A0A077Z8G9_TRITR Loading...

Queuine tRNA-ribosyltransferase accessory subunit 2

Non-catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine).

AlphaFold DB , UniProt , Accession A0A077Z8G9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 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
1M86Confident83.3Confident32 Ų3272.3 Ų72.316%0.15839%0.39CS..  0142.80-173.8-167.9-76.500107.3I18 E20 W21 C149 F193 Q219 L256M1-I18 HydrophobicContact CG-CG2 4.1Å; M1-E20 CarbonylContact C-O 3.45Å; M1-E20 WeakPolarHBondContact CA-O 3.35Å; M1-E20 WeakPolarHBondContact CA-OE1 3.37Å; M1-E20 WeakPolarHBondContact CB-O 3.27Å; M1-E20 WeakPolarHBondContact CG-O 3.43Å; M1-E20 PolarHBondContact N-OE1 2.82Å; M1-W21 HydrophobicContact CE-CD2 4.12Å; M1-W21 HydrophobicContact CE-CE3 3.55Å; M1-W21 HydrophobicContact CE-CH2 4.05Å; M1-W21 HydrophobicContact CE-CZ3 3.51Å; M1-C149 HydrophobicContact CE-CB 4.31Å; M1-C149 WeakPolarHBondContact CE-SG 3.36Å; M1-F193 HydrophobicContact CE-CE2 3.62Å; M1-F193 HydrophobicContact CE-CZ 3.75Å; M1-F193 HydrophobicContact SD-CZ 4.38Å; M1-Q219 VanDerWaalsContact CA-OE1 3.31Å; M1-Q219 HydrophobicContact CB-CB 4.24Å; M1-Q219 HydrophobicContact CB-CG 4.31Å; M1-Q219 HydrophobicContact CE-CB 4.19Å; M1-Q219 HydrophobicContact SD-CB 4.19Å; M1-L256 HydrophobicContact CE-CD1 3.88Å; M1-L256 HydrophobicContact SD-CD1 3.35Å; M1-L256 WeakPolarHBondContact SD-CD1 3.39Å; M1-L256 HydrophobicContact SD-CG 4.03Å
2K90.5Very high82.2Confident121 Ų12168.7 Ų68.753%0.52637%0.372SS..EExtended strand (participates in β ladder)trans-125.7109.3174.3-68.9179.9-174.8173.90108.5I18 T19 E20K2-I18 WeakPolarHBondContact O-CA 3.44Å; K2-T19 WeakPolarHBondContact CB-OG1 3.17Å; K2-T19 PolarHBondContact O-N 3.37Å; K2-E20 HydrophobicContact CB-CB 3.99Å; K2-E20 HydrophobicContact CD-CB 4.35Å; K2-E20 WeakPolarHBondContact CE-OE2 3.38Å; K2-E20 HydrophobicContact CG-CB 4.08Å; K2-E20 PolarHBondContact N-O 2.8Å; K2-E20 IonicContact NZ-OE2 3.96Å
3F94.9Very high82.1Confident15 Ų1563.9 Ų63.97%0.06635%0.349CS..EExtended strand (participates in β ladder)trans-111.9127.9174174.4-114.1000108.8Y17 I18 T30 L256F3-Y17 CarbonylContact C-O 3.53Å; F3-Y17 WeakPolarHBondContact CA-O 3.49Å; F3-Y17 WeakPolarHBondContact CD2-O 3.07Å; F3-I18 HydrophobicContact CD2-CG1 3.91Å; F3-T30 HydrophobicContact CE2-CG2 3.85Å; F3-L256 HydrophobicContact CB-CD2 4.42Å; F3-L256 HydrophobicContact CB-CG 4.23Å; F3-L256 HydrophobicContact CD1-CD2 4.15Å; F3-L256 HydrophobicContact CD1-CG 4.44Å; F3-L256 HydrophobicContact CD2-CD2 3.44Å; F3-L256 VanDerWaalsContact CD2-CD2 3.44Å; F3-L256 HydrophobicContact CD2-CG 4.17Å; F3-L256 HydrophobicContact CE1-CD2 4.27Å; F3-L256 HydrophobicContact CE2-CD2 3.56Å; F3-L256 HydrophobicContact CG-CD2 3.74Å; F3-L256 HydrophobicContact CG-CG 4.03Å; F3-L256 HydrophobicContact CZ-CD2 3.99Å
4T94.1Very high82.7Confident83 Ų8361.4 Ų61.451%0.50933%0.331SS..EExtended strand (participates in β ladder)trans-118.5122.1176.5-55.40000108.5R6 G16 Y17T4-R6 PolarHBondContact O-N 3.01Å; T4-G16 CarbonylContact O-C 3.56Å; T4-G16 WeakPolarHBondContact O-CA 3.4Å; T4-Y17 PolarHBondContact N-O 2.96Å; T4-Y17 PolarHBondContact O-N 3.48Å
5L91.2Very high83.2Confident50 Ų5057.5 Ų57.526%0.26231%0.311SS..EExtended strand (participates in β ladder)trans-71.5123.5171.8-17869.2000108.7T8 R14 C15L5-T8 HydrophobicContact CD1-CG2 4.37Å; L5-T8 HydrophobicContact CD2-CG2 4.12Å; L5-R14 HydrophobicContact CD1-CB 3.76Å; L5-C15 WeakPolarHBondContact CD1-O 3.19Å
6R86.5Confident83.8Confident74 Ų7453.9 Ų53.928%0.27929%0.292SS..EExtended strand (participates in β ladder)trans-78.7-43.9173.2-174.6-171.5-177.9167.9-3.5110.5T4 C15 Y17 E375 Y379T4-R6 PolarHBondContact O-N 3.01Å; R6-C15 WeakPolarHBondContact CA-O 3.42Å; R6-C15 WeakPolarHBondContact CB-O 3.49Å; R6-C15 PolarHBondContact N-O 3.16Å; R6-Y17 HydrophobicContact CB-CD2 4.19Å; R6-Y17 HydrophobicContact CB-CE2 3.75Å; R6-Y17 WeakPolarHBondContact CD-OH 3.49Å; R6-Y17 HydrophobicContact CG-CE2 3.84Å; R6-Y17 PolarHBondContact NH1-OH 3.28Å; R6-E375 IonicContact CZ-OE1 3.63Å; R6-E375 IonicContact NH1-OE1 3.68Å; R6-E375 PolarHBondContact NH1-OE1 3.29Å; R6-E375 IonicContact NH2-OE1 3.58Å; R6-Y379 VanDerWaalsContact NH2-CE2 3.3Å; R6-Y379 PolarHBondContact NH2-OH 3.17Å
7G81.7Confident84.5Confident15 Ų1553.7 Ų53.716%0.15529%0.286CS..EExtended strand (participates in β ladder)trans179.9167.9-179.900000112.7R14 C15 F378G7-R14 WeakPolarHBondContact O-CA 3.41Å; G7-C15 PolarHBondContact N-O 3.06Å; G7-C15 PolarHBondContact O-N 3.24Å; G7-F378 WeakPolarHBondContact O-CZ 3.34Å
8T79.1Confident85.2Confident88 Ų8850.7 Ų50.754%0.5427%0.27SS..EExtended strand (participates in β ladder)trans-123.7134.1172.146.30000107.9L5 R14L5-T8 HydrophobicContact CD1-CG2 4.37Å; L5-T8 HydrophobicContact CD2-CG2 4.12Å; T8-R14 HydrophobicContact CG2-CB 3.83Å
9M72.8Confident85.7Confident71 Ų7151.1 Ų51.135%0.3528%0.275SS..EExtended strand (participates in β ladder)trans-131.4133173.8-176.1173.1-173.600110.7G11 V12 G13 N377 F378M9-G11 PolarHBondContact O-N 2.84Å; M9-V12 HydrophobicContact CB-CB 4.09Å; M9-V12 HydrophobicContact CB-CG2 4.48Å; M9-V12 HydrophobicContact CG-CB 4.34Å; M9-V12 HydrophobicContact CG-CG2 4.21Å; M9-V12 PolarHBondContact O-N 2.84Å; M9-V12 VanDerWaalsContact O-N 3.12Å; M9-V12 HydrophobicContact SD-CG2 4.12Å; M9-G13 PolarHBondContact N-O 2.83Å; M9-G13 PolarHBondContact O-N 2.83Å; M9-N377 HydrophobicContact CE-CB 3.86Å; M9-N377 HydrophobicContact SD-CB 3.37Å; M9-N377 WeakPolarHBondContact SD-CB 3.28Å; M9-F378 HydrophobicContact CB-CE1 4.09Å; M9-F378 HydrophobicContact CB-CZ 4.03Å
10E70Confident86.2Confident194 Ų19450.9 Ų50.991%0.90727%0.272SS*.THydrogen-bonded Turntrans-59.3134.7178.5-165.2169.8-172.700110.4V12E10-V12 PolarHBondContact O-N 3.42Å
11G69.9Low86.6Confident52 Ų5248.6 Ų48.654%0.53626%0.259SS..THydrogen-bonded Turntrans76-7.7-176.800000115.9M9 K273M9-G11 PolarHBondContact O-N 2.84Å; G11-K273 WeakPolarHBondContact O-CD 3.1Å; G11-K273 WeakPolarHBondContact O-CE 3.43Å; G11-K273 WeakPolarHBondContact O-CG 3.34Å
12V69.4Low86.8Confident29 Ų2947.5 Ų47.518%0.17626%0.255CS..THydrogen-bonded Turntrans-115.5-36.6-178.5174.20000111.5M9 E10 V374 N377M9-V12 HydrophobicContact CB-CB 4.09Å; M9-V12 HydrophobicContact CB-CG2 4.48Å; M9-V12 HydrophobicContact CG-CB 4.34Å; M9-V12 HydrophobicContact CG-CG2 4.21Å; M9-V12 PolarHBondContact O-N 2.84Å; M9-V12 VanDerWaalsContact O-N 3.12Å; M9-V12 HydrophobicContact SD-CG2 4.12Å; E10-V12 PolarHBondContact O-N 3.42Å; V12-V374 HydrophobicContact CG1-CB 3.76Å; V12-V374 HydrophobicContact CG1-CG1 3.73Å; V12-V374 HydrophobicContact CG1-CG2 3.43Å; V12-V374 VanDerWaalsContact CG1-CG2 3.43Å; V12-N377 HydrophobicContact CG2-CB 4.27Å
13G81.6Confident86.6Confident7 Ų744.3 Ų44.37%0.07226%0.257CS..EExtended strand (participates in β ladder)trans101.6-153.5-17600000111.9M9 A272M9-G13 PolarHBondContact N-O 2.83Å; M9-G13 PolarHBondContact O-N 2.83Å; G13-A272 WeakPolarHBondContact CA-O 3.46Å
14R89.7Confident86.4Confident28 Ų2847.5 Ų47.511%0.10627%0.269CS..EExtended strand (participates in β ladder)trans-114.1144.7-17955.4175.653.9120-5.2112.6L5 G7 T8 G275 D277L5-R14 HydrophobicContact CD1-CB 3.76Å; G7-R14 WeakPolarHBondContact O-CA 3.41Å; T8-R14 HydrophobicContact CG2-CB 3.83Å; R14-G275 WeakPolarHBondContact CD-O 3.21Å; R14-G275 PolarHBondContact NH1-O 3.41Å; R14-D277 WeakPolarHBondContact CD-OD1 3.34Å
15C90.4Very high86.4Confident4 Ų452.3 Ų52.33%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-118.6138.3171-173.10000109.4L5 R6 G7 T30 V374 F378L5-C15 WeakPolarHBondContact CD1-O 3.19Å; R6-C15 WeakPolarHBondContact CA-O 3.42Å; R6-C15 WeakPolarHBondContact CB-O 3.49Å; R6-C15 PolarHBondContact N-O 3.16Å; G7-C15 PolarHBondContact N-O 3.06Å; G7-C15 PolarHBondContact O-N 3.24Å; C15-T30 WeakPolarHBondContact CA-O 3.28Å; C15-T30 PolarHBondContact SG-O 2.94Å; C15-V374 HydrophobicContact CB-CG1 3.59Å; C15-F378 HydrophobicContact CB-CE2 3.83Å
16G93.4Very high86.6Confident0 Ų050.6 Ų50.60%028%0.277CS..EExtended strand (participates in β ladder)trans-150.2175.4173.400000112.3T4 Q29 T30T4-G16 CarbonylContact O-C 3.56Å; T4-G16 WeakPolarHBondContact O-CA 3.4Å; G16-Q29 CarbonylContact O-C 3.55Å; G16-Q29 WeakPolarHBondContact O-CA 3.48Å; G16-T30 PolarHBondContact N-OG1 3.04Å; G16-T30 PolarHBondContact O-N 3.06Å
17Y95.2Very high87Confident50 Ų5053.1 Ų53.120%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-119.8136-179.4-60-80000110.1F3 T4 R6 L28 Q29F3-Y17 CarbonylContact C-O 3.53Å; F3-Y17 WeakPolarHBondContact CA-O 3.49Å; F3-Y17 WeakPolarHBondContact CD2-O 3.07Å; T4-Y17 PolarHBondContact N-O 2.96Å; T4-Y17 PolarHBondContact O-N 3.48Å; R6-Y17 HydrophobicContact CB-CD2 4.19Å; R6-Y17 HydrophobicContact CB-CE2 3.75Å; R6-Y17 WeakPolarHBondContact CD-OH 3.49Å; R6-Y17 HydrophobicContact CG-CE2 3.84Å; R6-Y17 PolarHBondContact NH1-OH 3.28Å; Y17-L28 CarbonylContact C-O 3.57Å; Y17-L28 VanDerWaalsContact CA-O 3.28Å; Y17-L28 WeakPolarHBondContact CA-O 3.06Å; Y17-Q29 HydrophobicContact CD1-CG 3.9Å; Y17-Q29 HydrophobicContact CE1-CG 3.79Å
18I96.4Very high87.7Confident0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-103.2117.7167-49.4164.6000106.5M1 K2 F3 E20 W21 V26 L28 T30 M32 L256M1-I18 HydrophobicContact CG-CG2 4.1Å; K2-I18 WeakPolarHBondContact O-CA 3.44Å; F3-I18 HydrophobicContact CD2-CG1 3.91Å; I18-E20 WeakPolarHBondContact CG2-O 3.28Å; I18-W21 HydrophobicContact CD1-CE3 4.22Å; I18-W21 HydrophobicContact CD1-CZ3 4.1Å; I18-W21 HydrophobicContact CG2-CE3 4.27Å; I18-V26 HydrophobicContact CG2-CG2 4.05Å; I18-L28 HydrophobicContact CB-CB 4.06Å; I18-L28 HydrophobicContact CB-CD1 4.34Å; I18-L28 HydrophobicContact CD1-CB 4.2Å; I18-L28 HydrophobicContact CD1-CD1 4.11Å; I18-L28 HydrophobicContact CG1-CB 4.46Å; I18-L28 PolarHBondContact N-O 3.29Å; I18-L28 PolarHBondContact O-N 3.26Å; I18-T30 HydrophobicContact CD1-CG2 4.2Å; I18-T30 HydrophobicContact CG1-CG2 4.39Å; I18-M32 HydrophobicContact CD1-CE 4.07Å; I18-L256 HydrophobicContact CD1-CD1 3.57Å; I18-L256 HydrophobicContact CD1-CD2 4.09Å; I18-L256 HydrophobicContact CD1-CG 4.46Å; I18-L256 HydrophobicContact CG1-CD1 4.07Å; I18-L256 HydrophobicContact CG1-CD2 4.2Å
19T96.2Very high88.4Confident58 Ų5850.3 Ų50.336%0.35627%0.269SS..EExtended strand (participates in β ladder)trans-102.8-12.6178.463.20000112.7K2 V26K2-T19 WeakPolarHBondContact CB-OG1 3.17Å; K2-T19 PolarHBondContact O-N 3.37Å; T19-V26 CarbonylContact C-O 3.47Å; T19-V26 WeakPolarHBondContact CA-O 3.33Å; T19-V26 PolarHBondContact O-N 3.36Å
20E94.7Very high89.5Confident47 Ų4747 Ų4722%0.2225%0.252CS..EExtended strand (participates in β ladder)trans-146.2127.3176.4-172.8-157.2103.800110.1M1 K2 I18 R24M1-E20 CarbonylContact C-O 3.45Å; M1-E20 WeakPolarHBondContact CA-O 3.35Å; M1-E20 WeakPolarHBondContact CA-OE1 3.37Å; M1-E20 WeakPolarHBondContact CB-O 3.27Å; M1-E20 WeakPolarHBondContact CG-O 3.43Å; M1-E20 PolarHBondContact N-OE1 2.82Å; K2-E20 HydrophobicContact CB-CB 3.99Å; K2-E20 HydrophobicContact CD-CB 4.35Å; K2-E20 WeakPolarHBondContact CE-OE2 3.38Å; K2-E20 HydrophobicContact CG-CB 4.08Å; K2-E20 PolarHBondContact N-O 2.8Å; K2-E20 IonicContact NZ-OE2 3.96Å; I18-E20 WeakPolarHBondContact CG2-O 3.28Å; E20-R24 CarbonylContact C-O 3.4Å; E20-R24 WeakPolarHBondContact CA-O 3.44Å
21W93.9Very high90.7Very high2 Ų237.8 Ų37.81%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-118.7107.8175.2-173.5-87.3000110M1 I18 G23 R24 V26 V64 L101 V102 F103 C149 L256M1-W21 HydrophobicContact CE-CD2 4.12Å; M1-W21 HydrophobicContact CE-CE3 3.55Å; M1-W21 HydrophobicContact CE-CH2 4.05Å; M1-W21 HydrophobicContact CE-CZ3 3.51Å; I18-W21 HydrophobicContact CD1-CE3 4.22Å; I18-W21 HydrophobicContact CD1-CZ3 4.1Å; I18-W21 HydrophobicContact CG2-CE3 4.27Å; W21-G23 PolarHBondContact O-N 2.83Å; W21-R24 PolarHBondContact N-O 3.22Å; W21-R24 WeakPolarHBondContact O-CB 3.41Å; W21-R24 PolarHBondContact O-N 3.44Å; W21-R24 VanDerWaalsContact O-N 3.08Å; W21-V26 HydrophobicContact CB-CG1 4.1Å; W21-V26 HydrophobicContact CB-CG2 3.97Å; W21-V64 HydrophobicContact CD2-CG2 4.49Å; W21-V64 HydrophobicContact CH2-CG1 4.09Å; W21-V64 HydrophobicContact CH2-CG2 4.45Å; W21-V64 HydrophobicContact CZ2-CG1 3.58Å; W21-V64 HydrophobicContact CZ2-CG2 4.36Å; W21-L101 HydrophobicContact CB-CD1 4.42Å; W21-L101 HydrophobicContact CB-CD2 4.37Å; W21-L101 HydrophobicContact CG-CD1 4.48Å; W21-L101 HydrophobicContact CG-CD2 4.45Å; W21-V102 PolarHBondContact NE1-O 3.49Å; W21-F103 AromaticContact CH2-CD2 3.84Å; W21-F103 HydrophobicContact CH2-CD2 3.84Å; W21-F103 HydrophobicContact CZ2-CB 3.99Å; W21-F103 AromaticContact CZ2-CD2 3.8Å; W21-F103 HydrophobicContact CZ2-CD2 3.8Å; W21-F103 HydrophobicContact CZ2-CG 4.39Å; W21-C149 HydrophobicContact CH2-CB 4.25Å; W21-C149 HydrophobicContact CZ2-CB 3.6Å; W21-L256 HydrophobicContact CZ3-CD1 3.88Å
22A90.5Very high91.8Very high9 Ų935.4 Ų35.47%0.07418%0.184CC..THydrogen-bonded Turntrans47.353.2-177.200000113.3R24 G148 V189A22-R24 VanDerWaalsContact C-N 3.25Å; A22-R24 PolarHBondContact O-N 3.25Å; A22-G148 VanDerWaalsContact CB-C 3.41Å; A22-G148 WeakPolarHBondContact CB-O 3.23Å; A22-V189 VanDerWaalsContact O-CG1 3.28Å; A22-V189 WeakPolarHBondContact O-CG1 3.11Å
23G87.7Confident93.1Very high55 Ų5534.5 Ų34.557%0.56718%0.178SC*.THydrogen-bonded Turntrans78.9-3.9178.700000115.6W21W21-G23 PolarHBondContact O-N 2.83Å
24R90.8Very high93.9Very high81 Ų8134.1 Ų34.131%0.30618%0.175SC..EExtended strand (participates in β ladder)trans-95.5131.8174-62.5-179.5171.5-156.3-7.7110.6E20 W21 A22 V26 D98E20-R24 CarbonylContact C-O 3.4Å; E20-R24 WeakPolarHBondContact CA-O 3.44Å; W21-R24 PolarHBondContact N-O 3.22Å; W21-R24 WeakPolarHBondContact O-CB 3.41Å; W21-R24 PolarHBondContact O-N 3.44Å; W21-R24 VanDerWaalsContact O-N 3.08Å; A22-R24 VanDerWaalsContact C-N 3.25Å; A22-R24 PolarHBondContact O-N 3.25Å; R24-V26 HydrophobicContact CB-CG1 4.49Å; R24-D98 PolarHBondContact NH1-O 2.87Å; R24-D98 PolarHBondContact NH2-O 3.08Å
25E94.2Very high94.2Very high185 Ų18533 Ų3386%0.86417%0.171SC*.EExtended strand (participates in β ladder)trans-66.8130.4170.7-172.1175.2-176.700110
26V95.4Very high94.5Very high13 Ų1332.9 Ų32.98%0.07917%0.17CC..EExtended strand (participates in β ladder)trans-144.4166-176.8-61.80000109.5I18 T19 W21 R24 L28 L101I18-V26 HydrophobicContact CG2-CG2 4.05Å; T19-V26 CarbonylContact C-O 3.47Å; T19-V26 WeakPolarHBondContact CA-O 3.33Å; T19-V26 PolarHBondContact O-N 3.36Å; W21-V26 HydrophobicContact CB-CG1 4.1Å; W21-V26 HydrophobicContact CB-CG2 3.97Å; R24-V26 HydrophobicContact CB-CG1 4.49Å; V26-L28 HydrophobicContact CB-CD1 4.43Å; V26-L28 HydrophobicContact CB-CG 4.14Å; V26-L28 HydrophobicContact CG2-CD1 4.05Å; V26-L28 HydrophobicContact CG2-CG 4.01Å; V26-L101 HydrophobicContact CB-CD1 4.36Å; V26-L101 HydrophobicContact CG1-CD1 3.63Å; V26-L101 HydrophobicContact CG1-CD2 3.86Å; V26-L101 HydrophobicContact CG1-CG 4.35Å
27H94.8Very high94.5Very high127 Ų12732.9 Ų32.959%0.58817%0.17SC*.EExtended strand (participates in β ladder)trans-132.689.7169.5-16470.1000108.8
28L95.3Very high94.2Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-117.1147.1-178.9-46.8171.6000109.9Y17 I18 V26 M32 Q62 V64 L101Y17-L28 CarbonylContact C-O 3.57Å; Y17-L28 VanDerWaalsContact CA-O 3.28Å; Y17-L28 WeakPolarHBondContact CA-O 3.06Å; I18-L28 HydrophobicContact CB-CB 4.06Å; I18-L28 HydrophobicContact CB-CD1 4.34Å; I18-L28 HydrophobicContact CD1-CB 4.2Å; I18-L28 HydrophobicContact CD1-CD1 4.11Å; I18-L28 HydrophobicContact CG1-CB 4.46Å; I18-L28 PolarHBondContact N-O 3.29Å; I18-L28 PolarHBondContact O-N 3.26Å; V26-L28 HydrophobicContact CB-CD1 4.43Å; V26-L28 HydrophobicContact CB-CG 4.14Å; V26-L28 HydrophobicContact CG2-CD1 4.05Å; V26-L28 HydrophobicContact CG2-CG 4.01Å; L28-M32 HydrophobicContact CB-SD 4.08Å; L28-M32 HydrophobicContact CD1-CE 4.11Å; L28-M32 HydrophobicContact CD1-SD 3.97Å; L28-M32 HydrophobicContact CD2-SD 4.38Å; L28-M32 HydrophobicContact CG-SD 4.38Å; L28-Q62 HydrophobicContact CD2-CB 3.85Å; L28-Q62 VanDerWaalsContact CD2-O 3.24Å; L28-Q62 WeakPolarHBondContact CD2-O 3.48Å; L28-V64 HydrophobicContact CD1-CG2 3.99Å; L28-L101 HydrophobicContact CD1-CD1 3.81Å; L28-L101 HydrophobicContact CD2-CD1 4.29Å
29Q94.8Very high93.6Very high45 Ų4534.7 Ų34.721%0.2119%0.187CC..EExtended strand (participates in β ladder)trans-114.1142.1176.5-60.3178.7-13.800110.4G16 Y17 Q61G16-Q29 CarbonylContact O-C 3.55Å; G16-Q29 WeakPolarHBondContact O-CA 3.48Å; Y17-Q29 HydrophobicContact CD1-CG 3.9Å; Y17-Q29 HydrophobicContact CE1-CG 3.79Å; Q29-Q61 PolarHBondContact O-NE2 3.35Å
30T94.8Very high93.3Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-103.8148.5171.368.50000111F3 C15 G16 I18 L256 D277F3-T30 HydrophobicContact CE2-CG2 3.85Å; C15-T30 WeakPolarHBondContact CA-O 3.28Å; C15-T30 PolarHBondContact SG-O 2.94Å; G16-T30 PolarHBondContact N-OG1 3.04Å; G16-T30 PolarHBondContact O-N 3.06Å; I18-T30 HydrophobicContact CD1-CG2 4.2Å; I18-T30 HydrophobicContact CG1-CG2 4.39Å; T30-L256 HydrophobicContact CG2-CD2 3.79Å; T30-D277 HydrophobicContact CG2-CB 4.05Å
31P94.6Very high93.1Very high2 Ų233.4 Ų33.41%0.01318%0.176CC..SBendcis-65.1145.9-0.5-22.134.7000114A272 D277 F279 F367 I370P31-A272 HydrophobicContact CG-CB 4.21Å; P31-D277 CarbonylContact C-O 3.55Å; P31-D277 VanDerWaalsContact CA-O 3.25Å; P31-D277 WeakPolarHBondContact CA-O 3.43Å; P31-F279 HydrophobicContact CB-CE2 4.17Å; P31-F367 HydrophobicContact CB-CD1 4.17Å; P31-F367 HydrophobicContact CB-CE1 3.87Å; P31-F367 WeakPolarHBondContact O-CD1 3.38Å; P31-I370 HydrophobicContact CB-CG2 4.4Å; P31-I370 HydrophobicContact CG-CG2 3.99Å
32M94.1Very high93.1Very high1 Ų133.3 Ų33.31%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-131141.8-175.2-176.6171.564.900112.4I18 L28 L34 V64 D277 L278 F279I18-M32 HydrophobicContact CD1-CE 4.07Å; L28-M32 HydrophobicContact CB-SD 4.08Å; L28-M32 HydrophobicContact CD1-CE 4.11Å; L28-M32 HydrophobicContact CD1-SD 3.97Å; L28-M32 HydrophobicContact CD2-SD 4.38Å; L28-M32 HydrophobicContact CG-SD 4.38Å; M32-L34 HydrophobicContact CE-CD2 3.95Å; M32-V64 HydrophobicContact CE-CB 4.22Å; M32-V64 HydrophobicContact CE-CG2 3.57Å; M32-V64 HydrophobicContact SD-CG2 4.11Å; M32-D277 PolarHBondContact N-O 2.93Å; M32-L278 HydrophobicContact CB-CD2 4.1Å; M32-L278 HydrophobicContact CE-CD2 3.67Å; M32-F279 PolarHBondContact O-N 3.37Å
33L96.9Very high93.2Very high10 Ų1033.6 Ų33.65%0.05218%0.177CC..EExtended strand (participates in β ladder)trans-86128.8169.4-171.369.2000111.1F279 Y363 L364 F367L33-F279 CarbonylContact C-O 3.57Å; L33-Y363 HydrophobicContact CD1-CD1 3.9Å; L33-L364 HydrophobicContact CD2-CD2 3.83Å; L33-L364 HydrophobicContact CD2-CG 4.2Å; L33-F367 HydrophobicContact CB-CD1 4.46Å; L33-F367 HydrophobicContact CB-CD2 3.59Å; L33-F367 HydrophobicContact CB-CE2 3.85Å; L33-F367 HydrophobicContact CB-CG 3.92Å; L33-F367 HydrophobicContact CB-CZ 4.41Å; L33-F367 HydrophobicContact CD1-CD2 4.06Å; L33-F367 HydrophobicContact CD1-CE2 3.62Å; L33-F367 HydrophobicContact CD1-CZ 4.36Å; L33-F367 HydrophobicContact CD2-CD2 4.45Å; L33-F367 HydrophobicContact CG-CD2 4.25Å; L33-F367 HydrophobicContact CG-CE2 4.27Å
34L97.4Very high93.4Very high0 Ų034.8 Ų34.80%017%0.168CC..EExtended strand (participates in β ladder)trans-90.6127.5164.7-48.1-179.2000108.7M32 H36 V64 L66 F103 Y258 L278 F279 D280 S281M32-L34 HydrophobicContact CE-CD2 3.95Å; L34-H36 PolarHBondContact O-N 3.42Å; L34-V64 CarbonylContact C-O 3.42Å; L34-V64 VanDerWaalsContact CA-O 3.3Å; L34-V64 WeakPolarHBondContact CA-O 3.49Å; L34-V64 HydrophobicContact CD2-CB 3.69Å; L34-V64 HydrophobicContact CD2-CG1 3.84Å; L34-V64 HydrophobicContact CD2-CG2 4.48Å; L34-L66 HydrophobicContact CB-CB 3.87Å; L34-L66 HydrophobicContact CD1-CD1 4.24Å; L34-F103 HydrophobicContact CD1-CB 4.33Å; L34-F103 HydrophobicContact CD1-CD1 4.39Å; L34-F103 HydrophobicContact CD1-CG 4.31Å; L34-Y258 HydrophobicContact CD1-CD2 4.19Å; L34-Y258 HydrophobicContact CD1-CE1 4.49Å; L34-Y258 HydrophobicContact CD1-CE2 3.99Å; L34-L278 HydrophobicContact CD1-CB 4.36Å; L34-L278 HydrophobicContact CD2-CD2 4.47Å; L34-L278 HydrophobicContact CG-CB 4.47Å; L34-F279 WeakPolarHBondContact CB-O 3.43Å; L34-F279 WeakPolarHBondContact CG-O 3.29Å; L34-F279 PolarHBondContact N-O 3.04Å; L34-D280 HydrophobicContact CB-CB 4.48Å; L34-D280 WeakPolarHBondContact O-CA 3.28Å; L34-S281 PolarHBondContact O-N 3.28Å; L34-S281 VanDerWaalsContact O-N 3.09Å
35L96.4Very high93.6Very high3 Ų331.1 Ų31.12%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-77.5107.8-178.5-173.563.6000109.6T37 V42 L56 V64 W65 L66 L360L35-T37 WeakPolarHBondContact O-CG2 3.46Å; L35-T37 PolarHBondContact O-N 3.29Å; L35-V42 HydrophobicContact CD1-CG2 3.94Å; L35-V42 HydrophobicContact CD2-CG2 3.5Å; L35-V42 VanDerWaalsContact CD2-CG2 3.5Å; L35-V42 HydrophobicContact CG-CG2 3.58Å; L35-L56 HydrophobicContact CD2-CD2 3.78Å; L35-V64 PolarHBondContact N-O 3.47Å; L35-W65 HydrophobicContact CD2-CD2 4.15Å; L35-W65 HydrophobicContact CD2-CZ2 4.06Å; L35-L66 PolarHBondContact O-N 3.36Å; L35-L360 HydrophobicContact CD1-CD1 4.16Å; L35-L360 HydrophobicContact CD1-CD2 3.85Å
36H96.4Very high93.5Very high2 Ų224.9 Ų24.91%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-61.5126.6179.8175.4-103.6000110.8L34 P43 D108 S281 T285L34-H36 PolarHBondContact O-N 3.42Å; H36-P43 WeakPolarHBondContact O-CD 3.34Å; H36-D108 IonicContact CD2-OD1 3.32Å; H36-D108 IonicContact CE1-OD1 3.69Å; H36-D108 IonicContact NE2-OD1 3.83Å; H36-D108 PolarHBondContact NE2-OD1 3.5Å; H36-D108 IonicContact NE2-OD2 2.8Å; H36-S281 WeakPolarHBondContact CB-OG 3.19Å; H36-S281 PolarHBondContact N-OG 3.16Å; H36-T285 PolarHBondContact ND1-OG1 3.11Å
37T94.2Very high93.3Very high1 Ų126 Ų261%0.00614%0.135CC..  trans-134.1149.5-179.264.90000110.8L35 H41 V42 W65 L66 N67L35-T37 WeakPolarHBondContact O-CG2 3.46Å; L35-T37 PolarHBondContact O-N 3.29Å; T37-H41 CarbonylContact C-O 3.53Å; T37-H41 WeakPolarHBondContact CA-O 3.33Å; T37-H41 VanDerWaalsContact CB-O 3.29Å; T37-H41 WeakPolarHBondContact CB-O 3.35Å; T37-V42 HydrophobicContact CG2-CG2 4.06Å; T37-W65 HydrophobicContact CG2-CB 4.29Å; T37-W65 HydrophobicContact CG2-CD2 4.04Å; T37-W65 HydrophobicContact CG2-CE3 3.38Å; T37-W65 HydrophobicContact CG2-CG 4.44Å; T37-W65 HydrophobicContact CG2-CZ3 4.03Å; T37-L66 PolarHBondContact N-O 3.2Å; T37-L66 PolarHBondContact OG1-O 3.28Å; T37-N67 VanDerWaalsContact OG1-CG 3.25Å; T37-N67 PolarHBondContact OG1-ND2 3.33Å; T37-N67 PolarHBondContact OG1-OD1 2.89Å
38I88.4Confident93.1Very high58 Ų5826.2 Ų26.230%0.29714%0.137SC..BIsolated β-bridgetrans-110.1116.4169.2-60.2172.5000106.3G40 H41 P43I38-G40 VanDerWaalsContact C-N 3.33Å; I38-G40 PolarHBondContact O-N 3.16Å; I38-H41 PolarHBondContact N-O 2.79Å; I38-H41 PolarHBondContact O-N 3.21Å; I38-P43 HydrophobicContact CD1-CB 4.48Å; I38-P43 HydrophobicContact CD1-CG 3.94Å; I38-P43 HydrophobicContact CG1-CG 4.13Å
39A84.5Confident93Very high30 Ų3028 Ų2825%0.24815%0.148CC..THydrogen-bonded Turntrans49.251.2-177.100000112.8H41 L72 L94A39-H41 VanDerWaalsContact C-N 3.27Å; A39-H41 PolarHBondContact O-CD2 2.9Å; A39-H41 PolarHBondContact O-N 2.83Å; A39-L72 HydrophobicContact CB-CD2 4.24Å; A39-L94 HydrophobicContact CB-CD2 4.4Å; A39-L94 WeakPolarHBondContact O-CD2 3.46Å
40G88.8Confident92.9Very high0 Ų026 Ų260%014%0.138CC..THydrogen-bonded Turntrans78.53.3174.200000115.6I38 H47 W65 N67 L96I38-G40 VanDerWaalsContact C-N 3.33Å; I38-G40 PolarHBondContact O-N 3.16Å; G40-H47 PolarHBondContact O-NE2 3.27Å; G40-W65 VanDerWaalsContact O-CZ3 3.23Å; G40-W65 WeakPolarHBondContact O-CZ3 3.49Å; G40-N67 WeakPolarHBondContact CA-OD1 3.24Å; G40-N67 PolarHBondContact N-OD1 3.29Å; G40-L96 VanDerWaalsContact O-CD2 3.28Å; G40-L96 WeakPolarHBondContact O-CD2 3.47Å
41H91.7Very high92.7Very high77 Ų7734.4 Ų34.436%0.35617%0.17SC..BIsolated β-bridgetrans-124.8136.7178.7-55.2-76.3000110.8T37 I38 A39 H47T37-H41 CarbonylContact C-O 3.53Å; T37-H41 WeakPolarHBondContact CA-O 3.33Å; T37-H41 VanDerWaalsContact CB-O 3.29Å; T37-H41 WeakPolarHBondContact CB-O 3.35Å; I38-H41 PolarHBondContact N-O 2.79Å; I38-H41 PolarHBondContact O-N 3.21Å; A39-H41 VanDerWaalsContact C-N 3.27Å; A39-H41 PolarHBondContact O-CD2 2.9Å; A39-H41 PolarHBondContact O-N 2.83Å; H41-H47 AromaticContact CE1-CE1 3.67Å; H41-H47 AromaticContact CE1-NE2 3.59Å; H41-H47 AromaticContact ND1-CD2 3.7Å; H41-H47 AromaticContact ND1-CE1 3.76Å; H41-H47 AromaticContact ND1-NE2 3.21Å; H41-H47 PolarHBondContact ND1-NE2 3.05Å
42V93.7Very high92.5Very high1 Ų140 Ų401%0.00620%0.199CC..  trans-58.7133167.1172.10000107.6L35 T37 H44 L45 L50 T356 L360L35-V42 HydrophobicContact CD1-CG2 3.94Å; L35-V42 HydrophobicContact CD2-CG2 3.5Å; L35-V42 VanDerWaalsContact CD2-CG2 3.5Å; L35-V42 HydrophobicContact CG-CG2 3.58Å; T37-V42 HydrophobicContact CG2-CG2 4.06Å; V42-H44 PolarHBondContact O-N 3.46Å; V42-H44 VanDerWaalsContact O-N 3.08Å; V42-L45 HydrophobicContact CB-CB 4.14Å; V42-L45 HydrophobicContact CG1-CB 4.09Å; V42-L45 HydrophobicContact CG1-CD1 3.91Å; V42-L45 HydrophobicContact CG1-CG 4.1Å; V42-L45 PolarHBondContact O-N 2.75Å; V42-L50 HydrophobicContact CB-CD1 4.17Å; V42-L50 HydrophobicContact CB-CD2 4.38Å; V42-L50 HydrophobicContact CG2-CD1 3.71Å; V42-L50 HydrophobicContact CG2-CD2 4.15Å; V42-T356 HydrophobicContact CG1-CG2 4.18Å; V42-L360 HydrophobicContact CG1-CD1 3.53Å
43P92.6Very high92.3Very high15 Ų1541 Ų4110%0.09721%0.205CC..THydrogen-bonded Turntrans-46.8121.8-179.7-30.736.1000111.8H36 I38 L45 T285H36-P43 WeakPolarHBondContact O-CD 3.34Å; I38-P43 HydrophobicContact CD1-CB 4.48Å; I38-P43 HydrophobicContact CD1-CG 3.94Å; I38-P43 HydrophobicContact CG1-CG 4.13Å; P43-L45 PolarHBondContact O-N 2.83Å; P43-L45 VanDerWaalsContact O-N 3.16Å; P43-T285 HydrophobicContact CB-CG2 4.33Å; P43-T285 HydrophobicContact CG-CG2 3.9Å
