A0A096NAV2_PAPAN Loading...

Eukaryotic translation initiation factor 4E family member 3

AlphaFold DB , UniProt , Accession A0A096NAV2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 118 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
1M65.4Low64Low72 Ų72102.8 Ų102.836%0.35550%0.499SS..  0144.30-77.1-61.5-145.500108.6R5 P7 I56 W72M1-R5 WeakPolarHBondContact CB-O 3.44Å; M1-P7 HydrophobicContact CE-CB 3.58Å; M1-P7 HydrophobicContact CG-CB 3.7Å; M1-P7 HydrophobicContact CG-CG 4.09Å; M1-P7 HydrophobicContact SD-CB 4.32Å; M1-I56 HydrophobicContact CE-CD1 4.35Å; M1-I56 HydrophobicContact SD-CG1 4.45Å; M1-W72 HydrophobicContact CE-CB 4.23Å; M1-W72 HydrophobicContact CE-CD2 3.79Å; M1-W72 HydrophobicContact CE-CE3 3.84Å; M1-W72 HydrophobicContact CE-CG 3.96Å
2R62.3Low64.2Low130 Ų130109 Ų10949%0.49153%0.526SS..  trans-79.8133.2179.2-161.8175.8-165.5-141.15.1110.8K43 E54 I56R2-K43 VanDerWaalsContact NH2-CE 3.29Å; R2-E54 IonicContact CZ-OE1 2.66Å; R2-E54 IonicContact NE-OE1 3.43Å; R2-E54 IonicContact NH1-OE1 3.75Å; R2-E54 PolarHBondContact NH1-OE1 3.38Å; R2-E54 IonicContact NH1-OE2 2.77Å; R2-I56 PolarHBondContact N-O 3.16Å
3G64.8Low64.1Low74 Ų74104.9 Ų104.976%0.76352%0.516SS*.THydrogen-bonded Turntrans68.5-147.3179.200000113.3R5G3-R5 VanDerWaalsContact C-N 3.25Å; G3-R5 PolarHBondContact O-N 3.33Å
4E63.1Low64.4Low197 Ų19797.4 Ų97.492%0.92148%0.479SS*.THydrogen-bonded Turntrans-81.6-0.9-179.5-62.9-176.717100113.7R6E4-R6 PolarHBondContact O-N 2.89Å
5R64.3Low64.7Low95 Ų9592 Ų9236%0.35846%0.456SS..  trans-65.9127.1-177.2-69.9-176.1180165.10.3110.8M1 G3M1-R5 WeakPolarHBondContact CB-O 3.44Å; G3-R5 VanDerWaalsContact C-N 3.25Å; G3-R5 PolarHBondContact O-N 3.33Å
6R65.3Low65.4Low161 Ų16195.9 Ų95.961%0.60847%0.47SS*.  trans-83.8147.4172.3-63.9-179.1179.4-168.10.5109.6E4 L8 N14E4-R6 PolarHBondContact O-N 2.89Å; R6-L8 HydrophobicContact CB-CB 4.37Å; R6-L8 HydrophobicContact CB-CD1 3.92Å; R6-L8 HydrophobicContact CB-CG 3.97Å; R6-L8 PolarHBondContact O-N 3.19Å; R6-N14 PolarHBondContact O-ND2 3.17Å
7P61.7Low66.4Low72 Ų7290.4 Ų90.447%0.46844%0.443SS..SBendtrans-75.253.4170.934.2-34.2000112.1M1M1-P7 HydrophobicContact CE-CB 3.58Å; M1-P7 HydrophobicContact CG-CB 3.7Å; M1-P7 HydrophobicContact CG-CG 4.09Å; M1-P7 HydrophobicContact SD-CB 4.32Å
8L65.8Low67.5Low67 Ų6785.3 Ų85.335%0.35142%0.418SS..  trans-113125.5175.5-64.7173.6000106.8R6 E10 E11 N14R6-L8 HydrophobicContact CB-CB 4.37Å; R6-L8 HydrophobicContact CB-CD1 3.92Å; R6-L8 HydrophobicContact CB-CG 3.97Å; R6-L8 PolarHBondContact O-N 3.19Å; L8-E10 PolarHBondContact O-N 2.93Å; L8-E11 HydrophobicContact CB-CG 3.95Å; L8-E11 PolarHBondContact O-N 3.11Å; L8-N14 PolarHBondContact O-ND2 3.46Å
9W64.2Low68.6Low59 Ų5981.2 Ų81.222%0.22340%0.398CS..THydrogen-bonded Turntrans-70.1-20.1175.753.7-92.1000111.6E11 W72 A110W9-E11 VanDerWaalsContact C-N 3.27Å; W9-E11 PolarHBondContact O-N 2.81Å; W9-W72 HydrophobicContact CB-CZ3 4.33Å; W9-A110 HydrophobicContact CH2-CB 3.83Å; W9-A110 WeakPolarHBondContact CH2-O 3.19Å; W9-A110 HydrophobicContact CZ2-CB 3.94Å; W9-A110 HydrophobicContact CZ3-CB 4.49Å; W9-A110 WeakPolarHBondContact CZ3-O 2.93Å
10E61.8Low69.7Low128 Ų12877.5 Ų77.560%0.59838%0.38SS*.THydrogen-bonded Turntrans-72.2-16.2176.6-65.2170.5166.500113.7L8 E12L8-E10 PolarHBondContact O-N 2.93Å; E10-E12 PolarHBondContact O-N 2.83Å
11E65.7Low70.6Confident76 Ų7674.4 Ų74.436%0.35537%0.366SS..SBendtrans-70124.9178-70.7-77.2173.700109.3L8 W9 S13 N14 A15L8-E11 HydrophobicContact CB-CG 3.95Å; L8-E11 PolarHBondContact O-N 3.11Å; W9-E11 VanDerWaalsContact C-N 3.27Å; W9-E11 PolarHBondContact O-N 2.81Å; E11-S13 PolarHBondContact O-N 3.34Å; E11-N14 HydrophobicContact CB-CB 4.46Å; E11-N14 WeakPolarHBondContact O-CA 3.38Å; E11-N14 PolarHBondContact O-N 2.97Å; E11-A15 PolarHBondContact O-N 3.1Å; E11-A15 VanDerWaalsContact O-N 3.14Å
12E65.5Low71.9Confident177 Ų17771 Ų7183%0.82735%0.349SS*.Hα-helixtrans-56.4-29.5180-165.1175.1-167.800112E10 N14 A15E10-E12 PolarHBondContact O-N 2.83Å; E12-N14 VanDerWaalsContact C-N 3.25Å; E12-N14 PolarHBondContact O-N 3.26Å; E12-A15 PolarHBondContact O-N 3.42Å
13S63.8Low73.3Confident56 Ų5668.8 Ų68.839%0.39234%0.343SS..Hα-helixtrans-67.7-19.3174.663.40000114.8E11E11-S13 PolarHBondContact O-N 3.34Å
14N68.3Low74.6Confident0 Ų065.3 Ų65.30%031%0.306CS..Hα-helixtrans-107.8-10.7178-62.9-29.5000112.7R6 L8 E11 E12 K16 G17 I56 H105R6-N14 PolarHBondContact O-ND2 3.17Å; L8-N14 PolarHBondContact O-ND2 3.46Å; E11-N14 HydrophobicContact CB-CB 4.46Å; E11-N14 WeakPolarHBondContact O-CA 3.38Å; E11-N14 PolarHBondContact O-N 2.97Å; E12-N14 VanDerWaalsContact C-N 3.25Å; E12-N14 PolarHBondContact O-N 3.26Å; N14-K16 VanDerWaalsContact C-N 3.29Å; N14-K16 PolarHBondContact O-N 3.24Å; N14-G17 PolarHBondContact O-N 3.02Å; N14-I56 WeakPolarHBondContact OD1-CD1 3.48Å; N14-H105 PolarHBondContact O-ND1 2.83Å
15A69.3Low76Confident16 Ų1657.4 Ų57.413%0.13227%0.272CS..Hα-helixtrans-60.5-34.8-172.300000113.7E11 E12 G17 F111E11-A15 PolarHBondContact O-N 3.1Å; E11-A15 VanDerWaalsContact O-N 3.14Å; E12-A15 PolarHBondContact O-N 3.42Å; A15-G17 PolarHBondContact O-N 3.4Å; A15-F111 HydrophobicContact CB-CE2 4.36Å
16K75.3Confident77.1Confident155 Ų15557.1 Ų57.167%0.67427%0.274SS*.THydrogen-bonded Turntrans-80.8-2.4178.6-60.2-176.7-179.6-179.30114N14 V74 V76N14-K16 VanDerWaalsContact C-N 3.29Å; N14-K16 PolarHBondContact O-N 3.24Å; K16-V74 CarbonylContact C-O 3.57Å; K16-V76 PolarHBondContact O-N 3.38Å
17G82.8Confident78.3Confident1 Ų155.7 Ų55.71%0.0128%0.278CS..  trans-93.7-163.4-178.300000113.2N14 A15 N73 V74 H105N14-G17 PolarHBondContact O-N 3.02Å; A15-G17 PolarHBondContact O-N 3.4Å; G17-N73 WeakPolarHBondContact CA-O 3.4Å; G17-V74 VanDerWaalsContact CA-O 3.27Å; G17-V74 WeakPolarHBondContact CA-O 3.27Å; G17-V74 PolarHBondContact N-O 3.2Å; G17-H105 PolarHBondContact O-N 2.79Å; G17-H105 VanDerWaalsContact O-N 3.08Å
18G86.5Confident79.6Confident0 Ų053.2 Ų53.20%026%0.263CS..EExtended strand (participates in β ladder)trans-161.2-165.5168.700000111.8N73 Y102 K103 H105G18-N73 PolarHBondContact N-O 2.96Å; G18-N73 PolarHBondContact N-OD1 3.01Å; G18-N73 PolarHBondContact O-N 3.48Å; G18-N73 VanDerWaalsContact O-N 3.09Å; G18-N73 PolarHBondContact O-OD1 3.35Å; G18-Y102 WeakPolarHBondContact CA-OH 3.41Å; G18-Y102 PolarHBondContact N-OH 3.05Å; G18-K103 VanDerWaalsContact CA-O 3.31Å; G18-K103 WeakPolarHBondContact CA-O 2.88Å; G18-H105 PolarHBondContact O-CE1 2.92Å
19V87.9Confident80.7Confident7 Ų750.8 Ų50.84%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-143.2124.3-173.962.50000111.2Q70 L71 W72 K103V19-Q70 HydrophobicContact CG2-CB 3.64Å; V19-Q70 HydrophobicContact CG2-CG 4.07Å; V19-L71 CarbonylContact C-O 3.39Å; V19-L71 VanDerWaalsContact CA-O 3.26Å; V19-L71 WeakPolarHBondContact CA-O 3.27Å; V19-W72 HydrophobicContact CG2-CD2 4.46Å; V19-K103 HydrophobicContact CG1-CB 4.14Å; V19-K103 PolarHBondContact N-O 3.34Å; V19-K103 PolarHBondContact O-N 3.24Å
