28 C30 F85 F97 R98 C99 W105L14-K28 PolarHBondContact N-O 3.32Å; L14-K28 PolarHBondContact O-N 3.04Å; L14-C30 HydrophobicContact CB-CB 4.13Å; L14-C30 VanDerWaalsContact CB-SG 3.55Å; L14-F85 HydrophobicContact CD1-CE1 3.88Å; L14-F85 HydrophobicContact CD1-CZ 3.8Å; L14-F85 HydrophobicContact CD2-CZ 3.96Å; L14-F85 HydrophobicContact CG-CZ 4.47Å; L14-F97 HydrophobicContact CD1-CB 4.2Å; L14-F97 HydrophobicContact CD1-CD1 4.49Å; L14-F97 HydrophobicContact CD2-CB 4.31Å; L14-F97 HydrophobicContact CD2-CD1 3.48Å; L14-F97 VanDerWaalsContact CD2-CD1 3.48Å; L14-F97 HydrophobicContact CD2-CE1 3.87Å; L14-F97 HydrophobicContact CD2-CG 3.96Å; L14-F97 HydrophobicContact CG-CB 4.3Å; L14-F97 HydrophobicContact CG-CD1 3.7Å; L14-F97 HydrophobicContact CG-CE1 4.39Å; L14-F97 HydrophobicContact CG-CG 4.3Å; L14-R98 WeakPolarHBondContact CD1-O 3.49Å; L14-C99 HydrophobicContact CD1-CB 3.73Å; L14-W105 HydrophobicContact CD1-CB 4.16Å; L14-W105 HydrophobicContact CD1-CG 3.98Å
15E95.6Very high91Very high25 Ų2573.5 Ų73.512%0.11739%0.388CS..EExtended strand (participates in β ladder)trans-97119.4179.9-61.7-171.5143.100110.2W25 K26 K27 F97 R98E15-W25 HydrophobicContact CB-CB 4.28Å; E15-W25 HydrophobicContact CB-CE3 4.41Å; E15-K26 CarbonylContact C-O 3.56Å; E15-K26 WeakPolarHBondContact CA-O 3.42Å; E15-K27 HydrophobicContact CG-CG 3.78Å; E15-K27 WeakPolarHBondContact OE1-CE 3.35Å; E15-K27 WeakPolarHBondContact OE1-CG 3.32Å; E15-F97 CarbonylContact O-C 3.59Å; E15-F97 WeakPolarHBondContact O-CA 3.47Å; E15-R98 HydrophobicContact CB-CG 3.89Å; E15-R98 PolarHBondContact N-O 2.96Å; E15-R98 VanDerWaalsContact N-O 3.09Å; E15-R98 PolarHBondContact O-N 3.34Å; E15-R98 IonicContact OE2-CZ 2.77Å; E15-R98 VanDerWaalsContact OE2-CZ 3.22Å; E15-R98 IonicContact OE2-NE 3.5Å; E15-R98 PolarHBondContact OE2-NE 3.31Å; E15-R98 IonicContact OE2-NH2 3.8Å; E15-R98 PolarHBondContact OE2-NH2 3.13Å
16K95.7Very high92.4Very high21 Ų2174.3 Ų74.39%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-95.7135174.8-164-155.6109.5151.40109.8D19 K26 K28 L39 I95 D96 F97K16-D19 IonicContact NZ-OD2 2.67Å; K16-D19 PolarHBondContact NZ-OD2 2.99Å; K16-K26 PolarHBondContact N-O 3.44Å; K16-K26 PolarHBondContact O-N 3.43Å; K16-K28 HydrophobicContact CB-CG 4.31Å; K16-L39 HydrophobicContact CD-CD1 4.3Å; K16-I95 HydrophobicContact CD-CG2 3.8Å; K16-I95 HydrophobicContact CG-CG2 3.72Å; K16-D96 CarbonylContact C-O 3.51Å; K16-D96 WeakPolarHBondContact CA-O 3.43Å; K16-F97 HydrophobicContact CB-CD1 3.98Å; K16-F97 HydrophobicContact CB-CE1 3.8Å; K16-F97 HydrophobicContact CG-CD1 4.05Å; K16-F97 HydrophobicContact CG-CE1 3.63Å; K16-F97 HydrophobicContact CG-CZ 4.14Å
17R95.5Very high93.1Very high85 Ų8575.5 Ų75.532%0.32138%0.376SS..EExtended strand (participates in β ladder)trans-70.8136.5169.9-154.2167.177.9-150.3-8.7110.3Q23 L24 W25 D96R17-Q23 HydrophobicContact CG-CB 4.38Å; R17-Q23 WeakPolarHBondContact CG-O 3.45Å; R17-L24 CarbonylContact C-O 3.52Å; R17-L24 WeakPolarHBondContact CA-O 3.38Å; R17-W25 HydrophobicContact CB-CD2 4.37Å; R17-W25 HydrophobicContact CB-CE3 3.87Å; R17-W25 HydrophobicContact CB-CH2 3.92Å; R17-W25 HydrophobicContact CB-CZ2 4.4Å; R17-W25 HydrophobicContact CB-CZ3 3.62Å; R17-W25 HydrophobicContact CG-CD2 4.37Å; R17-W25 HydrophobicContact CG-CE3 4.36Å; R17-W25 HydrophobicContact CG-CH2 4.27Å; R17-W25 HydrophobicContact CG-CZ2 4.26Å; R17-W25 HydrophobicContact CG-CZ3 4.31Å; R17-D96 HydrophobicContact CB-CB 3.9Å; R17-D96 IonicContact CZ-OD2 2.89Å; R17-D96 PolarHBondContact N-O 3.42Å; R17-D96 IonicContact NE-OD2 2.68Å; R17-D96 IonicContact NH1-OD2 3.22Å; R17-D96 PolarHBondContact NH1-OD2 3.34Å; R17-D96 IonicContact NH2-OD2 2.83Å; R17-D96 PolarHBondContact NH2-OD2 3.43Å
18S91.8Very high93.2Very high19 Ų1971.5 Ų71.513%0.13336%0.359CS..PPolyproline II helixtrans-80.2146.3175.269.20000111.2G20 Q23 L24S18-G20 PolarHBondContact O-N 3.31Å; S18-Q23 PolarHBondContact O-NE2 3.06Å; S18-Q23 PolarHBondContact O-OE1 3.47Å; S18-L24 PolarHBondContact N-O 2.83Å; S18-L24 PolarHBondContact OG-N 3.43Å; S18-L24 PolarHBondContact OG-O 3.04Å
19D86.9Confident93.1Very high108 Ų10870 Ų7058%0.57835%0.347SS*.SBendtrans-80.44.2179-47.8-48.3000112.7K16K16-D19 IonicContact NZ-OD2 2.67Å; K16-D19 PolarHBondContact NZ-OD2 2.99Å
20G85.4Confident93.1Very high40 Ų4067 Ų6741%0.41234%0.336SS..SBendtrans-84.8171.7-178.900000113.9S18 L22 Q23S18-G20 PolarHBondContact O-N 3.31Å; G20-L22 PolarHBondContact O-N 3.37Å; G20-L22 VanDerWaalsContact O-N 3.08Å; G20-Q23 PolarHBondContact O-N 3.5Å; G20-Q23 PolarHBondContact O-NE2 3.06Å
21L87.3Confident93.1Very high171 Ų17165 Ų6590%0.89533%0.327SS*.THydrogen-bonded Turntrans-51.2-37.4-175.8-177.662.3000114.1
22L90.3Very high93.1Very high132 Ų13259.9 Ų59.969%0.69130%0.303SS*.THydrogen-bonded Turntrans-83.6-7.9-177-61179.2000114.5G20 L24G20-L22 PolarHBondContact O-N 3.37Å; G20-L22 VanDerWaalsContact O-N 3.08Å; L22-L24 HydrophobicContact CB-CD1 4.14Å; L22-L24 HydrophobicContact CB-CD2 4.15Å; L22-L24 HydrophobicContact CB-CG 3.75Å; L22-L24 HydrophobicContact CD1-CD1 4.25Å; L22-L24 PolarHBondContact O-N 3.3Å; L22-L24 VanDerWaalsContact O-N 3.08Å
23Q91.6Very high93.2Very high78 Ų7859.2 Ų59.236%0.36430%0.296SS..  trans46.942.9176.9-63.9-67.8-50.800114.2R17 S18 G20R17-Q23 HydrophobicContact CG-CB 4.38Å; R17-Q23 WeakPolarHBondContact CG-O 3.45Å; S18-Q23 PolarHBondContact O-NE2 3.06Å; S18-Q23 PolarHBondContact O-OE1 3.47Å; G20-Q23 PolarHBondContact O-N 3.5Å; G20-Q23 PolarHBondContact O-NE2 3.06Å
24L93.8Very high93.3Very high94 Ų9457.6 Ų57.649%0.49229%0.285SS..  trans-76.1147.6-174.4-61.6175.2000112.4R17 S18 L22R17-L24 CarbonylContact C-O 3.52Å; R17-L24 WeakPolarHBondContact CA-O 3.38Å; S18-L24 PolarHBondContact N-O 2.83Å; S18-L24 PolarHBondContact OG-N 3.43Å; S18-L24 PolarHBondContact OG-O 3.04Å; L22-L24 HydrophobicContact CB-CD1 4.14Å; L22-L24 HydrophobicContact CB-CD2 4.15Å; L22-L24 HydrophobicContact CB-CG 3.75Å; L22-L24 HydrophobicContact CD1-CD1 4.25Å; L22-L24 PolarHBondContact O-N 3.3Å; L22-L24 VanDerWaalsContact O-N 3.08Å
25W94.3Very high93.3Very high67 Ų6760 Ų6025%0.25430%0.298SS..EExtended strand (participates in β ladder)trans-85.3119.8171.7-62.799.9000110.6E15 R17 Y84 D96 R98E15-W25 HydrophobicContact CB-CB 4.28Å; E15-W25 HydrophobicContact CB-CE3 4.41Å; R17-W25 HydrophobicContact CB-CD2 4.37Å; R17-W25 HydrophobicContact CB-CE3 3.87Å; R17-W25 HydrophobicContact CB-CH2 3.92Å; R17-W25 HydrophobicContact CB-CZ2 4.4Å; R17-W25 HydrophobicContact CB-CZ3 3.62Å; R17-W25 HydrophobicContact CG-CD2 4.37Å; R17-W25 HydrophobicContact CG-CE3 4.36Å; R17-W25 HydrophobicContact CG-CH2 4.27Å; R17-W25 HydrophobicContact CG-CZ2 4.26Å; R17-W25 HydrophobicContact CG-CZ3 4.31Å; W25-Y84 AromaticContact CH2-CD1 3.88Å; W25-Y84 HydrophobicContact CH2-CD1 3.88Å; W25-Y84 HydrophobicContact CH2-CE1 4.2Å; W25-Y84 AromaticContact CZ2-CD1 3.75Å; W25-Y84 HydrophobicContact CZ2-CD1 3.75Å; W25-Y84 AromaticContact CZ2-CE1 3.66Å; W25-Y84 HydrophobicContact CZ2-CE1 3.66Å; W25-D96 HydrophobicContact CH2-CB 4.15Å; W25-D96 HydrophobicContact CZ3-CB 4.4Å; W25-R98 HydrophobicContact CD2-CG 3.9Å; W25-R98 HydrophobicContact CE3-CB 4.32Å; W25-R98 HydrophobicContact CE3-CG 3.67Å; W25-R98 HydrophobicContact CG-CG 4.49Å; W25-R98 HydrophobicContact CH2-CB 4.28Å; W25-R98 HydrophobicContact CH2-CG 4.39Å; W25-R98 HydrophobicContact CZ3-CB 4.06Å; W25-R98 HydrophobicContact CZ3-CG 3.93Å
26K92.9Very high93.3Very high101 Ų10158.8 Ų58.844%0.43929%0.293SS..EExtended strand (participates in β ladder)trans-113.1124.8-179.3-63.7-173.9179.6-175.60110.2E15 K16 K28E15-K26 CarbonylContact C-O 3.56Å; E15-K26 WeakPolarHBondContact CA-O 3.42Å; K16-K26 PolarHBondContact N-O 3.44Å; K16-K26 PolarHBondContact O-N 3.43Å; K26-K28 PolarHBondContact O-N 3.38Å
27K93.1Very high93.4Very high126 Ų12657.9 Ų57.955%0.54829%0.289SS..EExtended strand (participates in β ladder)trans-63132.5172.6-73.6177.8-177.1178.50110.5E15E15-K27 HydrophobicContact CG-CG 3.78Å; E15-K27 WeakPolarHBondContact OE1-CE 3.35Å; E15-K27 WeakPolarHBondContact OE1-CG 3.32Å