44H90.9Very high91.9Very high80 Ų8044.7 Ų44.737%0.3722%0.222SC..THydrogen-bonded Turntrans67-0.6179.9-46.4-72.8000117.2V42 M353V42-H44 PolarHBondContact O-N 3.46Å; V42-H44 VanDerWaalsContact O-N 3.08Å; H44-M353 HydrophobicContact CB-CG 3.75Å
45L94.7Very high91.6Very high3 Ų344.9 Ų44.92%0.01622%0.223CC..  trans-115.2121.8-180-53.6-175.7000111V42 P43 V49 L50 L55 M353 T356 V357 L360V42-L45 HydrophobicContact CB-CB 4.14Å; V42-L45 HydrophobicContact CG1-CB 4.09Å; V42-L45 HydrophobicContact CG1-CD1 3.91Å; V42-L45 HydrophobicContact CG1-CG 4.1Å; V42-L45 PolarHBondContact O-N 2.75Å; P43-L45 PolarHBondContact O-N 2.83Å; P43-L45 VanDerWaalsContact O-N 3.16Å; L45-V49 HydrophobicContact CB-CG1 4.46Å; L45-V49 HydrophobicContact CD2-CG1 3.91Å; L45-L50 HydrophobicContact CB-CD2 4.18Å; L45-L50 HydrophobicContact CB-CG 4.23Å; L45-L50 HydrophobicContact CD1-CD2 3.82Å; L45-L55 HydrophobicContact CD1-CD1 4.33Å; L45-M353 HydrophobicContact CD2-CB 4.14Å; L45-M353 HydrophobicContact CD2-CE 4.42Å; L45-M353 HydrophobicContact CD2-CG 4.43Å; L45-T356 HydrophobicContact CD1-CG2 3.88Å; L45-T356 HydrophobicContact CG-CG2 4.17Å; L45-V357 HydrophobicContact CD1-CG2 3.77Å; L45-V357 HydrophobicContact CD2-CG2 3.87Å; L45-L360 HydrophobicContact CD1-CD1 4.13Å
46S92.6Very high91.3Very high54 Ų5447.2 Ų47.238%0.37824%0.236SC..  trans-69.4161.9169.974.40000110.7E48 V49 L50S46-E48 PolarHBondContact O-N 2.87Å; S46-E48 PolarHBondContact OG-N 2.89Å; S46-V49 PolarHBondContact O-N 3.34Å; S46-V49 VanDerWaalsContact O-N 3.16Å; S46-V49 WeakPolarHBondContact OG-CG2 3.08Å; S46-V49 PolarHBondContact OG-N 3.29Å; S46-V49 VanDerWaalsContact OG-N 3.13Å; S46-L50 PolarHBondContact O-N 2.83Å; S46-L50 VanDerWaalsContact O-N 3.07Å
47H91.1Very high90.9Very high37 Ų3754 Ų5417%0.17127%0.265CS..Hα-helixtrans-59.9-31.7174.3-57.5160.7000112G40 H41 R51 W65 G95G40-H47 PolarHBondContact O-NE2 3.27Å; H41-H47 AromaticContact CE1-CE1 3.67Å; H41-H47 AromaticContact CE1-NE2 3.59Å; H41-H47 AromaticContact ND1-CD2 3.7Å; H41-H47 AromaticContact ND1-CE1 3.76Å; H41-H47 AromaticContact ND1-NE2 3.21Å; H41-H47 PolarHBondContact ND1-NE2 3.05Å; H47-R51 PolarHBondContact O-N 2.82Å; H47-R51 VanDerWaalsContact O-N 3.15Å; H47-W65 AromaticContact CD2-CH2 3.48Å; H47-W65 VanDerWaalsContact CD2-CH2 3.48Å; H47-W65 WeakPolarHBondContact CD2-CH2 3.36Å; H47-W65 AromaticContact CD2-CZ3 3.62Å; H47-W65 AromaticContact NE2-CH2 3.88Å; H47-W65 AromaticContact NE2-CZ3 3.57Å; H47-G95 PolarHBondContact CE1-O 3Å; H47-G95 PolarHBondContact ND1-O 3.26Å
48E92.2Very high90.7Very high132 Ų13255.9 Ų55.962%0.61728%0.275SS*.Hα-helixtrans-67.4-44.9175.1-174.5175.3-168.700111.7S46 L50 R51 L52S46-E48 PolarHBondContact O-N 2.87Å; S46-E48 PolarHBondContact OG-N 2.89Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 3.41Å; E48-R51 WeakPolarHBondContact O-CA 3.36Å; E48-R51 WeakPolarHBondContact O-CB 3.44Å; E48-R51 PolarHBondContact O-N 3.47Å; E48-R51 VanDerWaalsContact O-N 3.07Å; E48-L52 HydrophobicContact CG-CD1 3.9Å; E48-L52 HydrophobicContact CG-CG 4.26Å; E48-L52 WeakPolarHBondContact O-CG 3.39Å; E48-L52 PolarHBondContact O-N 3.27Å
49V92.8Very high90.7Very high38 Ų3853.5 Ų53.523%0.2326%0.263CS..Hα-helixtrans-62.1-40.7176.7173.10000111.1L45 S46 R51 L52 T53L45-V49 HydrophobicContact CB-CG1 4.46Å; L45-V49 HydrophobicContact CD2-CG1 3.91Å; S46-V49 PolarHBondContact O-N 3.34Å; S46-V49 VanDerWaalsContact O-N 3.16Å; S46-V49 WeakPolarHBondContact OG-CG2 3.08Å; S46-V49 PolarHBondContact OG-N 3.29Å; S46-V49 VanDerWaalsContact OG-N 3.13Å; V49-R51 PolarHBondContact O-N 2.85Å; V49-L52 PolarHBondContact O-N 2.94Å; V49-T53 HydrophobicContact CG1-CG2 4.09Å; V49-T53 WeakPolarHBondContact O-CB 3.44Å; V49-T53 VanDerWaalsContact O-CG2 3.3Å; V49-T53 WeakPolarHBondContact O-CG2 3.31Å; V49-T53 PolarHBondContact O-N 3.34Å; V49-T53 PolarHBondContact O-OG1 3.4Å
50L92.4Very high90.9Very high3 Ų360 Ų602%0.01629%0.286CS..Hα-helixtrans-60.5-35.4174.9-68.9171.7000112.4V42 L45 S46 E48 T53 L55 W65V42-L50 HydrophobicContact CB-CD1 4.17Å; V42-L50 HydrophobicContact CB-CD2 4.38Å; V42-L50 HydrophobicContact CG2-CD1 3.71Å; V42-L50 HydrophobicContact CG2-CD2 4.15Å; L45-L50 HydrophobicContact CB-CD2 4.18Å; L45-L50 HydrophobicContact CB-CG 4.23Å; L45-L50 HydrophobicContact CD1-CD2 3.82Å; S46-L50 PolarHBondContact O-N 2.83Å; S46-L50 VanDerWaalsContact O-N 3.07Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 3.41Å; L50-T53 PolarHBondContact O-OG1 3.38Å; L50-L55 HydrophobicContact CD2-CD1 3.91Å; L50-W65 HydrophobicContact CD1-CH2 3.42Å; L50-W65 VanDerWaalsContact CD1-CH2 3.42Å; L50-W65 HydrophobicContact CD1-CZ2 3.87Å; L50-W65 HydrophobicContact CD1-CZ3 4.29Å
51R89.4Confident91Very high176 Ų17661.7 Ų61.766%0.66429%0.294SS*.Hα-helixtrans-71.6-48.7175.2-172.4-174.8-64.1171.7-0.5111.5H47 E48 V49 T53 E54H47-R51 PolarHBondContact O-N 2.82Å; H47-R51 VanDerWaalsContact O-N 3.15Å; E48-R51 WeakPolarHBondContact O-CA 3.36Å; E48-R51 WeakPolarHBondContact O-CB 3.44Å; E48-R51 PolarHBondContact O-N 3.47Å; E48-R51 VanDerWaalsContact O-N 3.07Å; V49-R51 PolarHBondContact O-N 2.85Å; R51-T53 VanDerWaalsContact C-N 3.3Å; R51-T53 PolarHBondContact O-N 3.02Å; R51-E54 PolarHBondContact O-N 3.24Å
52L91.9Very high90.9Very high120 Ų12062.2 Ų62.263%0.62830%0.297SS*.Hα-helixtrans-65.4-32.8-177.5-70.2173.3000113E48 V49 E54E48-L52 HydrophobicContact CG-CD1 3.9Å; E48-L52 HydrophobicContact CG-CG 4.26Å; E48-L52 WeakPolarHBondContact O-CG 3.39Å; E48-L52 PolarHBondContact O-N 3.27Å; V49-L52 PolarHBondContact O-N 2.94Å; L52-E54 PolarHBondContact O-N 3.03Å
53T89.6Confident90.8Very high22 Ų2263 Ų6314%0.13530%0.302CS..THydrogen-bonded Turntrans-80.8-5.8175.754.70000113.1V49 L50 R51 L55 Y330 V357V49-T53 HydrophobicContact CG1-CG2 4.09Å; V49-T53 WeakPolarHBondContact O-CB 3.44Å; V49-T53 VanDerWaalsContact O-CG2 3.3Å; V49-T53 WeakPolarHBondContact O-CG2 3.31Å; V49-T53 PolarHBondContact O-N 3.34Å; V49-T53 PolarHBondContact O-OG1 3.4Å; L50-T53 PolarHBondContact O-OG1 3.38Å; R51-T53 VanDerWaalsContact C-N 3.3Å; R51-T53 PolarHBondContact O-N 3.02Å; T53-L55 PolarHBondContact O-N 3.08Å; T53-L55 WeakPolarHBondContact OG1-CD1 3.37Å; T53-L55 WeakPolarHBondContact OG1-CG 3.27Å; T53-Y330 HydrophobicContact CG2-CD1 4.12Å; T53-Y330 HydrophobicContact CG2-CG 3.99Å; T53-V357 HydrophobicContact CG2-CG1 4.02Å; T53-V357 HydrophobicContact CG2-CG2 4.06Å
54E88Confident90.9Very high86 Ų8662.3 Ų62.340%0.40230%0.297SS..THydrogen-bonded Turntrans55.219.3-178.8-60.1-67.8-169.100114.3R51 L52 L56 K57R51-E54 PolarHBondContact O-N 3.24Å; L52-E54 PolarHBondContact O-N 3.03Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.85Å; E54-K57 WeakPolarHBondContact O-CB 3.17Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-K57 VanDerWaalsContact O-N 3.08Å; E54-K57 IonicContact OE1-NZ 3.67Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 WeakPolarHBondContact OE2-CD 3.36Å; E54-K57 WeakPolarHBondContact OE2-CE 3.3Å; E54-K57 WeakPolarHBondContact OE2-CG 3.45Å; E54-K57 IonicContact OE2-NZ 3.92Å; E54-K57 PolarHBondContact OE2-NZ 3.05Å
55L90.8Very high91.2Very high5 Ų558.7 Ų58.73%0.02628%0.28CS..Hα-helixtrans-54.1-46.9-175.8-84.6168.9000111.5L45 L50 T53 K57 L58 V357 L360 H361 L364L45-L55 HydrophobicContact CD1-CD1 4.33Å; L50-L55 HydrophobicContact CD2-CD1 3.91Å; T53-L55 PolarHBondContact O-N 3.08Å; T53-L55 WeakPolarHBondContact OG1-CD1 3.37Å; T53-L55 WeakPolarHBondContact OG1-CG 3.27Å; L55-K57 VanDerWaalsContact C-N 3.25Å; L55-K57 PolarHBondContact O-N 3.27Å; L55-L58 WeakPolarHBondContact O-CB 3.46Å; L55-L58 PolarHBondContact O-N 2.99Å; L55-L58 VanDerWaalsContact O-N 3.1Å; L55-V357 HydrophobicContact CD1-CB 4.34Å; L55-V357 HydrophobicContact CD1-CG1 4.11Å; L55-V357 HydrophobicContact CD1-CG2 4.19Å; L55-V357 HydrophobicContact CD2-CG1 4.41Å; L55-V357 WeakPolarHBondContact CD2-O 3.4Å; L55-V357 HydrophobicContact CG-CG1 4.41Å; L55-L360 HydrophobicContact CD2-CB 4.37Å; L55-H361 HydrophobicContact CD2-CB 3.73Å; L55-L364 HydrophobicContact CB-CD1 4.29Å; L55-L364 HydrophobicContact CD2-CD1 4.44Å; L55-L364 VanDerWaalsContact O-CD1 3.29Å; L55-L364 WeakPolarHBondContact O-CD1 3.27Å
56L89.9Confident91.2Very high52 Ų5258.6 Ų58.627%0.27228%0.28SS..Hα-helixtrans-68-25-174.9-54.5-177.6000112.7L35 E54 L58 A59 T63 W65L35-L56 HydrophobicContact CD2-CD2 3.78Å; E54-L56 VanDerWaalsContact C-N 3.29Å; E54-L56 PolarHBondContact O-N 2.85Å; L56-L58 PolarHBondContact O-N 3.06Å; L56-A59 WeakPolarHBondContact O-CB 3.39Å; L56-A59 PolarHBondContact O-N 2.77Å; L56-T63 HydrophobicContact CD2-CG2 3.99Å; L56-W65 HydrophobicContact CD1-CZ2 4.14Å
57K89.4Confident91.2Very high144 Ų14456.1 Ų56.163%0.62626%0.262SS*.Hα-helixtrans-66.8-30.1174.9-68.3-170.6-177.61500111.8E54 L55 A59 K60E54-K57 WeakPolarHBondContact O-CB 3.17Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-K57 VanDerWaalsContact O-N 3.08Å; E54-K57 IonicContact OE1-NZ 3.67Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 WeakPolarHBondContact OE2-CD 3.36Å; E54-K57 WeakPolarHBondContact OE2-CE 3.3Å; E54-K57 WeakPolarHBondContact OE2-CG 3.45Å; E54-K57 IonicContact OE2-NZ 3.92Å; E54-K57 PolarHBondContact OE2-NZ 3.05Å; L55-K57 VanDerWaalsContact C-N 3.25Å; L55-K57 PolarHBondContact O-N 3.27Å; K57-A59 PolarHBondContact O-N 2.66Å; K57-K60 PolarHBondContact O-N 2.95Å
58L90.4Very high91.2Very high41 Ų4154.5 Ų54.522%0.21526%0.255CS..Hα-helixtrans-62.1-27178-169.363000112.7L55 L56 K60 H361 L364 N365 V368L55-L58 WeakPolarHBondContact O-CB 3.46Å; L55-L58 PolarHBondContact O-N 2.99Å; L55-L58 VanDerWaalsContact O-N 3.1Å; L56-L58 PolarHBondContact O-N 3.06Å; L58-K60 PolarHBondContact O-N 3.35Å; L58-K60 VanDerWaalsContact O-N 3.1Å; L58-H361 HydrophobicContact CD2-CB 4.3Å; L58-H361 WeakPolarHBondContact CD2-ND1 3.37Å; L58-H361 VanDerWaalsContact CD2-O 3.31Å; L58-H361 WeakPolarHBondContact CD2-O 3.43Å; L58-L364 HydrophobicContact CB-CB 4.42Å; L58-L364 HydrophobicContact CD2-CB 4.11Å; L58-L364 HydrophobicContact CG-CB 4.37Å; L58-N365 HydrophobicContact CD2-CB 4.06Å; L58-N365 HydrophobicContact CG-CB 4.49Å; L58-V368 VanDerWaalsContact O-CG2 3.22Å; L58-V368 WeakPolarHBondContact O-CG2 3.15Å
59A87.5Confident90.9Very high7 Ų748.2 Ų48.26%0.05823%0.226CC..THydrogen-bonded Turntrans-60.6-22.117900000113.1L56 K57 Q61 T63 L364 R371L56-A59 WeakPolarHBondContact O-CB 3.39Å; L56-A59 PolarHBondContact O-N 2.77Å; K57-A59 PolarHBondContact O-N 2.66Å; A59-Q61 PolarHBondContact O-N 3.44Å; A59-Q61 VanDerWaalsContact O-N 3.11Å; A59-T63 HydrophobicContact CB-CG2 3.81Å; A59-L364 HydrophobicContact CB-CD2 4.04Å; A59-R371 PolarHBondContact O-NH2 3.09Å
60K88.7Confident90.3Very high167 Ų16746.5 Ų46.573%0.72622%0.216SC*.SBendtrans54.819.5-171.8-60.1-175-179178.10114.1K57 L58 V368K57-K60 PolarHBondContact O-N 2.95Å; L58-K60 PolarHBondContact O-N 3.35Å; L58-K60 VanDerWaalsContact O-N 3.1Å; K60-V368 HydrophobicContact CB-CG2 4.41Å; K60-V368 HydrophobicContact CD-CG1 3.86Å; K60-V368 HydrophobicContact CD-CG2 4.28Å; K60-V368 HydrophobicContact CG-CG2 4.19Å
61Q90.1Very high89.4Confident35 Ų3547.3 Ų47.316%0.16423%0.225CC..SBendtrans-161.2169175.163.9-1752.700109.3Q29 A59Q29-Q61 PolarHBondContact O-NE2 3.35Å; A59-Q61 PolarHBondContact O-N 3.44Å; A59-Q61 VanDerWaalsContact O-N 3.11Å
62Q90.4Very high88.7Confident88 Ų8839 Ų3941%0.41119%0.194SC..PPolyproline II helixtrans-61.9142.4171-72176.4-9.400110.8L28 L101L28-Q62 HydrophobicContact CD2-CB 3.85Å; L28-Q62 VanDerWaalsContact CD2-O 3.24Å; L28-Q62 WeakPolarHBondContact CD2-O 3.48Å; Q62-L101 HydrophobicContact CB-CD1 4.36Å
63T91.5Very high87.6Confident18 Ų1834.5 Ų34.511%0.1117%0.169CC..PPolyproline II helixtrans-96137178.355.80000111.3L56 A59 W65 L364L56-T63 HydrophobicContact CD2-CG2 3.99Å; A59-T63 HydrophobicContact CB-CG2 3.81Å; T63-W65 PolarHBondContact OG1-NE1 3.02Å; T63-L364 HydrophobicContact CG2-CD2 4.47Å
64V95.3Very high86Confident0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-92.9128.2169.2-177.80000109.1W21 L28 M32 L34 L35 L101 F103W21-V64 HydrophobicContact CD2-CG2 4.49Å; W21-V64 HydrophobicContact CH2-CG1 4.09Å; W21-V64 HydrophobicContact CH2-CG2 4.45Å; W21-V64 HydrophobicContact CZ2-CG1 3.58Å; W21-V64 HydrophobicContact CZ2-CG2 4.36Å; L28-V64 HydrophobicContact CD1-CG2 3.99Å; M32-V64 HydrophobicContact CE-CB 4.22Å; M32-V64 HydrophobicContact CE-CG2 3.57Å; M32-V64 HydrophobicContact SD-CG2 4.11Å; L34-V64 CarbonylContact C-O 3.42Å; L34-V64 VanDerWaalsContact CA-O 3.3Å; L34-V64 WeakPolarHBondContact CA-O 3.49Å; L34-V64 HydrophobicContact CD2-CB 3.69Å; L34-V64 HydrophobicContact CD2-CG1 3.84Å; L34-V64 HydrophobicContact CD2-CG2 4.48Å; L35-V64 PolarHBondContact N-O 3.47Å; V64-L101 CarbonylContact C-O 3.01Å; V64-L101 WeakPolarHBondContact CA-O 3.37Å; V64-L101 HydrophobicContact CB-CB 4.31Å; V64-L101 HydrophobicContact CG1-CB 4.38Å; V64-L101 HydrophobicContact CG2-CB 3.83Å; V64-L101 HydrophobicContact CG2-CD1 4.03Å; V64-F103 HydrophobicContact CG1-CB 3.88Å
65W95.7Very high84.3Confident5 Ų532.8 Ų32.82%0.01917%0.169CC..EExtended strand (participates in β ladder)trans-93.9120.7-176.5-70.841.9000109.3L35 T37 G40 H47 L50 L56 T63 L96 T100 L101 V102 F103L35-W65 HydrophobicContact CD2-CD2 4.15Å; L35-W65 HydrophobicContact CD2-CZ2 4.06Å; T37-W65 HydrophobicContact CG2-CB 4.29Å; T37-W65 HydrophobicContact CG2-CD2 4.04Å; T37-W65 HydrophobicContact CG2-CE3 3.38Å; T37-W65 HydrophobicContact CG2-CG 4.44Å; T37-W65 HydrophobicContact CG2-CZ3 4.03Å; G40-W65 VanDerWaalsContact O-CZ3 3.23Å; G40-W65 WeakPolarHBondContact O-CZ3 3.49Å; H47-W65 AromaticContact CD2-CH2 3.48Å; H47-W65 VanDerWaalsContact CD2-CH2 3.48Å; H47-W65 WeakPolarHBondContact CD2-CH2 3.36Å; H47-W65 AromaticContact CD2-CZ3 3.62Å; H47-W65 AromaticContact NE2-CH2 3.88Å; H47-W65 AromaticContact NE2-CZ3 3.57Å; L50-W65 HydrophobicContact CD1-CH2 3.42Å; L50-W65 VanDerWaalsContact CD1-CH2 3.42Å; L50-W65 HydrophobicContact CD1-CZ2 3.87Å; L50-W65 HydrophobicContact CD1-CZ3 4.29Å; L56-W65 HydrophobicContact CD1-CZ2 4.14Å; T63-W65 PolarHBondContact OG1-NE1 3.02Å; W65-L96 HydrophobicContact CE3-CD2 3.94Å; W65-L96 HydrophobicContact CZ3-CD2 4.18Å; W65-T100 HydrophobicContact CB-CG2 4.03Å; W65-T100 VanDerWaalsContact CD1-CG2 3.5Å; W65-T100 HydrophobicContact CD2-CG2 3.76Å; W65-T100 HydrophobicContact CG-CG2 3.49Å; W65-T100 VanDerWaalsContact CG-CG2 3.49Å; W65-L101 PolarHBondContact N-O 3.06Å; W65-V102 WeakPolarHBondContact O-CA 3.33Å; W65-V102 WeakPolarHBondContact O-CG1 3.4Å; W65-F103 PolarHBondContact O-N 3.47Å
66L96Very high82Confident1 Ų144.4 Ų44.41%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-85.4113177.8178.566000109.5L34 L35 T37 F103 P109 Y258 D280L34-L66 HydrophobicContact CB-CB 3.87Å; L34-L66 HydrophobicContact CD1-CD1 4.24Å; L35-L66 PolarHBondContact O-N 3.36Å; T37-L66 PolarHBondContact N-O 3.2Å; T37-L66 PolarHBondContact OG1-O 3.28Å; L66-F103 WeakPolarHBondContact CA-O 3.47Å; L66-F103 HydrophobicContact CD1-CB 4.39Å; L66-F103 HydrophobicContact CD1-CD1 3.59Å; L66-F103 HydrophobicContact CD1-CE1 4.39Å; L66-F103 HydrophobicContact CD1-CG 4.43Å; L66-P109 HydrophobicContact CD2-CG 3.82Å; L66-Y258 HydrophobicContact CD1-CE1 4.45Å; L66-Y258 WeakPolarHBondContact CD2-OH 3.27Å; L66-D280 HydrophobicContact CD2-CB 3.44Å; L66-D280 VanDerWaalsContact CD2-CB 3.44Å
67N92Very high80.1Confident1 Ų147.4 Ų47.41%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-103.6151.3167.4-78.6-88.9000109.8T37 G40 L72 F103 L104 S105T37-N67 VanDerWaalsContact OG1-CG 3.25Å; T37-N67 PolarHBondContact OG1-ND2 3.33Å; T37-N67 PolarHBondContact OG1-OD1 2.89Å; G40-N67 WeakPolarHBondContact CA-OD1 3.24Å; G40-N67 PolarHBondContact N-OD1 3.29Å; N67-L72 HydrophobicContact CB-CD1 4.23Å; N67-F103 PolarHBondContact N-O 3.3Å; N67-L104 HydrophobicContact CB-CD1 4.08Å; N67-L104 CarbonylContact O-C 3.52Å; N67-L104 VanDerWaalsContact O-CA 3.3Å; N67-L104 WeakPolarHBondContact O-CA 3.4Å; N67-S105 PolarHBondContact O-N 2.68Å; N67-S105 PolarHBondContact O-OG 2.69Å
68A90.6Very high78.8Confident3 Ų341.1 Ų41.13%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-109.5144.5171.600000111.2G70 G71 L72 S105 D108A68-G70 PolarHBondContact O-N 3.43Å; A68-G71 PolarHBondContact O-N 2.86Å; A68-L72 PolarHBondContact O-N 3.17Å; A68-S105 WeakPolarHBondContact CA-O 3.4Å; A68-D108 HydrophobicContact CB-CB 3.53Å
69V87.7Confident77.6Confident0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-52-44.4174.2171.10000110.8G71 L72 Y73 L104 S105 F106 V125 V134 Y139V69-G71 VanDerWaalsContact C-N 3.32Å; V69-G71 PolarHBondContact O-N 3.28Å; V69-L72 PolarHBondContact O-N 3.17Å; V69-L72 VanDerWaalsContact O-N 3.1Å; V69-Y73 HydrophobicContact CB-CD2 4.44Å; V69-Y73 HydrophobicContact CB-CE2 4.49Å; V69-Y73 HydrophobicContact CG1-CD2 3.44Å; V69-Y73 VanDerWaalsContact CG1-CD2 3.44Å; V69-Y73 HydrophobicContact CG1-CE2 3.41Å; V69-Y73 VanDerWaalsContact CG1-CE2 3.41Å; V69-Y73 HydrophobicContact CG1-CG 4.19Å; V69-Y73 WeakPolarHBondContact O-CD2 3.46Å; V69-Y73 PolarHBondContact O-N 3.24Å; V69-L104 HydrophobicContact CG2-CD1 4.17Å; V69-L104 HydrophobicContact CG2-CD2 3.78Å; V69-L104 HydrophobicContact CG2-CG 3.94Å; V69-S105 WeakPolarHBondContact CG2-O 3.47Å; V69-S105 PolarHBondContact N-O 2.91Å; V69-F106 HydrophobicContact CB-CD2 4.24Å; V69-F106 WeakPolarHBondContact CB-O 3.49Å; V69-F106 HydrophobicContact CG1-CD2 4.35Å; V69-F106 HydrophobicContact CG1-CE2 4.27Å; V69-F106 HydrophobicContact CG2-CD2 4.08Å; V69-V125 HydrophobicContact CB-CG1 4.36Å; V69-V125 HydrophobicContact CG1-CG1 4.13Å; V69-V134 HydrophobicContact CG1-CG1 4.46Å; V69-V134 HydrophobicContact CG1-CG2 3.93Å; V69-Y139 HydrophobicContact CG2-CD2 4.48Å; V69-Y139 HydrophobicContact CG2-CE2 3.62Å
70G79.5Confident76.7Confident3 Ų340.3 Ų40.33%0.03120%0.199CC..Hα-helixtrans-54.7-43.517700000113.8A68 L72 Y73 G74 T127A68-G70 PolarHBondContact O-N 3.43Å; G70-L72 VanDerWaalsContact C-N 3.26Å; G70-L72 PolarHBondContact O-N 3.16Å; G70-Y73 PolarHBondContact O-N 3.26Å; G70-G74 PolarHBondContact O-N 3.13Å; G70-T127 WeakPolarHBondContact O-CG2 3.37Å
71G73.3Confident76Confident20 Ų2034.3 Ų34.321%0.20618%0.178CC..Hα-helixtrans-64.7-29179.500000113.6A68 V69A68-G71 PolarHBondContact O-N 2.86Å; V69-G71 VanDerWaalsContact C-N 3.32Å; V69-G71 PolarHBondContact O-N 3.28Å
72L74.5Confident75.4Confident1 Ų133.6 Ų33.61%0.00518%0.178CC..Hα-helixtrans-93.5-27.3-178.3-60.9176.2000113A39 N67 A68 V69 G70 A79 I90 L94 L104 F142A39-L72 HydrophobicContact CB-CD2 4.24Å; N67-L72 HydrophobicContact CB-CD1 4.23Å; A68-L72 PolarHBondContact O-N 3.17Å; V69-L72 PolarHBondContact O-N 3.17Å; V69-L72 VanDerWaalsContact O-N 3.1Å; G70-L72 VanDerWaalsContact C-N 3.26Å; G70-L72 PolarHBondContact O-N 3.16Å; L72-A79 HydrophobicContact CB-CB 4.41Å; L72-A79 WeakPolarHBondContact O-CB 3.33Å; L72-A79 PolarHBondContact O-N 3.41Å; L72-I90 HydrophobicContact CD1-CG2 4.28Å; L72-L94 HydrophobicContact CD2-CD1 3.72Å; L72-L94 HydrophobicContact CD2-CD2 3.65Å; L72-L94 HydrophobicContact CD2-CG 4.22Å; L72-L104 HydrophobicContact CD1-CD1 3.82Å; L72-F142 HydrophobicContact CB-CE2 3.91Å; L72-F142 HydrophobicContact CB-CZ 4.45Å; L72-F142 HydrophobicContact CD1-CE2 3.68Å; L72-F142 HydrophobicContact CD1-CZ 3.37Å; L72-F142 HydrophobicContact CG-CE2 4.44Å
73Y70Confident74.9Confident25 Ų2529.5 Ų29.510%0.09816%0.159CC..Hα-helixtrans-82.8-25.4175.7-80.5-116.5000112.6V69 G70 L80 M132 V134 S138 Y139 F142V69-Y73 HydrophobicContact CB-CD2 4.44Å; V69-Y73 HydrophobicContact CB-CE2 4.49Å; V69-Y73 HydrophobicContact CG1-CD2 3.44Å; V69-Y73 VanDerWaalsContact CG1-CD2 3.44Å; V69-Y73 HydrophobicContact CG1-CE2 3.41Å; V69-Y73 VanDerWaalsContact CG1-CE2 3.41Å; V69-Y73 HydrophobicContact CG1-CG 4.19Å; V69-Y73 WeakPolarHBondContact O-CD2 3.46Å; V69-Y73 PolarHBondContact O-N 3.24Å; G70-Y73 PolarHBondContact O-N 3.26Å; Y73-L80 HydrophobicContact CD1-CD1 3.43Å; Y73-L80 VanDerWaalsContact CD1-CD1 3.43Å; Y73-L80 HydrophobicContact CD2-CD1 3.36Å; Y73-L80 HydrophobicContact CE1-CD1 3.2Å; Y73-L80 HydrophobicContact CE2-CD1 3.12Å; Y73-L80 HydrophobicContact CE2-CG 4.43Å; Y73-L80 HydrophobicContact CG-CD1 3.53Å; Y73-M132 VanDerWaalsContact C-CE 3.48Å; Y73-M132 VanDerWaalsContact O-SD 3.37Å; Y73-V134 HydrophobicContact CD1-CG2 4.26Å; Y73-V134 HydrophobicContact CE1-CG1 4.15Å; Y73-V134 HydrophobicContact CE1-CG2 4.17Å; Y73-S138 PolarHBondContact OH-O 3.45Å; Y73-S138 VanDerWaalsContact OH-O 3.06Å; Y73-Y139 WeakPolarHBondContact OH-CA 3.3Å; Y73-Y139 PolarHBondContact OH-N 3.33Å; Y73-F142 HydrophobicContact CE2-CB 4.4Å; Y73-F142 AromaticContact CE2-CD2 3.81Å; Y73-F142 HydrophobicContact CE2-CD2 3.81Å; Y73-F142 HydrophobicContact CE2-CE2 4.41Å; Y73-F142 HydrophobicContact CE2-CG 4.2Å
74G55.9Low74.3Confident11 Ų1135.6 Ų35.611%0.11318%0.184CC..  trans-91.8-3.3-155.400000119.8G70 S129 M132G70-G74 PolarHBondContact O-N 3.13Å; G74-S129 PolarHBondContact O-OG 3.14Å; G74-M132 VanDerWaalsContact CA-CE 3.41Å
75S51.3Low73.9Confident61 Ų6143.4 Ų43.443%0.42722%0.22SC..SBendtrans-76.9143.5171.949.80000109.6I77 G78S75-I77 CarbonylContact O-C 3.59Å; S75-I77 PolarHBondContact O-N 3.27Å; S75-I77 PolarHBondContact OG-O 2.96Å; S75-G78 WeakPolarHBondContact O-CA 3.37Å; S75-G78 PolarHBondContact O-N 3.26Å
76R42.8Very low73.4Confident249 Ų24946 Ų4694%0.9424%0.239SC*.SBendtrans-55.6-14.5-176.7-72.5-179.9179.5179.7-0.4115
77I49.5Very low72.9Confident116 Ų11648 Ų4860%0.59526%0.261SS*.SBendtrans-117.197155.7-56.4167.6000103.2S75 A79 S81 A82S75-I77 CarbonylContact O-C 3.59Å; S75-I77 PolarHBondContact O-N 3.27Å; S75-I77 PolarHBondContact OG-O 2.96Å; I77-A79 PolarHBondContact O-N 3.48Å; I77-S81 WeakPolarHBondContact CG2-OG 3.4Å; I77-A82 HydrophobicContact CG2-CB 4.27Å
78G61.7Low72.6Confident12 Ų1252.2 Ų52.212%0.12428%0.281CS..  trans-58.7144.5-172.400000108.6S75 L80 S81 A82S75-G78 WeakPolarHBondContact O-CA 3.37Å; S75-G78 PolarHBondContact O-N 3.26Å; G78-L80 CarbonylContact O-C 3.57Å; G78-L80 PolarHBondContact O-N 3.29Å; G78-S81 PolarHBondContact N-OG 3.42Å; G78-S81 VanDerWaalsContact N-OG 3.14Å; G78-S81 PolarHBondContact O-N 3.05Å; G78-S81 PolarHBondContact O-OG 2.87Å; G78-A82 PolarHBondContact O-N 3.32Å; G78-A82 VanDerWaalsContact O-N 3.07Å
79A65.1Low72.4Confident4 Ų453.5 Ų53.53%0.03329%0.29CS..Hα-helixtrans-50.2-31.1175.300000110.3L72 I77 V83 F93L72-A79 HydrophobicContact CB-CB 4.41Å; L72-A79 WeakPolarHBondContact O-CB 3.33Å; L72-A79 PolarHBondContact O-N 3.41Å; I77-A79 PolarHBondContact O-N 3.48Å; A79-V83 WeakPolarHBondContact O-CA 3.28Å; A79-V83 WeakPolarHBondContact O-CB 3.45Å; A79-V83 WeakPolarHBondContact O-CG2 3.33Å; A79-V83 PolarHBondContact O-N 3.16Å; A79-F93 HydrophobicContact CB-CD1 3.72Å; A79-F93 HydrophobicContact CB-CE1 3.39Å; A79-F93 HydrophobicContact CB-CZ 4.2Å
80L68.6Low72.3Confident26 Ų2654 Ų5414%0.13629%0.293CS..Hα-helixtrans-60.5-46.7170.2-91.7152.1000116.8Y73 G78 A82 K84 F141 F142Y73-L80 HydrophobicContact CD1-CD1 3.43Å; Y73-L80 VanDerWaalsContact CD1-CD1 3.43Å; Y73-L80 HydrophobicContact CD2-CD1 3.36Å; Y73-L80 HydrophobicContact CE1-CD1 3.2Å; Y73-L80 HydrophobicContact CE2-CD1 3.12Å; Y73-L80 HydrophobicContact CE2-CG 4.43Å; Y73-L80 HydrophobicContact CG-CD1 3.53Å; G78-L80 CarbonylContact O-C 3.57Å; G78-L80 PolarHBondContact O-N 3.29Å; L80-A82 VanDerWaalsContact C-N 3.34Å; L80-K84 WeakPolarHBondContact O-CB 3.48Å; L80-K84 PolarHBondContact O-N 3.2Å; L80-F141 HydrophobicContact CD2-CD1 3.31Å; L80-F141 HydrophobicContact CD2-CE1 3.67Å; L80-F142 HydrophobicContact CD1-CD2 3.89Å; L80-F142 HydrophobicContact CD2-CB 4.1Å; L80-F142 HydrophobicContact CD2-CD2 4.11Å; L80-F142 HydrophobicContact CG-CD2 3.93Å
81S74.6Confident72.7Confident42 Ų4255.1 Ų55.129%0.29430%0.296SS..Hα-helixtrans-66.9-43177.1590000109.7I77 G78 V83 K84 E85I77-S81 WeakPolarHBondContact CG2-OG 3.4Å; G78-S81 PolarHBondContact N-OG 3.42Å; G78-S81 VanDerWaalsContact N-OG 3.14Å; G78-S81 PolarHBondContact O-N 3.05Å; G78-S81 PolarHBondContact O-OG 2.87Å; S81-V83 PolarHBondContact O-N 3.4Å; S81-K84 PolarHBondContact O-N 3.38Å; S81-E85 WeakPolarHBondContact O-CB 3.05Å; S81-E85 WeakPolarHBondContact O-CG 3.42Å; S81-E85 PolarHBondContact O-N 2.97Å
82A77.2Confident73.4Confident19 Ų1960.2 Ų60.216%0.15731%0.314CS..Hα-helixtrans-62.5-43.8176.200000112.4I77 G78 L80 K84 E85 S86 F93I77-A82 HydrophobicContact CG2-CB 4.27Å; G78-A82 PolarHBondContact O-N 3.32Å; G78-A82 VanDerWaalsContact O-N 3.07Å; L80-A82 VanDerWaalsContact C-N 3.34Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-E85 PolarHBondContact O-N 3.38Å; A82-S86 WeakPolarHBondContact O-CB 3.31Å; A82-S86 PolarHBondContact O-N 3.1Å; A82-S86 PolarHBondContact O-OG 3.29Å; A82-F93 HydrophobicContact CB-CD2 4.09Å; A82-F93 HydrophobicContact CB-CE2 3.43Å; A82-F93 VanDerWaalsContact CB-CE2 3.43Å; A82-F93 HydrophobicContact CB-CZ 3.92Å
83V79.4Confident74Confident2 Ų264 Ų641%0.01233%0.331CS..Hα-helixtrans-63.7-39.6174.9157.80000111.1A79 S81 G87 M88 I90 F93 F141 K145A79-V83 WeakPolarHBondContact O-CA 3.28Å; A79-V83 WeakPolarHBondContact O-CB 3.45Å; A79-V83 WeakPolarHBondContact O-CG2 3.33Å; A79-V83 PolarHBondContact O-N 3.16Å; S81-V83 PolarHBondContact O-N 3.4Å; V83-G87 WeakPolarHBondContact O-CA 3.42Å; V83-G87 PolarHBondContact O-N 3.25Å; V83-M88 WeakPolarHBondContact CG1-O 3.33Å; V83-I90 HydrophobicContact CG2-CG1 4.31Å; V83-F93 HydrophobicContact CG2-CB 3.74Å; V83-F93 HydrophobicContact CG2-CD2 4.46Å; V83-F93 HydrophobicContact CG2-CG 3.98Å; V83-F141 HydrophobicContact CG1-CE1 4.45Å; V83-K145 HydrophobicContact CG1-CB 4.23Å; V83-K145 HydrophobicContact CG1-CG 4.15Å
84K80.7Confident74.8Confident147 Ų14763.3 Ų63.364%0.63933%0.329SS*.Hα-helixtrans-66.8-41.7178.2-172.9176.8-179.9-174.40112.1L80 S81 A82 F141L80-K84 WeakPolarHBondContact O-CB 3.48Å; L80-K84 PolarHBondContact O-N 3.2Å; S81-K84 PolarHBondContact O-N 3.38Å; A82-K84 VanDerWaalsContact C-N 3.34Å; K84-F141 HydrophobicContact CB-CE1 3.97Å; K84-F141 HydrophobicContact CB-CE2 4.46Å; K84-F141 HydrophobicContact CB-CZ 3.57Å; K84-F141 HydrophobicContact CD-CE2 4.38Å; K84-F141 HydrophobicContact CD-CZ 4.18Å; K84-F141 HydrophobicContact CG-CE1 4.39Å; K84-F141 HydrophobicContact CG-CE2 4.06Å; K84-F141 HydrophobicContact CG-CZ 3.64Å