20W89.4Confident81.9Confident6 Ų651.2 Ų51.22%0.02326%0.262CS..EExtended strand (participates in β ladder)trans-78.1121.9162.9-67.4-82.7000108.7M22 V55 Q70 L71 N73 V79 A82 V84 L85 Y102W20-M22 HydrophobicContact CB-CE 4.41Å; W20-V55 HydrophobicContact CZ3-CG2 4.47Å; W20-Q70 CarbonylContact O-C 3.6Å; W20-Q70 VanDerWaalsContact O-CA 3.24Å; W20-Q70 WeakPolarHBondContact O-CA 3.48Å; W20-L71 HydrophobicContact CB-CB 4.32Å; W20-L71 HydrophobicContact CE3-CB 4.22Å; W20-L71 HydrophobicContact CE3-CD2 4.07Å; W20-L71 HydrophobicContact CE3-CG 4.35Å; W20-L71 HydrophobicContact CZ3-CD2 4.44Å; W20-L71 PolarHBondContact N-O 3.49Å; W20-L71 PolarHBondContact O-N 2.88Å; W20-N73 HydrophobicContact CE3-CB 4.46Å; W20-N73 HydrophobicContact CH2-CB 3.87Å; W20-N73 HydrophobicContact CZ3-CB 3.52Å; W20-V79 HydrophobicContact CZ2-CG2 3.96Å; W20-A82 HydrophobicContact CH2-CB 4.36Å; W20-A82 HydrophobicContact CZ2-CB 4Å; W20-V84 HydrophobicContact CE3-CG1 4.44Å; W20-V84 HydrophobicContact CH2-CB 4.43Å; W20-V84 HydrophobicContact CH2-CG2 4.16Å; W20-V84 HydrophobicContact CZ3-CG1 4.3Å; W20-V84 HydrophobicContact CZ3-CG2 4.46Å; W20-L85 HydrophobicContact CB-CD2 4.47Å; W20-L85 HydrophobicContact CG-CD2 4.28Å; W20-Y102 AromaticContact CD1-CD2 3.5Å; W20-Y102 AromaticContact CD2-CD2 3.7Å; W20-Y102 HydrophobicContact CD2-CD2 3.7Å; W20-Y102 AromaticContact CD2-CE2 3.96Å; W20-Y102 HydrophobicContact CD2-CE2 3.96Å; W20-Y102 AromaticContact CE2-CD2 3.48Å; W20-Y102 VanDerWaalsContact CE2-CD2 3.48Å; W20-Y102 AromaticContact CE2-CE2 3.73Å; W20-Y102 HydrophobicContact CE3-CE2 4.4Å; W20-Y102 AromaticContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CE2 4.4Å; W20-Y102 HydrophobicContact CH2-CE2 4.42Å; W20-Y102 HydrophobicContact CZ2-CD2 4.13Å; W20-Y102 AromaticContact CZ2-CE2 3.96Å; W20-Y102 HydrophobicContact CZ2-CE2 3.96Å; W20-Y102 AromaticContact NE1-CD2 3.34Å; W20-Y102 VanDerWaalsContact NE1-CD2 3.34Å
21T90Very high83.3Confident14 Ų1448.6 Ų48.69%0.08626%0.255CS..EExtended strand (participates in β ladder)trans-111.9131.1177.8-57.80000109.3V68 Q70 V100 F101T21-V68 HydrophobicContact CG2-CG1 3.45Å; T21-V68 VanDerWaalsContact CG2-CG1 3.45Å; T21-Q70 HydrophobicContact CG2-CG 4.23Å; T21-V100 WeakPolarHBondContact O-CA 3.34Å; T21-F101 HydrophobicContact CG2-CE1 4.36Å; T21-F101 HydrophobicContact CG2-CE2 4.03Å; T21-F101 HydrophobicContact CG2-CZ 3.69Å; T21-F101 PolarHBondContact N-O 3.35Å; T21-F101 PolarHBondContact O-N 3.06Å
22M92.3Very high84.4Confident1 Ų145 Ų451%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-139.7140.3178.558.6-164.871.900110.6W20 V68 V69 L85 I88 F97 V100W20-M22 HydrophobicContact CB-CE 4.41Å; M22-V68 WeakPolarHBondContact O-CA 3.25Å; M22-V69 HydrophobicContact CG-CB 3.91Å; M22-V69 HydrophobicContact CG-CG1 4.32Å; M22-V69 PolarHBondContact N-O 2.96Å; M22-V69 PolarHBondContact O-N 3.49Å; M22-V69 HydrophobicContact SD-CG1 4.47Å; M22-L85 HydrophobicContact CE-CD2 4.02Å; M22-I88 HydrophobicContact CE-CD1 3.78Å; M22-I88 HydrophobicContact SD-CD1 4.47Å; M22-I88 HydrophobicContact SD-CG2 4.39Å; M22-F97 HydrophobicContact CB-CD1 4.13Å; M22-F97 HydrophobicContact CG-CD1 3.88Å; M22-F97 HydrophobicContact CG-CE1 4.34Å; M22-F97 HydrophobicContact SD-CD1 3.46Å; M22-F97 WeakPolarHBondContact SD-CD1 3.39Å; M22-F97 HydrophobicContact SD-CE1 3.57Å; M22-F97 VanDerWaalsContact SD-CE1 3.57Å; M22-F97 HydrophobicContact SD-CG 4.35Å; M22-V100 HydrophobicContact CB-CG1 4.49Å; M22-V100 HydrophobicContact CB-CG2 3.93Å
23K92.3Very high85.5Confident83 Ų8341.8 Ų41.836%0.36122%0.219SC..EExtended strand (participates in β ladder)trans-90.8136.2172.5-64-175.2-178.6179.20109.8E66 D67 V68 K98 A99K23-E66 HydrophobicContact CB-CB 4.49Å; K23-E66 WeakPolarHBondContact CD-OE2 3.01Å; K23-D67 CarbonylContact C-O 3.54Å; K23-D67 WeakPolarHBondContact CA-O 3.48Å; K23-V68 HydrophobicContact CG-CG2 4.38Å; K23-K98 HydrophobicContact CB-CB 4.18Å; K23-K98 WeakPolarHBondContact CB-O 3.4Å; K23-K98 PolarHBondContact N-O 2.92Å; K23-K98 PolarHBondContact O-N 2.87Å; K23-A99 HydrophobicContact CD-CB 3.95Å; K23-A99 HydrophobicContact CG-CB 4.15Å
24V92.3Very high86.7Confident0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-126.3139.6179.1-96.40000111.1V32 D67 V69 I95 F97V24-V32 HydrophobicContact CG1-CG2 3.85Å; V24-D67 HydrophobicContact CG2-CB 4.39Å; V24-D67 PolarHBondContact N-O 2.91Å; V24-D67 PolarHBondContact O-N 2.9Å; V24-V69 HydrophobicContact CG2-CB 4.18Å; V24-V69 HydrophobicContact CG2-CG2 3.47Å; V24-V69 VanDerWaalsContact CG2-CG2 3.47Å; V24-I95 HydrophobicContact CG1-CG2 3.96Å; V24-F97 HydrophobicContact CG1-CD1 3.44Å; V24-F97 VanDerWaalsContact CG1-CD1 3.44Å; V24-F97 HydrophobicContact CG1-CE1 3.46Å; V24-F97 VanDerWaalsContact CG1-CE1 3.46Å; V24-F97 HydrophobicContact CG1-CG 4.42Å; V24-F97 HydrophobicContact CG1-CZ 4.45Å
25P90.9Very high87.6Confident32 Ų3247.5 Ų47.521%0.20824%0.24CC..  trans-56.9144.8168.9-27.838.2000112.4D27 S28 T29 T96P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 WeakPolarHBondContact CB-OD1 3.3Å; P25-D27 PolarHBondContact O-N 3.05Å; P25-S28 WeakPolarHBondContact O-CA 3.42Å; P25-S28 WeakPolarHBondContact O-CB 3.35Å; P25-S28 PolarHBondContact O-N 3.18Å; P25-T29 PolarHBondContact O-N 3.13Å; P25-T29 VanDerWaalsContact O-N 3.09Å; P25-T29 PolarHBondContact O-OG1 3.37Å; P25-T96 WeakPolarHBondContact CD-O 3.47Å
26K88.4Confident88.4Confident89 Ų8946.8 Ų46.839%0.38723%0.234SC..Hα-helixtrans-57.1-39.3-177.1-76.4-73.9-174.5-178.50114.4S28 V62 R63 D67K26-S28 PolarHBondContact O-N 3.04Å; K26-V62 VanDerWaalsContact NZ-CG1 3.3Å; K26-R63 WeakPolarHBondContact CE-O 3.4Å; K26-R63 PolarHBondContact NZ-O 2.94Å; K26-D67 WeakPolarHBondContact CD-OD2 3.31Å; K26-D67 VanDerWaalsContact CE-OD1 3.29Å; K26-D67 WeakPolarHBondContact CE-OD1 3.49Å; K26-D67 IonicContact NZ-OD1 2.66Å; K26-D67 PolarHBondContact NZ-OD1 2.85Å; K26-D67 IonicContact NZ-OD2 3.53Å
27D89.7Confident88.9Confident130 Ų13040.7 Ų40.770%0.69521%0.21SC*.Hα-helixtrans-64.7-29.2176.857.8-8.5000112.2P25P25-D27 VanDerWaalsContact C-N 3.3Å; P25-D27 WeakPolarHBondContact CB-OD1 3.3Å; P25-D27 PolarHBondContact O-N 3.05Å
28S89.6Confident89Confident21 Ų2145.3 Ų45.315%0.14723%0.234CC..Hα-helixtrans-91.8-21.9-175.7-59.50000112.8P25 K26 S30 T31 V32P25-S28 WeakPolarHBondContact O-CA 3.42Å; P25-S28 WeakPolarHBondContact O-CB 3.35Å; P25-S28 PolarHBondContact O-N 3.18Å; K26-S28 PolarHBondContact O-N 3.04Å; S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S28-T31 PolarHBondContact O-N 2.94Å; S28-V32 VanDerWaalsContact O-CG2 3.28Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 2.91Å
29T89.3Confident88.8Confident15 Ų1545.5 Ų45.59%0.09224%0.235CC..Hα-helixtrans-52.7-42.5-176.2-54.10000113P25 T31 V32 W33 V60 D67P25-T29 PolarHBondContact O-N 3.13Å; P25-T29 VanDerWaalsContact O-N 3.09Å; P25-T29 PolarHBondContact O-OG1 3.37Å; T29-T31 VanDerWaalsContact C-N 3.34Å; T29-T31 PolarHBondContact O-N 2.7Å; T29-V32 PolarHBondContact O-N 3.11Å; T29-W33 WeakPolarHBondContact O-CB 3.5Å; T29-W33 PolarHBondContact O-N 3.37Å; T29-V60 HydrophobicContact CG2-CG2 4.03Å; T29-D67 WeakPolarHBondContact CB-OD2 3.23Å; T29-D67 HydrophobicContact CG2-CB 3.97Å; T29-D67 VanDerWaalsContact CG2-OD2 3.27Å; T29-D67 WeakPolarHBondContact CG2-OD2 3.33Å; T29-D67 WeakPolarHBondContact OG1-CB 3.16Å; T29-D67 PolarHBondContact OG1-OD2 2.93Å
30S89.5Confident88.5Confident68 Ų6846.4 Ų46.448%0.47624%0.241SC..Hα-helixtrans-63.1-41.4-179.4-170.40000112.1S28 K34S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 3.45Å; S30-K34 VanDerWaalsContact O-CG 3.27Å; S30-K34 WeakPolarHBondContact O-CG 3.34Å; S30-K34 PolarHBondContact O-N 3.14Å; S30-K34 VanDerWaalsContact O-N 3.1Å
31T90Very high87.9Confident73 Ų7352.4 Ų52.445%0.44827%0.273SS..Hα-helixtrans-68.6-47.5178.5-54.70000110.7S28 T29 W33 K34 V35 L92 I95S28-T31 PolarHBondContact O-N 2.94Å; T29-T31 VanDerWaalsContact C-N 3.34Å; T29-T31 PolarHBondContact O-N 2.7Å; T31-W33 VanDerWaalsContact C-N 3.31Å; T31-W33 PolarHBondContact O-N 2.85Å; T31-K34 PolarHBondContact O-N 3.04Å; T31-K34 VanDerWaalsContact O-N 3.12Å; T31-V35 WeakPolarHBondContact O-CG2 3.42Å; T31-V35 PolarHBondContact O-N 3.23Å; T31-L92 HydrophobicContact CG2-CD2 4.13Å; T31-I95 HydrophobicContact CG2-CD1 4.13Å