28K93.1Very high93.4Very high40 Ų4054.5 Ų54.517%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-126.1138.8174.3-64.7-63.4-175.6173.80108.5L13 L14 K16 K26 C30L13-K28 WeakPolarHBondContact CA-O 3.16Å; L14-K28 PolarHBondContact N-O 3.32Å; L14-K28 PolarHBondContact O-N 3.04Å; K16-K28 HydrophobicContact CB-CG 4.31Å; K26-K28 PolarHBondContact O-N 3.38Å; K28-C30 PolarHBondContact O-N 3.29Å; K28-C30 PolarHBondContact O-SG 3.46Å
29H94.2Very high93.5Very high32 Ų3253.9 Ų53.915%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-78116.5167.3-172.160000107.4E11 L40E11-H29 IonicContact OE1-CD2 3.27Å; E11-H29 IonicContact OE1-CE1 3.78Å; E11-H29 PolarHBondContact OE1-CE1 3.46Å; E11-H29 IonicContact OE1-NE2 3.69Å; E11-H29 PolarHBondContact OE1-NE2 2.98Å; H29-L40 HydrophobicContact CB-CB 4.2Å; H29-L40 PolarHBondContact N-O 2.99Å; H29-L40 WeakPolarHBondContact O-CA 3.38Å; H29-L40 VanDerWaalsContact O-CB 3.32Å; H29-L40 WeakPolarHBondContact O-CB 3.44Å; H29-L40 PolarHBondContact O-N 3.49Å
30C95.4Very high93.7Very high0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-115.4139.3-168.7-65.30000110.9E11 G12 L14 K28 L38 L39 W105E11-C30 CarbonylContact C-O 3.54Å; E11-C30 VanDerWaalsContact CA-O 3.28Å; E11-C30 WeakPolarHBondContact CA-O 3.33Å; G12-C30 PolarHBondContact N-O 3.27Å; G12-C30 PolarHBondContact O-N 3.36Å; L14-C30 HydrophobicContact CB-CB 4.13Å; L14-C30 VanDerWaalsContact CB-SG 3.55Å; K28-C30 PolarHBondContact O-N 3.29Å; K28-C30 PolarHBondContact O-SG 3.46Å; C30-L38 VanDerWaalsContact CA-O 3.25Å; C30-L38 WeakPolarHBondContact CA-O 3.5Å; C30-L39 HydrophobicContact CB-CD2 4.47Å; C30-L39 WeakPolarHBondContact SG-CD2 3.33Å; C30-W105 HydrophobicContact CB-CH2 3.8Å; C30-W105 HydrophobicContact CB-CZ2 4.21Å; C30-W105 HydrophobicContact CB-CZ3 4.24Å
31V96.3Very high93.4Very high0 Ų050.6 Ų50.60%025%0.248CC..EExtended strand (participates in β ladder)trans-128.6118.5176.1-173.80000108.8L2 V8 E11 T33 V37 L38 L40L2-V31 HydrophobicContact CD1-CB 4.17Å; L2-V31 HydrophobicContact CD1-CG1 3.8Å; L2-V31 HydrophobicContact CD1-CG2 3.95Å; V8-V31 HydrophobicContact CB-CG1 4.39Å; V8-V31 HydrophobicContact CG1-CG1 3.73Å; V8-V31 HydrophobicContact CG2-CG1 3.82Å; E11-V31 HydrophobicContact CB-CG2 4.46Å; E11-V31 HydrophobicContact CG-CG2 4Å; V31-T33 HydrophobicContact CG1-CG2 4.05Å; V31-V37 WeakPolarHBondContact O-CA 3.49Å; V31-L38 HydrophobicContact CB-CB 4.35Å; V31-L38 PolarHBondContact N-O 3.33Å; V31-L38 PolarHBondContact O-N 2.92Å; V31-L40 HydrophobicContact CG2-CD1 3.96Å
32L97.6Very high92.5Very high0 Ų046.2 Ų46.20%023%0.23CC..EExtended strand (participates in β ladder)trans-89.7121.9173.2178.465.4000109.1Y9 K10 V37 F67 W105 E108 I109 Q112Y9-L32 PolarHBondContact N-O 2.97Å; K10-L32 HydrophobicContact CB-CB 4.08Å; K10-L32 HydrophobicContact CB-CD2 4.11Å; K10-L32 PolarHBondContact O-N 3.43Å; L32-V37 HydrophobicContact CD1-CG2 3.81Å; L32-F67 HydrophobicContact CD1-CE1 4.48Å; L32-F67 HydrophobicContact CD1-CZ 3.71Å; L32-W105 HydrophobicContact CB-CZ3 4.11Å; L32-E108 HydrophobicContact CD2-CB 3.74Å; L32-I109 HydrophobicContact CD1-CG1 4.13Å; L32-Q112 HydrophobicContact CD1-CB 4.15Å; L32-Q112 HydrophobicContact CD1-CG 4.13Å; L32-Q112 HydrophobicContact CD2-CG 3.75Å; L32-Q112 HydrophobicContact CG-CG 3.98Å
33T96.7Very high91.1Very high4 Ų447.3 Ų47.33%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-119.8-176.917967.30000110.4K7 V31 D35 G36 L38 F67K7-T33 WeakPolarHBondContact O-CA 3.47Å; V31-T33 HydrophobicContact CG1-CG2 4.05Å; T33-D35 PolarHBondContact O-N 3.35Å; T33-D35 PolarHBondContact OG1-N 2.99Å; T33-G36 PolarHBondContact N-O 3.04Å; T33-G36 PolarHBondContact OG1-N 3.48Å; T33-G36 PolarHBondContact OG1-O 3.5Å; T33-L38 HydrophobicContact CG2-CD1 3.72Å; T33-F67 WeakPolarHBondContact O-CE2 3.39Å
34E95.6Very high89.3Confident64 Ų6452.9 Ų52.930%0.29926%0.255SS..SBendtrans-70.3-19177.670-172.8135.500114.6Y9 F67 Y116 R119Y9-E34 HydrophobicContact CE2-CB 3.79Å; E34-F67 WeakPolarHBondContact O-CD2 3.33Å; E34-Y116 WeakPolarHBondContact O-CD2 3.21Å; E34-R119 PolarHBondContact O-NH2 3.12Å
35D95.3Very high86.9Confident53 Ų5355.6 Ų55.628%0.28327%0.265SS..SBendtrans-109.8-15.7-173.9-65.9-43.4000113.4T33 H66 F67T33-D35 PolarHBondContact O-N 3.35Å; T33-D35 PolarHBondContact OG1-N 2.99Å; D35-H66 WeakPolarHBondContact O-CA 3.46Å; D35-F67 WeakPolarHBondContact O-CD2 3.36Å; D35-F67 PolarHBondContact O-N 3.36Å
36G97.1Very high84.4Confident0 Ų058.8 Ų58.80%029%0.287CS..EExtended strand (participates in β ladder)trans166.6-168.1-178.100000115.2T33 L65 F67T33-G36 PolarHBondContact N-O 3.04Å; T33-G36 PolarHBondContact OG1-N 3.48Å; T33-G36 PolarHBondContact OG1-O 3.5Å; G36-L65 CarbonylContact C-O 3.57Å; G36-L65 WeakPolarHBondContact CA-O 3.41Å; G36-F67 VanDerWaalsContact N-CE2 3.34Å
37V97.6Very high81.8Confident2 Ų262.8 Ų62.81%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-112.6120.1179.2-174.90000109.5V31 L32 L39 L65 F67 M70 I109V31-V37 WeakPolarHBondContact O-CA 3.49Å; L32-V37 HydrophobicContact CD1-CG2 3.81Å; V37-L39 HydrophobicContact CG1-CD2 3.99Å; V37-L65 HydrophobicContact CB-CB 4.43Å; V37-L65 PolarHBondContact N-O 3.36Å; V37-L65 PolarHBondContact O-N 2.93Å; V37-F67 HydrophobicContact CG2-CE1 4.47Å; V37-M70 HydrophobicContact CG2-CE 4.19Å; V37-I109 HydrophobicContact CG2-CD1 4.19Å; V37-I109 HydrophobicContact CG2-CG1 3.93Å; V37-I109 HydrophobicContact CG2-CG2 4.03Å
38L95.6Very high79.4Confident13 Ų1362.5 Ų62.57%0.06832%0.317CS..EExtended strand (participates in β ladder)trans-91.8128.1174.1-68.376.5000109.1C30 V31 T33 V62 E64C30-L38 VanDerWaalsContact CA-O 3.25Å; C30-L38 WeakPolarHBondContact CA-O 3.5Å; V31-L38 HydrophobicContact CB-CB 4.35Å; V31-L38 PolarHBondContact N-O 3.33Å; V31-L38 PolarHBondContact O-N 2.92Å; T33-L38 HydrophobicContact CG2-CD1 3.72Å; L38-V62 HydrophobicContact CD2-CG1 4.42Å; L38-E64 HydrophobicContact CD1-CG 4.22Å; L38-E64 HydrophobicContact CG-CG 4.1Å
39L94.5Very high77Confident6 Ų669.2 Ų69.23%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-104.699.4172.9-50-179.7000108.1K16 C30 V37 K63 L65 F97K16-L39 HydrophobicContact CD-CD1 4.3Å; C30-L39 HydrophobicContact CB-CD2 4.47Å; C30-L39 WeakPolarHBondContact SG-CD2 3.33Å; V37-L39 HydrophobicContact CG1-CD2 3.99Å; L39-K63 HydrophobicContact CB-CB 4.33Å; L39-K63 PolarHBondContact N-O 2.99Å; L39-K63 PolarHBondContact O-N 3.25Å; L39-K63 VanDerWaalsContact O-N 3.15Å; L39-L65 HydrophobicContact CD1-CD1 4.24Å; L39-L65 HydrophobicContact CD1-CG 4.43Å; L39-F97 HydrophobicContact CD1-CE1 4.21Å; L39-F97 HydrophobicContact CD1-CZ 4.13Å; L39-F97 HydrophobicContact CD2-CE1 4.07Å; L39-F97 HydrophobicContact CD2-CZ 4.34Å
40L89.9Confident74.3Confident30 Ų3075.3 Ų75.316%0.15738%0.378CS..EExtended strand (participates in β ladder)trans-87.4146.6179.4-58.7171.6000110.1H29 V31 V62H29-L40 HydrophobicContact CB-CB 4.2Å; H29-L40 PolarHBondContact N-O 2.99Å; H29-L40 WeakPolarHBondContact O-CA 3.38Å; H29-L40 VanDerWaalsContact O-CB 3.32Å; H29-L40 WeakPolarHBondContact O-CB 3.44Å; H29-L40 PolarHBondContact O-N 3.49Å; V31-L40 HydrophobicContact CG2-CD1 3.96Å; L40-V62 HydrophobicContact CD2-CB 4.09Å; L40-V62 HydrophobicContact CD2-CG1 3.59Å; L40-V62 HydrophobicContact CD2-CG2 3.45Å; L40-V62 VanDerWaalsContact CD2-CG2 3.45Å
41P78.4Confident72Confident50 Ų5085 Ų8533%0.32542%0.423SS..PPolyproline II helixtrans-57.6149.2166.925.4-31.6000109.6K43P41-K43 PolarHBondContact O-N 3.46Å
42P69.1Low69.2Low79 Ų7992.4 Ų92.451%0.51346%0.458SS..PPolyproline II helixtrans-53.3134.4171.3-19.430.2000109.2Q44P42-Q44 PolarHBondContact O-N 3.42Å
43K61.8Low66.8Low155 Ų155101.7 Ų101.767%0.67450%0.501SS*.  trans-59.7108.9172.5-69-176-179.3174.60107.7P41 H45P41-K43 PolarHBondContact O-N 3.46Å; K43-H45 PolarHBondContact O-N 3.03Å
44Q53.7Low64Low194 Ų194110.1 Ų110.191%0.90754%0.541SS*.  trans-70.996.4169.7-73.1-179.4-42.200107P42P42-Q44 PolarHBondContact O-N 3.42Å
45H43Very low61.2Low152 Ų152116.1 Ų116.170%0.70457%0.568SS**  trans-84.6114.8161.1-88.6-64.4000108.1K43K43-H45 PolarHBondContact O-N 3.03Å
46D42.2Very low58.4Low133 Ų133117.7 Ų117.771%0.71160%0.597SS**SBendtrans61.558.3151.8-55.1-43.3000120.6
47H37.5Very low55.7Low186 Ų186120.2 Ų120.286%0.86162%0.623SS**  trans-130.7110.5150.8-8835.1000110.1
48P43.5Very low53.4Low119 Ų119124.6 Ų124.677%0.77365%0.646SS**  trans-73.3148.9161.133.3-30.5000108.3
49Q41.9Very low51.1Low181 Ų181129.1 Ų129.185%0.84667%0.674SS**  trans81.691.9168-121.7168.722.100116.6