85E85.2Confident76.3Confident164 Ų16465.1 Ų65.177%0.76635%0.348SS*.Hα-helixtrans-77.2-41.2-179.5-71.8172.1-165.100112.5S81 A82S81-E85 WeakPolarHBondContact O-CB 3.05Å; S81-E85 WeakPolarHBondContact O-CG 3.42Å; S81-E85 PolarHBondContact O-N 2.97Å; A82-E85 PolarHBondContact O-N 3.38Å
86S85.7Confident78.1Confident59 Ų5962.7 Ų62.741%0.41333%0.33SS..Hα-helixtrans-78.5-19.9179.964.30000113.9A82 M88A82-S86 WeakPolarHBondContact O-CB 3.31Å; A82-S86 PolarHBondContact O-N 3.1Å; A82-S86 PolarHBondContact O-OG 3.29Å; S86-M88 PolarHBondContact O-N 3.32Å; S86-M88 WeakPolarHBondContact OG-CB 3.25Å; S86-M88 WeakPolarHBondContact OG-CG 3.08Å; S86-M88 PolarHBondContact OG-N 2.91Å
87G84.8Confident80.2Confident44 Ų4452.7 Ų52.745%0.45430%0.297SS..  trans73.7-4.5-173.900000114.9V83 K145V83-G87 WeakPolarHBondContact O-CA 3.42Å; V83-G87 PolarHBondContact O-N 3.25Å; G87-K145 PolarHBondContact O-NZ 3.22Å
88M86.9Confident81.8Confident88 Ų8853.6 Ų53.643%0.43330%0.303SS..  trans-59.8158.6-179.8-66.9-178.8-179.200112.1V83 S86 Q92V83-M88 WeakPolarHBondContact CG1-O 3.33Å; S86-M88 PolarHBondContact O-N 3.32Å; S86-M88 WeakPolarHBondContact OG-CB 3.25Å; S86-M88 WeakPolarHBondContact OG-CG 3.08Å; S86-M88 PolarHBondContact OG-N 2.91Å; M88-Q92 HydrophobicContact CB-CB 4.12Å
89S86.1Confident83Confident31 Ų3158.1 Ų58.122%0.21732%0.324CS..  trans-74.6161.6162.667.90000110.7R91 Q92 F93S89-R91 PolarHBondContact O-N 3.35Å; S89-Q92 PolarHBondContact O-N 2.91Å; S89-Q92 WeakPolarHBondContact OG-CG 3.21Å; S89-Q92 PolarHBondContact OG-N 3.42Å; S89-Q92 PolarHBondContact OG-OE1 2.85Å; S89-F93 PolarHBondContact O-N 3.12Å
90I85.2Confident84.2Confident10 Ų1058.4 Ų58.45%0.05133%0.326CS..Hα-helixtrans-59.2-39174.4-70.6153.8000110.8L72 V83 Q92 F93 L94 F142 K145 F146L72-I90 HydrophobicContact CD1-CG2 4.28Å; V83-I90 HydrophobicContact CG2-CG1 4.31Å; I90-Q92 PolarHBondContact O-N 2.94Å; I90-F93 PolarHBondContact O-N 2.87Å; I90-L94 HydrophobicContact CG2-CD1 3.73Å; I90-L94 HydrophobicContact CG2-CG 4.28Å; I90-L94 VanDerWaalsContact O-CG 3.22Å; I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 3.44Å; I90-F142 HydrophobicContact CD1-CD1 3.86Å; I90-F142 HydrophobicContact CD1-CD2 3.66Å; I90-F142 HydrophobicContact CD1-CE1 3.51Å; I90-F142 HydrophobicContact CD1-CE2 3.37Å; I90-F142 HydrophobicContact CD1-CG 3.9Å; I90-F142 HydrophobicContact CD1-CZ 3.29Å; I90-F142 WeakPolarHBondContact CD1-O 3.3Å; I90-F142 HydrophobicContact CG1-CE2 4.04Å; I90-F142 HydrophobicContact CG1-CZ 4.19Å; I90-F142 HydrophobicContact CG2-CZ 4.29Å; I90-K145 HydrophobicContact CD1-CB 4.09Å; I90-K145 HydrophobicContact CG1-CB 4.35Å; I90-K145 PolarHBondContact N-O 2.9Å; I90-F146 HydrophobicContact CD1-CB 3.79Å; I90-F146 HydrophobicContact CD1-CD2 4.27Å
91R88.3Confident85.5Confident26 Ų2657.3 Ų57.310%0.09832%0.32CS..Hα-helixtrans-57.7-48.1176.4172.3170.8-61.1-99.2-3.8112.3S89 L94 G95 L96 P97 D98 T100S89-R91 PolarHBondContact O-N 3.35Å; R91-L94 PolarHBondContact O-N 2.97Å; R91-G95 PolarHBondContact O-N 2.76Å; R91-L96 HydrophobicContact CG-CB 4.06Å; R91-L96 PolarHBondContact O-N 3.17Å; R91-L96 VanDerWaalsContact O-N 3.14Å; R91-P97 PolarHBondContact NH1-O 2.9Å; R91-D98 PolarHBondContact NH1-O 3.46Å; R91-T100 PolarHBondContact NH1-O 3.16Å; R91-T100 PolarHBondContact NH2-O 2.96Å
92Q88.7Confident86.4Confident127 Ų12755.6 Ų55.659%0.59331%0.308SS*.Hα-helixtrans-63.8-44.4179.7-75.4169-41.900111.4M88 S89 I90 L94 G95M88-Q92 HydrophobicContact CB-CB 4.12Å; S89-Q92 PolarHBondContact O-N 2.91Å; S89-Q92 WeakPolarHBondContact OG-CG 3.21Å; S89-Q92 PolarHBondContact OG-N 3.42Å; S89-Q92 PolarHBondContact OG-OE1 2.85Å; I90-Q92 PolarHBondContact O-N 2.94Å; Q92-L94 VanDerWaalsContact C-N 3.27Å; Q92-L94 PolarHBondContact O-N 3.39Å; Q92-G95 PolarHBondContact O-N 3.44Å; Q92-G95 VanDerWaalsContact O-N 3.09Å
93F86.7Confident87.3Confident81 Ų8154.7 Ų54.736%0.35530%0.3SS..Hα-helixtrans-60-38.9178.1179.2-98.4000112.4A79 A82 V83 S89 I90 G95A79-F93 HydrophobicContact CB-CD1 3.72Å; A79-F93 HydrophobicContact CB-CE1 3.39Å; A79-F93 HydrophobicContact CB-CZ 4.2Å; A82-F93 HydrophobicContact CB-CD2 4.09Å; A82-F93 HydrophobicContact CB-CE2 3.43Å; A82-F93 VanDerWaalsContact CB-CE2 3.43Å; A82-F93 HydrophobicContact CB-CZ 3.92Å; V83-F93 HydrophobicContact CG2-CB 3.74Å; V83-F93 HydrophobicContact CG2-CD2 4.46Å; V83-F93 HydrophobicContact CG2-CG 3.98Å; S89-F93 PolarHBondContact O-N 3.12Å; I90-F93 PolarHBondContact O-N 2.87Å; F93-G95 VanDerWaalsContact C-N 3.27Å; F93-G95 PolarHBondContact O-N 3.09Å
94L85.5Confident88Confident11 Ų1154.6 Ų54.66%0.05830%0.3CS..THydrogen-bonded Turntrans-82-2.4179.3-60.8178.3000113.8A39 L72 I90 R91 Q92 L96A39-L94 HydrophobicContact CB-CD2 4.4Å; A39-L94 WeakPolarHBondContact O-CD2 3.46Å; L72-L94 HydrophobicContact CD2-CD1 3.72Å; L72-L94 HydrophobicContact CD2-CD2 3.65Å; L72-L94 HydrophobicContact CD2-CG 4.22Å; I90-L94 HydrophobicContact CG2-CD1 3.73Å; I90-L94 HydrophobicContact CG2-CG 4.28Å; I90-L94 VanDerWaalsContact O-CG 3.22Å; I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 3.44Å; R91-L94 PolarHBondContact O-N 2.97Å; Q92-L94 VanDerWaalsContact C-N 3.27Å; Q92-L94 PolarHBondContact O-N 3.39Å; L94-L96 HydrophobicContact CB-CD1 4.16Å; L94-L96 HydrophobicContact CB-CG 3.79Å; L94-L96 HydrophobicContact CD1-CD1 3.98Å; L94-L96 HydrophobicContact CD1-CG 4.47Å; L94-L96 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact O-N 3.13Å
95G88.5Confident88.7Confident49 Ų4947.6 Ų47.651%0.50527%0.269SS..THydrogen-bonded Turntrans56.727.5-17500000113.3H47 R91 Q92 F93H47-G95 PolarHBondContact CE1-O 3Å; H47-G95 PolarHBondContact ND1-O 3.26Å; R91-G95 PolarHBondContact O-N 2.76Å; Q92-G95 PolarHBondContact O-N 3.44Å; Q92-G95 VanDerWaalsContact O-N 3.09Å; F93-G95 VanDerWaalsContact C-N 3.27Å; F93-G95 PolarHBondContact O-N 3.09Å
96L88.9Confident89Confident10 Ų1039.9 Ų39.95%0.05223%0.233CC..  trans-68.8131.2-177.4-73173.9000109.7G40 W65 R91 L94 T100 V102G40-L96 VanDerWaalsContact O-CD2 3.28Å; G40-L96 WeakPolarHBondContact O-CD2 3.47Å; W65-L96 HydrophobicContact CE3-CD2 3.94Å; W65-L96 HydrophobicContact CZ3-CD2 4.18Å; R91-L96 HydrophobicContact CG-CB 4.06Å; R91-L96 PolarHBondContact O-N 3.17Å; R91-L96 VanDerWaalsContact O-N 3.14Å; L94-L96 HydrophobicContact CB-CD1 4.16Å; L94-L96 HydrophobicContact CB-CG 3.79Å; L94-L96 HydrophobicContact CD1-CD1 3.98Å; L94-L96 HydrophobicContact CD1-CG 4.47Å; L94-L96 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact O-N 3.13Å; L96-T100 HydrophobicContact CD2-CG2 4.41Å; L96-V102 HydrophobicContact CD1-CG2 3.83Å
97P86Confident89.3Confident39 Ų3937.4 Ų37.425%0.25322%0.215SC..  trans-51.2145173.9-26.833.3000112.1R91 D99 T100R91-P97 PolarHBondContact NH1-O 2.9Å; P97-D99 WeakPolarHBondContact CB-OD1 3.39Å; P97-D99 PolarHBondContact O-N 2.97Å; P97-T100 VanDerWaalsContact O-CB 3.3Å; P97-T100 WeakPolarHBondContact O-CB 3.24Å; P97-T100 PolarHBondContact O-N 2.9Å; P97-T100 VanDerWaalsContact O-N 3.08Å; P97-T100 PolarHBondContact O-OG1 3.28Å
98D85.1Confident89.7Confident134 Ų13435.9 Ų35.972%0.71720%0.197SC*.THydrogen-bonded Turntrans-61.6-31.6-170.4-77.2-32.4000113.8R24 R91R24-D98 PolarHBondContact NH1-O 2.87Å; R24-D98 PolarHBondContact NH2-O 3.08Å; R91-D98 PolarHBondContact NH1-O 3.46Å
99D86.1Confident90.1Very high107 Ų10731.7 Ų31.757%0.57218%0.176SC*.THydrogen-bonded Turntrans-81.4-15.6179.964.7-36.1000113.6P97 L101P97-D99 WeakPolarHBondContact CB-OD1 3.39Å; P97-D99 PolarHBondContact O-N 2.97Å; D99-L101 PolarHBondContact O-N 2.95Å
100T90.9Very high90.5Very high11 Ų1131.2 Ų31.27%0.06717%0.174CC..  trans-58.7126.8179.4-63.20000110.8W65 R91 L96 P97 V102W65-T100 HydrophobicContact CB-CG2 4.03Å; W65-T100 VanDerWaalsContact CD1-CG2 3.5Å; W65-T100 HydrophobicContact CD2-CG2 3.76Å; W65-T100 HydrophobicContact CG-CG2 3.49Å; W65-T100 VanDerWaalsContact CG-CG2 3.49Å; R91-T100 PolarHBondContact NH1-O 3.16Å; R91-T100 PolarHBondContact NH2-O 2.96Å; L96-T100 HydrophobicContact CD2-CG2 4.41Å; P97-T100 VanDerWaalsContact O-CB 3.3Å; P97-T100 WeakPolarHBondContact O-CB 3.24Å; P97-T100 PolarHBondContact O-N 2.9Å; P97-T100 VanDerWaalsContact O-N 3.08Å; P97-T100 PolarHBondContact O-OG1 3.28Å; T100-V102 HydrophobicContact CG2-CG2 4.24Å
101L94.8Very high90.7Very high3 Ų333 Ų332%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-88145.8170.9-57.7175.8000109.3W21 V26 L28 Q62 V64 W65 D99W21-L101 HydrophobicContact CB-CD1 4.42Å; W21-L101 HydrophobicContact CB-CD2 4.37Å; W21-L101 HydrophobicContact CG-CD1 4.48Å; W21-L101 HydrophobicContact CG-CD2 4.45Å; V26-L101 HydrophobicContact CB-CD1 4.36Å; V26-L101 HydrophobicContact CG1-CD1 3.63Å; V26-L101 HydrophobicContact CG1-CD2 3.86Å; V26-L101 HydrophobicContact CG1-CG 4.35Å; L28-L101 HydrophobicContact CD1-CD1 3.81Å; L28-L101 HydrophobicContact CD2-CD1 4.29Å; Q62-L101 HydrophobicContact CB-CD1 4.36Å; V64-L101 CarbonylContact C-O 3.01Å; V64-L101 WeakPolarHBondContact CA-O 3.37Å; V64-L101 HydrophobicContact CB-CB 4.31Å; V64-L101 HydrophobicContact CG1-CB 4.38Å; V64-L101 HydrophobicContact CG2-CB 3.83Å; V64-L101 HydrophobicContact CG2-CD1 4.03Å; W65-L101 PolarHBondContact N-O 3.06Å; D99-L101 PolarHBondContact O-N 2.95Å
102V94.4Very high90.9Very high5 Ų534.8 Ų34.83%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-129.3136.9-175.6-171.50000111W21 W65 L96 T100 F146 C149W21-V102 PolarHBondContact NE1-O 3.49Å; W65-V102 WeakPolarHBondContact O-CA 3.33Å; W65-V102 WeakPolarHBondContact O-CG1 3.4Å; L96-V102 HydrophobicContact CD1-CG2 3.83Å; T100-V102 HydrophobicContact CG2-CG2 4.24Å; V102-F146 HydrophobicContact CB-CE2 4.31Å; V102-F146 HydrophobicContact CB-CZ 4.15Å; V102-F146 HydrophobicContact CG1-CE2 3.71Å; V102-F146 HydrophobicContact CG1-CZ 3.8Å; V102-C149 PolarHBondContact O-N 3.19Å
103F96Very high90.9Very high0 Ų029.4 Ų29.40%018%0.177CC..EExtended strand (participates in β ladder)trans-115.4135.4163.6-169.2-86.4000109.1W21 L34 V64 W65 L66 N67 C149 Q151 F193 V222 Y258W21-F103 AromaticContact CH2-CD2 3.84Å; W21-F103 HydrophobicContact CH2-CD2 3.84Å; W21-F103 HydrophobicContact CZ2-CB 3.99Å; W21-F103 AromaticContact CZ2-CD2 3.8Å; W21-F103 HydrophobicContact CZ2-CD2 3.8Å; W21-F103 HydrophobicContact CZ2-CG 4.39Å; L34-F103 HydrophobicContact CD1-CB 4.33Å; L34-F103 HydrophobicContact CD1-CD1 4.39Å; L34-F103 HydrophobicContact CD1-CG 4.31Å; V64-F103 HydrophobicContact CG1-CB 3.88Å; W65-F103 PolarHBondContact O-N 3.47Å; L66-F103 WeakPolarHBondContact CA-O 3.47Å; L66-F103 HydrophobicContact CD1-CB 4.39Å; L66-F103 HydrophobicContact CD1-CD1 3.59Å; L66-F103 HydrophobicContact CD1-CE1 4.39Å; L66-F103 HydrophobicContact CD1-CG 4.43Å; N67-F103 PolarHBondContact N-O 3.3Å; F103-C149 CarbonylContact C-O 3.59Å; F103-C149 VanDerWaalsContact CA-O 3.23Å; F103-C149 WeakPolarHBondContact CA-O 3.4Å; F103-C149 HydrophobicContact CD2-CB 3.82Å; F103-C149 HydrophobicContact CE2-CB 4.2Å; F103-Q151 HydrophobicContact CE1-CB 4.41Å; F103-Q151 HydrophobicContact CZ-CB 4.45Å; F103-F193 HydrophobicContact CD2-CE2 4.5Å; F103-F193 AromaticContact CE2-CD1 3.93Å; F103-F193 HydrophobicContact CE2-CD1 3.93Å; F103-F193 AromaticContact CE2-CD2 3.73Å; F103-F193 HydrophobicContact CE2-CD2 3.73Å; F103-F193 AromaticContact CE2-CE1 3.94Å; F103-F193 HydrophobicContact CE2-CE1 3.94Å; F103-F193 AromaticContact CE2-CE2 3.76Å; F103-F193 HydrophobicContact CE2-CE2 3.76Å; F103-F193 AromaticContact CE2-CG 3.84Å; F103-F193 HydrophobicContact CE2-CG 3.84Å; F103-F193 AromaticContact CE2-CZ 3.87Å; F103-F193 HydrophobicContact CE2-CZ 3.87Å; F103-F193 HydrophobicContact CZ-CB 4.44Å; F103-F193 HydrophobicContact CZ-CD1 4.14Å; F103-F193 HydrophobicContact CZ-CD2 4.35Å; F103-F193 HydrophobicContact CZ-CG 4.07Å; F103-V222 HydrophobicContact CZ-CG2 4.2Å; F103-Y258 HydrophobicContact CD1-CE1 4.48Å; F103-Y258 AromaticContact CE1-CD1 3.81Å; F103-Y258 HydrophobicContact CE1-CD1 3.81Å; F103-Y258 AromaticContact CE1-CE1 3.94Å; F103-Y258 HydrophobicContact CE1-CE1 3.94Å; F103-Y258 HydrophobicContact CZ-CD1 4.03Å
104L94.3Very high90.9Very high0 Ų031.3 Ų31.30%019%0.187CC..EExtended strand (participates in β ladder)trans-106.5110.9173.7-175.979.8000110.1N67 V69 L72 Y139 F142 F146 C149 A150 Q151N67-L104 HydrophobicContact CB-CD1 4.08Å; N67-L104 CarbonylContact O-C 3.52Å; N67-L104 VanDerWaalsContact O-CA 3.3Å; N67-L104 WeakPolarHBondContact O-CA 3.4Å; V69-L104 HydrophobicContact CG2-CD1 4.17Å; V69-L104 HydrophobicContact CG2-CD2 3.78Å; V69-L104 HydrophobicContact CG2-CG 3.94Å; L72-L104 HydrophobicContact CD1-CD1 3.82Å; L104-Y139 HydrophobicContact CD2-CE2 4.07Å; L104-F142 HydrophobicContact CD1-CE1 4.04Å; L104-F142 HydrophobicContact CD1-CZ 3.93Å; L104-F142 HydrophobicContact CD2-CD1 3.79Å; L104-F142 HydrophobicContact CD2-CE1 3.25Å; L104-F142 HydrophobicContact CD2-CZ 3.99Å; L104-F142 HydrophobicContact CG-CE1 4.23Å; L104-F146 HydrophobicContact CB-CE1 4.3Å; L104-F146 HydrophobicContact CB-CE2 4.12Å; L104-F146 HydrophobicContact CB-CZ 3.83Å; L104-C149 PolarHBondContact N-O 3.46Å; L104-A150 HydrophobicContact CB-CB 3.95Å; L104-A150 HydrophobicContact CD2-CB 4.13Å; L104-A150 CarbonylContact O-C 3.5Å; L104-A150 WeakPolarHBondContact O-CA 3.08Å; L104-Q151 WeakPolarHBondContact O-CB 2.83Å; L104-Q151 PolarHBondContact O-N 2.92Å
105S94.7Very high91Very high0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-83153.2165.459.60000111N67 A68 V69 N107N67-S105 PolarHBondContact O-N 2.68Å; N67-S105 PolarHBondContact O-OG 2.69Å; A68-S105 WeakPolarHBondContact CA-O 3.4Å; V69-S105 WeakPolarHBondContact CG2-O 3.47Å; V69-S105 PolarHBondContact N-O 2.91Å; S105-N107 WeakPolarHBondContact CB-O 2.95Å; S105-N107 PolarHBondContact OG-O 3.11Å
106F92.1Very high91Very high2 Ų234.7 Ų34.71%0.00921%0.214CC..SBendtrans-71.6-54.6174.3-177.7-113000110.6V69 S123 V125 V134 Q151 L153V69-F106 HydrophobicContact CB-CD2 4.24Å; V69-F106 WeakPolarHBondContact CB-O 3.49Å; V69-F106 HydrophobicContact CG1-CD2 4.35Å; V69-F106 HydrophobicContact CG1-CE2 4.27Å; V69-F106 HydrophobicContact CG2-CD2 4.08Å; F106-S123 VanDerWaalsContact CZ-CB 3.4Å; F106-V125 HydrophobicContact CD1-CG1 4.38Å; F106-V125 HydrophobicContact CD2-CG1 4.08Å; F106-V125 HydrophobicContact CE1-CG1 3.84Å; F106-V125 HydrophobicContact CE2-CG1 3.45Å; F106-V125 VanDerWaalsContact CE2-CG1 3.45Å; F106-V125 HydrophobicContact CG-CG1 4.49Å; F106-V125 HydrophobicContact CZ-CG1 3.32Å; F106-V134 HydrophobicContact CE2-CB 4.1Å; F106-V134 HydrophobicContact CE2-CG1 4.32Å; F106-V134 HydrophobicContact CE2-CG2 4.19Å; F106-V134 HydrophobicContact CZ-CB 4.49Å; F106-Q151 HydrophobicContact CB-CG 4.48Å; F106-L153 HydrophobicContact CD2-CD1 3.64Å; F106-L153 HydrophobicContact CE1-CD1 4.33Å; F106-L153 HydrophobicContact CE2-CD1 3.09Å; F106-L153 HydrophobicContact CG-CD1 4.47Å; F106-L153 HydrophobicContact CZ-CD1 3.49Å; F106-L153 VanDerWaalsContact CZ-CD1 3.49Å
107N91.5Very high90.9Very high7 Ų735.3 Ų35.34%0.03722%0.219CC..SBendtrans-90.2149175.4-65.4-61.5000111.2S105 P109 S156 E224 F229S105-N107 WeakPolarHBondContact CB-O 2.95Å; S105-N107 PolarHBondContact OG-O 3.11Å; N107-P109 WeakPolarHBondContact O-CD 3.3Å; N107-S156 PolarHBondContact ND2-OG 3.17Å; N107-S156 VanDerWaalsContact ND2-OG 3.14Å; N107-E224 PolarHBondContact ND2-OE2 3.35Å; N107-F229 HydrophobicContact CB-CD1 4.36Å; N107-F229 HydrophobicContact CB-CD2 3.9Å; N107-F229 HydrophobicContact CB-CE1 3.86Å; N107-F229 HydrophobicContact CB-CE2 3.38Å; N107-F229 HydrophobicContact CB-CG 4.37Å; N107-F229 HydrophobicContact CB-CZ 3.35Å; N107-F229 WeakPolarHBondContact ND2-CE2 3.08Å; N107-F229 WeakPolarHBondContact ND2-CZ 3.37Å
108D92.9Very high91Very high13 Ų1334.5 Ų34.57%0.0721%0.213CC..  trans-82.6117.9169.2-174.4-24.3000108.6H36 A68 A110 V111H36-D108 IonicContact CD2-OD1 3.32Å; H36-D108 IonicContact CE1-OD1 3.69Å; H36-D108 IonicContact NE2-OD1 3.83Å; H36-D108 PolarHBondContact NE2-OD1 3.5Å; H36-D108 IonicContact NE2-OD2 2.8Å; A68-D108 HydrophobicContact CB-CB 3.53Å; D108-A110 PolarHBondContact O-N 3.1Å; D108-A110 VanDerWaalsContact O-N 3.07Å; D108-A110 WeakPolarHBondContact OD1-CB 3.25Å; D108-A110 PolarHBondContact OD1-N 3.22Å; D108-V111 HydrophobicContact CB-CB 4Å; D108-V111 HydrophobicContact CB-CG2 3.9Å; D108-V111 PolarHBondContact O-N 2.86Å
109P95Very high91.1Very high0 Ų030.2 Ų30.20%019%0.19CC..THydrogen-bonded Turntrans-56.4-25.8179.4-25.735.3000114.1L66 N107 G230 P260 D280 S282L66-P109 HydrophobicContact CD2-CG 3.82Å; N107-P109 WeakPolarHBondContact O-CD 3.3Å; P109-G230 PolarHBondContact O-N 3.36Å; P109-P260 HydrophobicContact CG-CB 4.15Å; P109-D280 WeakPolarHBondContact CG-OD2 3.11Å; P109-S282 WeakPolarHBondContact CB-OG 3.33Å
110A93.9Very high91Very high20 Ų2029 Ų2917%0.16518%0.183CC..THydrogen-bonded Turntrans-88.2-7.5-179.600000114.2D108 L286D108-A110 PolarHBondContact O-N 3.1Å; D108-A110 VanDerWaalsContact O-N 3.07Å; D108-A110 WeakPolarHBondContact OD1-CB 3.25Å; D108-A110 PolarHBondContact OD1-N 3.22Å; A110-L286 HydrophobicContact CB-CD1 4.48Å; A110-L286 HydrophobicContact CB-CD2 4.04Å; A110-L286 HydrophobicContact CB-CG 4.18Å
111V91.2Very high90.7Very high47 Ų4732.4 Ų32.429%0.28521%0.208SC..SBendtrans-117.2118.5-175.1-178.20000110.3D108 M113 F126 F229D108-V111 HydrophobicContact CB-CB 4Å; D108-V111 HydrophobicContact CB-CG2 3.9Å; D108-V111 PolarHBondContact O-N 2.86Å; V111-M113 PolarHBondContact O-N 2.89Å; V111-F126 HydrophobicContact CG1-CB 4.32Å; V111-F229 WeakPolarHBondContact O-CB 3.49Å
112S90.6Very high90.3Very high64 Ų6432.6 Ų32.645%0.44821%0.209SC..  trans-63134.2178.6-60.30000112.6S228 F229S112-S228 CarbonylContact C-O 3.5Å; S112-S228 VanDerWaalsContact CA-O 3.29Å; S112-S228 WeakPolarHBondContact CA-O 3.5Å; S112-F229 PolarHBondContact OG-O 3.46Å
113M89.4Confident90.2Very high15 Ų1532.3 Ų32.37%0.07421%0.208CC..  trans-87.2146.7175-179.1-17865.600110.5V111 F126 D157 S228 F229V111-M113 PolarHBondContact O-N 2.89Å; M113-F126 HydrophobicContact CB-CD2 4.19Å; M113-F126 HydrophobicContact CB-CE2 4.4Å; M113-F126 HydrophobicContact CG-CD2 3.84Å; M113-F126 HydrophobicContact CG-CE2 3.64Å; M113-D157 HydrophobicContact CE-CB 3.95Å; M113-D157 HydrophobicContact SD-CB 4.22Å; M113-S228 PolarHBondContact N-O 2.99Å; M113-F229 HydrophobicContact CB-CD2 4.05Å; M113-F229 HydrophobicContact SD-CE2 4.42Å
114H86.7Confident89.9Confident121 Ų12132.4 Ų32.456%0.5621%0.208SC*.  trans-105.4138.1169.7-54.370.5000110.5F126H114-F126 HydrophobicContact CB-CD1 4.49Å; H114-F126 HydrophobicContact CB-CE1 3.66Å; H114-F126 HydrophobicContact CB-CE2 4.26Å; H114-F126 HydrophobicContact CB-CZ 3.53Å; H114-F126 AromaticContact CG-CE1 3.8Å; H114-F126 VanDerWaalsContact N-CE2 3.29Å; H114-F126 AromaticContact ND1-CD1 3.38Å; H114-F126 WeakPolarHBondContact ND1-CD1 3.23Å; H114-F126 AromaticContact ND1-CE1 3.39Å; H114-F126 WeakPolarHBondContact ND1-CE1 3.47Å; H114-F126 AromaticContact ND1-CG 3.97Å; H114-F126 WeakPolarHBondContact O-CE2 3.3Å; H114-F126 VanDerWaalsContact O-CZ 3.3Å; H114-F126 WeakPolarHBondContact O-CZ 3.42Å
115S88.9Confident89.7Confident60 Ų6032.5 Ų32.542%0.4221%0.209SC..SBendtrans-72.5161.3-179.3-71.40000113.9D157S115-D157 VanDerWaalsContact CA-OD1 3.22Å; S115-D157 WeakPolarHBondContact CA-OD1 3.14Å; S115-D157 WeakPolarHBondContact CA-OD2 3.44Å; S115-D157 WeakPolarHBondContact CB-OD1 3.37Å; S115-D157 PolarHBondContact OG-OD1 2.99Å
116G87.2Confident89.2Confident70 Ų7033.8 Ų33.872%0.72221%0.214SC*.SBendtrans80.416.5171.100000114.7D157G116-D157 PolarHBondContact N-OD2 3.41Å
117C86.9Confident88.5Confident23 Ų2334.8 Ų34.816%0.15522%0.22CC..  trans-104.1-1-173.4-71.40000115.1S124 F126C117-S124 PolarHBondContact O-OG 2.82Å; C117-F126 HydrophobicContact CB-CZ 3.99Å
118N88.4Confident87.5Confident23 Ų2344.7 Ų44.712%0.12326%0.257CS..  trans-102132.2-175.2-61.8-22000112.4S124 D155 R173N118-S124 PolarHBondContact OD1-N 2.87Å; N118-D155 PolarHBondContact ND2-OD1 2.96Å; N118-R173 PolarHBondContact O-NH1 2.92Å; N118-R173 PolarHBondContact O-NH2 3.24Å
119D87.5Confident86.7Confident43 Ų4348 Ų4823%0.2328%0.282CS..  trans-114.2-17617559.445.6000111.4S121 S122 K133 R173D119-S121 VanDerWaalsContact C-N 3.28Å; D119-S121 PolarHBondContact OD1-N 3.34Å; D119-S121 PolarHBondContact OD1-OG 3.27Å; D119-S122 PolarHBondContact N-O 3.33Å; D119-S122 WeakPolarHBondContact OD1-CA 3.4Å; D119-S122 PolarHBondContact OD1-N 2.96Å; D119-S122 PolarHBondContact OD1-OG 2.78Å; D119-S122 PolarHBondContact OD2-OG 2.9Å; D119-K133 IonicContact OD2-NZ 3.78Å; D119-K133 PolarHBondContact OD2-NZ 3.14Å; D119-R173 PolarHBondContact O-NE 2.76Å; D119-R173 PolarHBondContact O-NH2 2.74Å
120D83.8Confident86Confident81 Ų8149.7 Ų49.743%0.43330%0.299SS..SBendtrans-77.5-14.5-175.3-71.5-62.9000113.1K169 R172 R173D120-K169 VanDerWaalsContact OD1-CE 3.24Å; D120-K169 WeakPolarHBondContact OD1-CE 3.49Å; D120-K169 IonicContact OD1-NZ 2.81Å; D120-K169 WeakPolarHBondContact OD2-CE 3.3Å; D120-K169 IonicContact OD2-NZ 3.32Å; D120-K169 PolarHBondContact OD2-NZ 2.81Å; D120-R172 IonicContact OD1-CZ 2.76Å; D120-R172 IonicContact OD1-NH1 3.74Å; D120-R172 IonicContact OD1-NH2 2.74Å; D120-R172 PolarHBondContact OD1-NH2 2.79Å; D120-R173 VanDerWaalsContact N-NH2 3.19Å; D120-R173 IonicContact OD1-CZ 2.72Å; D120-R173 IonicContact OD1-NE 2.75Å; D120-R173 PolarHBondContact OD1-NE 3.49Å; D120-R173 IonicContact OD1-NH2 3.3Å; D120-R173 PolarHBondContact OD1-NH2 3.18Å; D120-R173 IonicContact OD2-NH2 3.58Å; D120-R173 PolarHBondContact OD2-NH2 2.84Å
121S84.2Confident85.6Confident84 Ų8455.2 Ų55.259%0.58732%0.315SS*.SBendtrans-110.3-11.8-179.6570000113.6D119D119-S121 VanDerWaalsContact C-N 3.28Å; D119-S121 PolarHBondContact OD1-N 3.34Å; D119-S121 PolarHBondContact OD1-OG 3.27Å
122S87.5Confident85.4Confident6 Ų655.2 Ų55.24%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-152.1148.9-177.2660000113.6D119 V134D119-S122 PolarHBondContact N-O 3.33Å; D119-S122 WeakPolarHBondContact OD1-CA 3.4Å; D119-S122 PolarHBondContact OD1-N 2.96Å; D119-S122 PolarHBondContact OD1-OG 2.78Å; D119-S122 PolarHBondContact OD2-OG 2.9Å; S122-V134 VanDerWaalsContact CA-O 3.25Å; S122-V134 WeakPolarHBondContact CA-O 3.46Å; S122-V134 WeakPolarHBondContact CB-O 3.44Å
123S91.2Very high85.3Confident0 Ų057.2 Ų57.20%031%0.313CS..EExtended strand (participates in β ladder)trans-108.7144.8165.7-63.40000109.7F106 V134 C154F106-S123 VanDerWaalsContact CZ-CB 3.4Å; S123-V134 PolarHBondContact N-O 2.83Å; S123-V134 PolarHBondContact O-N 3.09Å; S123-C154 VanDerWaalsContact CB-O 3.25Å; S123-C154 WeakPolarHBondContact CB-O 3.45Å; S123-C154 PolarHBondContact OG-O 3.04Å
124S90.8Very high85.3Confident1 Ų156.5 Ų56.51%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-92.7138.5179.4-70.50000111.3C117 N118 M132C117-S124 PolarHBondContact O-OG 2.82Å; N118-S124 PolarHBondContact OD1-N 2.87Å; S124-M132 CarbonylContact C-O 3.58Å; S124-M132 VanDerWaalsContact CA-O 3.25Å; S124-M132 WeakPolarHBondContact CA-O 3.49Å
125V88.4Confident85.5Confident2 Ų252.7 Ų52.71%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-111.4150.2164.9-61.90000109.4V69 F106 M132 V134V69-V125 HydrophobicContact CB-CG1 4.36Å; V69-V125 HydrophobicContact CG1-CG1 4.13Å; F106-V125 HydrophobicContact CD1-CG1 4.38Å; F106-V125 HydrophobicContact CD2-CG1 4.08Å; F106-V125 HydrophobicContact CE1-CG1 3.84Å; F106-V125 HydrophobicContact CE2-CG1 3.45Å; F106-V125 VanDerWaalsContact CE2-CG1 3.45Å; F106-V125 HydrophobicContact CG-CG1 4.49Å; F106-V125 HydrophobicContact CZ-CG1 3.32Å; V125-M132 HydrophobicContact CG2-CB 4.12Å; V125-M132 HydrophobicContact CG2-CE 3.92Å; V125-M132 PolarHBondContact N-O 2.8Å; V125-M132 PolarHBondContact O-N 3.13Å; V125-V134 HydrophobicContact CG1-CG2 4.14Å; V125-V134 HydrophobicContact CG2-CG2 3.88Å
126F85Confident85.6Confident27 Ų2751.2 Ų51.212%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-108.7137.3178.5-65.5-90.8000109.9V111 M113 H114 C117 R131V111-F126 HydrophobicContact CG1-CB 4.32Å; M113-F126 HydrophobicContact CB-CD2 4.19Å; M113-F126 HydrophobicContact CB-CE2 4.4Å; M113-F126 HydrophobicContact CG-CD2 3.84Å; M113-F126 HydrophobicContact CG-CE2 3.64Å; H114-F126 HydrophobicContact CB-CD1 4.49Å; H114-F126 HydrophobicContact CB-CE1 3.66Å; H114-F126 HydrophobicContact CB-CE2 4.26Å; H114-F126 HydrophobicContact CB-CZ 3.53Å; H114-F126 AromaticContact CG-CE1 3.8Å; H114-F126 VanDerWaalsContact N-CE2 3.29Å; H114-F126 AromaticContact ND1-CD1 3.38Å; H114-F126 WeakPolarHBondContact ND1-CD1 3.23Å; H114-F126 AromaticContact ND1-CE1 3.39Å; H114-F126 WeakPolarHBondContact ND1-CE1 3.47Å; H114-F126 AromaticContact ND1-CG 3.97Å; H114-F126 WeakPolarHBondContact O-CE2 3.3Å; H114-F126 VanDerWaalsContact O-CZ 3.3Å; H114-F126 WeakPolarHBondContact O-CZ 3.42Å; C117-F126 HydrophobicContact CB-CZ 3.99Å; F126-R131 HydrophobicContact CD1-CB 4.21Å; F126-R131 HydrophobicContact CD1-CG 4.47Å; F126-R131 HydrophobicContact CE1-CB 3.98Å; F126-R131 HydrophobicContact CE1-CG 3.99Å; F126-R131 HydrophobicContact CZ-CG 4.26Å
127T77.2Confident85.7Confident23 Ų2354 Ų5414%0.14128%0.282CS..EExtended strand (participates in β ladder)trans-133.7171-179.870.30000109.9G70 S129 G130 M132G70-T127 WeakPolarHBondContact O-CG2 3.37Å; T127-S129 PolarHBondContact O-N 3.18Å; T127-S129 VanDerWaalsContact O-N 3.13Å; T127-S129 PolarHBondContact OG1-N 2.57Å; T127-S129 VanDerWaalsContact OG1-N 3.15Å; T127-G130 PolarHBondContact N-O 3.36Å; T127-G130 PolarHBondContact O-N 3.37Å; T127-G130 PolarHBondContact OG1-N 2.88Å; T127-G130 PolarHBondContact OG1-O 2.94Å; T127-M132 HydrophobicContact CG2-CE 3.34Å
128R71.6Confident85.7Confident216 Ų21654.7 Ų54.782%0.81529%0.287SS*.THydrogen-bonded Turntrans-57.3-24.8170.5-66.6-173.1179.7-177.7-0.3113.1