32V89.6Confident87.2Confident0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-58.1-46.1177.8178.20000110.7V24 S28 T29 K34 V35 L36 V69 L92 I95 F97V24-V32 HydrophobicContact CG1-CG2 3.85Å; S28-V32 VanDerWaalsContact O-CG2 3.28Å; S28-V32 WeakPolarHBondContact O-CG2 3.39Å; S28-V32 PolarHBondContact O-N 2.91Å; T29-V32 PolarHBondContact O-N 3.11Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.28Å; V32-V35 PolarHBondContact O-N 3.14Å; V32-L36 HydrophobicContact CG1-CD1 3.41Å; V32-L36 VanDerWaalsContact CG1-CD1 3.41Å; V32-L36 HydrophobicContact CG1-CG 4.01Å; V32-L36 WeakPolarHBondContact O-CB 3.3Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 3.13Å; V32-V69 HydrophobicContact CG1-CG1 4.37Å; V32-V69 HydrophobicContact CG1-CG2 3.95Å; V32-L92 HydrophobicContact CB-CD1 4.34Å; V32-L92 HydrophobicContact CG1-CD1 4.27Å; V32-L92 HydrophobicContact CG2-CD1 4.14Å; V32-I95 HydrophobicContact CG2-CD1 3.41Å; V32-I95 VanDerWaalsContact CG2-CD1 3.41Å; V32-I95 HydrophobicContact CG2-CG2 4.01Å; V32-F97 HydrophobicContact CG1-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CZ 4.35Å
33W88.9Confident86.3Confident111 Ų11162.5 Ų62.542%0.4232%0.317SS..Hα-helixtrans-69.4-22.6179.5-176.5-110000113.6T29 T31 P37 V58 V60T29-W33 WeakPolarHBondContact O-CB 3.5Å; T29-W33 PolarHBondContact O-N 3.37Å; T31-W33 VanDerWaalsContact C-N 3.31Å; T31-W33 PolarHBondContact O-N 2.85Å; W33-P37 HydrophobicContact CD2-CG 4.12Å; W33-P37 HydrophobicContact CE3-CG 4.01Å; W33-P37 HydrophobicContact CH2-CG 4.28Å; W33-P37 HydrophobicContact CZ2-CG 4.36Å; W33-P37 HydrophobicContact CZ3-CG 4.1Å; W33-P37 WeakPolarHBondContact O-CD 3.47Å; W33-P37 WeakPolarHBondContact O-CG 3.47Å; W33-V58 HydrophobicContact CH2-CG1 4.24Å; W33-V58 HydrophobicContact CZ3-CG1 3.88Å; W33-V58 HydrophobicContact CZ3-CG2 4.29Å; W33-V60 HydrophobicContact CD2-CB 4.48Å; W33-V60 HydrophobicContact CD2-CG1 3.9Å; W33-V60 HydrophobicContact CE3-CB 3.79Å; W33-V60 HydrophobicContact CE3-CG1 3.6Å; W33-V60 HydrophobicContact CH2-CG1 4.23Å; W33-V60 HydrophobicContact CZ2-CG1 4.49Å; W33-V60 HydrophobicContact CZ3-CB 4Å; W33-V60 HydrophobicContact CZ3-CG1 3.78Å
34K87.8Confident85.3Confident134 Ų13461.5 Ų61.558%0.58331%0.314SS*.Hα-helixtrans-77.7-43.5171.8-74.4169.8-1741760111.2S30 T31 V32 L38S30-K34 VanDerWaalsContact O-CG 3.27Å; S30-K34 WeakPolarHBondContact O-CG 3.34Å; S30-K34 PolarHBondContact O-N 3.14Å; S30-K34 VanDerWaalsContact O-N 3.1Å; T31-K34 PolarHBondContact O-N 3.04Å; T31-K34 VanDerWaalsContact O-N 3.12Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.28Å; K34-L38 VanDerWaalsContact O-CD1 3.23Å; K34-L38 WeakPolarHBondContact O-CD1 3.46Å; K34-L38 WeakPolarHBondContact O-CG 3.26Å
35V88.4Confident84.2Confident42 Ų4261.7 Ų61.726%0.25531%0.314SS..Hα-helixtrans-77.7-45.4-172.2175.60000112.2T31 V32 L38 A39 L91 L92T31-V35 WeakPolarHBondContact O-CG2 3.42Å; T31-V35 PolarHBondContact O-N 3.23Å; V32-V35 PolarHBondContact O-N 3.14Å; V35-L38 PolarHBondContact O-N 2.66Å; V35-A39 WeakPolarHBondContact O-CB 3.45Å; V35-A39 PolarHBondContact O-N 3.19Å; V35-L91 HydrophobicContact CG1-CB 4.08Å; V35-L91 HydrophobicContact CG1-CD1 4.45Å; V35-L92 HydrophobicContact CB-CD1 4.4Å; V35-L92 HydrophobicContact CB-CD2 3.93Å; V35-L92 HydrophobicContact CB-CG 4.42Å; V35-L92 HydrophobicContact CG1-CD1 4.43Å; V35-L92 HydrophobicContact CG1-CD2 4.05Å; V35-L92 HydrophobicContact CG1-CG 4.18Å; V35-L92 HydrophobicContact CG2-CD2 3.82Å
36L86.3Confident83Confident1 Ų163.3 Ų63.31%0.00532%0.324CS..Hα-helixtrans-65.3-47-173-69.5178.9000114.2V32 L38 A39 T40 F45 V58 V69 I88 L92V32-L36 HydrophobicContact CG1-CD1 3.41Å; V32-L36 VanDerWaalsContact CG1-CD1 3.41Å; V32-L36 HydrophobicContact CG1-CG 4.01Å; V32-L36 WeakPolarHBondContact O-CB 3.3Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 3.13Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 3.05Å; L36-A39 PolarHBondContact O-N 2.97Å; L36-T40 PolarHBondContact O-N 3.16Å; L36-T40 PolarHBondContact O-OG1 3.32Å; L36-F45 HydrophobicContact CD2-CZ 4.17Å; L36-V58 HydrophobicContact CB-CG2 4.26Å; L36-V58 HydrophobicContact CD1-CG2 4.47Å; L36-V69 HydrophobicContact CD1-CG1 3.54Å; L36-I88 HydrophobicContact CD2-CD1 4.23Å; L36-I88 HydrophobicContact CD2-CG1 3.86Å; L36-I88 HydrophobicContact CD2-CG2 4.24Å; L36-L92 HydrophobicContact CD2-CD1 4.48Å; L36-L92 HydrophobicContact CG-CD1 4.42Å
37P84.6Confident81.7Confident27 Ų2766.4 Ų66.418%0.17535%0.345CS..Hα-helixtrans-62.8-36.6176.2-2032.6000112.4W33 T40 I41 V58W33-P37 HydrophobicContact CD2-CG 4.12Å; W33-P37 HydrophobicContact CE3-CG 4.01Å; W33-P37 HydrophobicContact CH2-CG 4.28Å; W33-P37 HydrophobicContact CZ2-CG 4.36Å; W33-P37 HydrophobicContact CZ3-CG 4.1Å; W33-P37 WeakPolarHBondContact O-CD 3.47Å; W33-P37 WeakPolarHBondContact O-CG 3.47Å; P37-T40 PolarHBondContact O-N 2.84Å; P37-I41 WeakPolarHBondContact O-CD1 3.21Å; P37-I41 VanDerWaalsContact O-CG1 3.25Å; P37-I41 WeakPolarHBondContact O-CG1 3.49Å; P37-I41 PolarHBondContact O-N 3.42Å; P37-V58 HydrophobicContact CB-CG1 4.02Å; P37-V58 HydrophobicContact CG-CG1 3.75Å
38L84.4Confident80.3Confident98 Ų9861 Ų6151%0.51332%0.317SS..Hα-helixtrans-63.5-49.7175.9-71.5175.7000110.9K34 V35 L36 T40 I41 E42K34-L38 VanDerWaalsContact O-CD1 3.23Å; K34-L38 WeakPolarHBondContact O-CD1 3.46Å; K34-L38 WeakPolarHBondContact O-CG 3.26Å; V35-L38 PolarHBondContact O-N 2.66Å; L36-L38 VanDerWaalsContact C-N 3.29Å; L36-L38 PolarHBondContact O-N 3.05Å; L38-T40 PolarHBondContact O-N 2.98Å; L38-I41 PolarHBondContact O-N 3.36Å; L38-I41 VanDerWaalsContact O-N 3.09Å; L38-E42 WeakPolarHBondContact O-CB 3.46Å; L38-E42 WeakPolarHBondContact O-CG 3.46Å; L38-E42 PolarHBondContact O-N 3.01Å
39A84.3Confident78.8Confident3 Ų360.5 Ų60.53%0.02531%0.314CS..Hα-helixtrans-58.6-36.7176.200000112.4V35 L36 K43 Q44 F45 L91V35-A39 WeakPolarHBondContact O-CB 3.45Å; V35-A39 PolarHBondContact O-N 3.19Å; L36-A39 PolarHBondContact O-N 2.97Å; A39-K43 PolarHBondContact O-N 3.2Å; A39-Q44 HydrophobicContact CB-CB 4.46Å; A39-Q44 PolarHBondContact O-N 2.98Å; A39-F45 HydrophobicContact CB-CD2 4.44Å; A39-F45 HydrophobicContact CB-CE2 3.61Å; A39-F45 HydrophobicContact CB-CZ 3.89Å; A39-L91 HydrophobicContact CB-CD1 3.79Å
40T80.1Confident77.4Confident27 Ų2761 Ų6117%0.16632%0.32CS..Hα-helixtrans-66.9-42.5174.2-59.40000112.4L36 P37 L38 K43 V55L36-T40 PolarHBondContact O-N 3.16Å; L36-T40 PolarHBondContact O-OG1 3.32Å; P37-T40 PolarHBondContact O-N 2.84Å; L38-T40 PolarHBondContact O-N 2.98Å; T40-K43 PolarHBondContact O-N 3.37Å; T40-V55 HydrophobicContact CG2-CG1 3.9Å
41I77.9Confident75.9Confident132 Ų13263 Ų6368%0.67734%0.34SS*.Hα-helixtrans-67.8-40.3177.9-69.4162.8000111P37 L38 K43P37-I41 WeakPolarHBondContact O-CD1 3.21Å; P37-I41 VanDerWaalsContact O-CG1 3.25Å; P37-I41 WeakPolarHBondContact O-CG1 3.49Å; P37-I41 PolarHBondContact O-N 3.42Å; L38-I41 PolarHBondContact O-N 3.36Å; L38-I41 VanDerWaalsContact O-N 3.09Å; I41-K43 PolarHBondContact O-N 3.41Å; I41-K43 VanDerWaalsContact O-N 3.14Å
42E75.6Confident74.7Confident119 Ų11965.7 Ų65.756%0.55635%0.352SS*.THydrogen-bonded Turntrans-70-2.2176.5-71.2-179.9-171.600113L38 Q44L38-E42 WeakPolarHBondContact O-CB 3.46Å; L38-E42 WeakPolarHBondContact O-CG 3.46Å; L38-E42 PolarHBondContact O-N 3.01Å; E42-Q44 HydrophobicContact CB-CG 3.85Å; E42-Q44 PolarHBondContact O-N 2.94Å; E42-Q44 VanDerWaalsContact O-N 3.14Å; E42-Q44 PolarHBondContact OE2-NE2 2.91Å
43K73.1Confident73.8Confident107 Ų10766.1 Ų66.147%0.46535%0.354SS..THydrogen-bonded Turntrans5626.3-177.9-59.9-175.2-178.9-177.60113R2 A39 T40 I41 F45 T46R2-K43 VanDerWaalsContact NH2-CE 3.29Å; A39-K43 PolarHBondContact O-N 3.2Å; T40-K43 PolarHBondContact O-N 3.37Å; I41-K43 PolarHBondContact O-N 3.41Å; I41-K43 VanDerWaalsContact O-N 3.14Å; K43-F45 PolarHBondContact O-N 3.31Å; K43-F45 VanDerWaalsContact O-N 3.11Å; K43-T46 WeakPolarHBondContact CB-OG1 3.37Å; K43-T46 VanDerWaalsContact O-CB 3.27Å; K43-T46 WeakPolarHBondContact O-CB 3.32Å; K43-T46 PolarHBondContact O-N 2.86Å; K43-T46 PolarHBondContact O-OG1 2.96Å