50Q38.5Very low49.1Very low160 Ų160131.9 Ų131.975%0.74871%0.705SS**  -178.6117.898.6-95.6173.312.100109.6Q52Q50-Q52 VanDerWaalsContact C-N 3.35Å; Q50-Q52 PolarHBondContact O-N 2.98Å
51Q45.6Very low47.9Very low203 Ų203138.6 Ų138.695%0.94973%0.732SS**  trans-60.499159.1-75.9170.5-700107.9
52Q38.7Very low47.6Very low156 Ų156140 Ų14073%0.72974%0.74SS**  trans-115111151.4-94179.311.700108.5Q50 Q54Q50-Q52 VanDerWaalsContact C-N 3.35Å; Q50-Q52 PolarHBondContact O-N 2.98Å; Q52-Q54 PolarHBondContact O-N 3.31Å
53Q45.8Very low48.5Very low196 Ų196138.9 Ų138.992%0.91673%0.727SS**  trans-44.6109.7158.8-71.1167.8-7.300108.6
54Q38.3Very low50Low181 Ų181134 Ų13485%0.84671%0.707SS**  trans-124.8123.3159.9-114.9179.540.400109Q52Q52-Q54 PolarHBondContact O-N 3.31Å
55H36.4Very low52Low189 Ų189125.1 Ų125.188%0.87567%0.665SS**  trans-52.2139.7-174.7-76.7-100.3000113.4
56G37.5Very low54.6Low87 Ų87121.3 Ų121.390%0.89765%0.648SS**SBendtrans67.190.9147.300000117.4
57G40.3Very low57.2Low52 Ų52115 Ų11554%0.53661%0.614SS.*SBendtrans148.489.9148.600000116.4T59G57-T59 VanDerWaalsContact C-N 3.27Å; G57-T59 WeakPolarHBondContact O-CG2 3.22Å; G57-T59 PolarHBondContact O-N 3.44Å
58D49.9Very low60.1Low94 Ų94108.8 Ų108.850%0.50360%0.595SS.*  trans46.735.6147-152.527.1000116.8K63D58-K63 IonicContact OD2-NZ 2.68Å; D58-K63 PolarHBondContact OD2-NZ 2.9Å
59T47.8Very low62.7Low108 Ų108106.9 Ų106.966%0.66358%0.578SS**  trans-94.4-8.8-170.146.90000115.6G57G57-T59 VanDerWaalsContact C-N 3.27Å; G57-T59 WeakPolarHBondContact O-CG2 3.22Å; G57-T59 PolarHBondContact O-N 3.44Å
60G52.1Low65.3Low65 Ų6598.3 Ų98.367%0.6754%0.538SS*.SBendtrans-113.6-10.6-173.200000116.8
61K63.4Low68.1Low170 Ų17097.5 Ų97.574%0.73953%0.532SS*.SBendtrans-105.6135.7-172.4-64.4-176.4-179.3-178.50110.9K63K61-K63 PolarHBondContact O-N 3.36Å
62V73.6Confident70.6Confident81 Ų8189.9 Ų89.949%0.49150%0.5SS..  trans-57123.7165.1175.40000107.5L38 L40L38-V62 HydrophobicContact CD2-CG1 4.42Å; L40-V62 HydrophobicContact CD2-CB 4.09Å; L40-V62 HydrophobicContact CD2-CG1 3.59Å; L40-V62 HydrophobicContact CD2-CG2 3.45Å; L40-V62 VanDerWaalsContact CD2-CG2 3.45Å
63K87Confident73.4Confident54 Ų5483.1 Ų83.124%0.23547%0.469CS..EExtended strand (participates in β ladder)trans-107.3117.3177.3-168.2173.6-156.2139.80108.9L39 D58 K61 L65L39-K63 HydrophobicContact CB-CB 4.33Å; L39-K63 PolarHBondContact N-O 2.99Å; L39-K63 PolarHBondContact O-N 3.25Å; L39-K63 VanDerWaalsContact O-N 3.15Å; D58-K63 IonicContact OD2-NZ 2.68Å; D58-K63 PolarHBondContact OD2-NZ 2.9Å; K61-K63 PolarHBondContact O-N 3.36Å; K63-L65 HydrophobicContact CG-CD2 4.49Å
64E92.6Very high75.8Confident54 Ų5477.2 Ų77.225%0.25244%0.444SS..EExtended strand (participates in β ladder)trans-100.9125.2177.1-168.1166.2-177.400109.6R6 L38 H66R6-E64 IonicContact NH1-OE1 3.86Å; R6-E64 PolarHBondContact NH1-OE1 2.83Å; R6-E64 IonicContact NH1-OE2 3.33Å; L38-E64 HydrophobicContact CD1-CG 4.22Å; L38-E64 HydrophobicContact CG-CG 4.1Å; E64-H66 IonicContact OE1-CE1 2.68Å; E64-H66 PolarHBondContact OE1-CE1 3.47Å; E64-H66 IonicContact OE1-ND1 3.18Å; E64-H66 IonicContact OE2-CE1 3.75Å; E64-H66 IonicContact OE2-NE2 2.82Å
65L96.2Very high78.3Confident6 Ų671.6 Ų71.63%0.03142%0.424CS..EExtended strand (participates in β ladder)trans-97.498.4171.1-52.4-177.5000107.3G36 V37 L39 K63 M70 M89 I95 F97G36-L65 CarbonylContact C-O 3.57Å; G36-L65 WeakPolarHBondContact CA-O 3.41Å; V37-L65 HydrophobicContact CB-CB 4.43Å; V37-L65 PolarHBondContact N-O 3.36Å; V37-L65 PolarHBondContact O-N 2.93Å; L39-L65 HydrophobicContact CD1-CD1 4.24Å; L39-L65 HydrophobicContact CD1-CG 4.43Å; K63-L65 HydrophobicContact CG-CD2 4.49Å; L65-M70 HydrophobicContact CB-CE 3.26Å; L65-M70 HydrophobicContact CD1-CE 4.24Å; L65-M70 HydrophobicContact CG-CE 4.4Å; L65-M70 VanDerWaalsContact O-CE 3.29Å; L65-M70 WeakPolarHBondContact O-CE 3.33Å; L65-M89 HydrophobicContact CD2-CE 4.45Å; L65-I95 HydrophobicContact CD1-CD1 3.96Å; L65-I95 HydrophobicContact CD2-CD1 3.52Å; L65-I95 HydrophobicContact CG-CD1 4.42Å; L65-F97 HydrophobicContact CD1-CE2 4.15Å; L65-F97 HydrophobicContact CD1-CZ 3.81Å
66H97.1Very high80.8Confident72 Ų7267.3 Ų67.333%0.33341%0.411SS..EExtended strand (participates in β ladder)trans-75.5136.8-179.1-67.7-79.4000111.7D35 E64 A68 N69 M70D35-H66 WeakPolarHBondContact O-CA 3.46Å; E64-H66 IonicContact OE1-CE1 2.68Å; E64-H66 PolarHBondContact OE1-CE1 3.47Å; E64-H66 IonicContact OE1-ND1 3.18Å; E64-H66 IonicContact OE2-CE1 3.75Å; E64-H66 IonicContact OE2-NE2 2.82Å; H66-A68 PolarHBondContact O-N 3.05Å; H66-N69 CarbonylContact O-C 3.54Å; H66-N69 WeakPolarHBondContact O-CA 3.22Å; H66-N69 PolarHBondContact O-N 3.48Å; H66-M70 PolarHBondContact O-N 2.78Å
67F98.2Very high83.4Confident1 Ų167.5 Ų67.50%0.00439%0.388CS..G310 helixtrans-61.1-28.4174.5-65.8-39.8000113.2L32 T33 E34 D35 G36 V37 N69 M70 I109 Q112 M113 Y116L32-F67 HydrophobicContact CD1-CE1 4.48Å; L32-F67 HydrophobicContact CD1-CZ 3.71Å; T33-F67 WeakPolarHBondContact O-CE2 3.39Å; E34-F67 WeakPolarHBondContact O-CD2 3.33Å; D35-F67 WeakPolarHBondContact O-CD2 3.36Å; D35-F67 PolarHBondContact O-N 3.36Å; G36-F67 VanDerWaalsContact N-CE2 3.34Å; V37-F67 HydrophobicContact CG2-CE1 4.47Å; F67-N69 PolarHBondContact O-N 3.36Å; F67-M70 HydrophobicContact CD1-CE 4.22Å; F67-M70 HydrophobicContact CD1-SD 3.63Å; F67-M70 HydrophobicContact CE1-CE 4.32Å; F67-M70 HydrophobicContact CE1-SD 4Å; F67-M70 PolarHBondContact O-N 3Å; F67-I109 HydrophobicContact CE1-CG2 4.18Å; F67-Q112 HydrophobicContact CE2-CB 3.73Å; F67-Q112 HydrophobicContact CZ-CB 3.59Å; F67-M113 HydrophobicContact CD1-CB 3.72Å; F67-M113 HydrophobicContact CD1-CG 4.03Å; F67-M113 HydrophobicContact CE1-CB 3.93Å; F67-M113 HydrophobicContact CG-CB 4.29Å; F67-M113 HydrophobicContact CG-CG 4.47Å; F67-Y116 HydrophobicContact CB-CD1 3.53Å; F67-Y116 HydrophobicContact CB-CD2 4.25Å; F67-Y116 HydrophobicContact CB-CE1 4.03Å; F67-Y116 HydrophobicContact CB-CG 3.67Å; F67-Y116 HydrophobicContact CD2-CD2 4.23Å; F67-Y116 AromaticContact CD2-CG 3.99Å; F67-Y116 HydrophobicContact CD2-CG 3.99Å; F67-Y116 HydrophobicContact CG-CG 4.29Å
68A97.4Very high86Confident55 Ų5571.6 Ų71.646%0.45539%0.387SS..G310 helixtrans-56.2-31.9171.100000112.6H66 Y116H66-A68 PolarHBondContact O-N 3.05Å; A68-Y116 HydrophobicContact CB-CE1 4.28Å
69N97.5Very high87.9Confident79 Ų7973.3 Ų73.342%0.42239%0.39SS..G310 helixtrans-1056.6-177.1-60.2-20.2000112.3H66 F67 M89 T90H66-N69 CarbonylContact O-C 3.54Å; H66-N69 WeakPolarHBondContact O-CA 3.22Å; H66-N69 PolarHBondContact O-N 3.48Å; F67-N69 PolarHBondContact O-N 3.36Å; N69-M89 HydrophobicContact CB-CE 3.83Å; N69-M89 CarbonylContact O-C 3.6Å; N69-M89 VanDerWaalsContact O-CA 3.22Å; N69-M89 WeakPolarHBondContact O-CA 3.19Å; N69-M89 WeakPolarHBondContact O-CE 3.36Å; N69-T90 PolarHBondContact O-N 2.98Å; N69-T90 PolarHBondContact O-OG1 3.34Å
70M98Very high90.1Very high2 Ų271.7 Ų71.71%0.0140%0.395CS..EExtended strand (participates in β ladder)trans-96.8125.7176.1-71.8-172.9-171.300111.1V37 L65 H66 F67 V87 M89 M113 K117V37-M70 HydrophobicContact CG2-CE 4.19Å; L65-M70 HydrophobicContact CB-CE 3.26Å; L65-M70 HydrophobicContact CD1-CE 4.24Å; L65-M70 HydrophobicContact CG-CE 4.4Å; L65-M70 VanDerWaalsContact O-CE 3.29Å; L65-M70 WeakPolarHBondContact O-CE 3.33Å; H66-M70 PolarHBondContact O-N 2.78Å; F67-M70 HydrophobicContact CD1-CE 4.22Å; F67-M70 HydrophobicContact CD1-SD 3.63Å; F67-M70 HydrophobicContact CE1-CE 4.32Å; F67-M70 HydrophobicContact CE1-SD 4Å; F67-M70 PolarHBondContact O-N 3Å; M70-V87 HydrophobicContact CE-CG1 3.91Å; M70-V87 HydrophobicContact CG-CG1 3.84Å; M70-V87 HydrophobicContact SD-CG1 3.76Å; M70-M89 HydrophobicContact CG-CE 4.34Å; M70-M89 HydrophobicContact CG-SD 4.05Å; M70-M113 HydrophobicContact CB-SD 3.73Å; M70-M113 HydrophobicContact SD-SD 4.44Å; M70-K117 WeakPolarHBondContact O-CE 3.47Å; M70-K117 PolarHBondContact O-NZ 3.27Å
71K97.2Very high92.1Very high142 Ų14275.5 Ų75.562%0.61739%0.393SS*.EExtended strand (participates in β ladder)trans-79.1-57.7172.4-172.2179.5178.3-175.90110.6V88 K117K71-V88 WeakPolarHBondContact CA-O 3.15Å; K71-V88 HydrophobicContact CB-CB 4.41Å; K71-V88 HydrophobicContact CB-CG1 4.26Å; K71-V88 WeakPolarHBondContact CB-O 3.34Å; K71-V88 HydrophobicContact CD-CG1 4.24Å; K71-V88 PolarHBondContact N-O 2.59Å; K71-K117 PolarHBondContact O-NZ 3.31Å