129S74.9Confident85.8Confident83 Ų8353.6 Ų53.658%0.5828%0.281SS*.THydrogen-bonded Turntrans-91.32.2178.2-52.50000113.2G74 T127G74-S129 PolarHBondContact O-OG 3.14Å; T127-S129 PolarHBondContact O-N 3.18Å; T127-S129 VanDerWaalsContact O-N 3.13Å; T127-S129 PolarHBondContact OG1-N 2.57Å; T127-S129 VanDerWaalsContact OG1-N 3.15Å
130G81.3Confident85.9Confident34 Ų3455.6 Ų55.635%0.35129%0.288SS..EExtended strand (participates in β ladder)trans108.4-166.5-179.400000114T127T127-G130 PolarHBondContact N-O 3.36Å; T127-G130 PolarHBondContact O-N 3.37Å; T127-G130 PolarHBondContact OG1-N 2.88Å; T127-G130 PolarHBondContact OG1-O 2.94Å
131R86Confident86.1Confident136 Ų13654.8 Ų54.851%0.51328%0.28SS..EExtended strand (participates in β ladder)trans-75.6135.6-177.3-175-174.775.11771.8111F126F126-R131 HydrophobicContact CD1-CB 4.21Å; F126-R131 HydrophobicContact CD1-CG 4.47Å; F126-R131 HydrophobicContact CE1-CB 3.98Å; F126-R131 HydrophobicContact CE1-CG 3.99Å; F126-R131 HydrophobicContact CZ-CG 4.26Å
132M85.6Confident86.3Confident48 Ų4850.9 Ų50.924%0.23625%0.253CS..EExtended strand (participates in β ladder)trans-126.6139.8167.8-67.9-176.8-5700110.9Y73 G74 S124 V125 T127Y73-M132 VanDerWaalsContact C-CE 3.48Å; Y73-M132 VanDerWaalsContact O-SD 3.37Å; G74-M132 VanDerWaalsContact CA-CE 3.41Å; S124-M132 CarbonylContact C-O 3.58Å; S124-M132 VanDerWaalsContact CA-O 3.25Å; S124-M132 WeakPolarHBondContact CA-O 3.49Å; V125-M132 HydrophobicContact CG2-CB 4.12Å; V125-M132 HydrophobicContact CG2-CE 3.92Å; V125-M132 PolarHBondContact N-O 2.8Å; V125-M132 PolarHBondContact O-N 3.13Å; T127-M132 HydrophobicContact CG2-CE 3.34Å
133K88.3Confident86.4Confident105 Ų10550.6 Ų50.646%0.45725%0.251SS..EExtended strand (participates in β ladder)trans-89130.2172.3-69.7-171.2171.7-1590109.9D119D119-K133 IonicContact OD2-NZ 3.78Å; D119-K133 PolarHBondContact OD2-NZ 3.14Å
134V90.1Very high86.3Confident0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-109.6108.5175.5-175.90000107.4V69 Y73 F106 S122 S123 V125 Y139 L153V69-V134 HydrophobicContact CG1-CG1 4.46Å; V69-V134 HydrophobicContact CG1-CG2 3.93Å; Y73-V134 HydrophobicContact CD1-CG2 4.26Å; Y73-V134 HydrophobicContact CE1-CG1 4.15Å; Y73-V134 HydrophobicContact CE1-CG2 4.17Å; F106-V134 HydrophobicContact CE2-CB 4.1Å; F106-V134 HydrophobicContact CE2-CG1 4.32Å; F106-V134 HydrophobicContact CE2-CG2 4.19Å; F106-V134 HydrophobicContact CZ-CB 4.49Å; S122-V134 VanDerWaalsContact CA-O 3.25Å; S122-V134 WeakPolarHBondContact CA-O 3.46Å; S122-V134 WeakPolarHBondContact CB-O 3.44Å; S123-V134 PolarHBondContact N-O 2.83Å; S123-V134 PolarHBondContact O-N 3.09Å; V125-V134 HydrophobicContact CG1-CG2 4.14Å; V125-V134 HydrophobicContact CG2-CG2 3.88Å; V134-Y139 HydrophobicContact CG1-CD2 4.09Å; V134-Y139 HydrophobicContact CG1-CG 4.31Å; V134-L153 HydrophobicContact CB-CD1 4.29Å; V134-L153 HydrophobicContact CG1-CD1 4.09Å
135S90.4Very high86.1Confident41 Ų4157.3 Ų57.329%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-84.5165.617368.20000110.6D137 S138 Y139S135-D137 VanDerWaalsContact C-N 3.28Å; S135-D137 PolarHBondContact O-N 3.06Å; S135-S138 PolarHBondContact N-OG 3.45Å; S135-S138 PolarHBondContact O-N 3.19Å; S135-S138 PolarHBondContact O-OG 3.36Å; S135-S138 PolarHBondContact OG-N 3.35Å; S135-S138 PolarHBondContact OG-OG 3.22Å; S135-Y139 WeakPolarHBondContact O-CB 2.99Å; S135-Y139 PolarHBondContact O-N 3.35Å
136M91.4Very high86.1Confident29 Ų2957.9 Ų57.914%0.14329%0.286CS..Hα-helixtrans-62.8-35.7175.7-167.685.9-50.500113Y139 K140 L153 F177 E180M136-Y139 HydrophobicContact CE-CD1 3.89Å; M136-Y139 HydrophobicContact CE-CG 4.44Å; M136-Y139 PolarHBondContact O-N 3.13Å; M136-K140 VanDerWaalsContact O-CB 3.27Å; M136-K140 WeakPolarHBondContact O-CB 3.47Å; M136-K140 PolarHBondContact O-N 3.21Å; M136-L153 HydrophobicContact CE-CB 3.54Å; M136-L153 HydrophobicContact CE-CD2 3.5Å; M136-L153 VanDerWaalsContact CE-CD2 3.5Å; M136-L153 HydrophobicContact CE-CG 4.13Å; M136-F177 HydrophobicContact CE-CD1 4.25Å; M136-F177 HydrophobicContact SD-CD1 4.13Å; M136-E180 HydrophobicContact CG-CB 4.43Å; M136-E180 HydrophobicContact CG-CG 3.83Å; M136-E180 HydrophobicContact SD-CB 3.75Å; M136-E180 HydrophobicContact SD-CG 3.79Å
137D88.8Confident86.3Confident130 Ų13059.2 Ų59.270%0.69530%0.296SS*.Hα-helixtrans-65.8-44178.2-66.4-36000112.4S135 Y139 K140 F141S135-D137 VanDerWaalsContact C-N 3.28Å; S135-D137 PolarHBondContact O-N 3.06Å; D137-Y139 VanDerWaalsContact C-N 3.31Å; D137-K140 PolarHBondContact O-N 3.44Å; D137-F141 PolarHBondContact O-N 3.48Å; D137-F141 VanDerWaalsContact O-N 3.16Å
138S86.9Confident87.1Confident36 Ų3658.3 Ų58.325%0.25229%0.292SS..Hα-helixtrans-68.4-36.4178.171.30000111.1Y73 S135 F141 F142Y73-S138 PolarHBondContact OH-O 3.45Å; Y73-S138 VanDerWaalsContact OH-O 3.06Å; S135-S138 PolarHBondContact N-OG 3.45Å; S135-S138 PolarHBondContact O-N 3.19Å; S135-S138 PolarHBondContact O-OG 3.36Å; S135-S138 PolarHBondContact OG-N 3.35Å; S135-S138 PolarHBondContact OG-OG 3.22Å; S138-F141 PolarHBondContact O-N 3.39Å; S138-F142 PolarHBondContact O-N 3.06Å
139Y90.9Very high88.2Confident0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-69.2-39.2176.1-159.6-126000112.8V69 Y73 L104 V134 S135 M136 D137 F141 F142 L143 Q151 L153V69-Y139 HydrophobicContact CG2-CD2 4.48Å; V69-Y139 HydrophobicContact CG2-CE2 3.62Å; Y73-Y139 WeakPolarHBondContact OH-CA 3.3Å; Y73-Y139 PolarHBondContact OH-N 3.33Å; L104-Y139 HydrophobicContact CD2-CE2 4.07Å; V134-Y139 HydrophobicContact CG1-CD2 4.09Å; V134-Y139 HydrophobicContact CG1-CG 4.31Å; S135-Y139 WeakPolarHBondContact O-CB 2.99Å; S135-Y139 PolarHBondContact O-N 3.35Å; M136-Y139 HydrophobicContact CE-CD1 3.89Å; M136-Y139 HydrophobicContact CE-CG 4.44Å; M136-Y139 PolarHBondContact O-N 3.13Å; D137-Y139 VanDerWaalsContact C-N 3.31Å; Y139-F141 VanDerWaalsContact C-N 3.33Å; Y139-F141 PolarHBondContact O-N 3.02Å; Y139-F142 WeakPolarHBondContact O-CB 3.26Å; Y139-F142 PolarHBondContact O-N 3.38Å; Y139-F142 VanDerWaalsContact O-N 3.13Å; Y139-L143 HydrophobicContact CD1-CD1 3.8Å; Y139-L143 HydrophobicContact CD1-CG 4.17Å; Y139-L143 HydrophobicContact CE1-CD1 3.78Å; Y139-L143 HydrophobicContact CE1-CD2 4.11Å; Y139-L143 HydrophobicContact CE1-CG 4.05Å; Y139-L143 WeakPolarHBondContact O-CG 3.28Å; Y139-L143 PolarHBondContact O-N 3.39Å; Y139-Q151 PolarHBondContact OH-O 3.23Å; Y139-L153 HydrophobicContact CD1-CB 4.01Å; Y139-L153 HydrophobicContact CE1-CB 4.24Å
140K90.3Very high89.2Confident85 Ų8544.1 Ų44.137%0.3723%0.225SC..Hα-helixtrans-56.7-46.4173.1176.2174.6-179.7176.40111.7M136 D137 F142 L143 N144 I184M136-K140 VanDerWaalsContact O-CB 3.27Å; M136-K140 WeakPolarHBondContact O-CB 3.47Å; M136-K140 PolarHBondContact O-N 3.21Å; D137-K140 PolarHBondContact O-N 3.44Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 2.8Å; K140-L143 PolarHBondContact O-N 3.17Å; K140-N144 PolarHBondContact O-N 3.03Å; K140-N144 PolarHBondContact O-ND2 2.66Å; K140-I184 HydrophobicContact CB-CD1 3.64Å; K140-I184 HydrophobicContact CB-CG1 4.49Å; K140-I184 HydrophobicContact CD-CD1 3.91Å; K140-I184 HydrophobicContact CD-CG1 4.07Å; K140-I184 HydrophobicContact CG-CD1 3.62Å; K140-I184 HydrophobicContact CG-CG1 3.94Å; K140-I184 HydrophobicContact CG-CG2 4.11Å
141F87.3Confident90Very high64 Ų6442.5 Ų42.528%0.28121%0.208SC..Hα-helixtrans-59.4-42.7176.8178.2-87.1000111.4L80 V83 K84 D137 S138 Y139 K145L80-F141 HydrophobicContact CD2-CD1 3.31Å; L80-F141 HydrophobicContact CD2-CE1 3.67Å; V83-F141 HydrophobicContact CG1-CE1 4.45Å; K84-F141 HydrophobicContact CB-CE1 3.97Å; K84-F141 HydrophobicContact CB-CE2 4.46Å; K84-F141 HydrophobicContact CB-CZ 3.57Å; K84-F141 HydrophobicContact CD-CE2 4.38Å; K84-F141 HydrophobicContact CD-CZ 4.18Å; K84-F141 HydrophobicContact CG-CE1 4.39Å; K84-F141 HydrophobicContact CG-CE2 4.06Å; K84-F141 HydrophobicContact CG-CZ 3.64Å; D137-F141 PolarHBondContact O-N 3.48Å; D137-F141 VanDerWaalsContact O-N 3.16Å; S138-F141 PolarHBondContact O-N 3.39Å; Y139-F141 VanDerWaalsContact C-N 3.33Å; Y139-F141 PolarHBondContact O-N 3.02Å; F141-K145 HydrophobicContact CE1-CG 4.47Å; F141-K145 HydrophobicContact CZ-CG 4.45Å
142F87.4Confident90.5Very high2 Ų236 Ų361%0.00918%0.184CC..Hα-helixtrans-61-51.3175.8-173.8-79.7000111.8L72 Y73 L80 I90 L104 S138 Y139 K140 N144 K145 F146L72-F142 HydrophobicContact CB-CE2 3.91Å; L72-F142 HydrophobicContact CB-CZ 4.45Å; L72-F142 HydrophobicContact CD1-CE2 3.68Å; L72-F142 HydrophobicContact CD1-CZ 3.37Å; L72-F142 HydrophobicContact CG-CE2 4.44Å; Y73-F142 HydrophobicContact CE2-CB 4.4Å; Y73-F142 AromaticContact CE2-CD2 3.81Å; Y73-F142 HydrophobicContact CE2-CD2 3.81Å; Y73-F142 HydrophobicContact CE2-CE2 4.41Å; Y73-F142 HydrophobicContact CE2-CG 4.2Å; L80-F142 HydrophobicContact CD1-CD2 3.89Å; L80-F142 HydrophobicContact CD2-CB 4.1Å; L80-F142 HydrophobicContact CD2-CD2 4.11Å; L80-F142 HydrophobicContact CG-CD2 3.93Å; I90-F142 HydrophobicContact CD1-CD1 3.86Å; I90-F142 HydrophobicContact CD1-CD2 3.66Å; I90-F142 HydrophobicContact CD1-CE1 3.51Å; I90-F142 HydrophobicContact CD1-CE2 3.37Å; I90-F142 HydrophobicContact CD1-CG 3.9Å; I90-F142 HydrophobicContact CD1-CZ 3.29Å; I90-F142 WeakPolarHBondContact CD1-O 3.3Å; I90-F142 HydrophobicContact CG1-CE2 4.04Å; I90-F142 HydrophobicContact CG1-CZ 4.19Å; I90-F142 HydrophobicContact CG2-CZ 4.29Å; L104-F142 HydrophobicContact CD1-CE1 4.04Å; L104-F142 HydrophobicContact CD1-CZ 3.93Å; L104-F142 HydrophobicContact CD2-CD1 3.79Å; L104-F142 HydrophobicContact CD2-CE1 3.25Å; L104-F142 HydrophobicContact CD2-CZ 3.99Å; L104-F142 HydrophobicContact CG-CE1 4.23Å; S138-F142 PolarHBondContact O-N 3.06Å; Y139-F142 WeakPolarHBondContact O-CB 3.26Å; Y139-F142 PolarHBondContact O-N 3.38Å; Y139-F142 VanDerWaalsContact O-N 3.13Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 2.8Å; F142-N144 VanDerWaalsContact C-N 3.28Å; F142-N144 PolarHBondContact O-N 3.31Å; F142-K145 CarbonylContact O-C 3.49Å; F142-K145 PolarHBondContact O-N 2.85Å; F142-F146 HydrophobicContact CD1-CB 4.21Å; F142-F146 HydrophobicContact CE1-CB 3.9Å; F142-F146 AromaticContact CE1-CD2 3.8Å; F142-F146 HydrophobicContact CE1-CD2 3.8Å; F142-F146 AromaticContact CE1-CG 3.98Å; F142-F146 HydrophobicContact CE1-CG 3.98Å; F142-F146 HydrophobicContact CZ-CD2 4.23Å; F142-F146 WeakPolarHBondContact O-CB 3.22Å; F142-F146 PolarHBondContact O-N 2.86Å; F142-F146 VanDerWaalsContact O-N 3.13Å
143L90.5Very high90.9Very high1 Ų133.8 Ų33.81%0.00517%0.173CC..Hα-helixtrans-59.1-37.6-178.3-69.7176.7000112.3Y139 K140 K145 F146 A150 C181 I184Y139-L143 HydrophobicContact CD1-CD1 3.8Å; Y139-L143 HydrophobicContact CD1-CG 4.17Å; Y139-L143 HydrophobicContact CE1-CD1 3.78Å; Y139-L143 HydrophobicContact CE1-CD2 4.11Å; Y139-L143 HydrophobicContact CE1-CG 4.05Å; Y139-L143 WeakPolarHBondContact O-CG 3.28Å; Y139-L143 PolarHBondContact O-N 3.39Å; K140-L143 PolarHBondContact O-N 3.17Å; L143-K145 PolarHBondContact O-N 3.44Å; L143-F146 PolarHBondContact O-N 3.49Å; L143-A150 HydrophobicContact CD2-CB 3.72Å; L143-C181 HydrophobicContact CD1-CB 4.29Å; L143-I184 HydrophobicContact CB-CG2 4.17Å; L143-I184 HydrophobicContact CD1-CG2 4.46Å
144N89.3Confident91.2Very high72 Ų7228.8 Ų28.839%0.38515%0.151SC..Hα-helixtrans-65.5-19.8175.8-73.9-19.9000113.9K140 F142 N188K140-N144 PolarHBondContact O-N 3.03Å; K140-N144 PolarHBondContact O-ND2 2.66Å; F142-N144 VanDerWaalsContact C-N 3.28Å; F142-N144 PolarHBondContact O-N 3.31Å; N144-N188 PolarHBondContact OD1-ND2 3.37Å
145K86.8Confident91.5Very high70 Ų7028.8 Ų28.830%0.30415%0.151SC..THydrogen-bonded Turntrans-106.30.5179.5-68.8-67.5-170.6169.60112.9V83 G87 I90 F141 F142 L143V83-K145 HydrophobicContact CG1-CB 4.23Å; V83-K145 HydrophobicContact CG1-CG 4.15Å; G87-K145 PolarHBondContact O-NZ 3.22Å; I90-K145 HydrophobicContact CD1-CB 4.09Å; I90-K145 HydrophobicContact CG1-CB 4.35Å; I90-K145 PolarHBondContact N-O 2.9Å; F141-K145 HydrophobicContact CE1-CG 4.47Å; F141-K145 HydrophobicContact CZ-CG 4.45Å; F142-K145 CarbonylContact O-C 3.49Å; F142-K145 PolarHBondContact O-N 2.85Å; L143-K145 PolarHBondContact O-N 3.44Å
146F88.3Confident91.7Very high13 Ų1326.9 Ų26.96%0.05714%0.138CC..  trans-101.3142.7-175.7-179.6-101.2000110.9I90 V102 L104 F142 L143 C149 A150I90-F146 HydrophobicContact CD1-CB 3.79Å; I90-F146 HydrophobicContact CD1-CD2 4.27Å; V102-F146 HydrophobicContact CB-CE2 4.31Å; V102-F146 HydrophobicContact CB-CZ 4.15Å; V102-F146 HydrophobicContact CG1-CE2 3.71Å; V102-F146 HydrophobicContact CG1-CZ 3.8Å; L104-F146 HydrophobicContact CB-CE1 4.3Å; L104-F146 HydrophobicContact CB-CE2 4.12Å; L104-F146 HydrophobicContact CB-CZ 3.83Å; F142-F146 HydrophobicContact CD1-CB 4.21Å; F142-F146 HydrophobicContact CE1-CB 3.9Å; F142-F146 AromaticContact CE1-CD2 3.8Å; F142-F146 HydrophobicContact CE1-CD2 3.8Å; F142-F146 AromaticContact CE1-CG 3.98Å; F142-F146 HydrophobicContact CE1-CG 3.98Å; F142-F146 HydrophobicContact CZ-CD2 4.23Å; F142-F146 WeakPolarHBondContact O-CB 3.22Å; F142-F146 PolarHBondContact O-N 2.86Å; F142-F146 VanDerWaalsContact O-N 3.13Å; L143-F146 PolarHBondContact O-N 3.49Å; F146-C149 VanDerWaalsContact CE1-O 3.3Å; F146-C149 WeakPolarHBondContact CE1-O 3.4Å; F146-C149 WeakPolarHBondContact CZ-O 3.07Å; F146-A150 HydrophobicContact CD1-CB 4.36Å; F146-A150 HydrophobicContact CE1-CB 4.12Å
147T89.3Confident91.8Very high56 Ų5625.7 Ų25.734%0.34413%0.133SC..  trans-128.3116.6175.1-51.30000108.8
148G93.5Very high92Very high4 Ų419.8 Ų19.84%0.04110%0.101CC..EExtended strand (participates in β ladder)trans146.2-157-172.800000111A22 C190 G191A22-G148 VanDerWaalsContact CB-C 3.41Å; A22-G148 WeakPolarHBondContact CB-O 3.23Å; G148-C190 WeakPolarHBondContact O-CA 3.37Å; G148-G191 PolarHBondContact O-N 2.77Å
149C95.6Very high92Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-106.4146.6170.5-60.40000110.5M1 W21 V102 F103 L104 F146 G191 F193M1-C149 HydrophobicContact CE-CB 4.31Å; M1-C149 WeakPolarHBondContact CE-SG 3.36Å; W21-C149 HydrophobicContact CH2-CB 4.25Å; W21-C149 HydrophobicContact CZ2-CB 3.6Å; V102-C149 PolarHBondContact O-N 3.19Å; F103-C149 CarbonylContact C-O 3.59Å; F103-C149 VanDerWaalsContact CA-O 3.23Å; F103-C149 WeakPolarHBondContact CA-O 3.4Å; F103-C149 HydrophobicContact CD2-CB 3.82Å; F103-C149 HydrophobicContact CE2-CB 4.2Å; L104-C149 PolarHBondContact N-O 3.46Å; F146-C149 VanDerWaalsContact CE1-O 3.3Å; F146-C149 WeakPolarHBondContact CE1-O 3.4Å; F146-C149 WeakPolarHBondContact CZ-O 3.07Å; C149-G191 CarbonylContact C-O 3.49Å; C149-G191 WeakPolarHBondContact CA-O 3.3Å; C149-F193 HydrophobicContact CB-CD2 4.39Å; C149-F193 HydrophobicContact CB-CE2 3.96Å
150A95.8Very high91.9Very high0 Ų024.7 Ų24.70%014%0.139CC..EExtended strand (participates in β ladder)trans-134.9150.5-179.600000110.9L104 L143 F146 G191 I192 F193L104-A150 HydrophobicContact CB-CB 3.95Å; L104-A150 HydrophobicContact CD2-CB 4.13Å; L104-A150 CarbonylContact O-C 3.5Å; L104-A150 WeakPolarHBondContact O-CA 3.08Å; L143-A150 HydrophobicContact CD2-CB 3.72Å; F146-A150 HydrophobicContact CD1-CB 4.36Å; F146-A150 HydrophobicContact CE1-CB 4.12Å; A150-G191 PolarHBondContact N-O 2.81Å; A150-I192 HydrophobicContact CB-CD1 4.21Å; A150-I192 CarbonylContact O-C 3.52Å; A150-I192 WeakPolarHBondContact O-CA 3.35Å; A150-I192 WeakPolarHBondContact O-CD1 3.21Å; A150-F193 PolarHBondContact O-N 2.89Å
151Q97.2Very high91.9Very high0 Ų024.8 Ų24.80%016%0.164CC..EExtended strand (participates in β ladder)trans-77.6138.5167-174.9-179.9-000109.7F103 L104 F106 Y139 T195 V222 E224F103-Q151 HydrophobicContact CE1-CB 4.41Å; F103-Q151 HydrophobicContact CZ-CB 4.45Å; L104-Q151 WeakPolarHBondContact O-CB 2.83Å; L104-Q151 PolarHBondContact O-N 2.92Å; F106-Q151 HydrophobicContact CB-CG 4.48Å; Y139-Q151 PolarHBondContact OH-O 3.23Å; Q151-T195 WeakPolarHBondContact CG-OG1 3.43Å; Q151-T195 PolarHBondContact NE2-OG1 2.95Å; Q151-V222 HydrophobicContact CB-CG2 4.27Å; Q151-V222 HydrophobicContact CG-CB 4.26Å; Q151-V222 HydrophobicContact CG-CG2 3.77Å; Q151-E224 VanDerWaalsContact NE2-CD 3.27Å; Q151-E224 PolarHBondContact NE2-OE1 3.09Å; Q151-E224 PolarHBondContact OE1-OE1 3.44Å
152A96.1Very high92.2Very high0 Ų023 Ų230%016%0.16CC..PPolyproline II helixtrans-63.1150.4169.800000110.8C154 A178 C181 I192 F193A152-C154 PolarHBondContact O-N 3.42Å; A152-A178 HydrophobicContact CB-CB 4.14Å; A152-C181 HydrophobicContact CB-CB 4.03Å; A152-I192 HydrophobicContact CB-CD1 4.36Å; A152-I192 HydrophobicContact CB-CG1 4.16Å; A152-F193 WeakPolarHBondContact CB-O 3.27Å; A152-F193 PolarHBondContact N-O 2.69Å
153L94.4Very high92.5Very high1 Ų126.4 Ų26.41%0.00518%0.184CC..PPolyproline II helixtrans-53.2137.9169.5-173.369.1000108.9F106 V134 M136 Y139 F177F106-L153 HydrophobicContact CD2-CD1 3.64Å; F106-L153 HydrophobicContact CE1-CD1 4.33Å; F106-L153 HydrophobicContact CE2-CD1 3.09Å; F106-L153 HydrophobicContact CG-CD1 4.47Å; F106-L153 HydrophobicContact CZ-CD1 3.49Å; F106-L153 VanDerWaalsContact CZ-CD1 3.49Å; V134-L153 HydrophobicContact CB-CD1 4.29Å; V134-L153 HydrophobicContact CG1-CD1 4.09Å; M136-L153 HydrophobicContact CE-CB 3.54Å; M136-L153 HydrophobicContact CE-CD2 3.5Å; M136-L153 VanDerWaalsContact CE-CD2 3.5Å; M136-L153 HydrophobicContact CE-CG 4.13Å; Y139-L153 HydrophobicContact CD1-CB 4.01Å; Y139-L153 HydrophobicContact CE1-CB 4.24Å; L153-F177 HydrophobicContact CB-CB 3.96Å; L153-F177 HydrophobicContact CB-CD2 4.08Å; L153-F177 HydrophobicContact CB-CG 3.97Å; L153-F177 HydrophobicContact CD2-CD1 3.87Å; L153-F177 HydrophobicContact CD2-CD2 3.94Å; L153-F177 HydrophobicContact CD2-CE1 3.8Å; L153-F177 HydrophobicContact CD2-CE2 3.86Å; L153-F177 HydrophobicContact CD2-CG 3.95Å; L153-F177 HydrophobicContact CD2-CZ 3.8Å; L153-F177 HydrophobicContact CG-CD1 4.45Å; L153-F177 HydrophobicContact CG-CD2 3.77Å; L153-F177 HydrophobicContact CG-CE2 4Å; L153-F177 HydrophobicContact CG-CG 4.03Å; L153-F177 HydrophobicContact CG-CZ 4.44Å; L153-F177 WeakPolarHBondContact O-CB 3.19Å; L153-F177 WeakPolarHBondContact O-CD2 3.37Å
154C95.5Very high92.8Very high0 Ų030.9 Ų30.90%021%0.208CC..  trans-145.4162.5-175.7620000112.2S123 A152 T195S123-C154 VanDerWaalsContact CB-O 3.25Å; S123-C154 WeakPolarHBondContact CB-O 3.45Å; S123-C154 PolarHBondContact OG-O 3.04Å; A152-C154 PolarHBondContact O-N 3.42Å; C154-T195 HydrophobicContact CB-CG2 3.96Å
155D95.2Very high93.1Very high0 Ų037.4 Ų37.40%023%0.227CC..  trans-11382.4171.41809.2000108.5N118 R166 S170 R173 S174N118-D155 PolarHBondContact ND2-OD1 2.96Å; D155-R166 IonicContact OD1-CZ 3.53Å; D155-R166 IonicContact OD1-NH1 2.75Å; D155-R166 IonicContact OD1-NH2 3.85Å; D155-R166 PolarHBondContact OD1-NH2 3.33Å; D155-R166 IonicContact OD2-CZ 2.91Å; D155-R166 IonicContact OD2-NH1 3.2Å; D155-R166 PolarHBondContact OD2-NH1 2.86Å; D155-R166 IonicContact OD2-NH2 3.4Å; D155-R166 PolarHBondContact OD2-NH2 3.16Å; D155-S170 VanDerWaalsContact O-CB 3.3Å; D155-S170 WeakPolarHBondContact O-CB 3.4Å; D155-S170 PolarHBondContact O-OG 3.3Å; D155-R173 HydrophobicContact CB-CB 4.12Å; D155-R173 VanDerWaalsContact OD2-CD 3.31Å; D155-R173 WeakPolarHBondContact OD2-CD 3.4Å; D155-R173 IonicContact OD2-CZ 2.92Å; D155-R173 IonicContact OD2-NE 2.73Å; D155-R173 IonicContact OD2-NH1 4Å; D155-R173 PolarHBondContact OD2-NH1 3.22Å; D155-S174 PolarHBondContact N-OG 2.84Å
156S94.7Very high93.5Very high2 Ų236.5 Ų36.51%0.01422%0.221CC..  trans-94.39.4-17849.90000114.3N107 N158 E224 G225N107-S156 PolarHBondContact ND2-OG 3.17Å; N107-S156 VanDerWaalsContact ND2-OG 3.14Å; S156-N158 VanDerWaalsContact C-N 3.26Å; S156-N158 PolarHBondContact O-N 2.94Å; S156-E224 WeakPolarHBondContact CB-OE2 3.19Å; S156-E224 PolarHBondContact OG-OE2 3.22Å; S156-G225 WeakPolarHBondContact O-CA 3.32Å
157D93.7Very high93.9Very high4 Ų436.1 Ų36.12%0.02122%0.22CC..  trans-73.679.8175171.838000110.7M113 S115 G116 P159 R166M113-D157 HydrophobicContact CE-CB 3.95Å; M113-D157 HydrophobicContact SD-CB 4.22Å; S115-D157 VanDerWaalsContact CA-OD1 3.22Å; S115-D157 WeakPolarHBondContact CA-OD1 3.14Å; S115-D157 WeakPolarHBondContact CA-OD2 3.44Å; S115-D157 WeakPolarHBondContact CB-OD1 3.37Å; S115-D157 PolarHBondContact OG-OD1 2.99Å; G116-D157 PolarHBondContact N-OD2 3.41Å; D157-P159 VanDerWaalsContact C-CD 3.46Å; D157-P159 WeakPolarHBondContact OD1-CD 3.22Å; D157-R166 PolarHBondContact O-NE 3.06Å; D157-R166 PolarHBondContact O-NH2 3.06Å; D157-R166 IonicContact OD2-NH2 3.05Å; D157-R166 PolarHBondContact OD2-NH2 2.85Å
158N93.2Very high94.3Very high5 Ų538.6 Ų38.63%0.02723%0.228CC..  trans-124.464.4-178.1-55.8157.3000110.6S156 L167 S170 G198 G199S156-N158 VanDerWaalsContact C-N 3.26Å; S156-N158 PolarHBondContact O-N 2.94Å; N158-L167 HydrophobicContact CB-CD2 3.88Å; N158-S170 WeakPolarHBondContact ND2-CB 3.19Å; N158-S170 PolarHBondContact ND2-OG 3.31Å; N158-S170 PolarHBondContact OD1-OG 3.46Å; N158-G198 PolarHBondContact OD1-N 2.65Å; N158-G198 VanDerWaalsContact OD1-N 3.11Å; N158-G199 PolarHBondContact OD1-N 3Å; N158-G199 VanDerWaalsContact OD1-N 3.15Å
159P87.5Confident94.4Very high53 Ų5341.9 Ų41.934%0.34424%0.241SC..  trans-56.4151.2179.125.3-34.8000111.1D157 G161 S162D157-P159 VanDerWaalsContact C-CD 3.46Å; D157-P159 WeakPolarHBondContact OD1-CD 3.22Å; P159-G161 PolarHBondContact O-N 3.38Å; P159-S162 VanDerWaalsContact CD-OG 3.3Å; P159-S162 WeakPolarHBondContact CD-OG 3.35Å; P159-S162 WeakPolarHBondContact O-CB 3.02Å; P159-S162 PolarHBondContact O-N 2.84Å; P159-S162 PolarHBondContact O-OG 3.28Å
160A88.1Confident94.4Very high86 Ų8641.9 Ų41.971%0.71124%0.241SC*.THydrogen-bonded Turntrans-53.6133.6175.500000110.4Y200A160-Y200 HydrophobicContact CB-CE2 4.5Å
161G90.2Very high94.5Very high87 Ų8742 Ų4290%0.89724%0.241SC*.THydrogen-bonded Turntrans84.29.1-173.500000115.2P159P159-G161 PolarHBondContact O-N 3.38Å
162S93.3Very high94.5Very high27 Ų2748.3 Ų48.319%0.18927%0.265CS..  trans-55.4137.6170.7-72.30000111.9P159P159-S162 VanDerWaalsContact CD-OG 3.3Å; P159-S162 WeakPolarHBondContact CD-OG 3.35Å; P159-S162 WeakPolarHBondContact O-CB 3.02Å; P159-S162 PolarHBondContact O-N 2.84Å; P159-S162 PolarHBondContact O-OG 3.28Å
163S95.4Very high94.5Very high73 Ų7348.7 Ų48.751%0.5127%0.267SS..  trans-68.7153.2175.765.60000112.1R165 R166 L167S163-R165 PolarHBondContact O-N 2.96Å; S163-R166 WeakPolarHBondContact O-CA 3.31Å; S163-R166 WeakPolarHBondContact O-CB 3.25Å; S163-R166 PolarHBondContact O-N 3.22Å; S163-R166 PolarHBondContact OG-N 3.38Å; S163-L167 PolarHBondContact O-N 3.11Å; S163-L167 VanDerWaalsContact O-N 3.1Å
164N95.4Very high94.7Very high96 Ų9648.8 Ų48.851%0.51327%0.268SS..Hα-helixtrans-51.6-42.7175.6-72.4-5.2000112.2R166 L167 E168N164-R166 VanDerWaalsContact C-N 3.28Å; N164-R166 PolarHBondContact O-N 3.23Å; N164-L167 PolarHBondContact O-N 3.4Å; N164-L167 VanDerWaalsContact O-N 3.14Å; N164-E168 WeakPolarHBondContact O-CG 3.39Å; N164-E168 PolarHBondContact O-N 3.05Å
165R95.5Very high94.8Very high208 Ų20850 Ų5079%0.78527%0.274SS*.Hα-helixtrans-58.8-36.6176-173179.9179.1-1700.9112.9S163 K169S163-R165 PolarHBondContact O-N 2.96Å; R165-K169 WeakPolarHBondContact O-CB 3.41Å; R165-K169 PolarHBondContact O-N 3.28Å
166R95.4Very high94.9Very high51 Ų5152.8 Ų52.819%0.19230%0.297CS..Hα-helixtrans-70.1-41.3177.2172.962-170.1110-13.1111.4D155 D157 S163 N164 K169 S170D155-R166 IonicContact OD1-CZ 3.53Å; D155-R166 IonicContact OD1-NH1 2.75Å; D155-R166 IonicContact OD1-NH2 3.85Å; D155-R166 PolarHBondContact OD1-NH2 3.33Å; D155-R166 IonicContact OD2-CZ 2.91Å; D155-R166 IonicContact OD2-NH1 3.2Å; D155-R166 PolarHBondContact OD2-NH1 2.86Å; D155-R166 IonicContact OD2-NH2 3.4Å; D155-R166 PolarHBondContact OD2-NH2 3.16Å; D157-R166 PolarHBondContact O-NE 3.06Å; D157-R166 PolarHBondContact O-NH2 3.06Å; D157-R166 IonicContact OD2-NH2 3.05Å; D157-R166 PolarHBondContact OD2-NH2 2.85Å; S163-R166 WeakPolarHBondContact O-CA 3.31Å; S163-R166 WeakPolarHBondContact O-CB 3.25Å; S163-R166 PolarHBondContact O-N 3.22Å; S163-R166 PolarHBondContact OG-N 3.38Å; N164-R166 VanDerWaalsContact C-N 3.28Å; N164-R166 PolarHBondContact O-N 3.23Å; R166-K169 PolarHBondContact O-N 3.14Å; R166-S170 PolarHBondContact O-N 2.96Å
167L97Very high94.9Very high6 Ų653.3 Ų53.33%0.03130%0.299CS..Hα-helixtrans-67-46.4178.7-59.5179.4000111.1N158 S163 N164 K169 S170 V171 D201 Q204N158-L167 HydrophobicContact CB-CD2 3.88Å; S163-L167 PolarHBondContact O-N 3.11Å; S163-L167 VanDerWaalsContact O-N 3.1Å; N164-L167 PolarHBondContact O-N 3.4Å; N164-L167 VanDerWaalsContact O-N 3.14Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.35Å; L167-S170 WeakPolarHBondContact O-CB 3.35Å; L167-S170 PolarHBondContact O-N 3.4Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 3.26Å; L167-D201 HydrophobicContact CD1-CB 3.56Å; L167-Q204 HydrophobicContact CB-CB 4.39Å; L167-Q204 HydrophobicContact CB-CG 3.86Å; L167-Q204 HydrophobicContact CD1-CG 4.39Å
168E96.9Very high95.1Very high107 Ų10753.1 Ų53.150%0.530%0.298SS..Hα-helixtrans-55.4-42.1173.5-74.7173.8-175.400111.8N164 V171 R172N164-E168 WeakPolarHBondContact O-CG 3.39Å; N164-E168 PolarHBondContact O-N 3.05Å; E168-V171 PolarHBondContact O-N 2.85Å; E168-R172 VanDerWaalsContact O-CB 3.29Å; E168-R172 WeakPolarHBondContact O-CB 3.47Å; E168-R172 PolarHBondContact O-N 3.48Å
169K96Very high95.3Very high73 Ų7354.3 Ų54.332%0.31731%0.308SS..Hα-helixtrans-63.9-42.4177.5-158.5-179.7-162.1-170.20111.8D120 R165 R166 L167 R173D120-K169 VanDerWaalsContact OD1-CE 3.24Å; D120-K169 WeakPolarHBondContact OD1-CE 3.49Å; D120-K169 IonicContact OD1-NZ 2.81Å; D120-K169 WeakPolarHBondContact OD2-CE 3.3Å; D120-K169 IonicContact OD2-NZ 3.32Å; D120-K169 PolarHBondContact OD2-NZ 2.81Å; R165-K169 WeakPolarHBondContact O-CB 3.41Å; R165-K169 PolarHBondContact O-N 3.28Å; R166-K169 PolarHBondContact O-N 3.14Å; L167-K169 VanDerWaalsContact C-N 3.26Å; L167-K169 PolarHBondContact O-N 3.35Å; K169-R173 WeakPolarHBondContact O-CB 3.22Å; K169-R173 WeakPolarHBondContact O-CD 3.42Å; K169-R173 VanDerWaalsContact O-CG 3.23Å; K169-R173 WeakPolarHBondContact O-CG 3.26Å; K169-R173 PolarHBondContact O-N 3.48Å