44Q70.1Confident73.2Confident63 Ų6363.7 Ų63.729%0.29435%0.347SS..THydrogen-bonded Turntrans-62.8-21.9178.4-67-171-6.600112.4A39 E42A39-Q44 HydrophobicContact CB-CB 4.46Å; A39-Q44 PolarHBondContact O-N 2.98Å; E42-Q44 HydrophobicContact CB-CG 3.85Å; E42-Q44 PolarHBondContact O-N 2.94Å; E42-Q44 VanDerWaalsContact O-N 3.14Å; E42-Q44 PolarHBondContact OE2-NE2 2.91Å
45F69.1Low72.9Confident3 Ų357.8 Ų57.81%0.01332%0.323CS..THydrogen-bonded Turntrans-82.6-12.7174.7-60.6-63.8000113.7L36 A39 K43 D47 C48 A49 V55 V84 K87 I88 L91L36-F45 HydrophobicContact CD2-CZ 4.17Å; A39-F45 HydrophobicContact CB-CD2 4.44Å; A39-F45 HydrophobicContact CB-CE2 3.61Å; A39-F45 HydrophobicContact CB-CZ 3.89Å; K43-F45 PolarHBondContact O-N 3.31Å; K43-F45 VanDerWaalsContact O-N 3.11Å; F45-D47 VanDerWaalsContact C-N 3.3Å; F45-D47 PolarHBondContact O-N 3.43Å; F45-C48 CarbonylContact O-C 3.55Å; F45-C48 PolarHBondContact O-N 3.27Å; F45-C48 VanDerWaalsContact O-N 3.11Å; F45-A49 WeakPolarHBondContact O-CB 3.23Å; F45-A49 PolarHBondContact O-N 3.1Å; F45-V55 HydrophobicContact CB-CB 4.22Å; F45-V55 HydrophobicContact CB-CG2 3.69Å; F45-V55 HydrophobicContact CD2-CG1 4.49Å; F45-V55 HydrophobicContact CD2-CG2 4.43Å; F45-V55 HydrophobicContact CG-CG2 4.14Å; F45-V84 HydrophobicContact CD1-CG1 3.83Å; F45-V84 HydrophobicContact CE1-CG1 4.11Å; F45-K87 HydrophobicContact CD1-CB 4.36Å; F45-K87 HydrophobicContact CD1-CG 4.37Å; F45-K87 HydrophobicContact CE1-CB 4.14Å; F45-K87 HydrophobicContact CE1-CG 4.17Å; F45-I88 HydrophobicContact CE1-CG1 3.93Å; F45-I88 HydrophobicContact CZ-CG1 4.12Å; F45-L91 HydrophobicContact CZ-CD1 4.33Å
46T65.6Low72.6Confident67 Ų6756 Ų5641%0.41131%0.311SS..THydrogen-bonded Turntrans-67.8-30.9178.4-58.90000111.9K43 C48K43-T46 WeakPolarHBondContact CB-OG1 3.37Å; K43-T46 VanDerWaalsContact O-CB 3.27Å; K43-T46 WeakPolarHBondContact O-CB 3.32Å; K43-T46 PolarHBondContact O-N 2.86Å; K43-T46 PolarHBondContact O-OG1 2.96Å; T46-C48 VanDerWaalsContact C-N 3.28Å
47D62.1Low72.4Confident154 Ų15456.1 Ų56.182%0.82431%0.313SS*.THydrogen-bonded Turntrans-77.9-16.9173.8-62-29.1000112.6F45F45-D47 VanDerWaalsContact C-N 3.3Å; F45-D47 PolarHBondContact O-N 3.43Å
48C60.3Low72.6Confident16 Ų1655.9 Ų55.911%0.10831%0.311CS..THydrogen-bonded Turntrans-99.8-15.8-177.7-57.30000113F45 T46 T83 V84F45-C48 CarbonylContact O-C 3.55Å; F45-C48 PolarHBondContact O-N 3.27Å; F45-C48 VanDerWaalsContact O-N 3.11Å; T46-C48 VanDerWaalsContact C-N 3.28Å; C48-T83 WeakPolarHBondContact CA-OG1 3.36Å; C48-T83 WeakPolarHBondContact CB-OG1 3.47Å; C48-T83 PolarHBondContact O-N 2.81Å; C48-T83 PolarHBondContact O-OG1 3.34Å; C48-V84 HydrophobicContact CB-CG2 4.37Å
49A58Low72.7Confident10 Ų1052.4 Ų52.48%0.08330%0.295CS..SBendtrans-96141.6174.700000108.3F45 D53F45-A49 WeakPolarHBondContact O-CB 3.23Å; F45-A49 PolarHBondContact O-N 3.1Å; A49-D53 HydrophobicContact CB-CB 3.97Å; A49-D53 WeakPolarHBondContact CB-O 3.2Å
50A59.9Low73Confident26 Ų2654.3 Ų54.322%0.21531%0.306CS..  trans-61.5162.5175.200000110.4D52 D53 L78A50-D52 PolarHBondContact O-N 3.27Å; A50-D53 PolarHBondContact O-N 3.09Å; A50-L78 HydrophobicContact CB-CB 4.27Å; A50-L78 HydrophobicContact CB-CD1 3.93Å; A50-L78 HydrophobicContact CB-CD2 3.84Å; A50-L78 HydrophobicContact CB-CG 4.2Å
51A58.7Low73.4Confident109 Ų10954.3 Ų54.390%0.90131%0.307SS*.THydrogen-bonded Turntrans-52.7-21.8-169.400000115.6
52D64.4Low73.9Confident131 Ų13152.5 Ų52.570%0.70130%0.302SS*.THydrogen-bonded Turntrans-111.713.8178.1-68.2-43.2000114.2A50 L78A50-D52 PolarHBondContact O-N 3.27Å; D52-L78 HydrophobicContact CB-CD1 3.91Å
53D70.3Confident74.5Confident8 Ų853.3 Ų53.34%0.04330%0.3CS..  trans-115.5136.4171.4-170.629.7000111A49 A50 N73 N75 L78A49-D53 HydrophobicContact CB-CB 3.97Å; A49-D53 WeakPolarHBondContact CB-O 3.2Å; A50-D53 PolarHBondContact O-N 3.09Å; D53-N73 WeakPolarHBondContact OD1-CB 3.44Å; D53-N73 PolarHBondContact OD1-ND2 3.38Å; D53-N73 PolarHBondContact OD2-ND2 3.37Å; D53-N75 HydrophobicContact CB-CB 4.41Å; D53-N75 PolarHBondContact OD1-N 2.93Å; D53-L78 HydrophobicContact CB-CB 3.94Å; D53-L78 HydrophobicContact CB-CD1 3.69Å; D53-L78 HydrophobicContact CB-CG 4.45Å
54E75.8Confident74.9Confident60 Ų6056 Ų5628%0.2832%0.32SS..  trans-139.4132.8-179.9-171.8-179-167.200108.9R2 I56 N73 V74R2-E54 IonicContact CZ-OE1 2.66Å; R2-E54 IonicContact NE-OE1 3.43Å; R2-E54 IonicContact NH1-OE1 3.75Å; R2-E54 PolarHBondContact NH1-OE1 3.38Å; R2-E54 IonicContact NH1-OE2 2.77Å; E54-I56 PolarHBondContact O-N 2.89Å; E54-N73 WeakPolarHBondContact O-CA 2.88Å; E54-V74 HydrophobicContact CB-CG1 4.27Å; E54-V74 PolarHBondContact O-N 3.04Å; E54-V74 VanDerWaalsContact O-N 3.1Å
55V81Confident75.6Confident11 Ų1164.1 Ų64.17%0.06735%0.348CS..EExtended strand (participates in β ladder)trans-73.3111.1168.31760000108.7W20 T40 F45 L71 W72 V84W20-V55 HydrophobicContact CZ3-CG2 4.47Å; T40-V55 HydrophobicContact CG2-CG1 3.9Å; F45-V55 HydrophobicContact CB-CB 4.22Å; F45-V55 HydrophobicContact CB-CG2 3.69Å; F45-V55 HydrophobicContact CD2-CG1 4.49Å; F45-V55 HydrophobicContact CD2-CG2 4.43Å; F45-V55 HydrophobicContact CG-CG2 4.14Å; V55-L71 HydrophobicContact CG1-CD1 3.59Å; V55-L71 HydrophobicContact CG1-CD2 4.05Å; V55-L71 HydrophobicContact CG1-CG 3.71Å; V55-L71 HydrophobicContact CG2-CD2 4.08Å; V55-L71 HydrophobicContact CG2-CG 4.49Å; V55-W72 CarbonylContact C-O 3.42Å; V55-W72 WeakPolarHBondContact CA-O 3.21Å; V55-V84 HydrophobicContact CG2-CG2 4.5Å
56I82Confident76.6Confident3 Ų366.4 Ų66.42%0.01536%0.359CS..EExtended strand (participates in β ladder)trans-92.5-16.5-173.859.6168.5000113M1 R2 N14 E54 W72 V74M1-I56 HydrophobicContact CE-CD1 4.35Å; M1-I56 HydrophobicContact SD-CG1 4.45Å; R2-I56 PolarHBondContact N-O 3.16Å; N14-I56 WeakPolarHBondContact OD1-CD1 3.48Å; E54-I56 PolarHBondContact O-N 2.89Å; I56-W72 HydrophobicContact CD1-CB 4.26Å; I56-W72 HydrophobicContact CG1-CB 3.78Å; I56-W72 WeakPolarHBondContact CG1-O 3.27Å; I56-W72 PolarHBondContact N-O 3.28Å; I56-V74 HydrophobicContact CG2-CB 4.03Å
57G83.8Confident77.9Confident4 Ų463.5 Ų63.54%0.04134%0.34CS..EExtended strand (participates in β ladder)trans179.2168.6179.700000114.6W72G57-W72 PolarHBondContact N-O 2.81Å; G57-W72 PolarHBondContact O-N 3.09Å
58V87.8Confident79.2Confident22 Ų2257.4 Ų57.413%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-130.7142.3174.266.90000108.3W33 L36 P37 V69 Q70 L71W33-V58 HydrophobicContact CH2-CG1 4.24Å; W33-V58 HydrophobicContact CZ3-CG1 3.88Å; W33-V58 HydrophobicContact CZ3-CG2 4.29Å; L36-V58 HydrophobicContact CB-CG2 4.26Å; L36-V58 HydrophobicContact CD1-CG2 4.47Å; P37-V58 HydrophobicContact CB-CG1 4.02Å; P37-V58 HydrophobicContact CG-CG1 3.75Å; V58-V69 HydrophobicContact CG2-CG1 4.27Å; V58-Q70 CarbonylContact C-O 3.56Å; V58-Q70 WeakPolarHBondContact CA-O 3.24Å; V58-Q70 WeakPolarHBondContact CG2-O 3.44Å; V58-L71 HydrophobicContact CB-CD1 3.81Å; V58-L71 HydrophobicContact CG2-CD1 3.91Å
59S87.8Confident80.7Confident25 Ų2556.7 Ų56.718%0.17530%0.304CS..EExtended strand (participates in β ladder)trans-134.1148.5173.160.90000110.2Q70 W72S59-Q70 PolarHBondContact N-O 2.87Å; S59-Q70 PolarHBondContact O-N 3.43Å; S59-Q70 WeakPolarHBondContact OG-CB 3.26Å; S59-W72 PolarHBondContact OG-NE1 3.08Å
60V89.4Confident82.2Confident44 Ų4458.3 Ų58.327%0.26731%0.31SS..EExtended strand (participates in β ladder)trans-122.2133.117464.30000109.2T29 W33 V68 V69T29-V60 HydrophobicContact CG2-CG2 4.03Å; W33-V60 HydrophobicContact CD2-CB 4.48Å; W33-V60 HydrophobicContact CD2-CG1 3.9Å; W33-V60 HydrophobicContact CE3-CB 3.79Å; W33-V60 HydrophobicContact CE3-CG1 3.6Å; W33-V60 HydrophobicContact CH2-CG1 4.23Å; W33-V60 HydrophobicContact CZ2-CG1 4.49Å; W33-V60 HydrophobicContact CZ3-CB 4Å; W33-V60 HydrophobicContact CZ3-CG1 3.78Å; V60-V68 CarbonylContact C-O 3.54Å; V60-V68 WeakPolarHBondContact CA-O 3.28Å; V60-V69 HydrophobicContact CB-CG2 4.4Å; V60-V69 HydrophobicContact CG2-CG2 3.92Å