72T97.4Very high93.6Very high44 Ų4470 Ų7027%0.2737%0.368SS..EExtended strand (participates in β ladder)trans-152.2166.3-176.7-1710000112.1D74 V88T72-D74 VanDerWaalsContact CG2-OD1 3.29Å; T72-D74 WeakPolarHBondContact CG2-OD1 3.36Å; T72-D74 WeakPolarHBondContact CG2-OD2 3.39Å; T72-D74 PolarHBondContact OG1-OD1 3.28Å; T72-V88 HydrophobicContact CG2-CB 3.76Å; T72-V88 HydrophobicContact CG2-CG2 3.69Å; T72-V88 PolarHBondContact N-O 2.75Å; T72-V88 PolarHBondContact O-N 3.35Å
73V97.9Very high94.7Very high14 Ų1466.1 Ų66.19%0.08534%0.344CS..EExtended strand (participates in β ladder)trans-125.2110.2169.2-177.20000107F85 T86 V87 I109 M113V73-F85 HydrophobicContact CG1-CD2 3.94Å; V73-T86 CarbonylContact C-O 3.54Å; V73-T86 WeakPolarHBondContact CA-O 3.29Å; V73-V87 HydrophobicContact CG2-CG2 4.33Å; V73-I109 HydrophobicContact CG2-CG2 3.84Å; V73-M113 HydrophobicContact CG2-CE 3.97Å; V73-M113 HydrophobicContact CG2-SD 4.28Å
74D96.3Very high95.3Very high72 Ų7265.8 Ų65.839%0.38534%0.342SS..EExtended strand (participates in β ladder)trans-107.8122.4-172.3-61-26.2000109.9T72 V76 F85 T86T72-D74 VanDerWaalsContact CG2-OD1 3.29Å; T72-D74 WeakPolarHBondContact CG2-OD1 3.36Å; T72-D74 WeakPolarHBondContact CG2-OD2 3.39Å; T72-D74 PolarHBondContact OG1-OD1 3.28Å; D74-V76 PolarHBondContact O-N 2.94Å; D74-F85 CarbonylContact O-C 3.45Å; D74-F85 WeakPolarHBondContact O-CA 3.44Å; D74-F85 VanDerWaalsContact O-CB 3.29Å; D74-F85 WeakPolarHBondContact O-CB 3.32Å; D74-T86 PolarHBondContact N-O 2.68Å; D74-T86 PolarHBondContact O-N 3.45Å
75C90.3Very high95.5Very high63 Ų6363.2 Ų63.243%0.42633%0.33SS..EExtended strand (participates in β ladder)trans-79.7113.1172.7-174.50000108.5
76V88.8Confident95.6Very high99 Ų9963.6 Ų63.660%0.633%0.332SS*.EExtended strand (participates in β ladder)trans-91.5-47.6-171.4-178.90000111.2D74 Y84D74-V76 PolarHBondContact O-N 2.94Å; V76-Y84 PolarHBondContact N-O 3.4Å
77E92.4Very high95.7Very high90 Ų9060.2 Ų60.242%0.42132%0.317SS..EExtended strand (participates in β ladder)trans-152.7146.9-171.6-167-178.7-175.800111.4K79 Y84E77-K79 HydrophobicContact CG-CB 4.18Å; E77-K79 WeakPolarHBondContact OE1-CD 3.42Å; E77-Y84 HydrophobicContact CB-CD2 4.32Å; E77-Y84 PolarHBondContact N-O 2.89Å; E77-Y84 PolarHBondContact O-N 3.05Å
78R93.9Very high95.6Very high139 Ų13960.8 Ų60.853%0.52532%0.321SS..EExtended strand (participates in β ladder)trans-116.9110.8164.5-59.2-174.7177.9-101.8-2.5107.5V83R78-V83 HydrophobicContact CG-CG2 4.2Å
79K91.4Very high95.6Very high130 Ų13058.9 Ų58.957%0.56530%0.302SS*.EExtended strand (participates in β ladder)trans-134119.1-175.9-175.2176.7-174.1166.30110.9E77 K81 Y82 Y84E77-K79 HydrophobicContact CG-CB 4.18Å; E77-K79 WeakPolarHBondContact OE1-CD 3.42Å; K79-K81 PolarHBondContact O-N 3.01Å; K79-Y82 PolarHBondContact N-O 3.5Å; K79-Y82 PolarHBondContact O-N 2.79Å; K79-Y82 VanDerWaalsContact O-N 3.11Å; K79-Y84 HydrophobicContact CB-CE2 4.16Å
80G92.5Very high95.6Very high73 Ų7359.3 Ų59.375%0.75331%0.308SS*.THydrogen-bonded Turntrans55.6-128.6-173.400000110.2Y82G80-Y82 VanDerWaalsContact C-N 3.31Å; G80-Y82 PolarHBondContact O-N 3.31Å
81K94.1Very high95.4Very high146 Ų14666.3 Ų66.364%0.63534%0.341SS*.THydrogen-bonded Turntrans-81.9-2.3179.969.3-177.7-179.1179.60115K79 P100 Q101K79-K81 PolarHBondContact O-N 3.01Å; K81-P100 CarbonylContact O-C 3.59Å; K81-P100 VanDerWaalsContact O-CA 3.3Å; K81-P100 WeakPolarHBondContact O-CA 3.43Å; K81-Q101 PolarHBondContact O-N 2.88Å
82Y96.6Very high95.2Very high53 Ų5362.1 Ų62.121%0.20834%0.338CS..EExtended strand (participates in β ladder)trans-111.6142.5-171.3-69.5-79.4000112.8K79 G80 R98 C99K79-Y82 PolarHBondContact N-O 3.5Å; K79-Y82 PolarHBondContact O-N 2.79Å; K79-Y82 VanDerWaalsContact O-N 3.11Å; G80-Y82 VanDerWaalsContact C-N 3.31Å; G80-Y82 PolarHBondContact O-N 3.31Å; Y82-R98 HydrophobicContact CD1-CG 4.33Å; Y82-C99 VanDerWaalsContact CA-O 3.31Å; Y82-C99 WeakPolarHBondContact CA-O 3.32Å; Y82-C99 WeakPolarHBondContact CD1-O 3.27Å
83V96.8Very high95.1Very high0 Ų063.4 Ų63.40%034%0.34CS..EExtended strand (participates in β ladder)trans-101.8133163177.40000107.9R78 R98 C99 Q101R78-V83 HydrophobicContact CG-CG2 4.2Å; V83-R98 WeakPolarHBondContact O-CA 3.4Å; V83-R98 WeakPolarHBondContact O-CB 3.49Å; V83-C99 PolarHBondContact N-O 2.91Å; V83-C99 PolarHBondContact O-N 2.76Å; V83-C99 VanDerWaalsContact O-N 3.12Å; V83-Q101 HydrophobicContact CG2-CB 3.91Å; V83-Q101 HydrophobicContact CG2-CG 3.93Å
84Y97.9Very high95Very high47 Ų4768.6 Ų68.618%0.18436%0.363CS..EExtended strand (participates in β ladder)trans-109.5132.1175.3-63.3-99.3000109W25 V76 E77 K79 F97 R98W25-Y84 AromaticContact CH2-CD1 3.88Å; W25-Y84 HydrophobicContact CH2-CD1 3.88Å; W25-Y84 HydrophobicContact CH2-CE1 4.2Å; W25-Y84 AromaticContact CZ2-CD1 3.75Å; W25-Y84 HydrophobicContact CZ2-CD1 3.75Å; W25-Y84 AromaticContact CZ2-CE1 3.66Å; W25-Y84 HydrophobicContact CZ2-CE1 3.66Å; V76-Y84 PolarHBondContact N-O 3.4Å; E77-Y84 HydrophobicContact CB-CD2 4.32Å; E77-Y84 PolarHBondContact N-O 2.89Å; E77-Y84 PolarHBondContact O-N 3.05Å; K79-Y84 HydrophobicContact CB-CE2 4.16Å; Y84-F97 WeakPolarHBondContact CA-O 3.29Å; Y84-R98 HydrophobicContact CD1-CB 3.73Å; Y84-R98 HydrophobicContact CE1-CB 3.86Å; Y84-R98 VanDerWaalsContact CE1-CD 3.47Å; Y84-R98 HydrophobicContact CE1-CG 4.28Å; Y84-R98 HydrophobicContact CG-CB 4.23Å
85F98.4Very high94.9Very high1 Ų165.2 Ų65.20%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-147.6155.7-179.966.6-85.4000111.6L14 V73 D74 V87 F97 W105 N106 I109L14-F85 HydrophobicContact CD1-CE1 3.88Å; L14-F85 HydrophobicContact CD1-CZ 3.8Å; L14-F85 HydrophobicContact CD2-CZ 3.96Å; L14-F85 HydrophobicContact CG-CZ 4.47Å; V73-F85 HydrophobicContact CG1-CD2 3.94Å; D74-F85 CarbonylContact O-C 3.45Å; D74-F85 WeakPolarHBondContact O-CA 3.44Å; D74-F85 VanDerWaalsContact O-CB 3.29Å; D74-F85 WeakPolarHBondContact O-CB 3.32Å; F85-V87 HydrophobicContact CD2-CG2 4.5Å; F85-V87 HydrophobicContact CE2-CG2 4.35Å; F85-F97 HydrophobicContact CD1-CB 4.04Å; F85-F97 HydrophobicContact CD2-CB 4.04Å; F85-F97 HydrophobicContact CD2-CD2 4.27Å; F85-F97 HydrophobicContact CE1-CB 3.59Å; F85-F97 HydrophobicContact CE2-CB 3.59Å; F85-F97 AromaticContact CE2-CD2 3.74Å; F85-F97 HydrophobicContact CE2-CD2 3.74Å; F85-F97 AromaticContact CE2-CG 3.91Å; F85-F97 HydrophobicContact CE2-CG 3.91Å; F85-F97 HydrophobicContact CG-CB 4.27Å; F85-F97 HydrophobicContact CZ-CB 3.36Å; F85-F97 HydrophobicContact CZ-CD2 4.26Å; F85-F97 AromaticContact CZ-CG 3.95Å; F85-F97 HydrophobicContact CZ-CG 3.95Å; F85-F97 PolarHBondContact N-O 3Å; F85-F97 PolarHBondContact O-N 2.87Å; F85-W105 HydrophobicContact CE1-CB 4.22Å; F85-W105 HydrophobicContact CZ-CB 4.1Å; F85-N106 HydrophobicContact CB-CB 3.97Å; F85-N106 HydrophobicContact CD1-CB 3.78Å; F85-N106 HydrophobicContact CD2-CB 4.07Å; F85-N106 HydrophobicContact CE1-CB 4.2Å; F85-N106 HydrophobicContact CE2-CB 4.47Å; F85-N106 HydrophobicContact CG-CB 3.68Å; F85-I109 HydrophobicContact CE2-CD1 3.88Å; F85-I109 HydrophobicContact CZ-CD1 4.05Å
86T98.2Very high95.3Very high13 Ų1363.4 Ų63.48%0.0833%0.331CS..EExtended strand (participates in β ladder)trans-119.7132.1-177.7-59.10000109.5V73 D74 V88 E94 D96V73-T86 CarbonylContact C-O 3.54Å; V73-T86 WeakPolarHBondContact CA-O 3.29Å; D74-T86 PolarHBondContact N-O 2.68Å; D74-T86 PolarHBondContact O-N 3.45Å; T86-V88 HydrophobicContact CG2-CG2 4.09Å; T86-E94 HydrophobicContact CG2-CB 3.82Å; T86-E94 HydrophobicContact CG2-CG 4.24Å; T86-D96 VanDerWaalsContact CB-OD1 3.32Å; T86-D96 WeakPolarHBondContact CB-OD1 3.48Å; T86-D96 WeakPolarHBondContact CG2-OD1 3.46Å; T86-D96 PolarHBondContact OG1-OD1 2.92Å
87V98Very high95.7Very high1 Ų158.8 Ų58.81%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-96.3118.4166.5176.80000107.9M70 V73 F85 M89 I95 F97M70-V87 HydrophobicContact CE-CG1 3.91Å; M70-V87 HydrophobicContact CG-CG1 3.84Å; M70-V87 HydrophobicContact SD-CG1 3.76Å; V73-V87 HydrophobicContact CG2-CG2 4.33Å; F85-V87 HydrophobicContact CD2-CG2 4.5Å; F85-V87 HydrophobicContact CE2-CG2 4.35Å; V87-M89 HydrophobicContact CG1-SD 3.85Å; V87-I95 PolarHBondContact N-O 2.68Å; V87-I95 PolarHBondContact O-N 3.36Å; V87-F97 HydrophobicContact CB-CE2 4.11Å; V87-F97 HydrophobicContact CG2-CD2 3.92Å; V87-F97 HydrophobicContact CG2-CE2 3.68Å