170S96.7Very high95.7Very high0 Ų054.9 Ų54.90%031%0.307CS..Hα-helixtrans-62.8-47.2177.4156.10000111.9D155 N158 R166 L167 S174 V197D155-S170 VanDerWaalsContact O-CB 3.3Å; D155-S170 WeakPolarHBondContact O-CB 3.4Å; D155-S170 PolarHBondContact O-OG 3.3Å; N158-S170 WeakPolarHBondContact ND2-CB 3.19Å; N158-S170 PolarHBondContact ND2-OG 3.31Å; N158-S170 PolarHBondContact OD1-OG 3.46Å; R166-S170 PolarHBondContact O-N 2.96Å; L167-S170 WeakPolarHBondContact O-CB 3.35Å; L167-S170 PolarHBondContact O-N 3.4Å; S170-S174 WeakPolarHBondContact O-CB 3.29Å; S170-S174 PolarHBondContact O-N 2.95Å; S170-S174 PolarHBondContact O-OG 3.46Å; S170-V197 WeakPolarHBondContact OG-CB 3.39Å; S170-V197 VanDerWaalsContact OG-CG2 3.29Å; S170-V197 WeakPolarHBondContact OG-CG2 3.29Å
171V98Very high96.1Very high2 Ų250.8 Ų50.81%0.01227%0.273CS..Hα-helixtrans-61.4-52.5176.7174.80000110.2L167 E168 R173 S174 L175 V197 Q204 C208L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 3.26Å; E168-V171 PolarHBondContact O-N 2.85Å; V171-R173 PolarHBondContact O-N 2.85Å; V171-S174 PolarHBondContact O-N 3.42Å; V171-L175 HydrophobicContact CG1-CD1 3.71Å; V171-L175 HydrophobicContact CG1-CG 4.25Å; V171-L175 WeakPolarHBondContact O-CB 3.36Å; V171-L175 VanDerWaalsContact O-CG 3.25Å; V171-L175 WeakPolarHBondContact O-CG 3.35Å; V171-L175 PolarHBondContact O-N 3.26Å; V171-V197 HydrophobicContact CB-CG2 4.4Å; V171-V197 HydrophobicContact CG2-CG2 3.97Å; V171-Q204 HydrophobicContact CG2-CB 4.3Å; V171-C208 HydrophobicContact CG1-CB 3.82Å; V171-C208 HydrophobicContact CG2-CB 4.17Å
172R97.3Very high96.4Very high133 Ų13347.3 Ų47.350%0.50223%0.233SC..Hα-helixtrans-56.5-45.7-179.4-176.1-175.458.471.43112.7D120 E168 A176D120-R172 IonicContact OD1-CZ 2.76Å; D120-R172 IonicContact OD1-NH1 3.74Å; D120-R172 IonicContact OD1-NH2 2.74Å; D120-R172 PolarHBondContact OD1-NH2 2.79Å; E168-R172 VanDerWaalsContact O-CB 3.29Å; E168-R172 WeakPolarHBondContact O-CB 3.47Å; E168-R172 PolarHBondContact O-N 3.48Å; R172-A176 PolarHBondContact O-N 3.1Å; R172-A176 VanDerWaalsContact O-N 3.14Å
173R96.2Very high96.5Very high8 Ų851.7 Ų51.73%0.0325%0.249CC..Hα-helixtrans-64.7-48.4178.9-74.4167.5176-175.1-15.4111.6N118 D119 D120 D155 K169 V171 L175 A176 F177N118-R173 PolarHBondContact O-NH1 2.92Å; N118-R173 PolarHBondContact O-NH2 3.24Å; D119-R173 PolarHBondContact O-NE 2.76Å; D119-R173 PolarHBondContact O-NH2 2.74Å; D120-R173 VanDerWaalsContact N-NH2 3.19Å; D120-R173 IonicContact OD1-CZ 2.72Å; D120-R173 IonicContact OD1-NE 2.75Å; D120-R173 PolarHBondContact OD1-NE 3.49Å; D120-R173 IonicContact OD1-NH2 3.3Å; D120-R173 PolarHBondContact OD1-NH2 3.18Å; D120-R173 IonicContact OD2-NH2 3.58Å; D120-R173 PolarHBondContact OD2-NH2 2.84Å; D155-R173 HydrophobicContact CB-CB 4.12Å; D155-R173 VanDerWaalsContact OD2-CD 3.31Å; D155-R173 WeakPolarHBondContact OD2-CD 3.4Å; D155-R173 IonicContact OD2-CZ 2.92Å; D155-R173 IonicContact OD2-NE 2.73Å; D155-R173 IonicContact OD2-NH1 4Å; D155-R173 PolarHBondContact OD2-NH1 3.22Å; K169-R173 WeakPolarHBondContact O-CB 3.22Å; K169-R173 WeakPolarHBondContact O-CD 3.42Å; K169-R173 VanDerWaalsContact O-CG 3.23Å; K169-R173 WeakPolarHBondContact O-CG 3.26Å; K169-R173 PolarHBondContact O-N 3.48Å; V171-R173 PolarHBondContact O-N 2.85Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.29Å; R173-A176 PolarHBondContact O-N 3.05Å; R173-F177 HydrophobicContact CB-CE2 4.14Å; R173-F177 VanDerWaalsContact O-CD2 3.26Å; R173-F177 WeakPolarHBondContact O-CD2 3.41Å; R173-F177 VanDerWaalsContact O-CG 3.3Å; R173-F177 WeakPolarHBondContact O-CG 3.46Å; R173-F177 PolarHBondContact O-N 2.71Å
174S97.2Very high96.4Very high3 Ų348.4 Ų48.42%0.02123%0.226CC..Hα-helixtrans-62.6-37.7-178.4-55.40000111.9D155 S170 V171 A178D155-S174 PolarHBondContact N-OG 2.84Å; S170-S174 WeakPolarHBondContact O-CB 3.29Å; S170-S174 PolarHBondContact O-N 2.95Å; S170-S174 PolarHBondContact O-OG 3.46Å; V171-S174 PolarHBondContact O-N 3.42Å; S174-A178 VanDerWaalsContact O-CB 3.3Å; S174-A178 WeakPolarHBondContact O-CB 3.41Å; S174-A178 PolarHBondContact O-N 3.19Å
175L97.7Very high96.3Very high26 Ų2644.1 Ų44.114%0.13620%0.203CC..Hα-helixtrans-65.5-43.8174-68.5173.1000112.6V171 R173 F177 A178 A179 K211 L212V171-L175 HydrophobicContact CG1-CD1 3.71Å; V171-L175 HydrophobicContact CG1-CG 4.25Å; V171-L175 WeakPolarHBondContact O-CB 3.36Å; V171-L175 VanDerWaalsContact O-CG 3.25Å; V171-L175 WeakPolarHBondContact O-CG 3.35Å; V171-L175 PolarHBondContact O-N 3.26Å; R173-L175 VanDerWaalsContact C-N 3.3Å; R173-L175 PolarHBondContact O-N 3.29Å; L175-F177 VanDerWaalsContact C-N 3.35Å; L175-A178 PolarHBondContact O-N 3.41Å; L175-A179 PolarHBondContact O-N 2.99Å; L175-K211 HydrophobicContact CD1-CB 3.47Å; L175-K211 VanDerWaalsContact CD1-CB 3.47Å; L175-K211 HydrophobicContact CD1-CG 3.76Å; L175-K211 HydrophobicContact CD2-CB 3.5Å; L175-K211 HydrophobicContact CG-CB 4.12Å; L175-L212 HydrophobicContact CD2-CD2 3.73Å; L175-L212 HydrophobicContact CD2-CG 3.67Å
176A96.6Very high96Very high58 Ų5839.6 Ų39.648%0.47919%0.194SC..Hα-helixtrans-62-44177.200000111.5R172 R173 A179 E180R172-A176 PolarHBondContact O-N 3.1Å; R172-A176 VanDerWaalsContact O-N 3.14Å; R173-A176 PolarHBondContact O-N 3.05Å; A176-A179 PolarHBondContact O-N 3.08Å; A176-E180 PolarHBondContact O-N 2.83Å
177F96.1Very high95.6Very high14 Ų1444.6 Ų44.66%0.06122%0.22CC..Hα-helixtrans-65-42.2175.6-67-31.6000112.9M136 L153 R173 L175 A179 E180 C181M136-F177 HydrophobicContact CE-CD1 4.25Å; M136-F177 HydrophobicContact SD-CD1 4.13Å; L153-F177 HydrophobicContact CB-CB 3.96Å; L153-F177 HydrophobicContact CB-CD2 4.08Å; L153-F177 HydrophobicContact CB-CG 3.97Å; L153-F177 HydrophobicContact CD2-CD1 3.87Å; L153-F177 HydrophobicContact CD2-CD2 3.94Å; L153-F177 HydrophobicContact CD2-CE1 3.8Å; L153-F177 HydrophobicContact CD2-CE2 3.86Å; L153-F177 HydrophobicContact CD2-CG 3.95Å; L153-F177 HydrophobicContact CD2-CZ 3.8Å; L153-F177 HydrophobicContact CG-CD1 4.45Å; L153-F177 HydrophobicContact CG-CD2 3.77Å; L153-F177 HydrophobicContact CG-CE2 4Å; L153-F177 HydrophobicContact CG-CG 4.03Å; L153-F177 HydrophobicContact CG-CZ 4.44Å; L153-F177 WeakPolarHBondContact O-CB 3.19Å; L153-F177 WeakPolarHBondContact O-CD2 3.37Å; R173-F177 HydrophobicContact CB-CE2 4.14Å; R173-F177 VanDerWaalsContact O-CD2 3.26Å; R173-F177 WeakPolarHBondContact O-CD2 3.41Å; R173-F177 VanDerWaalsContact O-CG 3.3Å; R173-F177 WeakPolarHBondContact O-CG 3.46Å; R173-F177 PolarHBondContact O-N 2.71Å; L175-F177 VanDerWaalsContact C-N 3.35Å; F177-A179 VanDerWaalsContact C-N 3.34Å; F177-A179 PolarHBondContact O-N 3.24Å; F177-E180 PolarHBondContact O-N 2.81Å; F177-C181 WeakPolarHBondContact O-CB 3.38Å; F177-C181 PolarHBondContact O-N 3.09Å; F177-C181 PolarHBondContact O-SG 3.14Å
178A97.3Very high94.9Very high0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-60.1-44.6176.800000111.7A152 S174 L175 E180 L182 L212 L215A152-A178 HydrophobicContact CB-CB 4.14Å; S174-A178 VanDerWaalsContact O-CB 3.3Å; S174-A178 WeakPolarHBondContact O-CB 3.41Å; S174-A178 PolarHBondContact O-N 3.19Å; L175-A178 PolarHBondContact O-N 3.41Å; A178-E180 VanDerWaalsContact C-N 3.34Å; A178-E180 PolarHBondContact O-N 3.48Å; A178-L182 VanDerWaalsContact O-CB 3.27Å; A178-L182 WeakPolarHBondContact O-CB 3.37Å; A178-L182 PolarHBondContact O-N 3.21Å; A178-L212 HydrophobicContact CB-CD2 3.89Å; A178-L215 HydrophobicContact CB-CD1 3.9Å
179A97.1Very high94.2Very high29 Ų2946.7 Ų46.724%0.2424%0.238CC..Hα-helixtrans-61.3-41.2177.300000112.2L175 A176 F177 K183 L215L175-A179 PolarHBondContact O-N 2.99Å; A176-A179 PolarHBondContact O-N 3.08Å; F177-A179 VanDerWaalsContact C-N 3.34Å; F177-A179 PolarHBondContact O-N 3.24Å; A179-K183 WeakPolarHBondContact O-CG 3.21Å; A179-K183 PolarHBondContact O-N 3.28Å; A179-L215 HydrophobicContact CB-CD1 4.3Å; A179-L215 HydrophobicContact CB-CD2 4.16Å
180E95.9Very high94Very high66 Ų6643.8 Ų43.831%0.30823%0.227SC..Hα-helixtrans-74-42.8179.9-167.160-160.100112.6M136 A176 F177 A178 L182 K183 I184M136-E180 HydrophobicContact CG-CB 4.43Å; M136-E180 HydrophobicContact CG-CG 3.83Å; M136-E180 HydrophobicContact SD-CB 3.75Å; M136-E180 HydrophobicContact SD-CG 3.79Å; A176-E180 PolarHBondContact O-N 2.83Å; F177-E180 PolarHBondContact O-N 2.81Å; A178-E180 VanDerWaalsContact C-N 3.34Å; A178-E180 PolarHBondContact O-N 3.48Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 2.95Å; E180-K183 PolarHBondContact O-N 3.06Å; E180-K183 IonicContact OE2-NZ 2.83Å; E180-K183 PolarHBondContact OE2-NZ 2.91Å; E180-I184 HydrophobicContact CG-CD1 4.39Å; E180-I184 WeakPolarHBondContact O-CD1 3.34Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 3.48Å; E180-I184 VanDerWaalsContact O-N 3.16Å
181C96.3Very high93.9Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-59.3-39.3173.9-66.80000111.5L143 A152 F177 I184 C185 I192L143-C181 HydrophobicContact CD1-CB 4.29Å; A152-C181 HydrophobicContact CB-CB 4.03Å; F177-C181 WeakPolarHBondContact O-CB 3.38Å; F177-C181 PolarHBondContact O-N 3.09Å; F177-C181 PolarHBondContact O-SG 3.14Å; C181-I184 PolarHBondContact O-N 2.91Å; C181-C185 WeakPolarHBondContact O-CB 3.28Å; C181-C185 PolarHBondContact O-N 2.84Å; C181-C185 PolarHBondContact O-SG 3.4Å; C181-I192 HydrophobicContact CB-CD1 3.84Å; C181-I192 HydrophobicContact CB-CG1 3.92Å
182L96.3Very high93.8Very high13 Ų1344 Ų447%0.06823%0.229CC..Hα-helixtrans-62.7-42.7176.9179.861000112.4A178 E180 I184 C185 N186 I192 L215 L218A178-L182 VanDerWaalsContact O-CB 3.27Å; A178-L182 WeakPolarHBondContact O-CB 3.37Å; A178-L182 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 2.95Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 3.37Å; L182-C185 PolarHBondContact O-N 2.75Å; L182-N186 WeakPolarHBondContact O-CB 3.47Å; L182-N186 PolarHBondContact O-N 2.74Å; L182-N186 PolarHBondContact O-ND2 3.07Å; L182-I192 HydrophobicContact CB-CG2 4.19Å; L182-I192 HydrophobicContact CD1-CG2 3.63Å; L182-L215 HydrophobicContact CD2-CB 4Å; L182-L218 HydrophobicContact CD1-CD2 4.43Å; L182-L218 HydrophobicContact CD2-CD2 4.44Å
183K95.4Very high93.8Very high120 Ų12037.7 Ų37.752%0.52221%0.205SC..Hα-helixtrans-59.9-42.9174.8-66.7173.3-159.2158.90112A179 E180A179-K183 WeakPolarHBondContact O-CG 3.21Å; A179-K183 PolarHBondContact O-N 3.28Å; E180-K183 PolarHBondContact O-N 3.06Å; E180-K183 IonicContact OE2-NZ 2.83Å; E180-K183 PolarHBondContact OE2-NZ 2.91Å
184I94Very high93.9Very high4 Ų437.3 Ų37.32%0.02120%0.204CC..Hα-helixtrans-64.8-47.4179.1-64.4158.5000110.4K140 L143 E180 C181 L182 N186 Q187 N188K140-I184 HydrophobicContact CB-CD1 3.64Å; K140-I184 HydrophobicContact CB-CG1 4.49Å; K140-I184 HydrophobicContact CD-CD1 3.91Å; K140-I184 HydrophobicContact CD-CG1 4.07Å; K140-I184 HydrophobicContact CG-CD1 3.62Å; K140-I184 HydrophobicContact CG-CG1 3.94Å; K140-I184 HydrophobicContact CG-CG2 4.11Å; L143-I184 HydrophobicContact CB-CG2 4.17Å; L143-I184 HydrophobicContact CD1-CG2 4.46Å; E180-I184 HydrophobicContact CG-CD1 4.39Å; E180-I184 WeakPolarHBondContact O-CD1 3.34Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 3.48Å; E180-I184 VanDerWaalsContact O-N 3.16Å; C181-I184 PolarHBondContact O-N 2.91Å; L182-I184 VanDerWaalsContact C-N 3.32Å; L182-I184 PolarHBondContact O-N 3.37Å; I184-N186 PolarHBondContact O-N 3.34Å; I184-Q187 PolarHBondContact O-N 3.15Å; I184-N188 PolarHBondContact O-ND2 3.33Å
185C93.7Very high94Very high5 Ų537.3 Ų37.33%0.03420%0.204CC..Hα-helixtrans-70.9-29.6-176.8-74.60000113.1C181 L182 Q187 N188 C190 I192C181-C185 WeakPolarHBondContact O-CB 3.28Å; C181-C185 PolarHBondContact O-N 2.84Å; C181-C185 PolarHBondContact O-SG 3.4Å; L182-C185 PolarHBondContact O-N 2.75Å; C185-Q187 PolarHBondContact O-N 3.32Å; C185-Q187 VanDerWaalsContact O-N 3.16Å; C185-N188 CarbonylContact O-C 3.58Å; C185-N188 PolarHBondContact O-N 2.8Å; C185-C190 HydrophobicContact CB-CB 4.35Å; C185-C190 WeakPolarHBondContact CB-O 3.29Å; C185-C190 VanDerWaalsContact SG-SG 3.62Å; C185-I192 HydrophobicContact CB-CB 4.1Å; C185-I192 HydrophobicContact CB-CG2 4.38Å
186N89.5Confident94Very high113 Ų11336.1 Ų36.160%0.60420%0.197SC*.THydrogen-bonded Turntrans-63.6-17.9173.6-76.4-12.6000113.6L182 I184L182-N186 WeakPolarHBondContact O-CB 3.47Å; L182-N186 PolarHBondContact O-N 2.74Å; L182-N186 PolarHBondContact O-ND2 3.07Å; I184-N186 PolarHBondContact O-N 3.34Å
187Q87.5Confident94.1Very high156 Ų15633.3 Ų33.373%0.72918%0.175SC*.THydrogen-bonded Turntrans-93-2.6176.4-62.4174.5-9.100112.6I184 C185I184-Q187 PolarHBondContact O-N 3.15Å; C185-Q187 PolarHBondContact O-N 3.32Å; C185-Q187 VanDerWaalsContact O-N 3.16Å
188N81.7Confident94.1Very high61 Ų6132.7 Ų32.733%0.32617%0.172SC..THydrogen-bonded Turntrans-136.6171.7-172.2-66.5-65.8000111.4N144 I184 C185 C190N144-N188 PolarHBondContact OD1-ND2 3.37Å; I184-N188 PolarHBondContact O-ND2 3.33Å; C185-N188 CarbonylContact O-C 3.58Å; C185-N188 PolarHBondContact O-N 2.8Å; N188-C190 PolarHBondContact O-N 3.34Å; N188-C190 VanDerWaalsContact O-N 3.11Å
189V82.2Confident94.1Very high96 Ų9632.8 Ų32.858%0.58217%0.173SC*.THydrogen-bonded Turntrans-8958.2174-165.60000110A22A22-V189 VanDerWaalsContact O-CG1 3.28Å; A22-V189 WeakPolarHBondContact O-CG1 3.11Å
190C90.6Very high94.1Very high12 Ų1233.7 Ų33.78%0.08117%0.17CC..EExtended strand (participates in β ladder)trans-129.2121.4178.7-178.30000110.1G148 C185 N188G148-C190 WeakPolarHBondContact O-CA 3.37Å; C185-C190 HydrophobicContact CB-CB 4.35Å; C185-C190 WeakPolarHBondContact CB-O 3.29Å; C185-C190 VanDerWaalsContact SG-SG 3.62Å; N188-C190 PolarHBondContact O-N 3.34Å; N188-C190 VanDerWaalsContact O-N 3.11Å
191G94.5Very high94.2Very high6 Ų632.3 Ų32.36%0.06217%0.165CC..EExtended strand (participates in β ladder)trans-79.3130.7172.700000110.7G148 C149 A150G148-G191 PolarHBondContact O-N 2.77Å; C149-G191 CarbonylContact C-O 3.49Å; C149-G191 WeakPolarHBondContact CA-O 3.3Å; A150-G191 PolarHBondContact N-O 2.81Å
192I96.9Very high94.2Very high2 Ų235.4 Ų35.41%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-109.8139.7179.6-160.675.9000112.3A150 A152 C181 L182 C185 L218 Q219A150-I192 HydrophobicContact CB-CD1 4.21Å; A150-I192 CarbonylContact O-C 3.52Å; A150-I192 WeakPolarHBondContact O-CA 3.35Å; A150-I192 WeakPolarHBondContact O-CD1 3.21Å; A152-I192 HydrophobicContact CB-CD1 4.36Å; A152-I192 HydrophobicContact CB-CG1 4.16Å; C181-I192 HydrophobicContact CB-CD1 3.84Å; C181-I192 HydrophobicContact CB-CG1 3.92Å; L182-I192 HydrophobicContact CB-CG2 4.19Å; L182-I192 HydrophobicContact CD1-CG2 3.63Å; C185-I192 HydrophobicContact CB-CB 4.1Å; C185-I192 HydrophobicContact CB-CG2 4.38Å; I192-L218 HydrophobicContact CG2-CD2 3.72Å; I192-Q219 PolarHBondContact O-N 3.14Å
193F98.1Very high94.3Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-108.5137.2174.3-77.2-128.8000110.2M1 F103 C149 A150 A152 Q219 G220 V222 L256 L278M1-F193 HydrophobicContact CE-CE2 3.62Å; M1-F193 HydrophobicContact CE-CZ 3.75Å; M1-F193 HydrophobicContact SD-CZ 4.38Å; F103-F193 HydrophobicContact CD2-CE2 4.5Å; F103-F193 AromaticContact CE2-CD1 3.93Å; F103-F193 HydrophobicContact CE2-CD1 3.93Å; F103-F193 AromaticContact CE2-CD2 3.73Å; F103-F193 HydrophobicContact CE2-CD2 3.73Å; F103-F193 AromaticContact CE2-CE1 3.94Å; F103-F193 HydrophobicContact CE2-CE1 3.94Å; F103-F193 AromaticContact CE2-CE2 3.76Å; F103-F193 HydrophobicContact CE2-CE2 3.76Å; F103-F193 AromaticContact CE2-CG 3.84Å; F103-F193 HydrophobicContact CE2-CG 3.84Å; F103-F193 AromaticContact CE2-CZ 3.87Å; F103-F193 HydrophobicContact CE2-CZ 3.87Å; F103-F193 HydrophobicContact CZ-CB 4.44Å; F103-F193 HydrophobicContact CZ-CD1 4.14Å; F103-F193 HydrophobicContact CZ-CD2 4.35Å; F103-F193 HydrophobicContact CZ-CG 4.07Å; C149-F193 HydrophobicContact CB-CD2 4.39Å; C149-F193 HydrophobicContact CB-CE2 3.96Å; A150-F193 PolarHBondContact O-N 2.89Å; A152-F193 WeakPolarHBondContact CB-O 3.27Å; A152-F193 PolarHBondContact N-O 2.69Å; F193-Q219 HydrophobicContact CD2-CB 4.18Å; F193-Q219 HydrophobicContact CE2-CB 3.84Å; F193-G220 VanDerWaalsContact CA-O 3.27Å; F193-G220 WeakPolarHBondContact CA-O 3.46Å; F193-G220 VanDerWaalsContact CD1-CA 3.5Å; F193-V222 HydrophobicContact CB-CG2 3.82Å; F193-V222 HydrophobicContact CD1-CG2 4.12Å; F193-V222 HydrophobicContact CG-CG2 4.4Å; F193-L256 HydrophobicContact CE1-CB 3.86Å; F193-L256 HydrophobicContact CZ-CB 3.95Å; F193-L256 HydrophobicContact CZ-CD1 4.17Å; F193-L278 HydrophobicContact CE1-CD1 4.26Å; F193-L278 HydrophobicContact CZ-CD1 4.49Å
194G98.2Very high94.4Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-85.6145.9172.200000111.5G220 Y221 V222G194-G220 PolarHBondContact N-O 2.9Å; G194-Y221 CarbonylContact O-C 3.55Å; G194-Y221 VanDerWaalsContact O-CA 3.24Å; G194-Y221 WeakPolarHBondContact O-CA 3.18Å; G194-V222 PolarHBondContact O-N 3.42Å
195T98.4Very high94.6Very high3 Ų335.8 Ų35.82%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-102117.3-179.5-50.70000111.1Q151 C154 V197 V222 E224Q151-T195 WeakPolarHBondContact CG-OG1 3.43Å; Q151-T195 PolarHBondContact NE2-OG1 2.95Å; C154-T195 HydrophobicContact CB-CG2 3.96Å; T195-V197 HydrophobicContact CG2-CG1 3.78Å; T195-V197 PolarHBondContact O-N 2.71Å; T195-V222 CarbonylContact C-O 3.53Å; T195-V222 VanDerWaalsContact CA-O 3.3Å; T195-V222 WeakPolarHBondContact CA-O 3.32Å; T195-V222 HydrophobicContact CG2-CB 4.36Å; T195-E224 HydrophobicContact CG2-CB 3.86Å; T195-E224 HydrophobicContact CG2-CG 3.95Å
196V98.5Very high94.8Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-77.6106.5170.5-175.30000108.8R205 L212 V222 F223 E224 L251V196-R205 PolarHBondContact O-NH1 2.74Å; V196-L212 HydrophobicContact CG2-CD1 3.87Å; V196-V222 PolarHBondContact N-O 2.85Å; V196-F223 HydrophobicContact CB-CD1 4.11Å; V196-F223 HydrophobicContact CB-CE1 4.16Å; V196-F223 HydrophobicContact CG1-CD1 4.27Å; V196-F223 HydrophobicContact CG1-CE1 4.13Å; V196-F223 HydrophobicContact CG2-CE1 4.23Å; V196-F223 HydrophobicContact CG2-CZ 4.26Å; V196-E224 PolarHBondContact O-N 2.79Å; V196-E224 VanDerWaalsContact O-N 3.14Å; V196-L251 HydrophobicContact CG2-CD1 4.03Å
197V97.9Very high95.2Very high0 Ų036.2 Ų36.20%019%0.187CC..  trans-111.5-176.8175.5-60.70000110.4S170 V171 T195S170-V197 WeakPolarHBondContact OG-CB 3.39Å; S170-V197 VanDerWaalsContact OG-CG2 3.29Å; S170-V197 WeakPolarHBondContact OG-CG2 3.29Å; V171-V197 HydrophobicContact CB-CG2 4.4Å; V171-V197 HydrophobicContact CG2-CG2 3.97Å; T195-V197 HydrophobicContact CG2-CG1 3.78Å; T195-V197 PolarHBondContact O-N 2.71Å
198G97.3Very high95.8Very high0 Ų028.8 Ų28.80%015%0.152CC..  trans126.19.3-177.900000114.3N158 Y200 D201N158-G198 PolarHBondContact OD1-N 2.65Å; N158-G198 VanDerWaalsContact OD1-N 3.11Å; G198-Y200 PolarHBondContact O-N 2.79Å; G198-D201 PolarHBondContact O-N 3.03Å
199G96.5Very high96.6Very high2 Ų225.9 Ų25.92%0.02114%0.137CC..THydrogen-bonded Turntrans63.5-133.8175.900000113.1N158 R205 G225N158-G199 PolarHBondContact OD1-N 3Å; N158-G199 VanDerWaalsContact OD1-N 3.15Å; G199-R205 VanDerWaalsContact O-CZ 3.24Å; G199-R205 PolarHBondContact O-NE 3.34Å; G199-R205 PolarHBondContact O-NH2 2.97Å; G199-G225 WeakPolarHBondContact CA-O 3.5Å
200Y96.9Very high97.3Very high49 Ų4926.5 Ų26.519%0.19213%0.133CC..THydrogen-bonded Turntrans-101.715.5175.3-70.6-93.1000112.6A160 G198 F226 L235 P236 H239 V240 L243A160-Y200 HydrophobicContact CB-CE2 4.5Å; G198-Y200 PolarHBondContact O-N 2.79Å; Y200-F226 HydrophobicContact CE1-CD1 4.18Å; Y200-F226 WeakPolarHBondContact CE2-O 3.25Å; Y200-F226 PolarHBondContact OH-O 3.12Å; Y200-L235 WeakPolarHBondContact OH-CD1 3.27Å; Y200-P236 HydrophobicContact CE1-CG 3.75Å; Y200-P236 WeakPolarHBondContact OH-CD 3.49Å; Y200-H239 AromaticContact CD1-CE1 3.68Å; Y200-H239 AromaticContact CD1-ND1 3.46Å; Y200-H239 WeakPolarHBondContact CD1-ND1 3.39Å; Y200-V240 HydrophobicContact CE1-CG2 3.82Å; Y200-L243 HydrophobicContact CD1-CD1 3.84Å; Y200-L243 HydrophobicContact CG-CD1 4.39Å
201D97.4Very high97.7Very high37 Ų3731.3 Ų31.320%0.19815%0.153CC..  trans-94.7115.8176-174.8-76000110.1L167 G198 N203 Q204 R205L167-D201 HydrophobicContact CD1-CB 3.56Å; G198-D201 PolarHBondContact O-N 3.03Å; D201-N203 VanDerWaalsContact C-N 3.34Å; D201-N203 PolarHBondContact O-N 3.41Å; D201-N203 WeakPolarHBondContact OD1-CA 3.39Å; D201-N203 WeakPolarHBondContact OD1-CB 3.4Å; D201-N203 PolarHBondContact OD1-N 3.04Å; D201-Q204 HydrophobicContact CB-CB 4.13Å; D201-Q204 HydrophobicContact CB-CG 4.03Å; D201-Q204 PolarHBondContact O-N 3.32Å; D201-Q204 WeakPolarHBondContact OD1-CG 3.29Å; D201-Q204 PolarHBondContact OD1-N 3.25Å; D201-R205 WeakPolarHBondContact O-CG 3.45Å; D201-R205 PolarHBondContact O-N 2.75Å; D201-R205 VanDerWaalsContact O-N 3.15Å
202L97.2Very high97.9Very high65 Ų6531 Ų3134%0.3415%0.15SC..Hα-helixtrans-62.9-39.9-178.3178.459.1000112Q204 R205 I206 L243L202-Q204 PolarHBondContact O-N 3.45Å; L202-R205 PolarHBondContact O-N 3.26Å; L202-I206 HydrophobicContact CD1-CD1 3.92Å; L202-I206 HydrophobicContact CD1-CG1 3.98Å; L202-I206 HydrophobicContact CD2-CD1 4.39Å; L202-I206 HydrophobicContact CG-CD1 3.78Å; L202-I206 HydrophobicContact CG-CG1 4.26Å; L202-I206 WeakPolarHBondContact O-CB 3.48Å; L202-I206 VanDerWaalsContact O-CG1 3.29Å; L202-I206 WeakPolarHBondContact O-CG1 3.45Å; L202-I206 PolarHBondContact O-N 3.26Å; L202-L243 HydrophobicContact CB-CD2 3.85Å; L202-L243 HydrophobicContact CD1-CD2 4.02Å; L202-L243 HydrophobicContact CG-CD2 4.49Å
203N97.9Very high97.8Very high117 Ų11734.4 Ų34.463%0.62617%0.168SC*.Hα-helixtrans-65.7-42.3-177.6-63-45.7000111.3D201 R205 I206 H207D201-N203 VanDerWaalsContact C-N 3.34Å; D201-N203 PolarHBondContact O-N 3.41Å; D201-N203 WeakPolarHBondContact OD1-CA 3.39Å; D201-N203 WeakPolarHBondContact OD1-CB 3.4Å; D201-N203 PolarHBondContact OD1-N 3.04Å; N203-R205 VanDerWaalsContact C-N 3.33Å; N203-R205 PolarHBondContact O-N 3.21Å; N203-I206 PolarHBondContact O-N 3.06Å; N203-H207 WeakPolarHBondContact O-CB 3.5Å; N203-H207 PolarHBondContact O-N 3.28Å
204Q98.1Very high97.8Very high27 Ų2737.2 Ų37.213%0.12620%0.197CC..Hα-helixtrans-64.3-39.1176.1-66.4-62.9-36.700111.5L167 V171 D201 L202 C208L167-Q204 HydrophobicContact CB-CB 4.39Å; L167-Q204 HydrophobicContact CB-CG 3.86Å; L167-Q204 HydrophobicContact CD1-CG 4.39Å; V171-Q204 HydrophobicContact CG2-CB 4.3Å; D201-Q204 HydrophobicContact CB-CB 4.13Å; D201-Q204 HydrophobicContact CB-CG 4.03Å; D201-Q204 PolarHBondContact O-N 3.32Å; D201-Q204 WeakPolarHBondContact OD1-CG 3.29Å; D201-Q204 PolarHBondContact OD1-N 3.25Å; L202-Q204 PolarHBondContact O-N 3.45Å; Q204-C208 WeakPolarHBondContact O-CB 3.34Å; Q204-C208 PolarHBondContact O-N 2.8Å
205R98.2Very high97.7Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-67.5-43.9175.5-76.2-166.8172.5-77.4-10.8113V196 G199 D201 L202 N203 H207 C208 C209 E224 F226V196-R205 PolarHBondContact O-NH1 2.74Å; G199-R205 VanDerWaalsContact O-CZ 3.24Å; G199-R205 PolarHBondContact O-NE 3.34Å; G199-R205 PolarHBondContact O-NH2 2.97Å; D201-R205 WeakPolarHBondContact O-CG 3.45Å; D201-R205 PolarHBondContact O-N 2.75Å; D201-R205 VanDerWaalsContact O-N 3.15Å; L202-R205 PolarHBondContact O-N 3.26Å; N203-R205 VanDerWaalsContact C-N 3.33Å; N203-R205 PolarHBondContact O-N 3.21Å; R205-H207 VanDerWaalsContact C-N 3.34Å; R205-C208 WeakPolarHBondContact O-CB 3.25Å; R205-C208 PolarHBondContact O-N 3.32Å; R205-C209 PolarHBondContact O-N 2.91Å; R205-C209 PolarHBondContact O-SG 3.4Å; R205-E224 PolarHBondContact NH1-O 3.16Å; R205-E224 PolarHBondContact NH2-O 2.95Å; R205-F226 VanDerWaalsContact NE-CZ 3.33Å
206I98.2Very high97.4Very high48 Ų4845 Ų4525%0.24624%0.242CC..Hα-helixtrans-57.1-50.5173.7-73174.7000109.5L202 N203 C208 C209 E210 L250L202-I206 HydrophobicContact CD1-CD1 3.92Å; L202-I206 HydrophobicContact CD1-CG1 3.98Å; L202-I206 HydrophobicContact CD2-CD1 4.39Å; L202-I206 HydrophobicContact CG-CD1 3.78Å; L202-I206 HydrophobicContact CG-CG1 4.26Å; L202-I206 WeakPolarHBondContact O-CB 3.48Å; L202-I206 VanDerWaalsContact O-CG1 3.29Å; L202-I206 WeakPolarHBondContact O-CG1 3.45Å; L202-I206 PolarHBondContact O-N 3.26Å; N203-I206 PolarHBondContact O-N 3.06Å; I206-C208 VanDerWaalsContact C-N 3.28Å; I206-C208 PolarHBondContact O-N 3.4Å; I206-C209 WeakPolarHBondContact O-CB 3.39Å; I206-C209 PolarHBondContact O-N 3.05Å; I206-E210 HydrophobicContact CG2-CG 4.46Å; I206-E210 WeakPolarHBondContact O-CG 3.43Å; I206-E210 PolarHBondContact O-N 3.31Å; I206-L250 HydrophobicContact CB-CD1 4.04Å; I206-L250 HydrophobicContact CG1-CD1 3.82Å; I206-L250 HydrophobicContact CG2-CD1 3.75Å
207H98.2Very high97.2Very high79 Ų7946.3 Ų46.337%0.36626%0.256SS..Hα-helixtrans-57.3-42177.8-17660.7000112.5N203 R205 K211N203-H207 WeakPolarHBondContact O-CB 3.5Å; N203-H207 PolarHBondContact O-N 3.28Å; R205-H207 VanDerWaalsContact C-N 3.34Å; H207-K211 VanDerWaalsContact O-CG 3.31Å; H207-K211 WeakPolarHBondContact O-CG 3.31Å; H207-K211 PolarHBondContact O-N 3.03Å
208C98.6Very high97.1Very high0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-62.7-44.8175.6-167.80000111.7V171 Q204 R205 I206 K211 L212V171-C208 HydrophobicContact CG1-CB 3.82Å; V171-C208 HydrophobicContact CG2-CB 4.17Å; Q204-C208 WeakPolarHBondContact O-CB 3.34Å; Q204-C208 PolarHBondContact O-N 2.8Å; R205-C208 WeakPolarHBondContact O-CB 3.25Å; R205-C208 PolarHBondContact O-N 3.32Å; I206-C208 VanDerWaalsContact C-N 3.28Å; I206-C208 PolarHBondContact O-N 3.4Å; C208-K211 PolarHBondContact O-N 2.91Å; C208-L212 WeakPolarHBondContact O-CB 3.23Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 3.1Å