61S88.4Confident83.6Confident27 Ų2757.1 Ų57.119%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-113.2104.5177.7-93.70000108.1R63 V68S61-R63 PolarHBondContact OG-NH2 3.45Å; S61-V68 PolarHBondContact N-O 2.99Å; S61-V68 PolarHBondContact O-N 2.92Å
62V88.2Confident84.9Confident94 Ų9452.7 Ų52.757%0.5726%0.26SS*.  trans-74130176.1-1750000109K26 D67K26-V62 VanDerWaalsContact NZ-CG1 3.3Å; V62-D67 WeakPolarHBondContact CA-OD1 3.37Å; V62-D67 WeakPolarHBondContact CG1-OD1 3.46Å
63R88.5Confident85.9Confident135 Ų13546.5 Ų46.551%0.50923%0.226SC..  trans-136.1166.3179.2-61.4-69.6-177.4-86-3.7110.6K26 S61 R65 E66 D67K26-R63 WeakPolarHBondContact CE-O 3.4Å; K26-R63 PolarHBondContact NZ-O 2.94Å; S61-R63 PolarHBondContact OG-NH2 3.45Å; R63-R65 PolarHBondContact O-N 3.01Å; R63-E66 WeakPolarHBondContact CB-O 3.25Å; R63-D67 PolarHBondContact N-OD1 2.93Å
64D81.1Confident86.4Confident165 Ų16548.1 Ų48.188%0.88224%0.237SC*.SBendtrans-62.9-41.4-174.1-79-14.2000114.6
65R85.6Confident86.5Confident232 Ų23247.2 Ų47.288%0.87523%0.234SC*.SBendtrans-90.4-58.3-173.4-63.1-174.1-178.3-165.70.9113.1R63R63-R65 PolarHBondContact O-N 3.01Å
66E89.4Confident86.4Confident52 Ų5248.2 Ų48.224%0.24324%0.24CC..SBendtrans-139.4141.3-177.1-66.2-179145.900107.7K23 R63 K98K23-E66 HydrophobicContact CB-CB 4.49Å; K23-E66 WeakPolarHBondContact CD-OE2 3.01Å; R63-E66 WeakPolarHBondContact CB-O 3.25Å; E66-K98 WeakPolarHBondContact OE1-CD 3.27Å; E66-K98 IonicContact OE1-NZ 2.89Å; E66-K98 PolarHBondContact OE1-NZ 3.44Å
67D92.4Very high85.7Confident5 Ų552.8 Ų52.83%0.02727%0.272CS..EExtended strand (participates in β ladder)trans-80.7151.5177-66.5-30.4000110.1K23 V24 K26 T29 V62 R63K23-D67 CarbonylContact C-O 3.54Å; K23-D67 WeakPolarHBondContact CA-O 3.48Å; V24-D67 HydrophobicContact CG2-CB 4.39Å; V24-D67 PolarHBondContact N-O 2.91Å; V24-D67 PolarHBondContact O-N 2.9Å; K26-D67 WeakPolarHBondContact CD-OD2 3.31Å; K26-D67 VanDerWaalsContact CE-OD1 3.29Å; K26-D67 WeakPolarHBondContact CE-OD1 3.49Å; K26-D67 IonicContact NZ-OD1 2.66Å; K26-D67 PolarHBondContact NZ-OD1 2.85Å; K26-D67 IonicContact NZ-OD2 3.53Å; T29-D67 WeakPolarHBondContact CB-OD2 3.23Å; T29-D67 HydrophobicContact CG2-CB 3.97Å; T29-D67 VanDerWaalsContact CG2-OD2 3.27Å; T29-D67 WeakPolarHBondContact CG2-OD2 3.33Å; T29-D67 WeakPolarHBondContact OG1-CB 3.16Å; T29-D67 PolarHBondContact OG1-OD2 2.93Å; V62-D67 WeakPolarHBondContact CA-OD1 3.37Å; V62-D67 WeakPolarHBondContact CG1-OD1 3.46Å; R63-D67 PolarHBondContact N-OD1 2.93Å
68V91.1Very high84.9Confident26 Ų2654 Ų5416%0.15828%0.277CS..EExtended strand (participates in β ladder)trans-113.9121.6-179.2-176.10000107.9T21 M22 K23 V60 S61 Q70T21-V68 HydrophobicContact CG2-CG1 3.45Å; T21-V68 VanDerWaalsContact CG2-CG1 3.45Å; M22-V68 WeakPolarHBondContact O-CA 3.25Å; K23-V68 HydrophobicContact CG-CG2 4.38Å; V60-V68 CarbonylContact C-O 3.54Å; V60-V68 WeakPolarHBondContact CA-O 3.28Å; S61-V68 PolarHBondContact N-O 2.99Å; S61-V68 PolarHBondContact O-N 2.92Å; V68-Q70 HydrophobicContact CG1-CG 4.17Å
69V91.3Very high84.1Confident1 Ų155.3 Ų55.31%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-104137.8173.3172.40000108.5M22 V24 V32 L36 V58 V60M22-V69 HydrophobicContact CG-CB 3.91Å; M22-V69 HydrophobicContact CG-CG1 4.32Å; M22-V69 PolarHBondContact N-O 2.96Å; M22-V69 PolarHBondContact O-N 3.49Å; M22-V69 HydrophobicContact SD-CG1 4.47Å; V24-V69 HydrophobicContact CG2-CB 4.18Å; V24-V69 HydrophobicContact CG2-CG2 3.47Å; V24-V69 VanDerWaalsContact CG2-CG2 3.47Å; V32-V69 HydrophobicContact CG1-CG1 4.37Å; V32-V69 HydrophobicContact CG1-CG2 3.95Å; L36-V69 HydrophobicContact CD1-CG1 3.54Å; V58-V69 HydrophobicContact CG2-CG1 4.27Å; V60-V69 HydrophobicContact CB-CG2 4.4Å; V60-V69 HydrophobicContact CG2-CG2 3.92Å
70Q90Very high83.1Confident44 Ų4457.8 Ų57.821%0.20632%0.315CS..EExtended strand (participates in β ladder)trans-130.5127.3-174.6-71177.7-76.600109.2V19 W20 T21 V58 S59 V68V19-Q70 HydrophobicContact CG2-CB 3.64Å; V19-Q70 HydrophobicContact CG2-CG 4.07Å; W20-Q70 CarbonylContact O-C 3.6Å; W20-Q70 VanDerWaalsContact O-CA 3.24Å; W20-Q70 WeakPolarHBondContact O-CA 3.48Å; T21-Q70 HydrophobicContact CG2-CG 4.23Å; V58-Q70 CarbonylContact C-O 3.56Å; V58-Q70 WeakPolarHBondContact CA-O 3.24Å; V58-Q70 WeakPolarHBondContact CG2-O 3.44Å; S59-Q70 PolarHBondContact N-O 2.87Å; S59-Q70 PolarHBondContact O-N 3.43Å; S59-Q70 WeakPolarHBondContact OG-CB 3.26Å; V68-Q70 HydrophobicContact CG1-CG 4.17Å
71L88.4Confident82.1Confident1 Ų162.6 Ų62.61%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-114.6123.5177.3-165.373.5000108.9V19 W20 V55 V58 V84 I88V19-L71 CarbonylContact C-O 3.39Å; V19-L71 VanDerWaalsContact CA-O 3.26Å; V19-L71 WeakPolarHBondContact CA-O 3.27Å; W20-L71 HydrophobicContact CB-CB 4.32Å; W20-L71 HydrophobicContact CE3-CB 4.22Å; W20-L71 HydrophobicContact CE3-CD2 4.07Å; W20-L71 HydrophobicContact CE3-CG 4.35Å; W20-L71 HydrophobicContact CZ3-CD2 4.44Å; W20-L71 PolarHBondContact N-O 3.49Å; W20-L71 PolarHBondContact O-N 2.88Å; V55-L71 HydrophobicContact CG1-CD1 3.59Å; V55-L71 HydrophobicContact CG1-CD2 4.05Å; V55-L71 HydrophobicContact CG1-CG 3.71Å; V55-L71 HydrophobicContact CG2-CD2 4.08Å; V55-L71 HydrophobicContact CG2-CG 4.49Å; V58-L71 HydrophobicContact CB-CD1 3.81Å; V58-L71 HydrophobicContact CG2-CD1 3.91Å; L71-V84 HydrophobicContact CD2-CG1 3.47Å; L71-V84 VanDerWaalsContact CD2-CG1 3.47Å; L71-I88 HydrophobicContact CD2-CD1 4.2Å
72W86.3Confident81.4Confident17 Ų1762.2 Ų62.26%0.06433%0.333CS..EExtended strand (participates in β ladder)trans-101.2133.1-171.6-60.869000109.5M1 W9 V19 V55 I56 G57 S59 H105M1-W72 HydrophobicContact CE-CB 4.23Å; M1-W72 HydrophobicContact CE-CD2 3.79Å; M1-W72 HydrophobicContact CE-CE3 3.84Å; M1-W72 HydrophobicContact CE-CG 3.96Å; W9-W72 HydrophobicContact CB-CZ3 4.33Å; V19-W72 HydrophobicContact CG2-CD2 4.46Å; V55-W72 CarbonylContact C-O 3.42Å; V55-W72 WeakPolarHBondContact CA-O 3.21Å; I56-W72 HydrophobicContact CD1-CB 4.26Å; I56-W72 HydrophobicContact CG1-CB 3.78Å; I56-W72 WeakPolarHBondContact CG1-O 3.27Å; I56-W72 PolarHBondContact N-O 3.28Å; G57-W72 PolarHBondContact N-O 2.81Å; G57-W72 PolarHBondContact O-N 3.09Å; S59-W72 PolarHBondContact OG-NE1 3.08Å; W72-H105 AromaticContact CE3-CE1 3.41Å; W72-H105 VanDerWaalsContact CE3-CE1 3.41Å; W72-H105 AromaticContact CE3-NE2 3.55Å; W72-H105 AromaticContact CZ3-CE1 3.53Å; W72-H105 AromaticContact CZ3-NE2 3.44Å; W72-H105 WeakPolarHBondContact CZ3-NE2 3.29Å
73N85.3Confident81Confident0 Ų061.8 Ų61.80%033%0.331CS..EExtended strand (participates in β ladder)trans-129.1163175.573.3-54.7000112.2G17 G18 W20 D53 E54 N75 Y102G17-N73 WeakPolarHBondContact CA-O 3.4Å; G18-N73 PolarHBondContact N-O 2.96Å; G18-N73 PolarHBondContact N-OD1 3.01Å; G18-N73 PolarHBondContact O-N 3.48Å; G18-N73 VanDerWaalsContact O-N 3.09Å; G18-N73 PolarHBondContact O-OD1 3.35Å; W20-N73 HydrophobicContact CE3-CB 4.46Å; W20-N73 HydrophobicContact CH2-CB 3.87Å; W20-N73 HydrophobicContact CZ3-CB 3.52Å; D53-N73 WeakPolarHBondContact OD1-CB 3.44Å; D53-N73 PolarHBondContact OD1-ND2 3.38Å; D53-N73 PolarHBondContact OD2-ND2 3.37Å; E54-N73 WeakPolarHBondContact O-CA 2.88Å; N73-N75 PolarHBondContact ND2-O 3.33Å; N73-Y102 WeakPolarHBondContact OD1-CE2 3.21Å; N73-Y102 PolarHBondContact OD1-OH 2.82Å
74V81.5Confident80.7Confident43 Ų4355.4 Ų55.426%0.26131%0.307SS..SBendtrans-84.5-25.3-173.474.70000113.1K16 G17 E54 I56K16-V74 CarbonylContact C-O 3.57Å; G17-V74 VanDerWaalsContact CA-O 3.27Å; G17-V74 WeakPolarHBondContact CA-O 3.27Å; G17-V74 PolarHBondContact N-O 3.2Å; E54-V74 HydrophobicContact CB-CG1 4.27Å; E54-V74 PolarHBondContact O-N 3.04Å; E54-V74 VanDerWaalsContact O-N 3.1Å; I56-V74 HydrophobicContact CG2-CB 4.03Å