88V97.3Very high95.9Very high14 Ų1456.8 Ų56.89%0.08529%0.291CS..EExtended strand (participates in β ladder)trans-97.8121.1177.1-174.70000108.3K71 T72 T86 E94K71-V88 WeakPolarHBondContact CA-O 3.15Å; K71-V88 HydrophobicContact CB-CB 4.41Å; K71-V88 HydrophobicContact CB-CG1 4.26Å; K71-V88 WeakPolarHBondContact CB-O 3.34Å; K71-V88 HydrophobicContact CD-CG1 4.24Å; K71-V88 PolarHBondContact N-O 2.59Å; T72-V88 HydrophobicContact CG2-CB 3.76Å; T72-V88 HydrophobicContact CG2-CG2 3.69Å; T72-V88 PolarHBondContact N-O 2.75Å; T72-V88 PolarHBondContact O-N 3.35Å; T86-V88 HydrophobicContact CG2-CG2 4.09Å; V88-E94 HydrophobicContact CG1-CG 4.4Å; V88-E94 HydrophobicContact CG2-CG 4.22Å
89M96.9Very high96.1Very high14 Ų1450.2 Ų50.27%0.06927%0.267CS..EExtended strand (participates in β ladder)trans-83.6159.6177.2-52.4-57.4-69.600110.9L65 N69 M70 V87 E91 G92 K93 I95L65-M89 HydrophobicContact CD2-CE 4.45Å; N69-M89 HydrophobicContact CB-CE 3.83Å; N69-M89 CarbonylContact O-C 3.6Å; N69-M89 VanDerWaalsContact O-CA 3.22Å; N69-M89 WeakPolarHBondContact O-CA 3.19Å; N69-M89 WeakPolarHBondContact O-CE 3.36Å; M70-M89 HydrophobicContact CG-CE 4.34Å; M70-M89 HydrophobicContact CG-SD 4.05Å; V87-M89 HydrophobicContact CG1-SD 3.85Å; M89-E91 HydrophobicContact CB-CG 3.96Å; M89-E91 PolarHBondContact O-N 2.88Å; M89-G92 PolarHBondContact O-N 2.86Å; M89-K93 HydrophobicContact CB-CB 4.13Å; M89-K93 WeakPolarHBondContact CB-O 3.31Å; M89-K93 HydrophobicContact CG-CB 4.16Å; M89-K93 HydrophobicContact CG-CG 4.48Å; M89-K93 WeakPolarHBondContact CG-O 3.41Å; M89-K93 PolarHBondContact N-O 2.96Å; M89-I95 HydrophobicContact CG-CD1 4.29Å; M89-I95 HydrophobicContact SD-CD1 4.3Å
90T96.8Very high96.3Very high89 Ų8946.4 Ų46.455%0.54626%0.255SS..THydrogen-bonded Turntrans-62.5-29.6177.848.10000112.9N69 G92N69-T90 PolarHBondContact O-N 2.98Å; N69-T90 PolarHBondContact O-OG1 3.34Å; T90-G92 PolarHBondContact O-N 3.49Å
91E94.8Very high96.3Very high149 Ų14947.6 Ų47.670%0.69624%0.241SC*.THydrogen-bonded Turntrans-742.6173.464.9-178.7-170.200113.9M89 K93M89-E91 HydrophobicContact CB-CG 3.96Å; M89-E91 PolarHBondContact O-N 2.88Å; E91-K93 VanDerWaalsContact C-N 3.27Å; E91-K93 HydrophobicContact CG-CB 3.77Å; E91-K93 PolarHBondContact O-N 2.96Å; E91-K93 WeakPolarHBondContact OE1-CB 3.37Å; E91-K93 VanDerWaalsContact OE1-CD 3.27Å; E91-K93 WeakPolarHBondContact OE1-CD 3.32Å
92G92.4Very high96.3Very high54 Ų5447.5 Ų47.556%0.55725%0.248SC*.SBendtrans82.7-1.7-177.700000114.4M89 T90M89-G92 PolarHBondContact O-N 2.86Å; T90-G92 PolarHBondContact O-N 3.49Å
93K94.4Very high96.2Very high71 Ų7148.4 Ų48.431%0.30925%0.254SS..  trans-68.2131174.3178.4177.3-173.8159.20111.3M89 E91 I95M89-K93 HydrophobicContact CB-CB 4.13Å; M89-K93 WeakPolarHBondContact CB-O 3.31Å; M89-K93 HydrophobicContact CG-CB 4.16Å; M89-K93 HydrophobicContact CG-CG 4.48Å; M89-K93 WeakPolarHBondContact CG-O 3.41Å; M89-K93 PolarHBondContact N-O 2.96Å; E91-K93 VanDerWaalsContact C-N 3.27Å; E91-K93 HydrophobicContact CG-CB 3.77Å; E91-K93 PolarHBondContact O-N 2.96Å; E91-K93 WeakPolarHBondContact OE1-CB 3.37Å; E91-K93 VanDerWaalsContact OE1-CD 3.27Å; E91-K93 WeakPolarHBondContact OE1-CD 3.32Å; K93-I95 HydrophobicContact CG-CG1 4.34Å
94E95.7Very high96.1Very high122 Ų12249.5 Ų49.557%0.5727%0.265SS*.EExtended strand (participates in β ladder)trans-105.6139.2175.3-61.8-173.7172.800110.8T86 V88T86-E94 HydrophobicContact CG2-CB 3.82Å; T86-E94 HydrophobicContact CG2-CG 4.24Å; V88-E94 HydrophobicContact CG1-CG 4.4Å; V88-E94 HydrophobicContact CG2-CG 4.22Å
95I95.8Very high96.1Very high2 Ų247.2 Ų47.21%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-130.2113.4179.4-49.6175.8000108.7K16 L65 V87 M89 K93 F97K16-I95 HydrophobicContact CD-CG2 3.8Å; K16-I95 HydrophobicContact CG-CG2 3.72Å; L65-I95 HydrophobicContact CD1-CD1 3.96Å; L65-I95 HydrophobicContact CD2-CD1 3.52Å; L65-I95 HydrophobicContact CG-CD1 4.42Å; V87-I95 PolarHBondContact N-O 2.68Å; V87-I95 PolarHBondContact O-N 3.36Å; M89-I95 HydrophobicContact CG-CD1 4.29Å; M89-I95 HydrophobicContact SD-CD1 4.3Å; K93-I95 HydrophobicContact CG-CG1 4.34Å; I95-F97 HydrophobicContact CB-CE2 3.93Å; I95-F97 HydrophobicContact CB-CZ 4.39Å; I95-F97 HydrophobicContact CG2-CD2 4.28Å; I95-F97 HydrophobicContact CG2-CE1 4.32Å; I95-F97 HydrophobicContact CG2-CE2 3.5Å; I95-F97 VanDerWaalsContact CG2-CE2 3.5Å; I95-F97 HydrophobicContact CG2-CZ 3.53Å; I95-F97 WeakPolarHBondContact O-CD2 3.38Å
96D97.2Very high96Very high24 Ų2448.1 Ų48.113%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-89.7136.5-177.2-70.8-7.9000111.7K16 R17 W25 T86K16-D96 CarbonylContact C-O 3.51Å; K16-D96 WeakPolarHBondContact CA-O 3.43Å; R17-D96 HydrophobicContact CB-CB 3.9Å; R17-D96 IonicContact CZ-OD2 2.89Å; R17-D96 PolarHBondContact N-O 3.42Å; R17-D96 IonicContact NE-OD2 2.68Å; R17-D96 IonicContact NH1-OD2 3.22Å; R17-D96 PolarHBondContact NH1-OD2 3.34Å; R17-D96 IonicContact NH2-OD2 2.83Å; R17-D96 PolarHBondContact NH2-OD2 3.43Å; W25-D96 HydrophobicContact CH2-CB 4.15Å; W25-D96 HydrophobicContact CZ3-CB 4.4Å; T86-D96 VanDerWaalsContact CB-OD1 3.32Å; T86-D96 WeakPolarHBondContact CB-OD1 3.48Å; T86-D96 WeakPolarHBondContact CG2-OD1 3.46Å; T86-D96 PolarHBondContact OG1-OD1 2.92Å
97F97.8Very high96Very high3 Ų350.1 Ų50.11%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-129.9155.3179.3-65-80.5000111.3L14 E15 K16 L39 L65 Y84 F85 V87 I95L14-F97 HydrophobicContact CD1-CB 4.2Å; L14-F97 HydrophobicContact CD1-CD1 4.49Å; L14-F97 HydrophobicContact CD2-CB 4.31Å; L14-F97 HydrophobicContact CD2-CD1 3.48Å; L14-F97 VanDerWaalsContact CD2-CD1 3.48Å; L14-F97 HydrophobicContact CD2-CE1 3.87Å; L14-F97 HydrophobicContact CD2-CG 3.96Å; L14-F97 HydrophobicContact CG-CB 4.3Å; L14-F97 HydrophobicContact CG-CD1 3.7Å; L14-F97 HydrophobicContact CG-CE1 4.39Å; L14-F97 HydrophobicContact CG-CG 4.3Å; E15-F97 CarbonylContact O-C 3.59Å; E15-F97 WeakPolarHBondContact O-CA 3.47Å; K16-F97 HydrophobicContact CB-CD1 3.98Å; K16-F97 HydrophobicContact CB-CE1 3.8Å; K16-F97 HydrophobicContact CG-CD1 4.05Å; K16-F97 HydrophobicContact CG-CE1 3.63Å; K16-F97 HydrophobicContact CG-CZ 4.14Å; L39-F97 HydrophobicContact CD1-CE1 4.21Å; L39-F97 HydrophobicContact CD1-CZ 4.13Å; L39-F97 HydrophobicContact CD2-CE1 4.07Å; L39-F97 HydrophobicContact CD2-CZ 4.34Å; L65-F97 HydrophobicContact CD1-CE2 4.15Å; L65-F97 HydrophobicContact CD1-CZ 3.81Å; Y84-F97 WeakPolarHBondContact CA-O 3.29Å; F85-F97 HydrophobicContact CD1-CB 4.04Å; F85-F97 HydrophobicContact CD2-CB 4.04Å; F85-F97 HydrophobicContact CD2-CD2 4.27Å; F85-F97 HydrophobicContact CE1-CB 3.59Å; F85-F97 HydrophobicContact CE2-CB 3.59Å; F85-F97 AromaticContact CE2-CD2 3.74Å; F85-F97 HydrophobicContact CE2-CD2 3.74Å; F85-F97 AromaticContact CE2-CG 3.91Å; F85-F97 HydrophobicContact CE2-CG 3.91Å; F85-F97 HydrophobicContact CG-CB 4.27Å; F85-F97 HydrophobicContact CZ-CB 3.36Å; F85-F97 HydrophobicContact CZ-CD2 4.26Å; F85-F97 AromaticContact CZ-CG 3.95Å; F85-F97 HydrophobicContact CZ-CG 3.95Å; F85-F97 PolarHBondContact N-O 3Å; F85-F97 PolarHBondContact O-N 2.87Å; V87-F97 HydrophobicContact CB-CE2 4.11Å; V87-F97 HydrophobicContact CG2-CD2 3.92Å; V87-F97 HydrophobicContact CG2-CE2 3.68Å; I95-F97 HydrophobicContact CB-CE2 3.93Å; I95-F97 HydrophobicContact CB-CZ 4.39Å; I95-F97 HydrophobicContact CG2-CD2 4.28Å; I95-F97 HydrophobicContact CG2-CE1 4.32Å; I95-F97 HydrophobicContact CG2-CE2 3.5Å; I95-F97 VanDerWaalsContact CG2-CE2 3.5Å; I95-F97 HydrophobicContact CG2-CZ 3.53Å; I95-F97 WeakPolarHBondContact O-CD2 3.38Å