209C98.5Very high97Very high0 Ų048.4 Ų48.40%027%0.266CS..Hα-helixtrans-61.3-48.6179-66.70000112.2R205 I206 K211 L212 N213 C247 L250 L251R205-C209 PolarHBondContact O-N 2.91Å; R205-C209 PolarHBondContact O-SG 3.4Å; I206-C209 WeakPolarHBondContact O-CB 3.39Å; I206-C209 PolarHBondContact O-N 3.05Å; C209-K211 VanDerWaalsContact C-N 3.3Å; C209-K211 PolarHBondContact O-N 3.3Å; C209-L212 PolarHBondContact O-N 3.3Å; C209-N213 WeakPolarHBondContact O-CB 3.23Å; C209-N213 PolarHBondContact O-N 3.17Å; C209-C247 VanDerWaalsContact SG-CB 3.54Å; C209-C247 VanDerWaalsContact SG-SG 3.69Å; C209-L250 HydrophobicContact CB-CB 4.19Å; C209-L250 HydrophobicContact CB-CD1 4.27Å; C209-L251 HydrophobicContact CB-CD2 3.91Å; C209-L251 HydrophobicContact CB-CG 4.17Å
210E97.9Very high97.1Very high109 Ų10948.3 Ų48.351%0.50927%0.265SS..Hα-helixtrans-56.9-44.6178.7-69.8175.7159.500111.7I206 N213 G214I206-E210 HydrophobicContact CG2-CG 4.46Å; I206-E210 WeakPolarHBondContact O-CG 3.43Å; I206-E210 PolarHBondContact O-N 3.31Å; E210-N213 PolarHBondContact O-N 3.17Å; E210-G214 PolarHBondContact O-N 2.96Å
211K98.4Very high97.1Very high113 Ų11346.3 Ų46.349%0.49126%0.257SS..Hα-helixtrans-71.1-38.7-179.6-66.4-66.4179.6-170.50112.6L175 H207 C208 C209 G214L175-K211 HydrophobicContact CD1-CB 3.47Å; L175-K211 VanDerWaalsContact CD1-CB 3.47Å; L175-K211 HydrophobicContact CD1-CG 3.76Å; L175-K211 HydrophobicContact CD2-CB 3.5Å; L175-K211 HydrophobicContact CG-CB 4.12Å; H207-K211 VanDerWaalsContact O-CG 3.31Å; H207-K211 WeakPolarHBondContact O-CG 3.31Å; H207-K211 PolarHBondContact O-N 3.03Å; C208-K211 PolarHBondContact O-N 2.91Å; C209-K211 VanDerWaalsContact C-N 3.3Å; C209-K211 PolarHBondContact O-N 3.3Å; K211-G214 PolarHBondContact O-N 3.49Å
212L98.3Very high97.2Very high1 Ų144.5 Ų44.51%0.00525%0.248CC..Hα-helixtrans-67.2-36.8174.3-73.9175.1000112.1L175 A178 V196 C208 C209 G214 L215 L218 Y221L175-L212 HydrophobicContact CD2-CD2 3.73Å; L175-L212 HydrophobicContact CD2-CG 3.67Å; A178-L212 HydrophobicContact CB-CD2 3.89Å; V196-L212 HydrophobicContact CG2-CD1 3.87Å; C208-L212 WeakPolarHBondContact O-CB 3.23Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 3.1Å; C209-L212 PolarHBondContact O-N 3.3Å; L212-G214 PolarHBondContact O-N 3.07Å; L212-L215 HydrophobicContact CD2-CD1 4.23Å; L212-L215 WeakPolarHBondContact O-CB 3.36Å; L212-L215 PolarHBondContact O-N 2.79Å; L212-L218 HydrophobicContact CB-CD1 4.33Å; L212-L218 HydrophobicContact CD2-CD1 4.1Å; L212-Y221 HydrophobicContact CB-CD1 4.43Å; L212-Y221 HydrophobicContact CB-CE1 4Å; L212-Y221 HydrophobicContact CD1-CD1 4.33Å
213N96.1Very high97.2Very high73 Ų7341.4 Ų41.439%0.3923%0.232SC..Hα-helixtrans-62.7-32.9176.2-166.822.7000111.7C209 E210 L215 P252C209-N213 WeakPolarHBondContact O-CB 3.23Å; C209-N213 PolarHBondContact O-N 3.17Å; E210-N213 PolarHBondContact O-N 3.17Å; N213-L215 PolarHBondContact O-N 2.74Å; N213-P252 WeakPolarHBondContact OD1-CD 3.33Å
214G96.6Very high97.2Very high58 Ų5835.9 Ų35.960%0.59820%0.202SC*.THydrogen-bonded Turntrans-66.6-15.2172.100000115.2E210 K211 L212 T216E210-G214 PolarHBondContact O-N 2.96Å; K211-G214 PolarHBondContact O-N 3.49Å; L212-G214 PolarHBondContact O-N 3.07Å; G214-T216 PolarHBondContact O-N 2.94Å
215L96.6Very high97.1Very high41 Ų4134.7 Ų34.722%0.21520%0.197CC..SBendtrans-8880.6176.7-60.2-178.8000110.5A178 A179 L182 L212 N213 G217 L218A178-L215 HydrophobicContact CB-CD1 3.9Å; A179-L215 HydrophobicContact CB-CD1 4.3Å; A179-L215 HydrophobicContact CB-CD2 4.16Å; L182-L215 HydrophobicContact CD2-CB 4Å; L212-L215 HydrophobicContact CD2-CD1 4.23Å; L212-L215 WeakPolarHBondContact O-CB 3.36Å; L212-L215 PolarHBondContact O-N 2.79Å; N213-L215 PolarHBondContact O-N 2.74Å; L215-G217 PolarHBondContact O-N 2.82Å; L215-L218 HydrophobicContact CB-CD1 4.09Å; L215-L218 HydrophobicContact CB-CG 4.19Å; L215-L218 WeakPolarHBondContact O-CG 3.47Å; L215-L218 PolarHBondContact O-N 3.48Å
216T92.5Very high97Very high125 Ų12535.1 Ų35.177%0.76720%0.199SC*.THydrogen-bonded Turntrans-60.2123179.358.90000111.1G214G214-T216 PolarHBondContact O-N 2.94Å
217G93.4Very high96.8Very high28 Ų2834.1 Ų34.129%0.28919%0.193SC..THydrogen-bonded Turntrans120.1-9.9178.500000114.6L215 Q219L215-G217 PolarHBondContact O-N 2.82Å; G217-Q219 PolarHBondContact O-N 2.92Å; G217-Q219 PolarHBondContact O-NE2 3.27Å
218L96.4Very high96.5Very high2 Ų232.6 Ų32.61%0.0119%0.191CC..  trans-58.2136166.1-62.3-179.2000110.1L182 I192 L212 L215 Y221 R255L182-L218 HydrophobicContact CD1-CD2 4.43Å; L182-L218 HydrophobicContact CD2-CD2 4.44Å; I192-L218 HydrophobicContact CG2-CD2 3.72Å; L212-L218 HydrophobicContact CB-CD1 4.33Å; L212-L218 HydrophobicContact CD2-CD1 4.1Å; L215-L218 HydrophobicContact CB-CD1 4.09Å; L215-L218 HydrophobicContact CB-CG 4.19Å; L215-L218 WeakPolarHBondContact O-CG 3.47Å; L215-L218 PolarHBondContact O-N 3.48Å; L218-Y221 HydrophobicContact CD1-CE1 3.9Å; L218-R255 VanDerWaalsContact O-CD 3.28Å; L218-R255 WeakPolarHBondContact O-CD 3.24Å; L218-R255 PolarHBondContact O-NE 3.24Å
219Q95.8Very high96.3Very high43 Ų4332.9 Ų32.920%0.20119%0.193CC..  trans-88.5-15.9-179.3-54.2-61.2-67.700112.3M1 I192 F193 G217M1-Q219 VanDerWaalsContact CA-OE1 3.31Å; M1-Q219 HydrophobicContact CB-CB 4.24Å; M1-Q219 HydrophobicContact CB-CG 4.31Å; M1-Q219 HydrophobicContact CE-CB 4.19Å; M1-Q219 HydrophobicContact SD-CB 4.19Å; I192-Q219 PolarHBondContact O-N 3.14Å; F193-Q219 HydrophobicContact CD2-CB 4.18Å; F193-Q219 HydrophobicContact CE2-CB 3.84Å; G217-Q219 PolarHBondContact O-N 2.92Å; G217-Q219 PolarHBondContact O-NE2 3.27Å
220G97.3Very high96Very high0 Ų033.1 Ų33.10%020%0.195CC..EExtended strand (participates in β ladder)trans178.8-175.6-179.100000112.5F193 G194 L256F193-G220 VanDerWaalsContact CA-O 3.27Å; F193-G220 WeakPolarHBondContact CA-O 3.46Å; F193-G220 VanDerWaalsContact CD1-CA 3.5Å; G194-G220 PolarHBondContact N-O 2.9Å; G220-L256 CarbonylContact C-O 3.49Å; G220-L256 WeakPolarHBondContact CA-O 3.35Å
221Y98.3Very high95.8Very high6 Ų632.7 Ų32.72%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-128.6138-176.8-55.3-77.4000111.1G194 L212 L218 L251 P252 R255 L256 R257 Y258G194-Y221 CarbonylContact O-C 3.55Å; G194-Y221 VanDerWaalsContact O-CA 3.24Å; G194-Y221 WeakPolarHBondContact O-CA 3.18Å; L212-Y221 HydrophobicContact CB-CD1 4.43Å; L212-Y221 HydrophobicContact CB-CE1 4Å; L212-Y221 HydrophobicContact CD1-CD1 4.33Å; L218-Y221 HydrophobicContact CD1-CE1 3.9Å; Y221-L251 HydrophobicContact CD1-CD1 4.29Å; Y221-L251 HydrophobicContact CD1-CD2 4.11Å; Y221-L251 HydrophobicContact CD2-CB 4.24Å; Y221-L251 HydrophobicContact CD2-CD1 3.93Å; Y221-L251 HydrophobicContact CD2-CD2 4.32Å; Y221-L251 HydrophobicContact CD2-CG 4.4Å; Y221-L251 HydrophobicContact CE1-CD2 3.8Å; Y221-L251 HydrophobicContact CE2-CB 4.05Å; Y221-L251 HydrophobicContact CE2-CD1 4.39Å; Y221-L251 HydrophobicContact CE2-CD2 4.01Å; Y221-L251 HydrophobicContact CE2-CG 4.38Å; Y221-L251 HydrophobicContact CG-CD1 3.87Å; Y221-L251 HydrophobicContact CG-CD2 4.36Å; Y221-P252 HydrophobicContact CE2-CG 3.86Å; Y221-P252 WeakPolarHBondContact OH-CD 3.38Å; Y221-P252 WeakPolarHBondContact OH-CG 3.35Å; Y221-R255 HydrophobicContact CD2-CB 4.12Å; Y221-R255 HydrophobicContact CE2-CB 3.71Å; Y221-R255 HydrophobicContact CE2-CG 4.09Å; Y221-L256 PolarHBondContact N-O 3Å; Y221-R257 CarbonylContact O-C 3.47Å; Y221-R257 WeakPolarHBondContact O-CA 3.16Å; Y221-Y258 PolarHBondContact O-N 3.06Å
222V98.5Very high95.6Very high0 Ų027.5 Ų27.50%017%0.174CC..EExtended strand (participates in β ladder)trans-106.7132.5172-168.80000109F103 Q151 F193 G194 T195 V196 E224 Y258 P260F103-V222 HydrophobicContact CZ-CG2 4.2Å; Q151-V222 HydrophobicContact CB-CG2 4.27Å; Q151-V222 HydrophobicContact CG-CB 4.26Å; Q151-V222 HydrophobicContact CG-CG2 3.77Å; F193-V222 HydrophobicContact CB-CG2 3.82Å; F193-V222 HydrophobicContact CD1-CG2 4.12Å; F193-V222 HydrophobicContact CG-CG2 4.4Å; G194-V222 PolarHBondContact O-N 3.42Å; T195-V222 CarbonylContact C-O 3.53Å; T195-V222 VanDerWaalsContact CA-O 3.3Å; T195-V222 WeakPolarHBondContact CA-O 3.32Å; T195-V222 HydrophobicContact CG2-CB 4.36Å; V196-V222 PolarHBondContact N-O 2.85Å; V222-E224 HydrophobicContact CG1-CG 3.97Å; V222-Y258 CarbonylContact C-O 3.45Å; V222-Y258 VanDerWaalsContact CA-O 3.28Å; V222-Y258 WeakPolarHBondContact CA-O 3.48Å; V222-Y258 HydrophobicContact CG1-CD1 3.75Å; V222-Y258 HydrophobicContact CG1-CE1 4.38Å; V222-Y258 HydrophobicContact CG1-CG 4.4Å; V222-Y258 HydrophobicContact CG2-CD1 4.07Å; V222-P260 HydrophobicContact CG1-CG 3.9Å
223F98.1Very high95.3Very high0 Ų030.4 Ų30.40%019%0.194CC..EExtended strand (participates in β ladder)trans-100108.8178.8-76.9-95.6000110.1V196 F226 V244 C247 L248 L251 R257 Y258 I259 P260 I276V196-F223 HydrophobicContact CB-CD1 4.11Å; V196-F223 HydrophobicContact CB-CE1 4.16Å; V196-F223 HydrophobicContact CG1-CD1 4.27Å; V196-F223 HydrophobicContact CG1-CE1 4.13Å; V196-F223 HydrophobicContact CG2-CE1 4.23Å; V196-F223 HydrophobicContact CG2-CZ 4.26Å; F223-F226 HydrophobicContact CB-CE2 4.21Å; F223-V244 HydrophobicContact CD1-CG2 3.95Å; F223-V244 HydrophobicContact CE1-CG1 4.43Å; F223-V244 HydrophobicContact CE1-CG2 4.41Å; F223-V244 HydrophobicContact CG-CG2 4.45Å; F223-C247 HydrophobicContact CE1-CB 3.58Å; F223-C247 HydrophobicContact CZ-CB 4.07Å; F223-L248 HydrophobicContact CE2-CD2 3.83Å; F223-L248 HydrophobicContact CZ-CD2 3.59Å; F223-L248 HydrophobicContact CZ-CG 4.05Å; F223-L251 HydrophobicContact CE2-CD1 4.48Å; F223-L251 HydrophobicContact CZ-CD1 3.89Å; F223-R257 HydrophobicContact CE2-CB 4.23Å; F223-R257 HydrophobicContact CE2-CG 4.31Å; F223-Y258 PolarHBondContact N-O 3.1Å; F223-I259 HydrophobicContact CB-CB 4.33Å; F223-I259 HydrophobicContact CB-CD1 4.46Å; F223-I259 HydrophobicContact CB-CG1 4.13Å; F223-P260 WeakPolarHBondContact O-CD 3.24Å; F223-I276 HydrophobicContact CD2-CD1 3.96Å; F223-I276 HydrophobicContact CE2-CD1 4.27Å
224E97.3Very high95.2Very high1 Ų134.2 Ų34.21%0.00522%0.215CC..  trans-129.5176.5179-66.7-163-174.700112.3N107 Q151 S156 T195 V196 R205 V222 F229 P260N107-E224 PolarHBondContact ND2-OE2 3.35Å; Q151-E224 VanDerWaalsContact NE2-CD 3.27Å; Q151-E224 PolarHBondContact NE2-OE1 3.09Å; Q151-E224 PolarHBondContact OE1-OE1 3.44Å; S156-E224 WeakPolarHBondContact CB-OE2 3.19Å; S156-E224 PolarHBondContact OG-OE2 3.22Å; T195-E224 HydrophobicContact CG2-CB 3.86Å; T195-E224 HydrophobicContact CG2-CG 3.95Å; V196-E224 PolarHBondContact O-N 2.79Å; V196-E224 VanDerWaalsContact O-N 3.14Å; R205-E224 PolarHBondContact NH1-O 3.16Å; R205-E224 PolarHBondContact NH2-O 2.95Å; V222-E224 HydrophobicContact CG1-CG 3.97Å; E224-F229 HydrophobicContact CG-CZ 4.39Å; E224-P260 HydrophobicContact CG-CG 3.59Å; E224-P260 WeakPolarHBondContact OE1-CG 3.41Å
225G95.7Very high95.1Very high2 Ų232.3 Ų32.32%0.02119%0.191CC..SBendtrans87.715.4179.300000114.5S156 G199S156-G225 WeakPolarHBondContact O-CA 3.32Å; G199-G225 WeakPolarHBondContact CA-O 3.5Å
226F95.5Very high95.1Very high9 Ų933.4 Ų33.44%0.03920%0.2CC..SBendtrans-96.7-23.6174.4-60.3-66.6000113.5Y200 R205 F223 L235 V240 L243 V244 I259Y200-F226 HydrophobicContact CE1-CD1 4.18Å; Y200-F226 WeakPolarHBondContact CE2-O 3.25Å; Y200-F226 PolarHBondContact OH-O 3.12Å; R205-F226 VanDerWaalsContact NE-CZ 3.33Å; F223-F226 HydrophobicContact CB-CE2 4.21Å; F226-L235 HydrophobicContact CB-CD1 4.01Å; F226-L235 WeakPolarHBondContact O-CD1 3.33Å; F226-V240 HydrophobicContact CB-CG2 4.07Å; F226-V240 HydrophobicContact CD1-CB 4.43Å; F226-V240 HydrophobicContact CD1-CG1 4.13Å; F226-V240 HydrophobicContact CD1-CG2 3.83Å; F226-V240 HydrophobicContact CD2-CG1 3.86Å; F226-V240 HydrophobicContact CE1-CG1 4.15Å; F226-V240 HydrophobicContact CE1-CG2 4.36Å; F226-V240 HydrophobicContact CE2-CG1 3.9Å; F226-V240 HydrophobicContact CG-CG1 3.96Å; F226-V240 HydrophobicContact CG-CG2 4.01Å; F226-V240 HydrophobicContact CZ-CG1 4.03Å; F226-L243 HydrophobicContact CE1-CB 4.16Å; F226-L243 HydrophobicContact CE1-CD1 3.86Å; F226-L243 HydrophobicContact CZ-CB 4.38Å; F226-V244 HydrophobicContact CE2-CG2 3.91Å; F226-V244 HydrophobicContact CZ-CG2 3.88Å; F226-I259 HydrophobicContact CD2-CD1 4.35Å; F226-I259 HydrophobicContact CE2-CD1 4.44Å
227H94.3Very high95.3Very high26 Ų2628.4 Ų28.412%0.1217%0.168CC..  trans-151.3171.6-177.254.261.6000111.4F229 V232 L235 P260 F263H227-F229 AromaticContact CE1-CD1 3.59Å; H227-F229 AromaticContact CE1-CE1 3.74Å; H227-F229 AromaticContact ND1-CD1 3.86Å; H227-F229 PolarHBondContact ND1-N 3.11Å; H227-V232 HydrophobicContact CB-CG1 4.05Å; H227-L235 HydrophobicContact CB-CD1 4.07Å; H227-P260 PolarHBondContact CE1-O 3.06Å; H227-P260 PolarHBondContact NE2-O 3.39Å; H227-F263 AromaticContact NE2-CZ 3.77Å
228S93.2Very high95.4Very high48 Ų4833.1 Ų33.134%0.33619%0.187SC..  trans-99.120.7177.3-55.70000114S112 M113S112-S228 CarbonylContact C-O 3.5Å; S112-S228 VanDerWaalsContact CA-O 3.29Å; S112-S228 WeakPolarHBondContact CA-O 3.5Å; M113-S228 PolarHBondContact N-O 2.99Å
229F94Very high95.5Very high6 Ų637.2 Ų37.23%0.02621%0.206CC..SBendtrans62.3179.8-179.5-51.6-81.8000113.6N107 V111 S112 M113 E224 H227 D231 P260N107-F229 HydrophobicContact CB-CD1 4.36Å; N107-F229 HydrophobicContact CB-CD2 3.9Å; N107-F229 HydrophobicContact CB-CE1 3.86Å; N107-F229 HydrophobicContact CB-CE2 3.38Å; N107-F229 HydrophobicContact CB-CG 4.37Å; N107-F229 HydrophobicContact CB-CZ 3.35Å; N107-F229 WeakPolarHBondContact ND2-CE2 3.08Å; N107-F229 WeakPolarHBondContact ND2-CZ 3.37Å; V111-F229 WeakPolarHBondContact O-CB 3.49Å; S112-F229 PolarHBondContact OG-O 3.46Å; M113-F229 HydrophobicContact CB-CD2 4.05Å; M113-F229 HydrophobicContact SD-CE2 4.42Å; E224-F229 HydrophobicContact CG-CZ 4.39Å; H227-F229 AromaticContact CE1-CD1 3.59Å; H227-F229 AromaticContact CE1-CE1 3.74Å; H227-F229 AromaticContact ND1-CD1 3.86Å; H227-F229 PolarHBondContact ND1-N 3.11Å; F229-D231 PolarHBondContact O-N 3.26Å; F229-P260 HydrophobicContact CE1-CB 4.02Å; F229-P260 HydrophobicContact CE1-CG 3.96Å
230G92.5Very high95.5Very high4 Ų435.2 Ų35.24%0.04120%0.197CC..SBendtrans72.3-121.1-168.500000109.7P109 V232 A262P109-G230 PolarHBondContact O-N 3.36Å; G230-V232 PolarHBondContact O-N 2.8Å; G230-A262 VanDerWaalsContact O-CB 3.26Å; G230-A262 WeakPolarHBondContact O-CB 3.35Å
231D92.3Very high95.5Very high100 Ų10036.2 Ų36.254%0.53520%0.203SC..  trans-77.2117.5178.1-167.3-17.3000111.8F229 S233F229-D231 PolarHBondContact O-N 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.31Å; D231-S233 PolarHBondContact OD1-N 3.49Å; D231-S233 PolarHBondContact OD1-OG 3.45Å
232V95.3Very high95.5Very high4 Ų438.9 Ų38.92%0.02422%0.222CC..  trans-11417.5178.8-580000112.7H227 G230 N234 L235 A262 F263 Q267H227-V232 HydrophobicContact CB-CG1 4.05Å; G230-V232 PolarHBondContact O-N 2.8Å; V232-N234 VanDerWaalsContact C-N 3.25Å; V232-N234 PolarHBondContact O-N 3.29Å; V232-L235 VanDerWaalsContact O-CB 3.26Å; V232-L235 WeakPolarHBondContact O-CB 3.5Å; V232-L235 PolarHBondContact O-N 3.05Å; V232-A262 VanDerWaalsContact CG2-C 3.47Å; V232-A262 HydrophobicContact CG2-CB 4.48Å; V232-A262 WeakPolarHBondContact CG2-O 3.39Å; V232-F263 HydrophobicContact CG2-CD1 3.93Å; V232-F263 HydrophobicContact CG2-CE1 4.12Å; V232-Q267 PolarHBondContact O-NE2 3.4Å
233S92.5Very high95.4Very high62 Ų6239.2 Ų39.243%0.43422%0.224SC..THydrogen-bonded Turntrans-58.2-35179.153.70000113.4D231 L235D231-S233 WeakPolarHBondContact OD1-CB 3.31Å; D231-S233 PolarHBondContact OD1-N 3.49Å; D231-S233 PolarHBondContact OD1-OG 3.45Å; S233-L235 VanDerWaalsContact C-N 3.29Å; S233-L235 PolarHBondContact O-N 3.05Å
234N92.4Very high95.4Very high154 Ų15439.2 Ų39.282%0.82422%0.224SC*.THydrogen-bonded Turntrans-8710.5-179-64.8-45.3000114.1V232V232-N234 VanDerWaalsContact C-N 3.25Å; V232-N234 PolarHBondContact O-N 3.29Å
235L95Very high95.3Very high18 Ų1843.4 Ų43.49%0.09424%0.243CC..  trans-63.4128.8178.4-171.873.8000110.2Y200 F226 H227 V232 S233 L237 V240 F263Y200-L235 WeakPolarHBondContact OH-CD1 3.27Å; F226-L235 HydrophobicContact CB-CD1 4.01Å; F226-L235 WeakPolarHBondContact O-CD1 3.33Å; H227-L235 HydrophobicContact CB-CD1 4.07Å; V232-L235 VanDerWaalsContact O-CB 3.26Å; V232-L235 WeakPolarHBondContact O-CB 3.5Å; V232-L235 PolarHBondContact O-N 3.05Å; S233-L235 VanDerWaalsContact C-N 3.29Å; S233-L235 PolarHBondContact O-N 3.05Å; L235-L237 HydrophobicContact CD2-CD1 4.3Å; L235-L237 PolarHBondContact O-N 2.85Å; L235-V240 HydrophobicContact CD1-CG2 3.92Å; L235-V240 HydrophobicContact CD2-CB 4.49Å; L235-V240 HydrophobicContact CD2-CG1 4.48Å; L235-V240 HydrophobicContact CD2-CG2 4.01Å; L235-V240 HydrophobicContact CG-CG2 3.85Å; L235-F263 HydrophobicContact CD2-CE1 3.77Å
236P96.1Very high95.4Very high64 Ų6444.9 Ų44.942%0.41625%0.254SS..  trans-72.174.7173.931.1-36.1000110.4Y200 N238 H239 V240Y200-P236 HydrophobicContact CE1-CG 3.75Å; Y200-P236 WeakPolarHBondContact OH-CD 3.49Å; P236-N238 VanDerWaalsContact C-N 3.34Å; P236-N238 PolarHBondContact O-N 2.97Å; P236-H239 HydrophobicContact CB-CB 4.44Å; P236-H239 WeakPolarHBondContact O-CB 3.36Å; P236-H239 PolarHBondContact O-N 3.02Å; P236-V240 PolarHBondContact O-N 3.2Å; P236-V240 VanDerWaalsContact O-N 3.14Å
237L96.4Very high95.5Very high19 Ų1944.5 Ų44.510%0.09925%0.252CS..Hα-helixtrans-56.8-42.1-164.9-173.969.2000113.3L235 H239 V240 V241 Q267 Q270 L271L235-L237 HydrophobicContact CD2-CD1 4.3Å; L235-L237 PolarHBondContact O-N 2.85Å; L237-H239 VanDerWaalsContact C-N 3.27Å; L237-H239 PolarHBondContact O-N 3.31Å; L237-V240 PolarHBondContact O-N 3.42Å; L237-V240 VanDerWaalsContact O-N 3.13Å; L237-V241 HydrophobicContact CD1-CG2 4.44Å; L237-V241 HydrophobicContact CG-CG2 4.29Å; L237-V241 WeakPolarHBondContact O-CB 3.37Å; L237-V241 WeakPolarHBondContact O-CG2 3.38Å; L237-V241 PolarHBondContact O-N 3.34Å; L237-Q267 HydrophobicContact CD1-CG 4.41Å; L237-Q267 HydrophobicContact CD2-CB 4.31Å; L237-Q267 HydrophobicContact CD2-CG 3.92Å; L237-Q270 HydrophobicContact CD2-CB 3.98Å; L237-Q270 VanDerWaalsContact CD2-CD 3.4Å; L237-Q270 HydrophobicContact CD2-CG 4.25Å; L237-Q270 VanDerWaalsContact CD2-OE1 3.25Å; L237-L271 HydrophobicContact CD1-CD1 4.26Å; L237-L271 HydrophobicContact CD1-CD2 4.27Å; L237-L271 HydrophobicContact CD1-CG 4.09Å
238N97.1Very high95.5Very high127 Ų12743.7 Ų43.768%0.67925%0.249SC*.Hα-helixtrans-58.8-39.4178.5-68.2-13.9000112.3P236 S242P236-N238 VanDerWaalsContact C-N 3.34Å; P236-N238 PolarHBondContact O-N 2.97Å; N238-S242 PolarHBondContact O-N 3.45Å; N238-S242 VanDerWaalsContact O-N 3.11Å
239H96.9Very high95.6Very high89 Ų8949.3 Ų49.341%0.41227%0.269SS..Hα-helixtrans-70.5-41.9177.3-170.7-169.3000110.9Y200 P236 L237 V241 S242 L243Y200-H239 AromaticContact CD1-CE1 3.68Å; Y200-H239 AromaticContact CD1-ND1 3.46Å; Y200-H239 WeakPolarHBondContact CD1-ND1 3.39Å; P236-H239 HydrophobicContact CB-CB 4.44Å; P236-H239 WeakPolarHBondContact O-CB 3.36Å; P236-H239 PolarHBondContact O-N 3.02Å; L237-H239 VanDerWaalsContact C-N 3.27Å; L237-H239 PolarHBondContact O-N 3.31Å; H239-V241 PolarHBondContact O-N 3.15Å; H239-S242 PolarHBondContact O-N 3.18Å; H239-L243 WeakPolarHBondContact O-CG 3.48Å; H239-L243 PolarHBondContact O-N 2.86Å
240V97.3Very high95.7Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-59.9-46.3174.9174.80000111.2Y200 F226 L235 P236 L237 S242 L243 V244 I259Y200-V240 HydrophobicContact CE1-CG2 3.82Å; F226-V240 HydrophobicContact CB-CG2 4.07Å; F226-V240 HydrophobicContact CD1-CB 4.43Å; F226-V240 HydrophobicContact CD1-CG1 4.13Å; F226-V240 HydrophobicContact CD1-CG2 3.83Å; F226-V240 HydrophobicContact CD2-CG1 3.86Å; F226-V240 HydrophobicContact CE1-CG1 4.15Å; F226-V240 HydrophobicContact CE1-CG2 4.36Å; F226-V240 HydrophobicContact CE2-CG1 3.9Å; F226-V240 HydrophobicContact CG-CG1 3.96Å; F226-V240 HydrophobicContact CG-CG2 4.01Å; F226-V240 HydrophobicContact CZ-CG1 4.03Å; L235-V240 HydrophobicContact CD1-CG2 3.92Å; L235-V240 HydrophobicContact CD2-CB 4.49Å; L235-V240 HydrophobicContact CD2-CG1 4.48Å; L235-V240 HydrophobicContact CD2-CG2 4.01Å; L235-V240 HydrophobicContact CG-CG2 3.85Å; P236-V240 PolarHBondContact O-N 3.2Å; P236-V240 VanDerWaalsContact O-N 3.14Å; L237-V240 PolarHBondContact O-N 3.42Å; L237-V240 VanDerWaalsContact O-N 3.13Å; V240-S242 PolarHBondContact O-N 3.02Å; V240-L243 PolarHBondContact O-N 3.29Å; V240-V244 HydrophobicContact CG1-CG2 4.15Å; V240-V244 WeakPolarHBondContact O-CB 3.21Å; V240-V244 VanDerWaalsContact O-CG2 3.26Å; V240-V244 WeakPolarHBondContact O-CG2 3.37Å; V240-V244 PolarHBondContact O-N 3.04Å; V240-I259 HydrophobicContact CG1-CD1 4.26Å
241V97.1Very high95.9Very high22 Ų2252.2 Ų52.213%0.13328%0.284CS..Hα-helixtrans-58.3-47.5177.9164.80000110.9L237 H239 L243 V244 Q245 L271 A274L237-V241 HydrophobicContact CD1-CG2 4.44Å; L237-V241 HydrophobicContact CG-CG2 4.29Å; L237-V241 WeakPolarHBondContact O-CB 3.37Å; L237-V241 WeakPolarHBondContact O-CG2 3.38Å; L237-V241 PolarHBondContact O-N 3.34Å; H239-V241 PolarHBondContact O-N 3.15Å; V241-L243 PolarHBondContact O-N 3.24Å; V241-V244 PolarHBondContact O-N 3.38Å; V241-Q245 HydrophobicContact CG1-CG 4.39Å; V241-Q245 WeakPolarHBondContact O-CB 3.47Å; V241-Q245 WeakPolarHBondContact O-CG 3.36Å; V241-Q245 PolarHBondContact O-N 3.43Å; V241-L271 HydrophobicContact CG2-CD2 4.2Å; V241-A274 HydrophobicContact CG1-CB 3.84Å; V241-A274 HydrophobicContact CG2-CB 4.34Å
242S97.4Very high96Very high61 Ų6149 Ų4943%0.42727%0.269SS..Hα-helixtrans-60.7-43.5178.3175.60000112.6N238 H239 V240 S246N238-S242 PolarHBondContact O-N 3.45Å; N238-S242 VanDerWaalsContact O-N 3.11Å; H239-S242 PolarHBondContact O-N 3.18Å; V240-S242 PolarHBondContact O-N 3.02Å; S242-S246 PolarHBondContact O-N 2.79Å; S242-S246 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-OG 3.15Å
243L97.6Very high95.9Very high7 Ų752.8 Ų52.84%0.03729%0.292CS..Hα-helixtrans-65-43.9175.8-70.3172.3000111.8Y200 L202 F226 H239 V240 V241 S246 C247Y200-L243 HydrophobicContact CD1-CD1 3.84Å; Y200-L243 HydrophobicContact CG-CD1 4.39Å; L202-L243 HydrophobicContact CB-CD2 3.85Å; L202-L243 HydrophobicContact CD1-CD2 4.02Å; L202-L243 HydrophobicContact CG-CD2 4.49Å; F226-L243 HydrophobicContact CE1-CB 4.16Å; F226-L243 HydrophobicContact CE1-CD1 3.86Å; F226-L243 HydrophobicContact CZ-CB 4.38Å; H239-L243 WeakPolarHBondContact O-CG 3.48Å; H239-L243 PolarHBondContact O-N 2.86Å; V240-L243 PolarHBondContact O-N 3.29Å; V241-L243 PolarHBondContact O-N 3.24Å; L243-S246 PolarHBondContact O-N 2.9Å; L243-C247 PolarHBondContact O-N 3.46Å; L243-C247 PolarHBondContact O-SG 3.49Å
244V97.1Very high96Very high0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-61-48.4177.6166.10000110.5F223 F226 V240 V241 S246 C247 L248 I276F223-V244 HydrophobicContact CD1-CG2 3.95Å; F223-V244 HydrophobicContact CE1-CG1 4.43Å; F223-V244 HydrophobicContact CE1-CG2 4.41Å; F223-V244 HydrophobicContact CG-CG2 4.45Å; F226-V244 HydrophobicContact CE2-CG2 3.91Å; F226-V244 HydrophobicContact CZ-CG2 3.88Å; V240-V244 HydrophobicContact CG1-CG2 4.15Å; V240-V244 WeakPolarHBondContact O-CB 3.21Å; V240-V244 VanDerWaalsContact O-CG2 3.26Å; V240-V244 WeakPolarHBondContact O-CG2 3.37Å; V240-V244 PolarHBondContact O-N 3.04Å; V241-V244 PolarHBondContact O-N 3.38Å; V244-S246 VanDerWaalsContact C-N 3.33Å; V244-S246 PolarHBondContact O-N 2.75Å; V244-C247 WeakPolarHBondContact O-CB 3.44Å; V244-C247 PolarHBondContact O-N 3.11Å; V244-C247 VanDerWaalsContact O-N 3.16Å; V244-L248 HydrophobicContact CG1-CD1 3.61Å; V244-L248 HydrophobicContact CG1-CG 4.08Å; V244-L248 WeakPolarHBondContact O-CB 3.26Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L248 PolarHBondContact O-N 3.04Å; V244-I276 HydrophobicContact CG1-CD1 3.77Å; V244-I276 HydrophobicContact CG1-CG1 4.19Å
245Q96.1Very high96.1Very high89 Ų8949.4 Ų49.442%0.41626%0.263SS..Hα-helixtrans-57.4-46.7178.3-74.8175.3-44.800111.6V241 C247 L248 E249 A274V241-Q245 HydrophobicContact CG1-CG 4.39Å; V241-Q245 WeakPolarHBondContact O-CB 3.47Å; V241-Q245 WeakPolarHBondContact O-CG 3.36Å; V241-Q245 PolarHBondContact O-N 3.43Å; Q245-C247 VanDerWaalsContact C-N 3.3Å; Q245-C247 PolarHBondContact O-N 3.05Å; Q245-L248 PolarHBondContact O-N 2.76Å; Q245-E249 PolarHBondContact O-N 3.02Å; Q245-A274 HydrophobicContact CG-CB 4.11Å
246S97.2Very high96.2Very high34 Ų3448.6 Ų48.624%0.23826%0.259CS..Hα-helixtrans-59.2-39.9177.4-53.80000112.4S242 L243 V244S242-S246 PolarHBondContact O-N 2.79Å; S242-S246 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-OG 3.15Å; L243-S246 PolarHBondContact O-N 2.9Å; V244-S246 VanDerWaalsContact C-N 3.33Å; V244-S246 PolarHBondContact O-N 2.75Å
247C97.7Very high96.3Very high0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-67.3-39.3174-68.80000112.8C209 F223 L243 V244 Q245 E249 L250 L251C209-C247 VanDerWaalsContact SG-CB 3.54Å; C209-C247 VanDerWaalsContact SG-SG 3.69Å; F223-C247 HydrophobicContact CE1-CB 3.58Å; F223-C247 HydrophobicContact CZ-CB 4.07Å; L243-C247 PolarHBondContact O-N 3.46Å; L243-C247 PolarHBondContact O-SG 3.49Å; V244-C247 WeakPolarHBondContact O-CB 3.44Å; V244-C247 PolarHBondContact O-N 3.11Å; V244-C247 VanDerWaalsContact O-N 3.16Å; Q245-C247 VanDerWaalsContact C-N 3.3Å; Q245-C247 PolarHBondContact O-N 3.05Å; C247-E249 VanDerWaalsContact C-N 3.26Å; C247-E249 PolarHBondContact O-N 2.52Å; C247-L250 PolarHBondContact O-N 3.09Å; C247-L250 VanDerWaalsContact O-N 3.09Å; C247-L251 WeakPolarHBondContact O-CG 3.37Å; C247-L251 PolarHBondContact O-N 3Å
248L95.1Very high96.3Very high10 Ų1044.6 Ų44.65%0.05223%0.234CC..Hα-helixtrans-69.1-23.4-175.7-71.9177.5000113.2F223 V244 Q245 L250 R257 A274F223-L248 HydrophobicContact CE2-CD2 3.83Å; F223-L248 HydrophobicContact CZ-CD2 3.59Å; F223-L248 HydrophobicContact CZ-CG 4.05Å; V244-L248 HydrophobicContact CG1-CD1 3.61Å; V244-L248 HydrophobicContact CG1-CG 4.08Å; V244-L248 WeakPolarHBondContact O-CB 3.26Å; V244-L248 WeakPolarHBondContact O-CG 3.5Å; V244-L248 PolarHBondContact O-N 3.04Å; Q245-L248 PolarHBondContact O-N 2.76Å; L248-L250 PolarHBondContact O-N 2.87Å; L248-R257 HydrophobicContact CD2-CB 4.41Å; L248-R257 HydrophobicContact CD2-CG 3.55Å; L248-A274 WeakPolarHBondContact CD1-O 3.3Å