75N78.3Confident80.8Confident40 Ų4050 Ų5021%0.21428%0.278CS..  trans-135.3113.7-171.3-167-14.8000113.3D53 N73 S77 L78D53-N75 HydrophobicContact CB-CB 4.41Å; D53-N75 PolarHBondContact OD1-N 2.93Å; N73-N75 PolarHBondContact ND2-O 3.33Å; N75-S77 VanDerWaalsContact C-N 3.3Å; N75-S77 PolarHBondContact O-N 3.12Å; N75-S77 VanDerWaalsContact OD1-CB 3.23Å; N75-S77 WeakPolarHBondContact OD1-CB 3.44Å; N75-S77 PolarHBondContact OD1-N 3.1Å; N75-S77 PolarHBondContact OD1-OG 2.86Å; N75-L78 HydrophobicContact CB-CD1 4.41Å
76V77.6Confident80.7Confident32 Ų3240.9 Ų40.919%0.19426%0.255CS..G310 helixtrans-67.4-28.517660.90000114.5K16 L78 V79 Y102 P104K16-V76 PolarHBondContact O-N 3.38Å; V76-L78 PolarHBondContact O-N 3.39Å; V76-V79 WeakPolarHBondContact O-CB 3.48Å; V76-V79 VanDerWaalsContact O-CG1 3.3Å; V76-V79 WeakPolarHBondContact O-CG1 3.36Å; V76-V79 PolarHBondContact O-N 3.44Å; V76-V79 VanDerWaalsContact O-N 3.13Å; V76-Y102 VanDerWaalsContact CA-OH 3.26Å; V76-Y102 WeakPolarHBondContact CA-OH 3.31Å; V76-Y102 HydrophobicContact CB-CE1 4.3Å; V76-Y102 WeakPolarHBondContact CB-OH 3.39Å; V76-Y102 HydrophobicContact CG2-CE1 3.51Å; V76-P104 HydrophobicContact CG2-CB 3.98Å; V76-P104 HydrophobicContact CG2-CG 4.04Å
77S68.1Low80.5Confident99 Ų9941.2 Ų41.269%0.69226%0.256SS*.G310 helixtrans-64.5-21.7-170.2-43.70000112.5N75N75-S77 VanDerWaalsContact C-N 3.3Å; N75-S77 PolarHBondContact O-N 3.12Å; N75-S77 VanDerWaalsContact OD1-CB 3.23Å; N75-S77 WeakPolarHBondContact OD1-CB 3.44Å; N75-S77 PolarHBondContact OD1-N 3.1Å; N75-S77 PolarHBondContact OD1-OG 2.86Å
78L67.2Low80.2Confident29 Ų2941.1 Ų41.115%0.15226%0.255CS..G310 helixtrans-102.55.2-173.8-62.9168.4000112.7A50 D52 D53 N75 V76 G80 E81 A82A50-L78 HydrophobicContact CB-CB 4.27Å; A50-L78 HydrophobicContact CB-CD1 3.93Å; A50-L78 HydrophobicContact CB-CD2 3.84Å; A50-L78 HydrophobicContact CB-CG 4.2Å; D52-L78 HydrophobicContact CB-CD1 3.91Å; D53-L78 HydrophobicContact CB-CB 3.94Å; D53-L78 HydrophobicContact CB-CD1 3.69Å; D53-L78 HydrophobicContact CB-CG 4.45Å; N75-L78 HydrophobicContact CB-CD1 4.41Å; V76-L78 PolarHBondContact O-N 3.39Å; L78-G80 PolarHBondContact O-N 2.81Å; L78-E81 PolarHBondContact O-N 2.82Å; L78-A82 WeakPolarHBondContact O-CB 3.04Å; L78-A82 PolarHBondContact O-N 3.14Å
79V70.1Confident80.1Confident51 Ų5144.8 Ų44.831%0.30927%0.267SS..THydrogen-bonded Turntrans-58.5-31.9178.872.30000112.9W20 V76 E81 Y102W20-V79 HydrophobicContact CZ2-CG2 3.96Å; V76-V79 WeakPolarHBondContact O-CB 3.48Å; V76-V79 VanDerWaalsContact O-CG1 3.3Å; V76-V79 WeakPolarHBondContact O-CG1 3.36Å; V76-V79 PolarHBondContact O-N 3.44Å; V76-V79 VanDerWaalsContact O-N 3.13Å; V79-E81 VanDerWaalsContact C-N 3.32Å; V79-Y102 HydrophobicContact CB-CD1 4.36Å; V79-Y102 HydrophobicContact CB-CE1 4.25Å; V79-Y102 HydrophobicContact CB-CE2 4.41Å; V79-Y102 HydrophobicContact CG1-CD1 4.47Å; V79-Y102 HydrophobicContact CG1-CE1 4.48Å; V79-Y102 HydrophobicContact CG2-CD1 3.77Å; V79-Y102 HydrophobicContact CG2-CD2 3.6Å; V79-Y102 HydrophobicContact CG2-CE1 4.07Å; V79-Y102 HydrophobicContact CG2-CE2 3.84Å; V79-Y102 HydrophobicContact CG2-CG 3.51Å
80G66.7Low79.9Confident77 Ų7751 Ų5179%0.79430%0.296SS*.THydrogen-bonded Turntrans-72.5-23.817900000113.8L78L78-G80 PolarHBondContact O-N 2.81Å
81E67.7Low79.8Confident145 Ų14551.5 Ų51.568%0.67830%0.3SS*.THydrogen-bonded Turntrans-101.3-19.3179.1-63.6-176.5-16900112.1L78 V79 T83L78-E81 PolarHBondContact O-N 2.82Å; V79-E81 VanDerWaalsContact C-N 3.32Å; E81-T83 PolarHBondContact O-N 3.27Å
82A75.1Confident79.7Confident19 Ų1951.9 Ų51.916%0.15730%0.302CS..  trans-64.6122.1179.700000112.1W20 L78 V84W20-A82 HydrophobicContact CH2-CB 4.36Å; W20-A82 HydrophobicContact CZ2-CB 4Å; L78-A82 WeakPolarHBondContact O-CB 3.04Å; L78-A82 PolarHBondContact O-N 3.14Å; A82-V84 VanDerWaalsContact C-N 3.28Å; A82-V84 HydrophobicContact CB-CG2 4.14Å; A82-V84 PolarHBondContact O-N 3.41Å
83T80.1Confident79.8Confident85 Ų8555.3 Ų55.352%0.52133%0.326SS..  trans-92.713.1175.353.90000112.7C48 E81 L85 G86 K87C48-T83 WeakPolarHBondContact CA-OG1 3.36Å; C48-T83 WeakPolarHBondContact CB-OG1 3.47Å; C48-T83 PolarHBondContact O-N 2.81Å; C48-T83 PolarHBondContact O-OG1 3.34Å; E81-T83 PolarHBondContact O-N 3.27Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 2.93Å; T83-G86 WeakPolarHBondContact O-CA 3.4Å; T83-G86 PolarHBondContact O-N 2.77Å; T83-K87 PolarHBondContact O-N 3.09Å
84V81.8Confident79.9Confident0 Ų063.9 Ų63.90%037%0.366CS..Hα-helixtrans-53-44.2-176.2177.30000112.2W20 F45 C48 V55 L71 A82 G86 K87 I88W20-V84 HydrophobicContact CE3-CG1 4.44Å; W20-V84 HydrophobicContact CH2-CB 4.43Å; W20-V84 HydrophobicContact CH2-CG2 4.16Å; W20-V84 HydrophobicContact CZ3-CG1 4.3Å; W20-V84 HydrophobicContact CZ3-CG2 4.46Å; F45-V84 HydrophobicContact CD1-CG1 3.83Å; F45-V84 HydrophobicContact CE1-CG1 4.11Å; C48-V84 HydrophobicContact CB-CG2 4.37Å; V55-V84 HydrophobicContact CG2-CG2 4.5Å; L71-V84 HydrophobicContact CD2-CG1 3.47Å; L71-V84 VanDerWaalsContact CD2-CG1 3.47Å; A82-V84 VanDerWaalsContact C-N 3.28Å; A82-V84 HydrophobicContact CB-CG2 4.14Å; A82-V84 PolarHBondContact O-N 3.41Å; V84-G86 PolarHBondContact O-N 2.8Å; V84-K87 PolarHBondContact O-N 2.98Å; V84-I88 HydrophobicContact CG1-CD1 4.28Å; V84-I88 WeakPolarHBondContact O-CG1 2.99Å; V84-I88 PolarHBondContact O-N 2.98Å
85L83Confident80.2Confident53 Ų5362.6 Ų62.628%0.27736%0.358SS..Hα-helixtrans-63-41.9176.9-69.3178.7000112W20 M22 T83 K87 I88 Y89 V100W20-L85 HydrophobicContact CB-CD2 4.47Å; W20-L85 HydrophobicContact CG-CD2 4.28Å; M22-L85 HydrophobicContact CE-CD2 4.02Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 2.93Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.32Å; L85-I88 PolarHBondContact O-N 3.43Å; L85-Y89 HydrophobicContact CB-CE2 4.47Å; L85-Y89 WeakPolarHBondContact O-CD2 3.39Å; L85-Y89 PolarHBondContact O-N 2.81Å; L85-Y89 VanDerWaalsContact O-N 3.1Å; L85-V100 HydrophobicContact CD1-CG1 4.02Å; L85-V100 HydrophobicContact CD2-CG1 3.71Å
86G84.5Confident80.6Confident39 Ų3965.4 Ų65.440%0.40238%0.376SS..Hα-helixtrans-58-44.117500000111.3T83 V84 I88 Y89 E90T83-G86 WeakPolarHBondContact O-CA 3.4Å; T83-G86 PolarHBondContact O-N 2.77Å; V84-G86 PolarHBondContact O-N 2.8Å; G86-I88 VanDerWaalsContact C-N 3.33Å; G86-I88 PolarHBondContact O-N 3.17Å; G86-Y89 PolarHBondContact O-N 2.83Å; G86-E90 PolarHBondContact O-N 3.18Å
87K84.8Confident81.1Confident60 Ų6064.7 Ų64.726%0.26137%0.37SS..Hα-helixtrans-63.2-37.9177.2-162.368.1-175.7169.40113.2F45 T83 V84 L85 Y89 E90 L91F45-K87 HydrophobicContact CD1-CB 4.36Å; F45-K87 HydrophobicContact CD1-CG 4.37Å; F45-K87 HydrophobicContact CE1-CB 4.14Å; F45-K87 HydrophobicContact CE1-CG 4.17Å; T83-K87 PolarHBondContact O-N 3.09Å; V84-K87 PolarHBondContact O-N 2.98Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.32Å; K87-Y89 VanDerWaalsContact C-N 3.34Å; K87-E90 WeakPolarHBondContact CD-OE2 3.07Å; K87-E90 IonicContact NZ-OE2 3.97Å; K87-E90 PolarHBondContact NZ-OE2 3.34Å; K87-E90 PolarHBondContact O-N 3.21Å; K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 WeakPolarHBondContact O-CB 3.4Å; K87-L91 VanDerWaalsContact O-CG 3.3Å; K87-L91 WeakPolarHBondContact O-CG 3Å; K87-L91 PolarHBondContact O-N 3.42Å
88I86.3Confident82.1Confident2 Ų264.7 Ų64.71%0.0136%0.358CS..Hα-helixtrans-62.8-42.7175.4-66.9171.4000110.8M22 L36 F45 L71 V84 L85 G86 E90 L91 L92 F97M22-I88 HydrophobicContact CE-CD1 3.78Å; M22-I88 HydrophobicContact SD-CD1 4.47Å; M22-I88 HydrophobicContact SD-CG2 4.39Å; L36-I88 HydrophobicContact CD2-CD1 4.23Å; L36-I88 HydrophobicContact CD2-CG1 3.86Å; L36-I88 HydrophobicContact CD2-CG2 4.24Å; F45-I88 HydrophobicContact CE1-CG1 3.93Å; F45-I88 HydrophobicContact CZ-CG1 4.12Å; L71-I88 HydrophobicContact CD2-CD1 4.2Å; V84-I88 HydrophobicContact CG1-CD1 4.28Å; V84-I88 WeakPolarHBondContact O-CG1 2.99Å; V84-I88 PolarHBondContact O-N 2.98Å; L85-I88 PolarHBondContact O-N 3.43Å; G86-I88 VanDerWaalsContact C-N 3.33Å; G86-I88 PolarHBondContact O-N 3.17Å; I88-E90 VanDerWaalsContact C-N 3.34Å; I88-L91 PolarHBondContact O-N 2.63Å; I88-L92 WeakPolarHBondContact O-CB 3.4Å; I88-L92 PolarHBondContact O-N 3.19Å; I88-F97 HydrophobicContact CG2-CE1 4.19Å; I88-F97 HydrophobicContact CG2-CE2 3.83Å; I88-F97 HydrophobicContact CG2-CZ 3.61Å