98R97.6Very high95.9Very high47 Ų4753.6 Ų53.618%0.17730%0.295CS..EExtended strand (participates in β ladder)trans-141.4151.4163.473.4-180-171.1-175.6-0111.9L14 E15 W25 Y82 V83 Y84L14-R98 WeakPolarHBondContact CD1-O 3.49Å; E15-R98 HydrophobicContact CB-CG 3.89Å; E15-R98 PolarHBondContact N-O 2.96Å; E15-R98 VanDerWaalsContact N-O 3.09Å; E15-R98 PolarHBondContact O-N 3.34Å; E15-R98 IonicContact OE2-CZ 2.77Å; E15-R98 VanDerWaalsContact OE2-CZ 3.22Å; E15-R98 IonicContact OE2-NE 3.5Å; E15-R98 PolarHBondContact OE2-NE 3.31Å; E15-R98 IonicContact OE2-NH2 3.8Å; E15-R98 PolarHBondContact OE2-NH2 3.13Å; W25-R98 HydrophobicContact CD2-CG 3.9Å; W25-R98 HydrophobicContact CE3-CB 4.32Å; W25-R98 HydrophobicContact CE3-CG 3.67Å; W25-R98 HydrophobicContact CG-CG 4.49Å; W25-R98 HydrophobicContact CH2-CB 4.28Å; W25-R98 HydrophobicContact CH2-CG 4.39Å; W25-R98 HydrophobicContact CZ3-CB 4.06Å; W25-R98 HydrophobicContact CZ3-CG 3.93Å; Y82-R98 HydrophobicContact CD1-CG 4.33Å; V83-R98 WeakPolarHBondContact O-CA 3.4Å; V83-R98 WeakPolarHBondContact O-CB 3.49Å; Y84-R98 HydrophobicContact CD1-CB 3.73Å; Y84-R98 HydrophobicContact CE1-CB 3.86Å; Y84-R98 VanDerWaalsContact CE1-CD 3.47Å; Y84-R98 HydrophobicContact CE1-CG 4.28Å; Y84-R98 HydrophobicContact CG-CB 4.23Å
99C97Very high96Very high2 Ų253 Ų531%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-147.2162.9173.562.80000111L14 Y82 V83 E103 W105L14-C99 HydrophobicContact CD1-CB 3.73Å; Y82-C99 VanDerWaalsContact CA-O 3.31Å; Y82-C99 WeakPolarHBondContact CA-O 3.32Å; Y82-C99 WeakPolarHBondContact CD1-O 3.27Å; V83-C99 PolarHBondContact N-O 2.91Å; V83-C99 PolarHBondContact O-N 2.76Å; V83-C99 VanDerWaalsContact O-N 3.12Å; C99-E103 HydrophobicContact CB-CB 4.28Å; C99-W105 HydrophobicContact CB-CG 4.49Å
100P96.4Very high96Very high49 Ų4954.6 Ų54.632%0.31830%0.302SS..EExtended strand (participates in β ladder)trans-50.5145.5162.7-25.835.9000111.7K81 D102 E103K81-P100 CarbonylContact O-C 3.59Å; K81-P100 VanDerWaalsContact O-CA 3.3Å; K81-P100 WeakPolarHBondContact O-CA 3.43Å; P100-D102 VanDerWaalsContact C-N 3.31Å; P100-D102 WeakPolarHBondContact CB-OD1 3.47Å; P100-D102 PolarHBondContact O-N 3.18Å; P100-E103 HydrophobicContact CB-CG 4.05Å; P100-E103 HydrophobicContact CG-CG 4.24Å; P100-E103 WeakPolarHBondContact O-CB 3.41Å; P100-E103 PolarHBondContact O-N 3.23Å
101Q92.3Very high96.1Very high98 Ų9854.4 Ų54.446%0.45830%0.298SS..G310 helixtrans-64.4-35.3-173.1176.6172.2-7.700113.7K81 V83 E103K81-Q101 PolarHBondContact O-N 2.88Å; V83-Q101 HydrophobicContact CG2-CB 3.91Å; V83-Q101 HydrophobicContact CG2-CG 3.93Å; Q101-E103 PolarHBondContact O-N 3.25Å
102D93.4Very high96.3Very high144 Ų14447.6 Ų47.677%0.7727%0.266SS*.G310 helixtrans-70.8-15.2178.755.6-26.3000113.5P100P100-D102 VanDerWaalsContact C-N 3.31Å; P100-D102 WeakPolarHBondContact CB-OD1 3.47Å; P100-D102 PolarHBondContact O-N 3.18Å
103E95.4Very high96.5Very high72 Ų7245.6 Ų45.634%0.33624%0.242SC..G310 helixtrans-74.3-26.9177.5-73.5-68.4166.800113.8K10 C99 P100 Q101 W105K10-E103 WeakPolarHBondContact CE-O 3.32Å; K10-E103 PolarHBondContact NZ-O 2.85Å; K10-E103 IonicContact NZ-OE2 3.32Å; K10-E103 PolarHBondContact NZ-OE2 3Å; C99-E103 HydrophobicContact CB-CB 4.28Å; P100-E103 HydrophobicContact CB-CG 4.05Å; P100-E103 HydrophobicContact CG-CG 4.24Å; P100-E103 WeakPolarHBondContact O-CB 3.41Å; P100-E103 PolarHBondContact O-N 3.23Å; Q101-E103 PolarHBondContact O-N 3.25Å; E103-W105 PolarHBondContact O-N 3.24Å; E103-W105 VanDerWaalsContact O-N 3.09Å
104G94.6Very high96.7Very high23 Ų2345.3 Ų45.324%0.23725%0.246CC..  trans62.118174.600000116.3N106 A107 E108G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 3.26Å; G104-A107 PolarHBondContact O-N 2.91Å; G104-E108 PolarHBondContact O-N 2.88Å; G104-E108 VanDerWaalsContact O-N 3.12Å
105W97.6Very high96.8Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-51.9-44.8-175-85105.1000113.9K10 L13 L14 C30 L32 F85 C99 E103 A107 E108 I109K10-W105 HydrophobicContact CB-CH2 4.23Å; K10-W105 HydrophobicContact CB-CZ3 4.17Å; K10-W105 HydrophobicContact CD-CD2 3.89Å; K10-W105 HydrophobicContact CD-CE3 3.91Å; K10-W105 HydrophobicContact CD-CH2 4.09Å; K10-W105 HydrophobicContact CD-CZ2 4.07Å; K10-W105 HydrophobicContact CD-CZ3 4.02Å; K10-W105 VanDerWaalsContact CE-CD2 3.5Å; K10-W105 HydrophobicContact CG-CE3 4.43Å; K10-W105 HydrophobicContact CG-CH2 3.78Å; K10-W105 HydrophobicContact CG-CZ2 3.99Å; K10-W105 HydrophobicContact CG-CZ3 4.02Å; L13-W105 PolarHBondContact O-NE1 2.83Å; L14-W105 HydrophobicContact CD1-CB 4.16Å; L14-W105 HydrophobicContact CD1-CG 3.98Å; C30-W105 HydrophobicContact CB-CH2 3.8Å; C30-W105 HydrophobicContact CB-CZ2 4.21Å; C30-W105 HydrophobicContact CB-CZ3 4.24Å; L32-W105 HydrophobicContact CB-CZ3 4.11Å; F85-W105 HydrophobicContact CE1-CB 4.22Å; F85-W105 HydrophobicContact CZ-CB 4.1Å; C99-W105 HydrophobicContact CB-CG 4.49Å; E103-W105 PolarHBondContact O-N 3.24Å; E103-W105 VanDerWaalsContact O-N 3.09Å; W105-A107 VanDerWaalsContact C-N 3.3Å; W105-A107 PolarHBondContact O-N 2.84Å; W105-E108 PolarHBondContact O-N 3.04Å; W105-I109 HydrophobicContact CE3-CD1 4.25Å; W105-I109 HydrophobicContact CE3-CG1 4.38Å; W105-I109 WeakPolarHBondContact O-CB 3.47Å; W105-I109 WeakPolarHBondContact O-CD1 3.32Å; W105-I109 WeakPolarHBondContact O-CG1 3.5Å; W105-I109 PolarHBondContact O-N 3.3Å
106N96.9Very high96.9Very high19 Ų1944.5 Ų44.510%0.10224%0.241CC..Hα-helixtrans-61.4-39.6-179.268.1-64.8000112F85 G104 T110F85-N106 HydrophobicContact CB-CB 3.97Å; F85-N106 HydrophobicContact CD1-CB 3.78Å; F85-N106 HydrophobicContact CD2-CB 4.07Å; F85-N106 HydrophobicContact CE1-CB 4.2Å; F85-N106 HydrophobicContact CE2-CB 4.47Å; F85-N106 HydrophobicContact CG-CB 3.68Å; G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 3.26Å; N106-T110 VanDerWaalsContact O-CB 3.32Å; N106-T110 WeakPolarHBondContact O-CB 3.29Å; N106-T110 PolarHBondContact O-N 3.32Å; N106-T110 PolarHBondContact O-OG1 2.82Å
107A96.6Very high96.9Very high56 Ų5647 Ų4746%0.46325%0.251SS..Hα-helixtrans-69-44.8179.400000111.1G104 W105 T110 L111G104-A107 PolarHBondContact O-N 2.91Å; W105-A107 VanDerWaalsContact C-N 3.3Å; W105-A107 PolarHBondContact O-N 2.84Å; A107-T110 WeakPolarHBondContact O-CB 3.41Å; A107-T110 PolarHBondContact O-N 2.67Å; A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 PolarHBondContact O-N 3.3Å
108E97.6Very high96.9Very high73 Ų7351.4 Ų51.434%0.34127%0.274SS..Hα-helixtrans-63.7-45.7178.5-70.4-67.1173.900112.2K10 L32 G104 W105 T110 L111 Q112K10-E108 HydrophobicContact CD-CB 4.46Å; K10-E108 HydrophobicContact CD-CG 4.18Å; L32-E108 HydrophobicContact CD2-CB 3.74Å; G104-E108 PolarHBondContact O-N 2.88Å; G104-E108 VanDerWaalsContact O-N 3.12Å; W105-E108 PolarHBondContact O-N 3.04Å; E108-T110 VanDerWaalsContact C-N 3.3Å; E108-T110 PolarHBondContact O-N 2.98Å; E108-L111 PolarHBondContact O-N 3.42Å; E108-Q112 WeakPolarHBondContact O-CG 3.12Å; E108-Q112 PolarHBondContact O-N 3.35Å
109I98.3Very high96.9Very high2 Ų253 Ų531%0.0128%0.28CS..Hα-helixtrans-61.3-43.3176.3-62.9164.6000110L32 V37 F67 V73 F85 W105 Q112 M113L32-I109 HydrophobicContact CD1-CG1 4.13Å; V37-I109 HydrophobicContact CG2-CD1 4.19Å; V37-I109 HydrophobicContact CG2-CG1 3.93Å; V37-I109 HydrophobicContact CG2-CG2 4.03Å; F67-I109 HydrophobicContact CE1-CG2 4.18Å; V73-I109 HydrophobicContact CG2-CG2 3.84Å; F85-I109 HydrophobicContact CE2-CD1 3.88Å; F85-I109 HydrophobicContact CZ-CD1 4.05Å; W105-I109 HydrophobicContact CE3-CD1 4.25Å; W105-I109 HydrophobicContact CE3-CG1 4.38Å; W105-I109 WeakPolarHBondContact O-CB 3.47Å; W105-I109 WeakPolarHBondContact O-CD1 3.32Å; W105-I109 WeakPolarHBondContact O-CG1 3.5Å; W105-I109 PolarHBondContact O-N 3.3Å; I109-Q112 PolarHBondContact O-N 2.92Å; I109-M113 VanDerWaalsContact O-CB 3.31Å; I109-M113 WeakPolarHBondContact O-CB 3.42Å; I109-M113 PolarHBondContact O-N 3.43Å
110T98.3Very high96.9Very high48 Ų4857 Ų5729%0.29430%0.299SS..Hα-helixtrans-60.2-47.9177.7-59.70000111.1N106 A107 E108 Q112 M113 V114N106-T110 VanDerWaalsContact O-CB 3.32Å; N106-T110 WeakPolarHBondContact O-CB 3.29Å; N106-T110 PolarHBondContact O-N 3.32Å; N106-T110 PolarHBondContact O-OG1 2.82Å; A107-T110 WeakPolarHBondContact O-CB 3.41Å; A107-T110 PolarHBondContact O-N 2.67Å; E108-T110 VanDerWaalsContact C-N 3.3Å; E108-T110 PolarHBondContact O-N 2.98Å; T110-Q112 PolarHBondContact O-N 3.47Å; T110-M113 PolarHBondContact O-N 2.99Å; T110-V114 WeakPolarHBondContact O-CG2 3.19Å; T110-V114 PolarHBondContact O-N 2.99Å
111L98.1Very high96.9Very high85 Ų8557.2 Ų57.245%0.44531%0.305SS..Hα-helixtrans-60-47.6-179.9-179.360.5000111.2A107 E108 V114 Q115A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 PolarHBondContact O-N 3.3Å; E108-L111 PolarHBondContact O-N 3.42Å; L111-V114 PolarHBondContact O-N 3.08Å; L111-Q115 WeakPolarHBondContact O-CG 3.45Å; L111-Q115 PolarHBondContact O-N 3.18Å