249E94.4Very high96.4Very high165 Ų16538.6 Ų38.677%0.77120%0.202SC*.THydrogen-bonded Turntrans-65.9-25.1170.9-69.9174.7-17200112.8Q245 C247Q245-E249 PolarHBondContact O-N 3.02Å; C247-E249 VanDerWaalsContact C-N 3.26Å; C247-E249 PolarHBondContact O-N 2.52Å
250L96.1Very high96.4Very high65 Ų6534.3 Ų34.334%0.3418%0.182SC..THydrogen-bonded Turntrans-95.3-14.9-177.9-58.8175.1000113.6I206 C209 C247 L248I206-L250 HydrophobicContact CB-CD1 4.04Å; I206-L250 HydrophobicContact CG1-CD1 3.82Å; I206-L250 HydrophobicContact CG2-CD1 3.75Å; C209-L250 HydrophobicContact CB-CB 4.19Å; C209-L250 HydrophobicContact CB-CD1 4.27Å; C247-L250 PolarHBondContact O-N 3.09Å; C247-L250 VanDerWaalsContact O-N 3.09Å; L248-L250 PolarHBondContact O-N 2.87Å
251L96.1Very high96.3Very high7 Ų734.3 Ų34.34%0.03718%0.182CC..SBendtrans-101.5145.3-174.6-66.4174.4000110.8V196 C209 Y221 F223 C247V196-L251 HydrophobicContact CG2-CD1 4.03Å; C209-L251 HydrophobicContact CB-CD2 3.91Å; C209-L251 HydrophobicContact CB-CG 4.17Å; Y221-L251 HydrophobicContact CD1-CD1 4.29Å; Y221-L251 HydrophobicContact CD1-CD2 4.11Å; Y221-L251 HydrophobicContact CD2-CB 4.24Å; Y221-L251 HydrophobicContact CD2-CD1 3.93Å; Y221-L251 HydrophobicContact CD2-CD2 4.32Å; Y221-L251 HydrophobicContact CD2-CG 4.4Å; Y221-L251 HydrophobicContact CE1-CD2 3.8Å; Y221-L251 HydrophobicContact CE2-CB 4.05Å; Y221-L251 HydrophobicContact CE2-CD1 4.39Å; Y221-L251 HydrophobicContact CE2-CD2 4.01Å; Y221-L251 HydrophobicContact CE2-CG 4.38Å; Y221-L251 HydrophobicContact CG-CD1 3.87Å; Y221-L251 HydrophobicContact CG-CD2 4.36Å; F223-L251 HydrophobicContact CE2-CD1 4.48Å; F223-L251 HydrophobicContact CZ-CD1 3.89Å; C247-L251 WeakPolarHBondContact O-CG 3.37Å; C247-L251 PolarHBondContact O-N 3Å
252P94.7Very high96.3Very high33 Ų3333.4 Ų33.421%0.21418%0.177CC..  trans-60.7140.5-175.924.4-34.7000112.3N213 Y221 D254 R255 R257N213-P252 WeakPolarHBondContact OD1-CD 3.33Å; Y221-P252 HydrophobicContact CE2-CG 3.86Å; Y221-P252 WeakPolarHBondContact OH-CD 3.38Å; Y221-P252 WeakPolarHBondContact OH-CG 3.35Å; P252-D254 VanDerWaalsContact C-N 3.3Å; P252-D254 WeakPolarHBondContact CB-OD1 3.31Å; P252-D254 PolarHBondContact O-N 2.57Å; P252-R255 HydrophobicContact CB-CG 4.25Å; P252-R255 HydrophobicContact CG-CB 4.25Å; P252-R255 HydrophobicContact CG-CG 3.66Å; P252-R257 PolarHBondContact O-NH2 3.21Å
253T93.9Very high96.4Very high83 Ų8330.6 Ų30.651%0.50916%0.157SC..THydrogen-bonded Turntrans-73.1-24.5-172.5500000113.4R255 R257T253-R255 VanDerWaalsContact C-N 3.28Å; T253-R255 PolarHBondContact O-N 2.84Å; T253-R257 VanDerWaalsContact C-NH2 3.32Å; T253-R257 PolarHBondContact O-NH2 2.86Å
254D93.7Very high96.4Very high69 Ų6931.6 Ų31.637%0.36916%0.163SC..THydrogen-bonded Turntrans-89.221.5-178.473.2-29.7000113.3P252P252-D254 VanDerWaalsContact C-N 3.3Å; P252-D254 WeakPolarHBondContact CB-OD1 3.31Å; P252-D254 PolarHBondContact O-N 2.57Å
255R95.3Very high96.4Very high76 Ų7631.6 Ų31.629%0.28716%0.163SC..SBendtrans-122.6142.2175.3-66-62.1178.4-87.2-12.5111L218 Y221 P252 T253 R257L218-R255 VanDerWaalsContact O-CD 3.28Å; L218-R255 WeakPolarHBondContact O-CD 3.24Å; L218-R255 PolarHBondContact O-NE 3.24Å; Y221-R255 HydrophobicContact CD2-CB 4.12Å; Y221-R255 HydrophobicContact CE2-CB 3.71Å; Y221-R255 HydrophobicContact CE2-CG 4.09Å; P252-R255 HydrophobicContact CB-CG 4.25Å; P252-R255 HydrophobicContact CG-CB 4.25Å; P252-R255 HydrophobicContact CG-CG 3.66Å; T253-R255 VanDerWaalsContact C-N 3.28Å; T253-R255 PolarHBondContact O-N 2.84Å; R255-R257 VanDerWaalsContact O-CZ 3.24Å; R255-R257 PolarHBondContact O-NH1 3.27Å
256L96.9Very high96.4Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-71.2147.9179.5-73177.9000111.6M1 F3 I18 W21 T30 F193 G220 Y221 D277 L278M1-L256 HydrophobicContact CE-CD1 3.88Å; M1-L256 HydrophobicContact SD-CD1 3.35Å; M1-L256 WeakPolarHBondContact SD-CD1 3.39Å; M1-L256 HydrophobicContact SD-CG 4.03Å; F3-L256 HydrophobicContact CB-CD2 4.42Å; F3-L256 HydrophobicContact CB-CG 4.23Å; F3-L256 HydrophobicContact CD1-CD2 4.15Å; F3-L256 HydrophobicContact CD1-CG 4.44Å; F3-L256 HydrophobicContact CD2-CD2 3.44Å; F3-L256 VanDerWaalsContact CD2-CD2 3.44Å; F3-L256 HydrophobicContact CD2-CG 4.17Å; F3-L256 HydrophobicContact CE1-CD2 4.27Å; F3-L256 HydrophobicContact CE2-CD2 3.56Å; F3-L256 HydrophobicContact CG-CD2 3.74Å; F3-L256 HydrophobicContact CG-CG 4.03Å; F3-L256 HydrophobicContact CZ-CD2 3.99Å; I18-L256 HydrophobicContact CD1-CD1 3.57Å; I18-L256 HydrophobicContact CD1-CD2 4.09Å; I18-L256 HydrophobicContact CD1-CG 4.46Å; I18-L256 HydrophobicContact CG1-CD1 4.07Å; I18-L256 HydrophobicContact CG1-CD2 4.2Å; W21-L256 HydrophobicContact CZ3-CD1 3.88Å; T30-L256 HydrophobicContact CG2-CD2 3.79Å; F193-L256 HydrophobicContact CE1-CB 3.86Å; F193-L256 HydrophobicContact CZ-CB 3.95Å; F193-L256 HydrophobicContact CZ-CD1 4.17Å; G220-L256 CarbonylContact C-O 3.49Å; G220-L256 WeakPolarHBondContact CA-O 3.35Å; Y221-L256 PolarHBondContact N-O 3Å; L256-D277 HydrophobicContact CD2-CB 3.92Å; L256-L278 HydrophobicContact CB-CD1 4.31Å; L256-L278 HydrophobicContact CD1-CD1 4.15Å
257R97.4Very high96.4Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-122.5126.9176.7-56.5136.2-166.7120.9-4.1110.5Y221 F223 L248 P252 T253 R255 G275 I276 D277 L278Y221-R257 CarbonylContact O-C 3.47Å; Y221-R257 WeakPolarHBondContact O-CA 3.16Å; F223-R257 HydrophobicContact CE2-CB 4.23Å; F223-R257 HydrophobicContact CE2-CG 4.31Å; L248-R257 HydrophobicContact CD2-CB 4.41Å; L248-R257 HydrophobicContact CD2-CG 3.55Å; P252-R257 PolarHBondContact O-NH2 3.21Å; T253-R257 VanDerWaalsContact C-NH2 3.32Å; T253-R257 PolarHBondContact O-NH2 2.86Å; R255-R257 VanDerWaalsContact O-CZ 3.24Å; R255-R257 PolarHBondContact O-NH1 3.27Å; R257-G275 WeakPolarHBondContact CD-O 3.19Å; R257-I276 HydrophobicContact CB-CD1 4.04Å; R257-D277 WeakPolarHBondContact CD-OD2 3.42Å; R257-D277 IonicContact CZ-OD2 2.75Å; R257-D277 PolarHBondContact N-OD2 3.32Å; R257-D277 IonicContact NE-OD2 3.5Å; R257-D277 IonicContact NH1-OD1 2.83Å; R257-D277 IonicContact NH1-OD2 3.73Å; R257-D277 PolarHBondContact NH1-OD2 3.41Å; R257-D277 PolarHBondContact O-N 3.02Å; R257-L278 PolarHBondContact O-N 2.55Å
258Y98.1Very high96.3Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-118.2136.4177.1177-141.4000110L34 L66 F103 Y221 V222 F223 P260 L278 D280L34-Y258 HydrophobicContact CD1-CD2 4.19Å; L34-Y258 HydrophobicContact CD1-CE1 4.49Å; L34-Y258 HydrophobicContact CD1-CE2 3.99Å; L66-Y258 HydrophobicContact CD1-CE1 4.45Å; L66-Y258 WeakPolarHBondContact CD2-OH 3.27Å; F103-Y258 HydrophobicContact CD1-CE1 4.48Å; F103-Y258 AromaticContact CE1-CD1 3.81Å; F103-Y258 HydrophobicContact CE1-CD1 3.81Å; F103-Y258 AromaticContact CE1-CE1 3.94Å; F103-Y258 HydrophobicContact CE1-CE1 3.94Å; F103-Y258 HydrophobicContact CZ-CD1 4.03Å; Y221-Y258 PolarHBondContact O-N 3.06Å; V222-Y258 CarbonylContact C-O 3.45Å; V222-Y258 VanDerWaalsContact CA-O 3.28Å; V222-Y258 WeakPolarHBondContact CA-O 3.48Å; V222-Y258 HydrophobicContact CG1-CD1 3.75Å; V222-Y258 HydrophobicContact CG1-CE1 4.38Å; V222-Y258 HydrophobicContact CG1-CG 4.4Å; V222-Y258 HydrophobicContact CG2-CD1 4.07Å; F223-Y258 PolarHBondContact N-O 3.1Å; Y258-P260 HydrophobicContact CE1-CB 3.71Å; Y258-P260 HydrophobicContact CE1-CG 4.21Å; Y258-P260 HydrophobicContact CE2-CB 4.25Å; Y258-P260 VanDerWaalsContact CZ-CA 3.42Å; Y258-P260 VanDerWaalsContact CZ-CB 3.5Å; Y258-P260 VanDerWaalsContact OH-CA 3.32Å; Y258-P260 WeakPolarHBondContact OH-CA 3.43Å; Y258-P260 VanDerWaalsContact OH-CB 3.27Å; Y258-P260 WeakPolarHBondContact OH-CB 3.37Å; Y258-L278 HydrophobicContact CD2-CB 3.82Å; Y258-L278 WeakPolarHBondContact CD2-O 3.37Å; Y258-L278 HydrophobicContact CG-CB 4.21Å; Y258-D280 HydrophobicContact CE2-CB 4.47Å; Y258-D280 PolarHBondContact OH-OD2 3.14Å
259I97.7Very high96.3Very high0 Ų027.4 Ų27.40%014%0.142CC..  trans-120.1108.9164.7-165.7171.4000108.3F223 F226 V240 F263 L271 I276 F279F223-I259 HydrophobicContact CB-CB 4.33Å; F223-I259 HydrophobicContact CB-CD1 4.46Å; F223-I259 HydrophobicContact CB-CG1 4.13Å; F226-I259 HydrophobicContact CD2-CD1 4.35Å; F226-I259 HydrophobicContact CE2-CD1 4.44Å; V240-I259 HydrophobicContact CG1-CD1 4.26Å; I259-F263 HydrophobicContact CB-CE2 4.33Å; I259-F263 HydrophobicContact CD1-CE2 4.44Å; I259-F263 HydrophobicContact CD1-CZ 4Å; I259-F263 HydrophobicContact CG1-CE2 4Å; I259-F263 HydrophobicContact CG1-CZ 3.94Å; I259-F263 HydrophobicContact CG2-CD2 4.34Å; I259-F263 HydrophobicContact CG2-CE2 3.71Å; I259-F263 HydrophobicContact CG2-CZ 4.29Å; I259-F263 WeakPolarHBondContact O-CE2 3.33Å; I259-L271 HydrophobicContact CD1-CD1 4.31Å; I259-L271 HydrophobicContact CD1-CD2 3.9Å; I259-L271 HydrophobicContact CG2-CD1 3.91Å; I259-I276 HydrophobicContact CB-CD1 4.36Å; I259-I276 HydrophobicContact CB-CG1 4.45Å; I259-I276 HydrophobicContact CB-CG2 4.31Å; I259-I276 HydrophobicContact CG2-CB 4.43Å; I259-I276 HydrophobicContact CG2-CG1 4.14Å; I259-I276 HydrophobicContact CG2-CG2 3.72Å; I259-F279 HydrophobicContact CG2-CD1 4.32Å; I259-F279 HydrophobicContact CG2-CE1 4.11Å
260P97.1Very high96.3Very high0 Ų022.3 Ų22.30%012%0.119CC..  trans-74137.6177.427.2-32.3000110.4P109 V222 F223 E224 H227 F229 Y258P109-P260 HydrophobicContact CG-CB 4.15Å; V222-P260 HydrophobicContact CG1-CG 3.9Å; F223-P260 WeakPolarHBondContact O-CD 3.24Å; E224-P260 HydrophobicContact CG-CG 3.59Å; E224-P260 WeakPolarHBondContact OE1-CG 3.41Å; H227-P260 PolarHBondContact CE1-O 3.06Å; H227-P260 PolarHBondContact NE2-O 3.39Å; F229-P260 HydrophobicContact CE1-CB 4.02Å; F229-P260 HydrophobicContact CE1-CG 3.96Å; Y258-P260 HydrophobicContact CE1-CB 3.71Å; Y258-P260 HydrophobicContact CE1-CG 4.21Å; Y258-P260 HydrophobicContact CE2-CB 4.25Å; Y258-P260 VanDerWaalsContact CZ-CA 3.42Å; Y258-P260 VanDerWaalsContact CZ-CB 3.5Å; Y258-P260 VanDerWaalsContact OH-CA 3.32Å; Y258-P260 WeakPolarHBondContact OH-CA 3.43Å; Y258-P260 VanDerWaalsContact OH-CB 3.27Å; Y258-P260 WeakPolarHBondContact OH-CB 3.37Å
261G96.1Very high96.3Very high0 Ų019.2 Ų19.20%010%0.102CC..SBendtrans160.8151.2174.500000111.8F263 D280G261-F263 WeakPolarHBondContact O-CD2 3.42Å; G261-F263 PolarHBondContact O-N 2.88Å; G261-D280 PolarHBondContact N-OD2 2.8Å
262A97.5Very high96.2Very high3 Ų319.1 Ų19.13%0.02510%0.102CC..  trans-73.763.6175.200000111.5G230 V232 S282 F283 L286G230-A262 VanDerWaalsContact O-CB 3.26Å; G230-A262 WeakPolarHBondContact O-CB 3.35Å; V232-A262 VanDerWaalsContact CG2-C 3.47Å; V232-A262 HydrophobicContact CG2-CB 4.48Å; V232-A262 WeakPolarHBondContact CG2-O 3.39Å; A262-S282 WeakPolarHBondContact CA-OG 3.21Å; A262-S282 WeakPolarHBondContact CB-OG 3.3Å; A262-S282 PolarHBondContact N-OG 2.87Å; A262-F283 HydrophobicContact CB-CB 4.11Å; A262-F283 HydrophobicContact CB-CD2 4.46Å; A262-F283 WeakPolarHBondContact O-CD2 3.24Å; A262-L286 HydrophobicContact CB-CD1 3.58Å
263F97.9Very high96.1Very high2 Ų222.3 Ų22.31%0.00911%0.113CC..  trans-74.2133.7-178.7-62.4-64.9000111.1H227 V232 L235 I259 G261 Q267 I268 L271 F283 Y363H227-F263 AromaticContact NE2-CZ 3.77Å; V232-F263 HydrophobicContact CG2-CD1 3.93Å; V232-F263 HydrophobicContact CG2-CE1 4.12Å; L235-F263 HydrophobicContact CD2-CE1 3.77Å; I259-F263 HydrophobicContact CB-CE2 4.33Å; I259-F263 HydrophobicContact CD1-CE2 4.44Å; I259-F263 HydrophobicContact CD1-CZ 4Å; I259-F263 HydrophobicContact CG1-CE2 4Å; I259-F263 HydrophobicContact CG1-CZ 3.94Å; I259-F263 HydrophobicContact CG2-CD2 4.34Å; I259-F263 HydrophobicContact CG2-CE2 3.71Å; I259-F263 HydrophobicContact CG2-CZ 4.29Å; I259-F263 WeakPolarHBondContact O-CE2 3.33Å; G261-F263 WeakPolarHBondContact O-CD2 3.42Å; G261-F263 PolarHBondContact O-N 2.88Å; F263-Q267 HydrophobicContact CB-CB 3.98Å; F263-Q267 HydrophobicContact CD1-CB 4.04Å; F263-Q267 HydrophobicContact CG-CB 4.42Å; F263-I268 HydrophobicContact CB-CD1 4.31Å; F263-I268 HydrophobicContact CB-CG1 3.72Å; F263-L271 HydrophobicContact CD1-CD1 3.85Å; F263-L271 HydrophobicContact CD2-CD1 4.1Å; F263-L271 HydrophobicContact CE1-CD1 3.84Å; F263-L271 HydrophobicContact CE2-CD1 4.11Å; F263-L271 HydrophobicContact CG-CD1 3.99Å; F263-L271 HydrophobicContact CZ-CD1 3.98Å; F263-F283 WeakPolarHBondContact O-CB 3.4Å; F263-Y363 PolarHBondContact O-OH 3.02Å
264N97.6Very high96.1Very high28 Ų2818.8 Ų18.815%0.159%0.092CC..  trans-73.1168.6171.275.237.2000111.3S266 Q267 I268 F283 F306 Y363N264-S266 PolarHBondContact O-N 3.4Å; N264-S266 PolarHBondContact OD1-N 3.28Å; N264-S266 VanDerWaalsContact OD1-N 3.13Å; N264-Q267 PolarHBondContact ND2-OE1 3.46Å; N264-Q267 PolarHBondContact O-N 2.93Å; N264-Q267 WeakPolarHBondContact OD1-CG 3.47Å; N264-Q267 PolarHBondContact OD1-N 3.07Å; N264-I268 WeakPolarHBondContact O-CG1 3.34Å; N264-I268 PolarHBondContact O-N 2.75Å; N264-F283 HydrophobicContact CB-CD1 4.38Å; N264-F283 HydrophobicContact CB-CD2 4.31Å; N264-F283 HydrophobicContact CB-CE1 3.92Å; N264-F283 HydrophobicContact CB-CE2 3.87Å; N264-F283 HydrophobicContact CB-CZ 3.65Å; N264-F306 HydrophobicContact CB-CE1 3.97Å; N264-F306 HydrophobicContact CB-CE2 4.16Å; N264-F306 HydrophobicContact CB-CZ 3.49Å; N264-F306 VanDerWaalsContact CB-CZ 3.49Å; N264-Y363 WeakPolarHBondContact CA-OH 3.41Å
265P97.3Very high96.1Very high0 Ų015.8 Ų15.80%08%0.077CC..Hα-helixtrans-54.5-43.7-177.7-31.238.4000115.3I268 V269 I294 L296 F300 F306 Y363 M366P265-I268 PolarHBondContact O-N 3.14Å; P265-V269 WeakPolarHBondContact O-CG2 3.17Å; P265-V269 PolarHBondContact O-N 2.77Å; P265-V269 VanDerWaalsContact O-N 3.12Å; P265-I294 HydrophobicContact CG-CG2 4.27Å; P265-L296 HydrophobicContact CB-CD2 3.58Å; P265-L296 HydrophobicContact CG-CD2 3.51Å; P265-F300 HydrophobicContact CB-CE2 3.86Å; P265-F300 HydrophobicContact CB-CZ 4.28Å; P265-F306 HydrophobicContact CB-CB 4.18Å; P265-F306 HydrophobicContact CB-CD1 3.82Å; P265-F306 HydrophobicContact CB-CE1 4.46Å; P265-F306 HydrophobicContact CB-CG 4Å; P265-F306 HydrophobicContact CG-CB 4.02Å; P265-F306 HydrophobicContact CG-CD1 3.95Å; P265-F306 HydrophobicContact CG-CD2 4.03Å; P265-F306 HydrophobicContact CG-CE1 4.49Å; P265-F306 HydrophobicContact CG-CG 3.72Å; P265-Y363 WeakPolarHBondContact CD-OH 3.11Å; P265-Y363 HydrophobicContact CG-CE2 4.19Å; P265-M366 HydrophobicContact CB-SD 3.66Å; P265-M366 HydrophobicContact CG-SD 4.09Å
266S95.9Very high96.2Very high25 Ų2512.1 Ų12.118%0.1756%0.063CC..Hα-helixtrans-67.3-41.3179.2175.90000111.9N264 I268 V269 Q270 D304N264-S266 PolarHBondContact O-N 3.4Å; N264-S266 PolarHBondContact OD1-N 3.28Å; N264-S266 VanDerWaalsContact OD1-N 3.13Å; S266-I268 VanDerWaalsContact C-N 3.3Å; S266-I268 PolarHBondContact O-N 3.18Å; S266-V269 PolarHBondContact O-N 3.32Å; S266-Q270 WeakPolarHBondContact O-CG 3.4Å; S266-Q270 PolarHBondContact O-N 2.72Å; S266-Q270 VanDerWaalsContact O-N 3.09Å; S266-Q270 PolarHBondContact OG-NE2 2.73Å; S266-D304 WeakPolarHBondContact CB-OD2 3.45Å; S266-D304 PolarHBondContact OG-OD2 3.05Å
267Q97Very high96.1Very high12 Ų1212.1 Ų12.16%0.0566%0.063CC..Hα-helixtrans-59-42.4174.8-72.6173.2-3400111.4V232 L237 F263 N264 Q270 L271V232-Q267 PolarHBondContact O-NE2 3.4Å; L237-Q267 HydrophobicContact CD1-CG 4.41Å; L237-Q267 HydrophobicContact CD2-CB 4.31Å; L237-Q267 HydrophobicContact CD2-CG 3.92Å; F263-Q267 HydrophobicContact CB-CB 3.98Å; F263-Q267 HydrophobicContact CD1-CB 4.04Å; F263-Q267 HydrophobicContact CG-CB 4.42Å; N264-Q267 PolarHBondContact ND2-OE1 3.46Å; N264-Q267 PolarHBondContact O-N 2.93Å; N264-Q267 WeakPolarHBondContact OD1-CG 3.47Å; N264-Q267 PolarHBondContact OD1-N 3.07Å; Q267-Q270 PolarHBondContact O-N 3.3Å; Q267-L271 WeakPolarHBondContact O-CB 3.46Å; Q267-L271 WeakPolarHBondContact O-CG 3.03Å; Q267-L271 PolarHBondContact O-N 2.81Å
268I96.6Very high96.1Very high0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-61-45.2176.9-72.7170.1000111.1F263 N264 P265 S266 Q270 L271 A272 F279 Y363 M366 F367 I370F263-I268 HydrophobicContact CB-CD1 4.31Å; F263-I268 HydrophobicContact CB-CG1 3.72Å; N264-I268 WeakPolarHBondContact O-CG1 3.34Å; N264-I268 PolarHBondContact O-N 2.75Å; P265-I268 PolarHBondContact O-N 3.14Å; S266-I268 VanDerWaalsContact C-N 3.3Å; S266-I268 PolarHBondContact O-N 3.18Å; I268-Q270 VanDerWaalsContact C-N 3.35Å; I268-Q270 PolarHBondContact O-N 2.85Å; I268-L271 PolarHBondContact O-N 2.92Å; I268-A272 VanDerWaalsContact O-CB 3.25Å; I268-A272 WeakPolarHBondContact O-CB 3.36Å; I268-A272 PolarHBondContact O-N 3.16Å; I268-F279 HydrophobicContact CB-CD1 4.36Å; I268-F279 HydrophobicContact CB-CE1 4.49Å; I268-F279 HydrophobicContact CG1-CD1 3.89Å; I268-F279 HydrophobicContact CG1-CE1 4.42Å; I268-F279 HydrophobicContact CG1-CG 4.39Å; I268-F279 HydrophobicContact CG2-CD1 4.11Å; I268-F279 HydrophobicContact CG2-CD2 4.35Å; I268-F279 HydrophobicContact CG2-CE1 4.25Å; I268-F279 HydrophobicContact CG2-CE2 4.48Å; I268-F279 HydrophobicContact CG2-CG 4.15Å; I268-F279 HydrophobicContact CG2-CZ 4.42Å; I268-Y363 HydrophobicContact CD1-CD1 4.39Å; I268-Y363 HydrophobicContact CD1-CE1 3.61Å; I268-M366 HydrophobicContact CB-CE 4.43Å; I268-M366 HydrophobicContact CD1-CE 3.53Å; I268-M366 HydrophobicContact CG2-CE 4.12Å; I268-F367 HydrophobicContact CD1-CE2 4.4Å; I268-F367 HydrophobicContact CG2-CE1 4.49Å; I268-F367 HydrophobicContact CG2-CE2 4.15Å; I268-F367 HydrophobicContact CG2-CZ 3.69Å; I268-I370 HydrophobicContact CG2-CD1 4.24Å
269V94.7Very high96.1Very high7 Ų712.1 Ų12.14%0.0426%0.063CC..Hα-helixtrans-59.8-45.8178.3171.80000111.1P265 S266 A272 K273 F300 P301 D304P265-V269 WeakPolarHBondContact O-CG2 3.17Å; P265-V269 PolarHBondContact O-N 2.77Å; P265-V269 VanDerWaalsContact O-N 3.12Å; S266-V269 PolarHBondContact O-N 3.32Å; V269-A272 PolarHBondContact O-N 2.94Å; V269-K273 HydrophobicContact CG1-CD 4.18Å; V269-K273 VanDerWaalsContact CG1-CE 3.49Å; V269-K273 VanDerWaalsContact O-CG 3.27Å; V269-K273 WeakPolarHBondContact O-CG 3.46Å; V269-K273 PolarHBondContact O-N 3.08Å; V269-F300 HydrophobicContact CG2-CE1 4.04Å; V269-F300 HydrophobicContact CG2-CE2 3.84Å; V269-F300 HydrophobicContact CG2-CZ 3.31Å; V269-P301 HydrophobicContact CG2-CB 4.28Å; V269-D304 HydrophobicContact CB-CB 4Å; V269-D304 HydrophobicContact CG1-CB 4.06Å; V269-D304 HydrophobicContact CG2-CB 3.88Å
270Q94.6Very high96.1Very high59 Ų5912.2 Ų12.228%0.2766%0.064SC..Hα-helixtrans-65.6-42-179.8-67.4-178.255.200112.5L237 S266 Q267 I268 K273 A274L237-Q270 HydrophobicContact CD2-CB 3.98Å; L237-Q270 VanDerWaalsContact CD2-CD 3.4Å; L237-Q270 HydrophobicContact CD2-CG 4.25Å; L237-Q270 VanDerWaalsContact CD2-OE1 3.25Å; S266-Q270 WeakPolarHBondContact O-CG 3.4Å; S266-Q270 PolarHBondContact O-N 2.72Å; S266-Q270 VanDerWaalsContact O-N 3.09Å; S266-Q270 PolarHBondContact OG-NE2 2.73Å; Q267-Q270 PolarHBondContact O-N 3.3Å; I268-Q270 VanDerWaalsContact C-N 3.35Å; I268-Q270 PolarHBondContact O-N 2.85Å; Q270-K273 PolarHBondContact O-N 2.8Å; Q270-A274 PolarHBondContact O-N 3.23Å
271L95.7Very high96.1Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-69.7-34.2176.9-72.2166.1000112.5L237 V241 I259 F263 Q267 I268 A274 G275 I276 F279L237-L271 HydrophobicContact CD1-CD1 4.26Å; L237-L271 HydrophobicContact CD1-CD2 4.27Å; L237-L271 HydrophobicContact CD1-CG 4.09Å; V241-L271 HydrophobicContact CG2-CD2 4.2Å; I259-L271 HydrophobicContact CD1-CD1 4.31Å; I259-L271 HydrophobicContact CD1-CD2 3.9Å; I259-L271 HydrophobicContact CG2-CD1 3.91Å; F263-L271 HydrophobicContact CD1-CD1 3.85Å; F263-L271 HydrophobicContact CD2-CD1 4.1Å; F263-L271 HydrophobicContact CE1-CD1 3.84Å; F263-L271 HydrophobicContact CE2-CD1 4.11Å; F263-L271 HydrophobicContact CG-CD1 3.99Å; F263-L271 HydrophobicContact CZ-CD1 3.98Å; Q267-L271 WeakPolarHBondContact O-CB 3.46Å; Q267-L271 WeakPolarHBondContact O-CG 3.03Å; Q267-L271 PolarHBondContact O-N 2.81Å; I268-L271 PolarHBondContact O-N 2.92Å; L271-A274 WeakPolarHBondContact O-CB 3.49Å; L271-A274 PolarHBondContact O-N 3.3Å; L271-G275 PolarHBondContact O-N 2.82Å; L271-I276 HydrophobicContact CB-CG1 4.37Å; L271-I276 WeakPolarHBondContact O-CB 3.3Å; L271-I276 PolarHBondContact O-N 3.13Å; L271-F279 HydrophobicContact CB-CE1 3.58Å; L271-F279 HydrophobicContact CB-CZ 3.95Å; L271-F279 HydrophobicContact CD1-CE1 4.29Å
272A94.5Very high96.2Very high4 Ų412.2 Ų12.23%0.0336%0.064CC..Hα-helixtrans-65.3-43.7174.200000110.6G13 P31 I268 V269 A274 G275 F279G13-A272 WeakPolarHBondContact CA-O 3.46Å; P31-A272 HydrophobicContact CG-CB 4.21Å; I268-A272 VanDerWaalsContact O-CB 3.25Å; I268-A272 WeakPolarHBondContact O-CB 3.36Å; I268-A272 PolarHBondContact O-N 3.16Å; V269-A272 PolarHBondContact O-N 2.94Å; A272-A274 VanDerWaalsContact C-N 3.26Å; A272-A274 PolarHBondContact O-N 2.87Å; A272-G275 WeakPolarHBondContact O-CA 3.39Å; A272-G275 PolarHBondContact O-N 3.01Å; A272-F279 HydrophobicContact CB-CE2 4.07Å; A272-F279 HydrophobicContact CB-CZ 3.91Å
273K92.4Very high96.2Very high101 Ų10113.1 Ų13.144%0.4397%0.067SC..Hα-helixtrans-60.2-35.4171.8-70.3176.6-175.2-1750112.3G11 V269 Q270 G275G11-K273 WeakPolarHBondContact O-CD 3.1Å; G11-K273 WeakPolarHBondContact O-CE 3.43Å; G11-K273 WeakPolarHBondContact O-CG 3.34Å; V269-K273 HydrophobicContact CG1-CD 4.18Å; V269-K273 VanDerWaalsContact CG1-CE 3.49Å; V269-K273 VanDerWaalsContact O-CG 3.27Å; V269-K273 WeakPolarHBondContact O-CG 3.46Å; V269-K273 PolarHBondContact O-N 3.08Å; Q270-K273 PolarHBondContact O-N 2.8Å; K273-G275 PolarHBondContact O-N 3.41Å
274A93.6Very high96.2Very high9 Ų913 Ų137%0.0747%0.067CC..THydrogen-bonded Turntrans-69.7-11.7174.200000113.6V241 Q245 L248 Q270 L271 A272V241-A274 HydrophobicContact CG1-CB 3.84Å; V241-A274 HydrophobicContact CG2-CB 4.34Å; Q245-A274 HydrophobicContact CG-CB 4.11Å; L248-A274 WeakPolarHBondContact CD1-O 3.3Å; Q270-A274 PolarHBondContact O-N 3.23Å; L271-A274 WeakPolarHBondContact O-CB 3.49Å; L271-A274 PolarHBondContact O-N 3.3Å; A272-A274 VanDerWaalsContact C-N 3.26Å; A272-A274 PolarHBondContact O-N 2.87Å
275G93.8Very high96.1Very high5 Ų512.3 Ų12.35%0.0526%0.063CC..THydrogen-bonded Turntrans104.316.1174.300000115.1R14 R257 L271 A272 K273R14-G275 WeakPolarHBondContact CD-O 3.21Å; R14-G275 PolarHBondContact NH1-O 3.41Å; R257-G275 WeakPolarHBondContact CD-O 3.19Å; L271-G275 PolarHBondContact O-N 2.82Å; A272-G275 WeakPolarHBondContact O-CA 3.39Å; A272-G275 PolarHBondContact O-N 3.01Å; K273-G275 PolarHBondContact O-N 3.41Å
276I96.6Very high96.1Very high0 Ų014.4 Ų14.40%07%0.074CC..  trans-75.9137.3170.5-60.9-61.3000110.3F223 V244 R257 I259 L271 L278 F279F223-I276 HydrophobicContact CD2-CD1 3.96Å; F223-I276 HydrophobicContact CE2-CD1 4.27Å; V244-I276 HydrophobicContact CG1-CD1 3.77Å; V244-I276 HydrophobicContact CG1-CG1 4.19Å; R257-I276 HydrophobicContact CB-CD1 4.04Å; I259-I276 HydrophobicContact CB-CD1 4.36Å; I259-I276 HydrophobicContact CB-CG1 4.45Å; I259-I276 HydrophobicContact CB-CG2 4.31Å; I259-I276 HydrophobicContact CG2-CB 4.43Å; I259-I276 HydrophobicContact CG2-CG1 4.14Å; I259-I276 HydrophobicContact CG2-CG2 3.72Å; L271-I276 HydrophobicContact CB-CG1 4.37Å; L271-I276 WeakPolarHBondContact O-CB 3.3Å; L271-I276 PolarHBondContact O-N 3.13Å; I276-L278 VanDerWaalsContact CG2-O 3.26Å; I276-L278 WeakPolarHBondContact CG2-O 3.47Å; I276-F279 HydrophobicContact CB-CE1 4.22Å; I276-F279 HydrophobicContact CB-CE2 4.32Å; I276-F279 HydrophobicContact CB-CZ 3.69Å; I276-F279 HydrophobicContact CG2-CD1 4.46Å; I276-F279 HydrophobicContact CG2-CE1 3.83Å; I276-F279 HydrophobicContact CG2-CE2 3.94Å; I276-F279 HydrophobicContact CG2-CZ 3.54Å
277D96.5Very high96.2Very high0 Ų013.8 Ų13.80%07%0.069CC..  trans-98.9-34.6-175.1-60.1-67.1000112.9R14 T30 P31 M32 L256 R257R14-D277 WeakPolarHBondContact CD-OD1 3.34Å; T30-D277 HydrophobicContact CG2-CB 4.05Å; P31-D277 CarbonylContact C-O 3.55Å; P31-D277 VanDerWaalsContact CA-O 3.25Å; P31-D277 WeakPolarHBondContact CA-O 3.43Å; M32-D277 PolarHBondContact N-O 2.93Å; L256-D277 HydrophobicContact CD2-CB 3.92Å; R257-D277 WeakPolarHBondContact CD-OD2 3.42Å; R257-D277 IonicContact CZ-OD2 2.75Å; R257-D277 PolarHBondContact N-OD2 3.32Å; R257-D277 IonicContact NE-OD2 3.5Å; R257-D277 IonicContact NH1-OD1 2.83Å; R257-D277 IonicContact NH1-OD2 3.73Å; R257-D277 PolarHBondContact NH1-OD2 3.41Å; R257-D277 PolarHBondContact O-N 3.02Å
278L97.5Very high96.2Very high0 Ų013.2 Ų13.20%07%0.066CC..EExtended strand (participates in β ladder)trans-118.9140.2-172.8-52.1-179000110.6M32 L34 F193 L256 R257 Y258 I276M32-L278 HydrophobicContact CB-CD2 4.1Å; M32-L278 HydrophobicContact CE-CD2 3.67Å; L34-L278 HydrophobicContact CD1-CB 4.36Å; L34-L278 HydrophobicContact CD2-CD2 4.47Å; L34-L278 HydrophobicContact CG-CB 4.47Å; F193-L278 HydrophobicContact CE1-CD1 4.26Å; F193-L278 HydrophobicContact CZ-CD1 4.49Å; L256-L278 HydrophobicContact CB-CD1 4.31Å; L256-L278 HydrophobicContact CD1-CD1 4.15Å; R257-L278 PolarHBondContact O-N 2.55Å; Y258-L278 HydrophobicContact CD2-CB 3.82Å; Y258-L278 WeakPolarHBondContact CD2-O 3.37Å; Y258-L278 HydrophobicContact CG-CB 4.21Å; I276-L278 VanDerWaalsContact CG2-O 3.26Å; I276-L278 WeakPolarHBondContact CG2-O 3.47Å