89Y87.7Confident83.1Confident104 Ų10465.8 Ų65.841%0.40837%0.371SS..Hα-helixtrans-66.2-34.6175.6-69.1-64.7000112.7L85 G86 K87 L92 P93 F97L85-Y89 HydrophobicContact CB-CE2 4.47Å; L85-Y89 WeakPolarHBondContact O-CD2 3.39Å; L85-Y89 PolarHBondContact O-N 2.81Å; L85-Y89 VanDerWaalsContact O-N 3.1Å; G86-Y89 PolarHBondContact O-N 2.83Å; K87-Y89 VanDerWaalsContact C-N 3.34Å; Y89-L92 CarbonylContact O-C 3.59Å; Y89-P93 VanDerWaalsContact O-CA 3.25Å; Y89-P93 WeakPolarHBondContact O-CA 3.32Å; Y89-F97 AromaticContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CE2 4.37Å; Y89-F97 HydrophobicContact CE1-CB 4.16Å; Y89-F97 AromaticContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CE2 4.48Å; Y89-F97 HydrophobicContact CE1-CG 4.28Å
90E88Confident84Confident132 Ų13265.5 Ų65.562%0.61737%0.369SS*.Hα-helixtrans-65.9-41.8173.2-73.4-178.3-179.300112.8G86 K87 I88 L92 P93G86-E90 PolarHBondContact O-N 3.18Å; K87-E90 WeakPolarHBondContact CD-OE2 3.07Å; K87-E90 IonicContact NZ-OE2 3.97Å; K87-E90 PolarHBondContact NZ-OE2 3.34Å; K87-E90 PolarHBondContact O-N 3.21Å; I88-E90 VanDerWaalsContact C-N 3.34Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-P93 WeakPolarHBondContact O-CD 3.49Å
91L86.8Confident85Confident53 Ų5365.8 Ų65.828%0.27735%0.349SS..Hα-helixtrans-72.1-31.2-179.7-71.5172000112.1V35 A39 F45 K87 I88 P93V35-L91 HydrophobicContact CG1-CB 4.08Å; V35-L91 HydrophobicContact CG1-CD1 4.45Å; A39-L91 HydrophobicContact CB-CD1 3.79Å; F45-L91 HydrophobicContact CZ-CD1 4.33Å; K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 WeakPolarHBondContact O-CB 3.4Å; K87-L91 VanDerWaalsContact O-CG 3.3Å; K87-L91 WeakPolarHBondContact O-CG 3Å; K87-L91 PolarHBondContact O-N 3.42Å; I88-L91 PolarHBondContact O-N 2.63Å; L91-P93 VanDerWaalsContact C-CD 3.45Å
92L88.1Confident85.9Confident10 Ų1061.1 Ų61.15%0.05233%0.325CS..  trans-130.859.5-173.4-62.9170.1000111.4T31 V32 V35 L36 I88 Y89 E90 H94 I95 F97T31-L92 HydrophobicContact CG2-CD2 4.13Å; V32-L92 HydrophobicContact CB-CD1 4.34Å; V32-L92 HydrophobicContact CG1-CD1 4.27Å; V32-L92 HydrophobicContact CG2-CD1 4.14Å; V35-L92 HydrophobicContact CB-CD1 4.4Å; V35-L92 HydrophobicContact CB-CD2 3.93Å; V35-L92 HydrophobicContact CB-CG 4.42Å; V35-L92 HydrophobicContact CG1-CD1 4.43Å; V35-L92 HydrophobicContact CG1-CD2 4.05Å; V35-L92 HydrophobicContact CG1-CG 4.18Å; V35-L92 HydrophobicContact CG2-CD2 3.82Å; L36-L92 HydrophobicContact CD2-CD1 4.48Å; L36-L92 HydrophobicContact CG-CD1 4.42Å; I88-L92 WeakPolarHBondContact O-CB 3.4Å; I88-L92 PolarHBondContact O-N 3.19Å; Y89-L92 CarbonylContact O-C 3.59Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-H94 PolarHBondContact O-N 3.06Å; L92-I95 HydrophobicContact CB-CB 4.26Å; L92-I95 HydrophobicContact CB-CD1 4.06Å; L92-I95 HydrophobicContact CB-CG1 4.17Å; L92-I95 HydrophobicContact CD1-CD1 4.29Å; L92-I95 HydrophobicContact CD2-CD1 3.78Å; L92-I95 HydrophobicContact CG-CD1 4.26Å; L92-I95 PolarHBondContact O-N 2.82Å; L92-I95 VanDerWaalsContact O-N 3.13Å; L92-F97 HydrophobicContact CB-CE2 4.11Å; L92-F97 HydrophobicContact CB-CZ 4.11Å; L92-F97 HydrophobicContact CD1-CZ 3.83Å
93P87.4Confident86.3Confident89 Ų8964.7 Ų64.758%0.57834%0.338SS*.THydrogen-bonded Turntrans-68.8-21-172.628.9-35.9000113Y89 E90 L91 I95Y89-P93 VanDerWaalsContact O-CA 3.25Å; Y89-P93 WeakPolarHBondContact O-CA 3.32Å; E90-P93 WeakPolarHBondContact O-CD 3.49Å; L91-P93 VanDerWaalsContact C-CD 3.45Å; P93-I95 VanDerWaalsContact C-N 3.32Å
94H86.6Confident86.4Confident179 Ų17961.6 Ų61.683%0.82932%0.319SS*.THydrogen-bonded Turntrans-86-3.9179.5-58.8-60000113.4L92L92-H94 PolarHBondContact O-N 3.06Å
95I87.8Confident86.1Confident17 Ų1761.9 Ų61.99%0.08732%0.32CS..  trans-105.5125.4-174.2-55.2-170.6000109.6V24 T31 V32 L92 P93 F97V24-I95 HydrophobicContact CG1-CG2 3.96Å; T31-I95 HydrophobicContact CG2-CD1 4.13Å; V32-I95 HydrophobicContact CG2-CD1 3.41Å; V32-I95 VanDerWaalsContact CG2-CD1 3.41Å; V32-I95 HydrophobicContact CG2-CG2 4.01Å; L92-I95 HydrophobicContact CB-CB 4.26Å; L92-I95 HydrophobicContact CB-CD1 4.06Å; L92-I95 HydrophobicContact CB-CG1 4.17Å; L92-I95 HydrophobicContact CD1-CD1 4.29Å; L92-I95 HydrophobicContact CD2-CD1 3.78Å; L92-I95 HydrophobicContact CG-CD1 4.26Å; L92-I95 PolarHBondContact O-N 2.82Å; L92-I95 VanDerWaalsContact O-N 3.13Å; P93-I95 VanDerWaalsContact C-N 3.32Å; I95-F97 HydrophobicContact CB-CE2 4.03Å; I95-F97 HydrophobicContact CB-CZ 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.43Å; I95-F97 HydrophobicContact CG2-CE1 4.27Å; I95-F97 HydrophobicContact CG2-CE2 4.06Å; I95-F97 HydrophobicContact CG2-CZ 3.97Å; I95-F97 WeakPolarHBondContact O-CD2 3.36Å; I95-F97 PolarHBondContact O-N 2.75Å
96T87.8Confident85.4Confident98 Ų9865.3 Ų65.360%0.60134%0.335SS*.  trans-89.1101.4175.8-55.70000109.8P25P25-T96 WeakPolarHBondContact CD-O 3.47Å
97F88.7Confident84.1Confident17 Ų1770.9 Ų70.98%0.07535%0.35CS..  trans-76.1135.1170.7-60.6-86.5000110.2M22 V24 V32 I88 Y89 L92 I95 V100M22-F97 HydrophobicContact CB-CD1 4.13Å; M22-F97 HydrophobicContact CG-CD1 3.88Å; M22-F97 HydrophobicContact CG-CE1 4.34Å; M22-F97 HydrophobicContact SD-CD1 3.46Å; M22-F97 WeakPolarHBondContact SD-CD1 3.39Å; M22-F97 HydrophobicContact SD-CE1 3.57Å; M22-F97 VanDerWaalsContact SD-CE1 3.57Å; M22-F97 HydrophobicContact SD-CG 4.35Å; V24-F97 HydrophobicContact CG1-CD1 3.44Å; V24-F97 VanDerWaalsContact CG1-CD1 3.44Å; V24-F97 HydrophobicContact CG1-CE1 3.46Å; V24-F97 VanDerWaalsContact CG1-CE1 3.46Å; V24-F97 HydrophobicContact CG1-CG 4.42Å; V24-F97 HydrophobicContact CG1-CZ 4.45Å; V32-F97 HydrophobicContact CG1-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CE1 4.26Å; V32-F97 HydrophobicContact CG2-CZ 4.35Å; I88-F97 HydrophobicContact CG2-CE1 4.19Å; I88-F97 HydrophobicContact CG2-CE2 3.83Å; I88-F97 HydrophobicContact CG2-CZ 3.61Å; Y89-F97 AromaticContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CD2 3.89Å; Y89-F97 HydrophobicContact CD1-CE2 4.37Å; Y89-F97 HydrophobicContact CE1-CB 4.16Å; Y89-F97 AromaticContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CD2 3.6Å; Y89-F97 HydrophobicContact CE1-CE2 4.48Å; Y89-F97 HydrophobicContact CE1-CG 4.28Å; L92-F97 HydrophobicContact CB-CE2 4.11Å; L92-F97 HydrophobicContact CB-CZ 4.11Å; L92-F97 HydrophobicContact CD1-CZ 3.83Å; I95-F97 HydrophobicContact CB-CE2 4.03Å; I95-F97 HydrophobicContact CB-CZ 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.43Å; I95-F97 HydrophobicContact CG2-CE1 4.27Å; I95-F97 HydrophobicContact CG2-CE2 4.06Å; I95-F97 HydrophobicContact CG2-CZ 3.97Å; I95-F97 WeakPolarHBondContact O-CD2 3.36Å; I95-F97 PolarHBondContact O-N 2.75Å; F97-V100 HydrophobicContact CB-CG2 3.69Å
98K88.1Confident82.8Confident100 Ų10071.6 Ų71.644%0.43535%0.354SS..EExtended strand (participates in β ladder)trans-117.7157.4177.7-64.1-179.4-169167.70110.6K23 E66 V100K23-K98 HydrophobicContact CB-CB 4.18Å; K23-K98 WeakPolarHBondContact CB-O 3.4Å; K23-K98 PolarHBondContact N-O 2.92Å; K23-K98 PolarHBondContact O-N 2.87Å; E66-K98 WeakPolarHBondContact OE1-CD 3.27Å; E66-K98 IonicContact OE1-NZ 2.89Å; E66-K98 PolarHBondContact OE1-NZ 3.44Å; K98-V100 PolarHBondContact O-N 3.45Å; K98-V100 VanDerWaalsContact O-N 3.16Å