112Q98.3Very high97.1Very high6 Ų657 Ų573%0.02831%0.306CS..Hα-helixtrans-67.3-38.3179.8-62.8-51-23.200112.9Y9 L32 F67 E108 I109 T110 V114 Q115 Y116Y9-Q112 HydrophobicContact CD2-CG 4.05Å; Y9-Q112 HydrophobicContact CG-CG 4.04Å; Y9-Q112 VanDerWaalsContact CG-NE2 3.26Å; L32-Q112 HydrophobicContact CD1-CB 4.15Å; L32-Q112 HydrophobicContact CD1-CG 4.13Å; L32-Q112 HydrophobicContact CD2-CG 3.75Å; L32-Q112 HydrophobicContact CG-CG 3.98Å; F67-Q112 HydrophobicContact CE2-CB 3.73Å; F67-Q112 HydrophobicContact CZ-CB 3.59Å; E108-Q112 WeakPolarHBondContact O-CG 3.12Å; E108-Q112 PolarHBondContact O-N 3.35Å; I109-Q112 PolarHBondContact O-N 2.92Å; T110-Q112 PolarHBondContact O-N 3.47Å; Q112-V114 PolarHBondContact O-N 2.98Å; Q112-Q115 PolarHBondContact O-N 2.93Å; Q112-Y116 WeakPolarHBondContact O-CB 3.43Å; Q112-Y116 PolarHBondContact O-N 3.34Å
113M98Very high97.2Very high11 Ų1154.8 Ų54.85%0.05429%0.293CS..Hα-helixtrans-61.4-44.4174.4-178-176.159.600111.4F67 M70 V73 I109 T110 Y116 K117F67-M113 HydrophobicContact CD1-CB 3.72Å; F67-M113 HydrophobicContact CD1-CG 4.03Å; F67-M113 HydrophobicContact CE1-CB 3.93Å; F67-M113 HydrophobicContact CG-CB 4.29Å; F67-M113 HydrophobicContact CG-CG 4.47Å; M70-M113 HydrophobicContact CB-SD 3.73Å; M70-M113 HydrophobicContact SD-SD 4.44Å; V73-M113 HydrophobicContact CG2-CE 3.97Å; V73-M113 HydrophobicContact CG2-SD 4.28Å; I109-M113 VanDerWaalsContact O-CB 3.31Å; I109-M113 WeakPolarHBondContact O-CB 3.42Å; I109-M113 PolarHBondContact O-N 3.43Å; T110-M113 PolarHBondContact O-N 2.99Å; M113-Y116 PolarHBondContact O-N 3.34Å; M113-K117 HydrophobicContact CG-CD 4.26Å; M113-K117 WeakPolarHBondContact O-CG 3.17Å; M113-K117 PolarHBondContact O-N 2.82Å
114V98.1Very high97.1Very high65 Ų6554 Ų5439%0.39430%0.299SS..Hα-helixtrans-63-45.7177.1169.40000110.6T110 L111 Q112 Y116 K117 N118T110-V114 WeakPolarHBondContact O-CG2 3.19Å; T110-V114 PolarHBondContact O-N 2.99Å; L111-V114 PolarHBondContact O-N 3.08Å; Q112-V114 PolarHBondContact O-N 2.98Å; V114-Y116 VanDerWaalsContact C-N 3.33Å; V114-Y116 PolarHBondContact O-N 3.47Å; V114-K117 PolarHBondContact O-N 3.22Å; V114-N118 WeakPolarHBondContact O-CB 3.39Å; V114-N118 VanDerWaalsContact O-CG 3.27Å; V114-N118 PolarHBondContact O-N 3.33Å
115Q97.8Very high97.1Very high73 Ų7357.7 Ų57.734%0.34132%0.317SS..Hα-helixtrans-59.7-43.9176.7-72-179.88.900111.7L111 Q112 N118 R119L111-Q115 WeakPolarHBondContact O-CG 3.45Å; L111-Q115 PolarHBondContact O-N 3.18Å; Q112-Q115 PolarHBondContact O-N 2.93Å; Q115-N118 PolarHBondContact O-N 3.11Å; Q115-R119 WeakPolarHBondContact O-CG 3.45Å; Q115-R119 PolarHBondContact O-N 2.82Å
116Y97.8Very high96.8Very high34 Ų3464.4 Ų64.413%0.13335%0.346CS..Hα-helixtrans-58.2-52.5175.2176.9-88.6000111.6E34 F67 A68 Q112 M113 V114 N118 R119 Q120E34-Y116 WeakPolarHBondContact O-CD2 3.21Å; F67-Y116 HydrophobicContact CB-CD1 3.53Å; F67-Y116 HydrophobicContact CB-CD2 4.25Å; F67-Y116 HydrophobicContact CB-CE1 4.03Å; F67-Y116 HydrophobicContact CB-CG 3.67Å; F67-Y116 HydrophobicContact CD2-CD2 4.23Å; F67-Y116 AromaticContact CD2-CG 3.99Å; F67-Y116 HydrophobicContact CD2-CG 3.99Å; F67-Y116 HydrophobicContact CG-CG 4.29Å; A68-Y116 HydrophobicContact CB-CE1 4.28Å; Q112-Y116 WeakPolarHBondContact O-CB 3.43Å; Q112-Y116 PolarHBondContact O-N 3.34Å; M113-Y116 PolarHBondContact O-N 3.34Å; V114-Y116 VanDerWaalsContact C-N 3.33Å; V114-Y116 PolarHBondContact O-N 3.47Å; Y116-N118 VanDerWaalsContact C-N 3.3Å; Y116-N118 PolarHBondContact O-N 2.94Å; Y116-R119 PolarHBondContact O-N 3.09Å; Y116-R119 VanDerWaalsContact O-N 3.13Å; Y116-Q120 HydrophobicContact CD1-CG 4.1Å; Y116-Q120 HydrophobicContact CE1-CG 3.64Å; Y116-Q120 HydrophobicContact CE2-CG 4.42Å; Y116-Q120 WeakPolarHBondContact O-CG 3.36Å; Y116-Q120 PolarHBondContact O-N 3.36Å
117K97.6Very high96.5Very high78 Ų7867 Ų6734%0.33937%0.365SS..Hα-helixtrans-60.8-38.8-179.5-72.6179.1177.6175.90112.1M70 K71 M113 V114 Q120 A121M70-K117 WeakPolarHBondContact O-CE 3.47Å; M70-K117 PolarHBondContact O-NZ 3.27Å; K71-K117 PolarHBondContact O-NZ 3.31Å; M113-K117 HydrophobicContact CG-CD 4.26Å; M113-K117 WeakPolarHBondContact O-CG 3.17Å; M113-K117 PolarHBondContact O-N 2.82Å; V114-K117 PolarHBondContact O-N 3.22Å; K117-Q120 PolarHBondContact O-N 2.77Å; K117-A121 WeakPolarHBondContact O-CB 3.43Å; K117-A121 PolarHBondContact O-N 3.32Å
118N97.9Very high96.2Very high94 Ų9467.9 Ų67.950%0.50337%0.366SS..Hα-helixtrans-64.2-43174.9-73.4-10.4000112.2V114 Q115 Y116 Q120 A121 I122V114-N118 WeakPolarHBondContact O-CB 3.39Å; V114-N118 VanDerWaalsContact O-CG 3.27Å; V114-N118 PolarHBondContact O-N 3.33Å; Q115-N118 PolarHBondContact O-N 3.11Å; Y116-N118 VanDerWaalsContact C-N 3.3Å; Y116-N118 PolarHBondContact O-N 2.94Å; N118-Q120 PolarHBondContact O-N 3.12Å; N118-A121 PolarHBondContact O-N 2.9Å; N118-I122 WeakPolarHBondContact O-CG1 3.4Å; N118-I122 PolarHBondContact O-N 3.38Å
119R96.8Very high95.6Very high81 Ų8172.5 Ų72.531%0.30638%0.38SS..Hα-helixtrans-59.6-46.1174.6-69.7-167.9-53.7-86.66111.1E34 Q115 Y116 A121 I122 L123E34-R119 PolarHBondContact O-NH2 3.12Å; Q115-R119 WeakPolarHBondContact O-CG 3.45Å; Q115-R119 PolarHBondContact O-N 2.82Å; Y116-R119 PolarHBondContact O-N 3.09Å; Y116-R119 VanDerWaalsContact O-N 3.13Å; R119-A121 PolarHBondContact O-N 3.06Å; R119-I122 PolarHBondContact O-N 3.21Å; R119-L123 WeakPolarHBondContact O-CG 3.38Å; R119-L123 PolarHBondContact O-N 2.89Å
120Q97Very high94.8Very high86 Ų8678.4 Ų78.440%0.40241%0.407SS..Hα-helixtrans-62.5-42.8178.3-63.8-53.6-39.500112.4Y116 K117 N118 I122 L123 A124Y116-Q120 HydrophobicContact CD1-CG 4.1Å; Y116-Q120 HydrophobicContact CE1-CG 3.64Å; Y116-Q120 HydrophobicContact CE2-CG 4.42Å; Y116-Q120 WeakPolarHBondContact O-CG 3.36Å; Y116-Q120 PolarHBondContact O-N 3.36Å; K117-Q120 PolarHBondContact O-N 2.77Å; N118-Q120 PolarHBondContact O-N 3.12Å; Q120-I122 PolarHBondContact O-N 3.09Å; Q120-L123 PolarHBondContact O-N 2.94Å; Q120-A124 WeakPolarHBondContact O-CB 3.47Å; Q120-A124 PolarHBondContact O-N 3.02Å
121A96.4Very high94.1Very high53 Ų5383 Ų8344%0.43842%0.423SS..Hα-helixtrans-60.8-44.9176.900000112.2K117 N118 R119 L123 A124 V125K117-A121 WeakPolarHBondContact O-CB 3.43Å; K117-A121 PolarHBondContact O-N 3.32Å; N118-A121 PolarHBondContact O-N 2.9Å; R119-A121 PolarHBondContact O-N 3.06Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.08Å; A121-A124 PolarHBondContact O-N 2.84Å; A121-V125 WeakPolarHBondContact O-CG2 3.46Å; A121-V125 PolarHBondContact O-N 2.79Å
122I96.1Very high93.1Very high94 Ų9484.7 Ų84.748%0.48243%0.429SS..Hα-helixtrans-60.9-44.3176.8-69.1166.7000111N118 R119 Q120 V125 K126N118-I122 WeakPolarHBondContact O-CG1 3.4Å; N118-I122 PolarHBondContact O-N 3.38Å; R119-I122 PolarHBondContact O-N 3.21Å; Q120-I122 PolarHBondContact O-N 3.09Å; I122-V125 PolarHBondContact O-N 3.42Å; I122-K126 HydrophobicContact CG2-CD 4.09Å; I122-K126 HydrophobicContact CG2-CG 4.5Å; I122-K126 WeakPolarHBondContact O-CG 3.3Å; I122-K126 PolarHBondContact O-N 3.43Å
123L94.9Very high92.1Very high98 Ų9889.4 Ų89.451%0.51345%0.451SS..Hα-helixtrans-63.7-43.3179-70.3172.9000111.8R119 Q120 A121 V125 K126 S127R119-L123 WeakPolarHBondContact O-CG 3.38Å; R119-L123 PolarHBondContact O-N 2.89Å; Q120-L123 PolarHBondContact O-N 2.94Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.08Å; L123-V125 PolarHBondContact O-N 2.89Å; L123-K126 PolarHBondContact O-N 2.78Å; L123-S127 WeakPolarHBondContact O-CB 3.25Å; L123-S127 PolarHBondContact O-N 3.39Å
124A93.9Very high91.1Very high56 Ų5694 Ų9446%0.46348%0.475SS..Hα-helixtrans-61.4-42.6177.100000112.2Q120 A121 S127 T128Q120-A124 WeakPolarHBondContact O-CB 3.47Å; Q120-A124 PolarHBondContact O-N 3.02Å; A121-A124 PolarHBondContact O-N 2.84Å; A124-S127 PolarHBondContact O-N 2.88Å; A124-T128 WeakPolarHBondContact O-CB 3.31Å; A124-T128 PolarHBondContact O-N 2.78Å; A124-T128 PolarHBondContact O-OG1 3.25Å