99A88.1Confident80.9Confident52 Ų5281.1 Ų81.143%0.4340%0.398SS..EExtended strand (participates in β ladder)trans45.948.5176.200000112K23 F101K23-A99 HydrophobicContact CD-CB 3.95Å; K23-A99 HydrophobicContact CG-CB 4.15Å; A99-F101 WeakPolarHBondContact O-CD1 3.33Å; A99-F101 VanDerWaalsContact O-CE1 3.32Å; A99-F101 WeakPolarHBondContact O-CE1 3.5Å; A99-F101 PolarHBondContact O-N 3.45Å
100V89.1Confident79.1Confident44 Ų4478.4 Ų78.427%0.26740%0.398SS..EExtended strand (participates in β ladder)trans-78.4116.6178.1-174.50000107.8T21 M22 L85 F97 K98T21-V100 WeakPolarHBondContact O-CA 3.34Å; M22-V100 HydrophobicContact CB-CG1 4.49Å; M22-V100 HydrophobicContact CB-CG2 3.93Å; L85-V100 HydrophobicContact CD1-CG1 4.02Å; L85-V100 HydrophobicContact CD2-CG1 3.71Å; F97-V100 HydrophobicContact CB-CG2 3.69Å; K98-V100 PolarHBondContact O-N 3.45Å; K98-V100 VanDerWaalsContact O-N 3.16Å
101F86.9Confident77.1Confident83 Ų8376.7 Ų76.736%0.36439%0.388SS..EExtended strand (participates in β ladder)trans-147.3156.917657.9-98000110T21 A99 K103T21-F101 HydrophobicContact CG2-CE1 4.36Å; T21-F101 HydrophobicContact CG2-CE2 4.03Å; T21-F101 HydrophobicContact CG2-CZ 3.69Å; T21-F101 PolarHBondContact N-O 3.35Å; T21-F101 PolarHBondContact O-N 3.06Å; A99-F101 WeakPolarHBondContact O-CD1 3.33Å; A99-F101 VanDerWaalsContact O-CE1 3.32Å; A99-F101 WeakPolarHBondContact O-CE1 3.5Å; A99-F101 PolarHBondContact O-N 3.45Å; F101-K103 HydrophobicContact CD2-CD 4.18Å; F101-K103 HydrophobicContact CD2-CG 3.82Å; F101-K103 HydrophobicContact CE2-CD 3.64Å; F101-K103 HydrophobicContact CE2-CG 3.81Å
102Y86.9Confident75.3Confident47 Ų4782.5 Ų82.518%0.18441%0.414CS..EExtended strand (participates in β ladder)trans-101.3141.8173.3-177.2-93.6000110G18 W20 N73 V76 V79 P104G18-Y102 WeakPolarHBondContact CA-OH 3.41Å; G18-Y102 PolarHBondContact N-OH 3.05Å; W20-Y102 AromaticContact CD1-CD2 3.5Å; W20-Y102 AromaticContact CD2-CD2 3.7Å; W20-Y102 HydrophobicContact CD2-CD2 3.7Å; W20-Y102 AromaticContact CD2-CE2 3.96Å; W20-Y102 HydrophobicContact CD2-CE2 3.96Å; W20-Y102 AromaticContact CE2-CD2 3.48Å; W20-Y102 VanDerWaalsContact CE2-CD2 3.48Å; W20-Y102 AromaticContact CE2-CE2 3.73Å; W20-Y102 HydrophobicContact CE3-CE2 4.4Å; W20-Y102 AromaticContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CD2 3.7Å; W20-Y102 HydrophobicContact CG-CE2 4.4Å; W20-Y102 HydrophobicContact CH2-CE2 4.42Å; W20-Y102 HydrophobicContact CZ2-CD2 4.13Å; W20-Y102 AromaticContact CZ2-CE2 3.96Å; W20-Y102 HydrophobicContact CZ2-CE2 3.96Å; W20-Y102 AromaticContact NE1-CD2 3.34Å; W20-Y102 VanDerWaalsContact NE1-CD2 3.34Å; N73-Y102 WeakPolarHBondContact OD1-CE2 3.21Å; N73-Y102 PolarHBondContact OD1-OH 2.82Å; V76-Y102 VanDerWaalsContact CA-OH 3.26Å; V76-Y102 WeakPolarHBondContact CA-OH 3.31Å; V76-Y102 HydrophobicContact CB-CE1 4.3Å; V76-Y102 WeakPolarHBondContact CB-OH 3.39Å; V76-Y102 HydrophobicContact CG2-CE1 3.51Å; V79-Y102 HydrophobicContact CB-CD1 4.36Å; V79-Y102 HydrophobicContact CB-CE1 4.25Å; V79-Y102 HydrophobicContact CB-CE2 4.41Å; V79-Y102 HydrophobicContact CG1-CD1 4.47Å; V79-Y102 HydrophobicContact CG1-CE1 4.48Å; V79-Y102 HydrophobicContact CG2-CD1 3.77Å; V79-Y102 HydrophobicContact CG2-CD2 3.6Å; V79-Y102 HydrophobicContact CG2-CE1 4.07Å; V79-Y102 HydrophobicContact CG2-CE2 3.84Å; V79-Y102 HydrophobicContact CG2-CG 3.51Å; Y102-P104 HydrophobicContact CE1-CG 4.3Å
103K84.6Confident73.5Confident95 Ų9584.5 Ų84.541%0.41344%0.437SS..EExtended strand (participates in β ladder)trans-126.5120.8172.3-78-176.1176.9-179.90110.2G18 V19 F101G18-K103 VanDerWaalsContact CA-O 3.31Å; G18-K103 WeakPolarHBondContact CA-O 2.88Å; V19-K103 HydrophobicContact CG1-CB 4.14Å; V19-K103 PolarHBondContact N-O 3.34Å; V19-K103 PolarHBondContact O-N 3.24Å; F101-K103 HydrophobicContact CD2-CD 4.18Å; F101-K103 HydrophobicContact CD2-CG 3.82Å; F101-K103 HydrophobicContact CE2-CD 3.64Å; F101-K103 HydrophobicContact CE2-CG 3.81Å
104P82.6Confident71.8Confident20 Ų2083.7 Ų83.713%0.1345%0.445CS..EExtended strand (participates in β ladder)trans-60.1145.5164.6-15.227.8000110.1V76 Y102 E106 E107V76-P104 HydrophobicContact CG2-CB 3.98Å; V76-P104 HydrophobicContact CG2-CG 4.04Å; Y102-P104 HydrophobicContact CE1-CG 4.3Å; P104-E106 VanDerWaalsContact C-N 3.31Å; P104-E107 HydrophobicContact CB-CB 4.33Å; P104-E107 HydrophobicContact CB-CG 4.23Å; P104-E107 HydrophobicContact CG-CB 4.34Å; P104-E107 HydrophobicContact CG-CG 4.06Å
105H75.6Confident69.7Low5 Ų581.8 Ų81.82%0.02345%0.45CS..SBendtrans-70.7-29.2171.6-66.6154.3000112.4N14 G17 G18 W72 E107 H108N14-H105 PolarHBondContact O-ND1 2.83Å; G17-H105 PolarHBondContact O-N 2.79Å; G17-H105 VanDerWaalsContact O-N 3.08Å; G18-H105 PolarHBondContact O-CE1 2.92Å; W72-H105 AromaticContact CE3-CE1 3.41Å; W72-H105 VanDerWaalsContact CE3-CE1 3.41Å; W72-H105 AromaticContact CE3-NE2 3.55Å; W72-H105 AromaticContact CZ3-CE1 3.53Å; W72-H105 AromaticContact CZ3-NE2 3.44Å; W72-H105 WeakPolarHBondContact CZ3-NE2 3.29Å; H105-E107 VanDerWaalsContact C-N 3.27Å; H105-E107 PolarHBondContact O-N 3.03Å; H105-H108 WeakPolarHBondContact O-CB 3.22Å; H105-H108 PolarHBondContact O-N 3.34Å
106E67.1Low67.6Low126 Ų12683.9 Ų83.959%0.58948%0.476SS*.THydrogen-bonded Turntrans-62.4-31.1176.4-63-171.7169.500113.4P104P104-E106 VanDerWaalsContact C-N 3.31Å
107E58.4Low65.3Low155 Ų15589.1 Ų89.172%0.72449%0.49SS*.THydrogen-bonded Turntrans-89.90.4179.9-68.1-176.5-177.400113.2P104 H105 H109P104-E107 HydrophobicContact CB-CB 4.33Å; P104-E107 HydrophobicContact CB-CG 4.23Å; P104-E107 HydrophobicContact CG-CB 4.34Å; P104-E107 HydrophobicContact CG-CG 4.06Å; H105-E107 VanDerWaalsContact C-N 3.27Å; H105-E107 PolarHBondContact O-N 3.03Å; E107-H109 PolarHBondContact O-N 2.66Å
108H55.7Low63Low75 Ų75101.1 Ų101.135%0.34755%0.546SS..  trans-69121.5-179.9-152.7-92.6000109.1H105 A110 F111H105-H108 WeakPolarHBondContact O-CB 3.22Å; H105-H108 PolarHBondContact O-N 3.34Å; H108-A110 PolarHBondContact O-N 3.01Å; H108-F111 VanDerWaalsContact O-CB 3.31Å; H108-F111 WeakPolarHBondContact O-CB 3.42Å; H108-F111 PolarHBondContact O-N 2.74Å
109H46.4Very low61.7Low202 Ų202101.2 Ų101.294%0.93555%0.551SS**THydrogen-bonded Turntrans-59.7-4.8-172.9-146.4-67.4000115.3E107E107-H109 PolarHBondContact O-N 2.66Å
110A50.8Low60.3Low48 Ų48103.7 Ų103.740%0.39756%0.558SS.*THydrogen-bonded Turntrans-106.25.4176.300000113W9 H108 E112W9-A110 HydrophobicContact CH2-CB 3.83Å; W9-A110 WeakPolarHBondContact CH2-O 3.19Å; W9-A110 HydrophobicContact CZ2-CB 3.94Å; W9-A110 HydrophobicContact CZ3-CB 4.49Å; W9-A110 WeakPolarHBondContact CZ3-O 2.93Å; H108-A110 PolarHBondContact O-N 3.01Å; A110-E112 PolarHBondContact O-N 2.79Å
111F46.7Very low58.7Low95 Ų95107.1 Ų107.142%0.41757%0.574SS.*  trans-63.685.6177.2-171.9-101.8000110.4A15 H108 G113A15-F111 HydrophobicContact CB-CE2 4.36Å; H108-F111 VanDerWaalsContact O-CB 3.31Å; H108-F111 WeakPolarHBondContact O-CB 3.42Å; H108-F111 PolarHBondContact O-N 2.74Å; F111-G113 PolarHBondContact O-N 2.62Å
112E48.7Very low57.1Low176 Ų176108.5 Ų108.582%0.82259%0.586SS**  trans-74.180.7160.1-69.8-167.9166.400106.8A110 G114A110-E112 PolarHBondContact O-N 2.79Å; E112-G114 PolarHBondContact O-N 3.39Å
113G49.7Very low55.2Low52 Ų52112.3 Ų112.354%0.53661%0.611SS.*  trans-59.690.8168.100000109.7F111F111-G113 PolarHBondContact O-N 2.62Å
114G51.3Low53.3Low71 Ų71113.5 Ų113.573%0.73263%0.625SS**  trans74.7110.3165.600000116.2E112E112-G114 PolarHBondContact O-N 3.39Å
115C42.8Very low51.2Low139 Ų139120.1 Ų120.194%0.93966%0.66SS**  trans-161.2120.9132.6-1630000111.9
116G43.4Very low49.3Very low61 Ų61129 Ų12963%0.62971%0.709SS**  trans114.273.1145.200000117.4
117K39.4Very low47.8Very low209 Ų209129.3 Ų129.391%0.90972%0.719SS**  trans-139.697.4135.8-65.8-164.9-179.8-179.30109.2
118H40.3Very low46.8Very low268 Ų268126.9 Ų126.9100%1.24172%0.719SS**  trans-76.70153.6-80.865000108.5

Retrieved 118 of 118 residues in 102.6 ms (Link to these results)