125V94.6Very high90Very high100 Ų10095.8 Ų95.861%0.60648%0.482SS*.Hα-helixtrans-64-46.5176.4171.40000111.1A121 I122 L123 S127 T128 R129A121-V125 WeakPolarHBondContact O-CG2 3.46Å; A121-V125 PolarHBondContact O-N 2.79Å; I122-V125 PolarHBondContact O-N 3.42Å; L123-V125 PolarHBondContact O-N 2.89Å; V125-S127 PolarHBondContact O-N 2.84Å; V125-T128 PolarHBondContact O-N 2.99Å; V125-R129 WeakPolarHBondContact O-CB 3.1Å; V125-R129 PolarHBondContact O-N 2.88Å
126K92.4Very high88.6Confident140 Ų14097.7 Ų97.761%0.60950%0.498SS*.Hα-helixtrans-60.7-45.3178-74.5178.3179-178.10111.9I122 L123 R129 Q130I122-K126 HydrophobicContact CG2-CD 4.09Å; I122-K126 HydrophobicContact CG2-CG 4.5Å; I122-K126 WeakPolarHBondContact O-CG 3.3Å; I122-K126 PolarHBondContact O-N 3.43Å; L123-K126 PolarHBondContact O-N 2.78Å; K126-R129 PolarHBondContact O-N 3.45Å; K126-Q130 WeakPolarHBondContact O-CB 3.13Å; K126-Q130 PolarHBondContact O-N 3.39Å
127S89.9Confident86.9Confident73 Ų73102.1 Ų102.151%0.5153%0.529SS..Hα-helixtrans-61.4-44.4177.9-178.60000111.9L123 A124 V125 R129 Q130 K131L123-S127 WeakPolarHBondContact O-CB 3.25Å; L123-S127 PolarHBondContact O-N 3.39Å; A124-S127 PolarHBondContact O-N 2.88Å; V125-S127 PolarHBondContact O-N 2.84Å; S127-R129 PolarHBondContact O-N 3.4Å; S127-Q130 PolarHBondContact O-N 2.73Å; S127-K131 PolarHBondContact O-N 2.68Å
128T89.4Confident84.8Confident76 Ų76105.5 Ų105.547%0.46655%0.546SS..Hα-helixtrans-62.6-45.1177.9-56.80000111.6A124 V125 Q130 K131 Q132A124-T128 WeakPolarHBondContact O-CB 3.31Å; A124-T128 PolarHBondContact O-N 2.78Å; A124-T128 PolarHBondContact O-OG1 3.25Å; V125-T128 PolarHBondContact O-N 2.99Å; T128-Q130 VanDerWaalsContact C-N 3.35Å; T128-Q130 PolarHBondContact O-N 2.83Å; T128-K131 PolarHBondContact O-N 3Å; T128-Q132 WeakPolarHBondContact O-CG 3.33Å; T128-Q132 PolarHBondContact O-N 3.15Å
129R86.1Confident82.5Confident170 Ų170108.6 Ų108.664%0.64256%0.559SS**Hα-helixtrans-62-41.2177.3-174.7180177.7-166.9-3112V125 K126 S127 Q132 Q133V125-R129 WeakPolarHBondContact O-CB 3.1Å; V125-R129 PolarHBondContact O-N 2.88Å; K126-R129 PolarHBondContact O-N 3.45Å; S127-R129 PolarHBondContact O-N 3.4Å; R129-Q132 PolarHBondContact O-N 2.95Å; R129-Q133 WeakPolarHBondContact O-CG 3.42Å; R129-Q133 PolarHBondContact O-N 3.22Å
130Q81.8Confident80.2Confident125 Ų125111.2 Ų111.258%0.58459%0.586SS**Hα-helixtrans-63.8-44176.5-173.4178.69.100111.4K126 S127 T128 Q132 Q133 L134K126-Q130 WeakPolarHBondContact O-CB 3.13Å; K126-Q130 PolarHBondContact O-N 3.39Å; S127-Q130 PolarHBondContact O-N 2.73Å; T128-Q130 VanDerWaalsContact C-N 3.35Å; T128-Q130 PolarHBondContact O-N 2.83Å; Q130-Q132 VanDerWaalsContact C-N 3.35Å; Q130-Q132 PolarHBondContact O-N 2.83Å; Q130-Q133 PolarHBondContact O-N 3.04Å; Q130-L134 HydrophobicContact CG-CD1 4.42Å; Q130-L134 WeakPolarHBondContact O-CG 3.2Å; Q130-L134 PolarHBondContact O-N 2.89Å
131K83.3Confident78.2Confident146 Ų146110.3 Ų110.364%0.63560%0.6SS**Hα-helixtrans-61.8-41.4176.9-168.6176.1-177.7178.60112S127 T128 L134 L135S127-K131 PolarHBondContact O-N 2.68Å; T128-K131 PolarHBondContact O-N 3Å; K131-L134 PolarHBondContact O-N 3.2Å; K131-L135 HydrophobicContact CG-CD1 4.44Å; K131-L135 WeakPolarHBondContact O-CG 3.28Å; K131-L135 PolarHBondContact O-N 2.97Å
132Q78Confident75.9Confident119 Ų119117 Ų11756%0.55662%0.622SS**Hα-helixtrans-63.7-42.6175.2-73175-6.800112.3T128 R129 Q130 L134 L135 V136T128-Q132 WeakPolarHBondContact O-CG 3.33Å; T128-Q132 PolarHBondContact O-N 3.15Å; R129-Q132 PolarHBondContact O-N 2.95Å; Q130-Q132 VanDerWaalsContact C-N 3.35Å; Q130-Q132 PolarHBondContact O-N 2.83Å; Q132-L134 PolarHBondContact O-N 2.81Å; Q132-L135 PolarHBondContact O-N 3.22Å; Q132-V136 VanDerWaalsContact O-CG2 3.32Å; Q132-V136 WeakPolarHBondContact O-CG2 3.32Å; Q132-V136 PolarHBondContact O-N 2.78Å
133Q76.2Confident73.5Confident106 Ų106121.7 Ų121.750%0.49564%0.64SS.*Hα-helixtrans-61.5-43.2176.5-73.1174.63200112R129 Q130 L135 V136 V137R129-Q133 WeakPolarHBondContact O-CG 3.42Å; R129-Q133 PolarHBondContact O-N 3.22Å; Q130-Q133 PolarHBondContact O-N 3.04Å; Q133-L135 PolarHBondContact O-N 3.48Å; Q133-V136 PolarHBondContact O-N 3.29Å; Q133-V137 WeakPolarHBondContact O-CG2 3.49Å; Q133-V137 PolarHBondContact O-N 2.93Å
134L77.4Confident71.2Confident108 Ų108123.3 Ų123.357%0.56565%0.654SS**Hα-helixtrans-61.1-44.5176-70.9167.8000111.8Q130 K131 Q132 V136 V137 Q138Q130-L134 HydrophobicContact CG-CD1 4.42Å; Q130-L134 WeakPolarHBondContact O-CG 3.2Å; Q130-L134 PolarHBondContact O-N 2.89Å; K131-L134 PolarHBondContact O-N 3.2Å; Q132-L134 PolarHBondContact O-N 2.81Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 PolarHBondContact O-N 2.77Å; L134-V137 PolarHBondContact O-N 3.21Å; L134-Q138 WeakPolarHBondContact O-CB 3.49Å; L134-Q138 PolarHBondContact O-N 2.76Å
135L74.4Confident68.8Low102 Ų102127 Ų12753%0.53467%0.67SS.*Hα-helixtrans-64.4-35.6177.6-70.6170.6000112.9K131 Q132 Q133 Q138K131-L135 HydrophobicContact CG-CD1 4.44Å; K131-L135 WeakPolarHBondContact O-CG 3.28Å; K131-L135 PolarHBondContact O-N 2.97Å; Q132-L135 PolarHBondContact O-N 3.22Å; Q133-L135 PolarHBondContact O-N 3.48Å; L135-Q138 PolarHBondContact O-N 3.42Å
136V67.9Low66.6Low113 Ų113133.5 Ų133.569%0.68568%0.684SS**Hα-helixtrans-69.4-38.6176.3171.80000111.5Q132 Q133 L134 Q138Q132-V136 VanDerWaalsContact O-CG2 3.32Å; Q132-V136 WeakPolarHBondContact O-CG2 3.32Å; Q132-V136 PolarHBondContact O-N 2.78Å; Q133-V136 PolarHBondContact O-N 3.29Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 PolarHBondContact O-N 2.77Å; V136-Q138 PolarHBondContact O-N 3.33Å
137V61.9Low64.5Low127 Ų127132.2 Ų132.277%0.7769%0.692SS**Hα-helixtrans-69.9-25.2176174.50000111.7Q133 L134Q133-V137 WeakPolarHBondContact O-CG2 3.49Å; Q133-V137 PolarHBondContact O-N 2.93Å; L134-V137 PolarHBondContact O-N 3.21Å
138Q54.8Low62.6Low149 Ų149133.9 Ų133.970%0.69670%0.704SS**THydrogen-bonded Turntrans-89.93.3-176.5-137.9163.832.700114.7L134 L135 V136 P140L134-Q138 WeakPolarHBondContact O-CB 3.49Å; L134-Q138 PolarHBondContact O-N 2.76Å; L135-Q138 PolarHBondContact O-N 3.42Å; V136-Q138 PolarHBondContact O-N 3.33Å; Q138-P140 WeakPolarHBondContact O-CD 3.45Å
139M49.1Very low61.1Low159 Ų159136 Ų13678%0.78372%0.719SS**  trans-83.1105171.4-76.9-117.6158.100110.6G141M139-G141 PolarHBondContact O-N 3.06Å
140P49.4Very low59.4Low135 Ų135133.7 Ų133.788%0.87773%0.729SS**  trans-85.9106.7173.81012.1000107.9Q138Q138-P140 WeakPolarHBondContact O-CD 3.45Å
141G55Low57.9Low68 Ų68134.3 Ų134.370%0.70174%0.741SS**  trans107.774.4160.200000116.7M139M139-G141 PolarHBondContact O-N 3.06Å
142Q48.4Very low56.6Low192 Ų192135.2 Ų135.290%0.89778%0.776SS**  trans-10491138.2-89.3-178-33.100107.9T144Q142-T144 VanDerWaalsContact C-N 3.34Å; Q142-T144 PolarHBondContact O-N 2.67Å
143K44.7Very low55.5Low194 Ų194136.1 Ų136.184%0.84379%0.787SS**  trans-62.5101.7161-69.1-178.9-179.6178.80106.3V145K143-V145 PolarHBondContact O-N 3.33Å
144T46.6Very low54.4Low132 Ų132137.6 Ų137.681%0.8180%0.802SS**  trans-56.6103.9163.534.80000107.9Q142 R146Q142-T144 VanDerWaalsContact C-N 3.34Å; Q142-T144 PolarHBondContact O-N 2.67Å; T144-R146 PolarHBondContact O-N 2.99Å
145V44.6Very low53.1Low134 Ų134139.3 Ų139.381%0.81282%0.815SS**  trans-63105.9168.3174.60000106.5K143 S147K143-V145 PolarHBondContact O-N 3.33Å; V145-S147 PolarHBondContact O-N 2.95Å; V145-S147 VanDerWaalsContact O-N 3.14Å
146R48Very low51.9Low236 Ų236141.5 Ų141.589%0.89183%0.832SS**  trans-63108.8165.6-97-177.2179.4-145.50107.3T144 S148T144-R146 PolarHBondContact O-N 2.99Å; R146-S148 PolarHBondContact O-N 3.05Å
147S47.3Very low50.9Low112 Ų112143.3 Ų143.378%0.78384%0.841SS**  trans-70.4112.4163.551.50000108.6V145V145-S147 PolarHBondContact O-N 2.95Å; V145-S147 VanDerWaalsContact O-N 3.14Å
148S51.3Low50.1Low108 Ų108144.3 Ų144.376%0.75585%0.846SS**PPolyproline II helixtrans-63.6147.2169.6-51.60000110.6R146R146-S148 PolarHBondContact O-N 3.05Å
149P57.1Low49.8Very low121 Ų121144 Ų14479%0.78686%0.857SS**PPolyproline II helixtrans-77.6126.1174.931.2-28.5000109.3
150S50.1Low49.9Very low122 Ų122142.8 Ų142.885%0.85386%0.862SS**PPolyproline II helixtrans-81.1117.8170.6-174.50000108.2
151V51.3Low49.9Very low137 Ų137143.5 Ų143.583%0.8386%0.861SS**PPolyproline II helixtrans-86.5126167.6176.30000107.5
152A54.5Low49.4Very low166 Ų166150.4 Ų150.4100%1.37288%0.876SS**  trans-148.50155.700000107.9

Retrieved 152 of 152 residues in 25.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).