279F97.7Very high96.2Very high0 Ų015.3 Ų15.30%09%0.087CC..EExtended strand (participates in β ladder)trans-140166.8178.6-61.7-87.9000109.6P31 M32 L33 L34 I259 I268 L271 A272 I276 F367P31-F279 HydrophobicContact CB-CE2 4.17Å; M32-F279 PolarHBondContact O-N 3.37Å; L33-F279 CarbonylContact C-O 3.57Å; L34-F279 WeakPolarHBondContact CB-O 3.43Å; L34-F279 WeakPolarHBondContact CG-O 3.29Å; L34-F279 PolarHBondContact N-O 3.04Å; I259-F279 HydrophobicContact CG2-CD1 4.32Å; I259-F279 HydrophobicContact CG2-CE1 4.11Å; I268-F279 HydrophobicContact CB-CD1 4.36Å; I268-F279 HydrophobicContact CB-CE1 4.49Å; I268-F279 HydrophobicContact CG1-CD1 3.89Å; I268-F279 HydrophobicContact CG1-CE1 4.42Å; I268-F279 HydrophobicContact CG1-CG 4.39Å; I268-F279 HydrophobicContact CG2-CD1 4.11Å; I268-F279 HydrophobicContact CG2-CD2 4.35Å; I268-F279 HydrophobicContact CG2-CE1 4.25Å; I268-F279 HydrophobicContact CG2-CE2 4.48Å; I268-F279 HydrophobicContact CG2-CG 4.15Å; I268-F279 HydrophobicContact CG2-CZ 4.42Å; L271-F279 HydrophobicContact CB-CE1 3.58Å; L271-F279 HydrophobicContact CB-CZ 3.95Å; L271-F279 HydrophobicContact CD1-CE1 4.29Å; A272-F279 HydrophobicContact CB-CE2 4.07Å; A272-F279 HydrophobicContact CB-CZ 3.91Å; I276-F279 HydrophobicContact CB-CE1 4.22Å; I276-F279 HydrophobicContact CB-CE2 4.32Å; I276-F279 HydrophobicContact CB-CZ 3.69Å; I276-F279 HydrophobicContact CG2-CD1 4.46Å; I276-F279 HydrophobicContact CG2-CE1 3.83Å; I276-F279 HydrophobicContact CG2-CE2 3.94Å; I276-F279 HydrophobicContact CG2-CZ 3.54Å; F279-F367 HydrophobicContact CB-CE1 4.32Å; F279-F367 HydrophobicContact CB-CE2 4.35Å; F279-F367 HydrophobicContact CB-CZ 3.55Å; F279-F367 AromaticContact CD2-CE1 3.59Å; F279-F367 HydrophobicContact CD2-CE1 3.59Å; F279-F367 AromaticContact CD2-CZ 3.52Å; F279-F367 HydrophobicContact CD2-CZ 3.52Å; F279-F367 HydrophobicContact CE2-CE1 4.34Å; F279-F367 HydrophobicContact CE2-CZ 4.46Å; F279-F367 HydrophobicContact CG-CE1 4.26Å; F279-F367 AromaticContact CG-CZ 3.71Å; F279-F367 HydrophobicContact CG-CZ 3.71Å
280D97.6Very high96.3Very high1 Ų119.6 Ų19.61%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-123.7162.6179.168.777.6000114L34 L66 P109 Y258 G261 S282L34-D280 HydrophobicContact CB-CB 4.48Å; L34-D280 WeakPolarHBondContact O-CA 3.28Å; L66-D280 HydrophobicContact CD2-CB 3.44Å; L66-D280 VanDerWaalsContact CD2-CB 3.44Å; P109-D280 WeakPolarHBondContact CG-OD2 3.11Å; Y258-D280 HydrophobicContact CE2-CB 4.47Å; Y258-D280 PolarHBondContact OH-OD2 3.14Å; G261-D280 PolarHBondContact N-OD2 2.8Å; D280-S282 WeakPolarHBondContact OD1-CB 3.25Å; D280-S282 PolarHBondContact OD1-N 2.71Å; D280-S282 PolarHBondContact OD1-OG 3.48Å
281S97.5Very high96.5Very high0 Ų016.8 Ų16.80%09%0.092CC..SBendtrans-94.118.9-17774.40000113.7L34 H36 F283 A284 T285L34-S281 PolarHBondContact O-N 3.28Å; L34-S281 VanDerWaalsContact O-N 3.09Å; H36-S281 WeakPolarHBondContact CB-OG 3.19Å; H36-S281 PolarHBondContact N-OG 3.16Å; S281-F283 VanDerWaalsContact C-N 3.3Å; S281-F283 PolarHBondContact O-N 2.73Å; S281-A284 WeakPolarHBondContact O-CB 3.49Å; S281-A284 PolarHBondContact O-N 3.19Å; S281-T285 PolarHBondContact O-N 2.81Å
282S97.3Very high96.6Very high0 Ų017.8 Ų17.80%010%0.097CC..Hα-helixtrans-66.3-31.2-176.360.60000113P109 A262 D280 A284 T285 L286P109-S282 WeakPolarHBondContact CB-OG 3.33Å; A262-S282 WeakPolarHBondContact CA-OG 3.21Å; A262-S282 WeakPolarHBondContact CB-OG 3.3Å; A262-S282 PolarHBondContact N-OG 2.87Å; D280-S282 WeakPolarHBondContact OD1-CB 3.25Å; D280-S282 PolarHBondContact OD1-N 2.71Å; D280-S282 PolarHBondContact OD1-OG 3.48Å; S282-A284 VanDerWaalsContact C-N 3.3Å; S282-A284 PolarHBondContact O-N 2.86Å; S282-T285 PolarHBondContact O-N 3.08Å; S282-T285 PolarHBondContact O-OG1 2.71Å; S282-L286 WeakPolarHBondContact O-CB 3.46Å; S282-L286 WeakPolarHBondContact O-CG 3.25Å; S282-L286 PolarHBondContact O-N 2.87Å
283F97.9Very high96.8Very high22 Ų2217.6 Ų17.610%0.09610%0.096CC..Hα-helixtrans-59.4-42.6173.6-174.3-99.1000111.7A262 F263 N264 S281 T285 L286 E287 I294 F306 Y363A262-F283 HydrophobicContact CB-CB 4.11Å; A262-F283 HydrophobicContact CB-CD2 4.46Å; A262-F283 WeakPolarHBondContact O-CD2 3.24Å; F263-F283 WeakPolarHBondContact O-CB 3.4Å; N264-F283 HydrophobicContact CB-CD1 4.38Å; N264-F283 HydrophobicContact CB-CD2 4.31Å; N264-F283 HydrophobicContact CB-CE1 3.92Å; N264-F283 HydrophobicContact CB-CE2 3.87Å; N264-F283 HydrophobicContact CB-CZ 3.65Å; S281-F283 VanDerWaalsContact C-N 3.3Å; S281-F283 PolarHBondContact O-N 2.73Å; F283-T285 VanDerWaalsContact C-N 3.31Å; F283-T285 PolarHBondContact O-N 3.34Å; F283-L286 PolarHBondContact O-N 3.09Å; F283-E287 HydrophobicContact CD1-CG 3.96Å; F283-E287 HydrophobicContact CD2-CG 4.3Å; F283-E287 HydrophobicContact CE1-CG 3.58Å; F283-E287 HydrophobicContact CE2-CG 3.93Å; F283-E287 HydrophobicContact CG-CG 4.34Å; F283-E287 HydrophobicContact CZ-CG 3.56Å; F283-E287 WeakPolarHBondContact O-CB 3.2Å; F283-E287 WeakPolarHBondContact O-CG 3.47Å; F283-E287 PolarHBondContact O-N 3.36Å; F283-I294 HydrophobicContact CD1-CD1 3.5Å; F283-I294 VanDerWaalsContact CD1-CD1 3.5Å; F283-I294 HydrophobicContact CE1-CD1 3.51Å; F283-I294 HydrophobicContact CE1-CG1 4.13Å; F283-F306 HydrophobicContact CE1-CE2 4.46Å; F283-F306 HydrophobicContact CZ-CE2 4.44Å; F283-Y363 HydrophobicContact CB-CE1 4.42Å; F283-Y363 WeakPolarHBondContact CB-OH 3.42Å; F283-Y363 HydrophobicContact CD1-CE2 4.05Å; F283-Y363 AromaticContact CD1-CZ 3.79Å; F283-Y363 WeakPolarHBondContact CD1-OH 3.35Å; F283-Y363 WeakPolarHBondContact CG-OH 3.36Å
284A97.6Very high97Very high0 Ų012.8 Ų12.80%08%0.075CC..Hα-helixtrans-60-41179.200000112.4S281 S282 A288 N359 L360 Y363S281-A284 WeakPolarHBondContact O-CB 3.49Å; S281-A284 PolarHBondContact O-N 3.19Å; S282-A284 VanDerWaalsContact C-N 3.3Å; S282-A284 PolarHBondContact O-N 2.86Å; A284-A288 WeakPolarHBondContact O-CB 3.38Å; A284-A288 PolarHBondContact O-N 3.02Å; A284-A288 VanDerWaalsContact O-N 3.14Å; A284-N359 HydrophobicContact CB-CB 3.71Å; A284-N359 WeakPolarHBondContact O-CB 3.49Å; A284-N359 PolarHBondContact O-ND2 3.39Å; A284-L360 HydrophobicContact CB-CD2 4.06Å; A284-Y363 HydrophobicContact CB-CD2 4Å; A284-Y363 HydrophobicContact CB-CE2 4.34Å; A284-Y363 HydrophobicContact CB-CG 4.17Å
285T95.9Very high97.2Very high13 Ų1314.3 Ų14.38%0.088%0.08CC..Hα-helixtrans-77-36.8179.957.80000111.8H36 P43 S281 S282 F283 A288 G289 T356H36-T285 PolarHBondContact ND1-OG1 3.11Å; P43-T285 HydrophobicContact CB-CG2 4.33Å; P43-T285 HydrophobicContact CG-CG2 3.9Å; S281-T285 PolarHBondContact O-N 2.81Å; S282-T285 PolarHBondContact O-N 3.08Å; S282-T285 PolarHBondContact O-OG1 2.71Å; F283-T285 VanDerWaalsContact C-N 3.31Å; F283-T285 PolarHBondContact O-N 3.34Å; T285-A288 PolarHBondContact O-N 3.3Å; T285-G289 PolarHBondContact O-N 2.9Å; T285-T356 HydrophobicContact CG2-CG2 4.15Å
286L96.7Very high97.4Very high44 Ų4414.2 Ų14.223%0.238%0.078CC..Hα-helixtrans-63.5-46.3173.5-74.1-179.4000112.1A110 A262 S282 F283 G289 K290A110-L286 HydrophobicContact CB-CD1 4.48Å; A110-L286 HydrophobicContact CB-CD2 4.04Å; A110-L286 HydrophobicContact CB-CG 4.18Å; A262-L286 HydrophobicContact CB-CD1 3.58Å; S282-L286 WeakPolarHBondContact O-CB 3.46Å; S282-L286 WeakPolarHBondContact O-CG 3.25Å; S282-L286 PolarHBondContact O-N 2.87Å; F283-L286 PolarHBondContact O-N 3.09Å; L286-G289 PolarHBondContact O-N 3.18Å; L286-K290 WeakPolarHBondContact O-CG 3.45Å; L286-K290 PolarHBondContact O-N 2.66Å; L286-K290 VanDerWaalsContact O-N 3.12Å
287E98Very high97.3Very high13 Ų1316.1 Ų16.16%0.0619%0.089CC..Hα-helixtrans-65.9-38.5178.1-71.2-52.7121.800111.9F283 G289 K290 G291 N292 I294F283-E287 HydrophobicContact CD1-CG 3.96Å; F283-E287 HydrophobicContact CD2-CG 4.3Å; F283-E287 HydrophobicContact CE1-CG 3.58Å; F283-E287 HydrophobicContact CE2-CG 3.93Å; F283-E287 HydrophobicContact CG-CG 4.34Å; F283-E287 HydrophobicContact CZ-CG 3.56Å; F283-E287 WeakPolarHBondContact O-CB 3.2Å; F283-E287 WeakPolarHBondContact O-CG 3.47Å; F283-E287 PolarHBondContact O-N 3.36Å; E287-G289 VanDerWaalsContact C-N 3.29Å; E287-G289 PolarHBondContact O-N 3.39Å; E287-K290 PolarHBondContact O-N 3.24Å; E287-K290 IonicContact OE1-NZ 2.75Å; E287-K290 PolarHBondContact OE1-NZ 3.13Å; E287-G291 PolarHBondContact O-N 3.22Å; E287-N292 CarbonylContact C-O 3.46Å; E287-N292 HydrophobicContact CB-CB 4.14Å; E287-N292 WeakPolarHBondContact O-CB 3.39Å; E287-N292 PolarHBondContact O-N 3.14Å; E287-N292 WeakPolarHBondContact OE2-CB 3.46Å; E287-N292 PolarHBondContact OE2-ND2 3.3Å; E287-I294 HydrophobicContact CB-CD1 4.14Å; E287-I294 HydrophobicContact CB-CG1 4.28Å; E287-I294 HydrophobicContact CG-CD1 4.21Å; E287-I294 HydrophobicContact CG-CG1 4.42Å
288A97.8Very high97.2Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-60.8-40.517300000111.8A284 T285 K290 G291 L355 T356 N359A284-A288 WeakPolarHBondContact O-CB 3.38Å; A284-A288 PolarHBondContact O-N 3.02Å; A284-A288 VanDerWaalsContact O-N 3.14Å; T285-A288 PolarHBondContact O-N 3.3Å; A288-K290 PolarHBondContact O-N 3.47Å; A288-G291 PolarHBondContact O-N 3.13Å; A288-G291 VanDerWaalsContact O-N 3.08Å; A288-L355 HydrophobicContact CB-CB 3.78Å; A288-T356 WeakPolarHBondContact CB-OG1 3.43Å; A288-N359 PolarHBondContact N-ND2 2.91Å
289G96.3Very high97Very high43 Ų4327.5 Ų27.544%0.44315%0.15SC..Hα-helixtrans-66.6-18.8174.800000114.6T285 L286 E287 W344T285-G289 PolarHBondContact O-N 2.9Å; L286-G289 PolarHBondContact O-N 3.18Å; E287-G289 VanDerWaalsContact C-N 3.29Å; E287-G289 PolarHBondContact O-N 3.39Å; G289-W344 WeakPolarHBondContact O-CH2 3.39Å
290K96.9Very high96.8Very high98 Ų9827.9 Ų27.943%0.42615%0.152SC..THydrogen-bonded Turntrans-90.5-3.5172.3-64.8171.5-168.2171.30113.2L286 E287 A288L286-K290 WeakPolarHBondContact O-CG 3.45Å; L286-K290 PolarHBondContact O-N 2.66Å; L286-K290 VanDerWaalsContact O-N 3.12Å; E287-K290 PolarHBondContact O-N 3.24Å; E287-K290 IonicContact OE1-NZ 2.75Å; E287-K290 PolarHBondContact OE1-NZ 3.13Å; A288-K290 PolarHBondContact O-N 3.47Å
291G97.7Very high96.5Very high0 Ų028.9 Ų28.90%016%0.158CC..THydrogen-bonded Turntrans8421.6-175.900000114E287 A288 V311 C312E287-G291 PolarHBondContact O-N 3.22Å; A288-G291 PolarHBondContact O-N 3.13Å; A288-G291 VanDerWaalsContact O-N 3.08Å; G291-V311 PolarHBondContact O-N 3.46Å; G291-V311 VanDerWaalsContact O-N 3.17Å; G291-C312 WeakPolarHBondContact CA-SG 3.46Å; G291-C312 PolarHBondContact O-N 3.32Å; G291-C312 PolarHBondContact O-SG 2.75Å; G291-C312 VanDerWaalsContact O-SG 3.38Å
292N98.3Very high96.1Very high20 Ų2036.3 Ų36.311%0.10720%0.197CC..  trans-108.2138.8-174.1-62.7-20.1000112.3E287 V308 I309 E310 N359E287-N292 CarbonylContact C-O 3.46Å; E287-N292 HydrophobicContact CB-CB 4.14Å; E287-N292 WeakPolarHBondContact O-CB 3.39Å; E287-N292 PolarHBondContact O-N 3.14Å; E287-N292 WeakPolarHBondContact OE2-CB 3.46Å; E287-N292 PolarHBondContact OE2-ND2 3.3Å; N292-V308 HydrophobicContact CB-CG1 3.64Å; N292-I309 WeakPolarHBondContact CA-O 3.46Å; N292-E310 WeakPolarHBondContact OD1-CA 3.42Å; N292-N359 PolarHBondContact O-ND2 3.38Å
293A98.6Very high95.9Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-104.1130.3169.600000110.3I309 V311 V323 V324 L355 N359A293-I309 HydrophobicContact CB-CB 4.47Å; A293-I309 PolarHBondContact N-O 2.83Å; A293-I309 PolarHBondContact O-N 3.32Å; A293-V311 HydrophobicContact CB-CG2 3.59Å; A293-V323 HydrophobicContact CB-CG1 4Å; A293-V324 HydrophobicContact CB-CG2 3.95Å; A293-L355 HydrophobicContact CB-CD2 3.97Å; A293-N359 WeakPolarHBondContact CA-OD1 3.32Å
294I98.2Very high95.7Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans-87.3143.2176.2-59.1168.5000108.6P265 F283 E287 F306 E307 H358 N359 Q362 Y363P265-I294 HydrophobicContact CG-CG2 4.27Å; F283-I294 HydrophobicContact CD1-CD1 3.5Å; F283-I294 VanDerWaalsContact CD1-CD1 3.5Å; F283-I294 HydrophobicContact CE1-CD1 3.51Å; F283-I294 HydrophobicContact CE1-CG1 4.13Å; E287-I294 HydrophobicContact CB-CD1 4.14Å; E287-I294 HydrophobicContact CB-CG1 4.28Å; E287-I294 HydrophobicContact CG-CD1 4.21Å; E287-I294 HydrophobicContact CG-CG1 4.42Å; I294-F306 HydrophobicContact CG2-CD2 4.3Å; I294-E307 CarbonylContact C-O 3.58Å; I294-E307 WeakPolarHBondContact CA-O 3.44Å; I294-H358 PolarHBondContact O-NE2 3.13Å; I294-N359 HydrophobicContact CD1-CB 4.2Å; I294-N359 PolarHBondContact N-OD1 3.32Å; I294-Q362 WeakPolarHBondContact O-CG 3.39Å; I294-Y363 HydrophobicContact CD1-CD2 4.38Å; I294-Y363 HydrophobicContact CD1-CE2 3.76Å
295F97.9Very high95.7Very high41 Ų4142.3 Ų42.318%0.1823%0.234CC..EExtended strand (participates in β ladder)trans-138.5123.5170.3-172.8-132.3000111.3F306 E307 I309 V324 E325F295-F306 CarbonylContact O-C 3.48Å; F295-F306 WeakPolarHBondContact O-CA 3.37Å; F295-F306 WeakPolarHBondContact O-CB 3.43Å; F295-E307 HydrophobicContact CB-CB 4.48Å; F295-E307 PolarHBondContact N-O 2.78Å; F295-E307 PolarHBondContact O-N 3Å; F295-I309 HydrophobicContact CB-CD1 4.49Å; F295-V324 HydrophobicContact CB-CG1 3.75Å; F295-V324 HydrophobicContact CD1-CG1 3.82Å; F295-V324 HydrophobicContact CD2-CB 4.49Å; F295-V324 HydrophobicContact CD2-CG1 3.27Å; F295-V324 HydrophobicContact CE1-CG1 4.16Å; F295-V324 HydrophobicContact CE2-CG1 3.65Å; F295-V324 HydrophobicContact CG-CG1 3.34Å; F295-V324 HydrophobicContact CZ-CG1 4.08Å; F295-E325 WeakPolarHBondContact CZ-O 3.35Å
296L97Very high95.7Very high3 Ų344.1 Ų44.12%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-81146.5179.3-58.2176000110.7P265 F300 F306 Q362 M366P265-L296 HydrophobicContact CB-CD2 3.58Å; P265-L296 HydrophobicContact CG-CD2 3.51Å; L296-F300 HydrophobicContact CB-CB 4.43Å; L296-F300 HydrophobicContact CD2-CD2 4.28Å; L296-F300 HydrophobicContact CD2-CE2 4.27Å; L296-F306 HydrophobicContact CD2-CB 4.17Å; L296-Q362 WeakPolarHBondContact CD1-O 3.36Å; L296-M366 HydrophobicContact CD1-CB 3.65Å; L296-M366 HydrophobicContact CD1-CG 3.88Å; L296-M366 HydrophobicContact CD1-SD 4.49Å; L296-M366 HydrophobicContact CD2-CG 4.48Å; L296-M366 HydrophobicContact CD2-SD 4.15Å
297N95.5Very high95.8Very high41 Ų4147.8 Ų47.822%0.21926%0.257CS..  trans-56.4143.3170.2-166.1-61.3000111.2E299 F300 N303 S305 R369N297-E299 PolarHBondContact O-N 3.39Å; N297-E299 PolarHBondContact OD1-N 3.1Å; N297-F300 WeakPolarHBondContact O-CB 2.98Å; N297-F300 PolarHBondContact O-N 3.45Å; N297-F300 VanDerWaalsContact O-N 3.08Å; N297-N303 HydrophobicContact CB-CB 4.43Å; N297-N303 PolarHBondContact ND2-ND2 3.41Å; N297-S305 VanDerWaalsContact CB-O 3.3Å; N297-S305 WeakPolarHBondContact CB-O 3.42Å; N297-S305 PolarHBondContact N-O 2.99Å; N297-S305 PolarHBondContact ND2-OG 3.18Å; N297-S305 VanDerWaalsContact ND2-OG 3.07Å; N297-R369 PolarHBondContact O-NH1 2.92Å; N297-R369 VanDerWaalsContact O-NH1 3.09Å; N297-R369 PolarHBondContact O-NH2 3.18Å
298T93.6Very high95.8Very high117 Ų11750 Ų5072%0.71827%0.271SS*.THydrogen-bonded Turntrans-60.9-22.4176.258.40000113.6R369T298-R369 PolarHBondContact O-NH2 3.35Å
299E93.4Very high95.7Very high122 Ų12250.9 Ų50.957%0.5728%0.276SS*.THydrogen-bonded Turntrans-97.12.8176.9-60.8-178.1159.900113.7N297 L302 N303N297-E299 PolarHBondContact O-N 3.39Å; N297-E299 PolarHBondContact OD1-N 3.1Å; E299-L302 WeakPolarHBondContact O-CA 3.44Å; E299-L302 VanDerWaalsContact O-CB 3.31Å; E299-L302 WeakPolarHBondContact O-CB 3.41Å; E299-L302 PolarHBondContact O-N 3.1Å; E299-N303 HydrophobicContact CB-CB 3.95Å; E299-N303 PolarHBondContact O-N 2.91Å
300F93.4Very high95.8Very high7 Ų753.3 Ų53.33%0.03128%0.276CS..THydrogen-bonded Turntrans-53.6138.3175-166.5-75.7000112.4P265 V269 L296 N297 N303 D304 M366 R369 I370P265-F300 HydrophobicContact CB-CE2 3.86Å; P265-F300 HydrophobicContact CB-CZ 4.28Å; V269-F300 HydrophobicContact CG2-CE1 4.04Å; V269-F300 HydrophobicContact CG2-CE2 3.84Å; V269-F300 HydrophobicContact CG2-CZ 3.31Å; L296-F300 HydrophobicContact CB-CB 4.43Å; L296-F300 HydrophobicContact CD2-CD2 4.28Å; L296-F300 HydrophobicContact CD2-CE2 4.27Å; N297-F300 WeakPolarHBondContact O-CB 2.98Å; N297-F300 PolarHBondContact O-N 3.45Å; N297-F300 VanDerWaalsContact O-N 3.08Å; F300-N303 VanDerWaalsContact CA-O 3.25Å; F300-N303 WeakPolarHBondContact CA-O 3.34Å; F300-N303 WeakPolarHBondContact CD2-O 3.21Å; F300-D304 HydrophobicContact CE2-CB 4.21Å; F300-M366 HydrophobicContact CD1-CG 3.99Å; F300-M366 HydrophobicContact CE1-CB 4.38Å; F300-M366 HydrophobicContact CE1-CG 3.16Å; F300-M366 HydrophobicContact CE1-SD 4.05Å; F300-M366 HydrophobicContact CE2-CG 4.39Å; F300-M366 HydrophobicContact CE2-SD 4.36Å; F300-M366 HydrophobicContact CZ-CG 3.39Å; F300-M366 HydrophobicContact CZ-SD 3.61Å; F300-R369 VanDerWaalsContact CB-NH2 3.34Å; F300-R369 PolarHBondContact O-NE 2.89Å; F300-R369 PolarHBondContact O-NH2 3.4Å; F300-I370 HydrophobicContact CE1-CD1 3.98Å; F300-I370 HydrophobicContact CE1-CG1 3.84Å; F300-I370 HydrophobicContact CZ-CD1 4.4Å
301P92Very high95.8Very high23 Ų2348.7 Ų48.715%0.14926%0.255CS..THydrogen-bonded Turncis-89.44.53.238.4-39.7000115.1V269 N303 I370 A373V269-P301 HydrophobicContact CG2-CB 4.28Å; P301-N303 PolarHBondContact O-N 3.05Å; P301-I370 HydrophobicContact CB-CG1 4.07Å; P301-I370 HydrophobicContact CG-CG1 4.34Å; P301-A373 HydrophobicContact CG-CB 3.56Å
302L88.7Confident95.7Very high155 Ų15549.8 Ų49.881%0.81226%0.263SS*.THydrogen-bonded Turntrans-62.9-37177.8-61.9172.7000110.8E299E299-L302 WeakPolarHBondContact O-CA 3.44Å; E299-L302 VanDerWaalsContact O-CB 3.31Å; E299-L302 WeakPolarHBondContact O-CB 3.41Å; E299-L302 PolarHBondContact O-N 3.1Å
303N93.2Very high95.6Very high52 Ų5251.7 Ų51.728%0.27827%0.273SS..SBendtrans-110.4107.6163.9-171.2-28000108.7N297 E299 F300 P301 S305N297-N303 HydrophobicContact CB-CB 4.43Å; N297-N303 PolarHBondContact ND2-ND2 3.41Å; E299-N303 HydrophobicContact CB-CB 3.95Å; E299-N303 PolarHBondContact O-N 2.91Å; F300-N303 VanDerWaalsContact CA-O 3.25Å; F300-N303 WeakPolarHBondContact CA-O 3.34Å; F300-N303 WeakPolarHBondContact CD2-O 3.21Å; P301-N303 PolarHBondContact O-N 3.05Å; N303-S305 PolarHBondContact O-N 3.33Å; N303-S305 WeakPolarHBondContact OD1-CB 3.18Å; N303-S305 PolarHBondContact OD1-N 2.66Å; N303-S305 VanDerWaalsContact OD1-N 3.07Å; N303-S305 PolarHBondContact OD1-OG 2.73Å
304D93.5Very high95.4Very high47 Ų4755.6 Ų55.625%0.25131%0.305SS..  trans-83.37.8-17771.2-31.1000113.7S266 V269 F300S266-D304 WeakPolarHBondContact CB-OD2 3.45Å; S266-D304 PolarHBondContact OG-OD2 3.05Å; V269-D304 HydrophobicContact CB-CB 4Å; V269-D304 HydrophobicContact CG1-CB 4.06Å; V269-D304 HydrophobicContact CG2-CB 3.88Å; F300-D304 HydrophobicContact CE2-CB 4.21Å
305S96.4Very high95.3Very high50 Ų5062.8 Ų62.835%0.3533%0.332SS..  trans-65.3152.9172.165.90000112N297 N303N297-S305 VanDerWaalsContact CB-O 3.3Å; N297-S305 WeakPolarHBondContact CB-O 3.42Å; N297-S305 PolarHBondContact N-O 2.99Å; N297-S305 PolarHBondContact ND2-OG 3.18Å; N297-S305 VanDerWaalsContact ND2-OG 3.07Å; N303-S305 PolarHBondContact O-N 3.33Å; N303-S305 WeakPolarHBondContact OD1-CB 3.18Å; N303-S305 PolarHBondContact OD1-N 2.66Å; N303-S305 VanDerWaalsContact OD1-N 3.07Å; N303-S305 PolarHBondContact OD1-OG 2.73Å
306F97.3Very high95.2Very high51 Ų5161.2 Ų61.222%0.22433%0.326CS..EExtended strand (participates in β ladder)trans-151.6160176.467.9-79.2000108.6N264 P265 F283 I294 F295 L296 V308N264-F306 HydrophobicContact CB-CE1 3.97Å; N264-F306 HydrophobicContact CB-CE2 4.16Å; N264-F306 HydrophobicContact CB-CZ 3.49Å; N264-F306 VanDerWaalsContact CB-CZ 3.49Å; P265-F306 HydrophobicContact CB-CB 4.18Å; P265-F306 HydrophobicContact CB-CD1 3.82Å; P265-F306 HydrophobicContact CB-CE1 4.46Å; P265-F306 HydrophobicContact CB-CG 4Å; P265-F306 HydrophobicContact CG-CB 4.02Å; P265-F306 HydrophobicContact CG-CD1 3.95Å; P265-F306 HydrophobicContact CG-CD2 4.03Å; P265-F306 HydrophobicContact CG-CE1 4.49Å; P265-F306 HydrophobicContact CG-CG 3.72Å; F283-F306 HydrophobicContact CE1-CE2 4.46Å; F283-F306 HydrophobicContact CZ-CE2 4.44Å; I294-F306 HydrophobicContact CG2-CD2 4.3Å; F295-F306 CarbonylContact O-C 3.48Å; F295-F306 WeakPolarHBondContact O-CA 3.37Å; F295-F306 WeakPolarHBondContact O-CB 3.43Å; L296-F306 HydrophobicContact CD2-CB 4.17Å; F306-V308 HydrophobicContact CD2-CG2 4.04Å; F306-V308 HydrophobicContact CE2-CG2 3.6Å
307E97.5Very high95.2Very high121 Ų12163.4 Ų63.457%0.56534%0.344SS*.EExtended strand (participates in β ladder)trans-110.4146.7175.4-66179.1-143.700110.3I294 F295I294-E307 CarbonylContact C-O 3.58Å; I294-E307 WeakPolarHBondContact CA-O 3.44Å; F295-E307 HydrophobicContact CB-CB 4.48Å; F295-E307 PolarHBondContact N-O 2.78Å; F295-E307 PolarHBondContact O-N 3Å
308V97.6Very high95.3Very high58 Ų5871.6 Ų71.635%0.35237%0.372SS..EExtended strand (participates in β ladder)trans-114.2107.7167.8-177.40000107.1N292 F306N292-V308 HydrophobicContact CB-CG1 3.64Å; F306-V308 HydrophobicContact CD2-CG2 4.04Å; F306-V308 HydrophobicContact CE2-CG2 3.6Å
309I97.7Very high95.4Very high20 Ų2069.6 Ų69.610%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-93.4112.8-179.8-58.7163.7000107.5N292 A293 F295 V311 V324N292-I309 WeakPolarHBondContact CA-O 3.46Å; A293-I309 HydrophobicContact CB-CB 4.47Å; A293-I309 PolarHBondContact N-O 2.83Å; A293-I309 PolarHBondContact O-N 3.32Å; F295-I309 HydrophobicContact CB-CD1 4.49Å; I309-V311 HydrophobicContact CB-CG2 4.45Å; I309-V311 HydrophobicContact CG2-CG2 3.99Å; I309-V311 PolarHBondContact O-N 3.43Å; I309-V324 HydrophobicContact CD1-CG1 4.24Å; I309-V324 HydrophobicContact CD1-CG2 3.82Å
310E98Very high95.6Very high94 Ų9471.1 Ų71.144%0.43936%0.359SS..  trans-70.570173.2-61.9177.3-176.300111.3N292 C312 N313 H316N292-E310 WeakPolarHBondContact OD1-CA 3.42Å; E310-C312 PolarHBondContact O-N 3.32Å; E310-N313 HydrophobicContact CB-CB 4.07Å; E310-N313 WeakPolarHBondContact O-CB 3.37Å; E310-N313 PolarHBondContact O-N 3.04Å; E310-N313 PolarHBondContact OE2-ND2 3.46Å; E310-N313 VanDerWaalsContact OE2-ND2 3.16Å; E310-H316 PolarHBondContact O-CD2 2.91Å
311V97.2Very high95.8Very high0 Ų074.9 Ų74.90%038%0.379CS..THydrogen-bonded Turntrans-52.9-33.2-174173.40000112.2G291 A293 I309 N313 V323 R337 V340 N341 L355G291-V311 PolarHBondContact O-N 3.46Å; G291-V311 VanDerWaalsContact O-N 3.17Å; A293-V311 HydrophobicContact CB-CG2 3.59Å; I309-V311 HydrophobicContact CB-CG2 4.45Å; I309-V311 HydrophobicContact CG2-CG2 3.99Å; I309-V311 PolarHBondContact O-N 3.43Å; V311-N313 VanDerWaalsContact C-N 3.27Å; V311-N313 PolarHBondContact O-N 2.95Å; V311-V323 HydrophobicContact CG1-CG1 4.39Å; V311-V323 HydrophobicContact CG2-CG1 3.72Å; V311-R337 HydrophobicContact CB-CG 4.47Å; V311-R337 HydrophobicContact CG1-CG 3.82Å; V311-R337 HydrophobicContact CG2-CG 4.35Å; V311-V340 HydrophobicContact CG1-CB 3.91Å; V311-V340 HydrophobicContact CG1-CG1 3.73Å; V311-N341 PolarHBondContact O-ND2 3.29Å; V311-L355 HydrophobicContact CB-CD2 4.31Å; V311-L355 HydrophobicContact CG2-CD2 4.14Å
312C93.8Very high96Very high24 Ų2476.2 Ų76.216%0.16239%0.388CS..THydrogen-bonded Turntrans-80.7-2.5-178-62.80000114.2G291 E310 N341 W344G291-C312 WeakPolarHBondContact CA-SG 3.46Å; G291-C312 PolarHBondContact O-N 3.32Å; G291-C312 PolarHBondContact O-SG 2.75Å; G291-C312 VanDerWaalsContact O-SG 3.38Å; E310-C312 PolarHBondContact O-N 3.32Å; C312-N341 WeakPolarHBondContact CA-ND2 3.22Å; C312-N341 PolarHBondContact O-ND2 2.89Å; C312-W344 HydrophobicContact CB-CB 4.11Å; C312-W344 HydrophobicContact CB-CD2 3.69Å; C312-W344 HydrophobicContact CB-CE3 4.39Å; C312-W344 HydrophobicContact CB-CG 3.52Å; C312-W344 WeakPolarHBondContact SG-CB 3.4Å
313N96.5Very high96.5Very high60 Ų6068.8 Ų68.832%0.32135%0.349SS..SBendtrans-67.1135172.5-169.6-54.1000111.1E310 V311 R315 H316 N341E310-N313 HydrophobicContact CB-CB 4.07Å; E310-N313 WeakPolarHBondContact O-CB 3.37Å; E310-N313 PolarHBondContact O-N 3.04Å; E310-N313 PolarHBondContact OE2-ND2 3.46Å; E310-N313 VanDerWaalsContact OE2-ND2 3.16Å; V311-N313 VanDerWaalsContact C-N 3.27Å; V311-N313 PolarHBondContact O-N 2.95Å; N313-R315 HydrophobicContact CB-CG 4.2Å; N313-R315 PolarHBondContact O-N 2.95Å; N313-R315 WeakPolarHBondContact OD1-CG 3.33Å; N313-R315 PolarHBondContact OD1-N 3.29Å; N313-R315 VanDerWaalsContact OD1-N 3.15Å; N313-H316 PolarHBondContact O-N 3.48Å; N313-N341 PolarHBondContact O-ND2 3.4Å
314A94.9Very high96.7Very high81 Ų8166.4 Ų66.467%0.66934%0.336SS*.G310 helixtrans-53.7-25.7-176.500000114.2H316 A317A314-H316 PolarHBondContact O-N 3.36Å; A314-H316 VanDerWaalsContact O-N 3.11Å; A314-A317 WeakPolarHBondContact O-CB 3.39Å; A314-A317 PolarHBondContact O-N 2.94Å; A314-A317 VanDerWaalsContact O-N 3.17Å
315R96.5Very high96.8Very high151 Ų15169.5 Ų69.557%0.5735%0.349SS*.G310 helixtrans-58.2-22.7174.774.6-174.1179.1-177.9-5.5113.6N313N313-R315 HydrophobicContact CB-CG 4.2Å; N313-R315 PolarHBondContact O-N 2.95Å; N313-R315 WeakPolarHBondContact OD1-CG 3.33Å; N313-R315 PolarHBondContact OD1-N 3.29Å; N313-R315 VanDerWaalsContact OD1-N 3.15Å
316H96.4Very high96.6Very high9 Ų971 Ų714%0.04237%0.373CS..G310 helixtrans-93.5-0.2-177.9-62.7-48.4000114.5E310 N313 A314 R318 H319 R337 A338E310-H316 PolarHBondContact O-CD2 2.91Å; N313-H316 PolarHBondContact O-N 3.48Å; A314-H316 PolarHBondContact O-N 3.36Å; A314-H316 VanDerWaalsContact O-N 3.11Å; H316-R318 PolarHBondContact O-N 3.39Å; H316-H319 AromaticContact CE1-CE1 3.98Å; H316-H319 AromaticContact CE1-ND1 3.88Å; H316-H319 AromaticContact ND1-CE1 3.35Å; H316-H319 PolarHBondContact ND1-CE1 2.91Å; H316-H319 VanDerWaalsContact ND1-CE1 3.35Å; H316-H319 AromaticContact ND1-CG 3.9Å; H316-H319 AromaticContact ND1-ND1 3.02Å; H316-H319 PolarHBondContact ND1-ND1 3.38Å; H316-H319 PolarHBondContact O-N 3.22Å; H316-R337 HydrophobicContact CB-CG 4.04Å; H316-A338 WeakPolarHBondContact O-CA 3.43Å
317A96.4Very high96.6Very high49 Ų4969.3 Ų69.341%0.40537%0.367SS..THydrogen-bonded Turntrans-58.8-17.9-17700000114.7A314A314-A317 WeakPolarHBondContact O-CB 3.39Å; A314-A317 PolarHBondContact O-N 2.94Å; A314-A317 VanDerWaalsContact O-N 3.17Å
318R97.1Very high96.4Very high213 Ų21369.2 Ų69.280%0.80437%0.371SS*.THydrogen-bonded Turntrans-121.716.8178.3-61.1-175.7179.3178.9-0.1113.7H316 F320H316-R318 PolarHBondContact O-N 3.39Å; R318-F320 HydrophobicContact CB-CE2 4.3Å; R318-F320 VanDerWaalsContact O-CD2 3.28Å; R318-F320 WeakPolarHBondContact O-CD2 3.26Å; R318-F320 PolarHBondContact O-N 3.21Å
319H96.5Very high96.4Very high74 Ų7466.6 Ų66.634%0.34336%0.355SS..  trans-87.690176.2-73-165.2000110.6H316 L321 R337 A338H316-H319 AromaticContact CE1-CE1 3.98Å; H316-H319 AromaticContact CE1-ND1 3.88Å; H316-H319 AromaticContact ND1-CE1 3.35Å; H316-H319 PolarHBondContact ND1-CE1 2.91Å; H316-H319 VanDerWaalsContact ND1-CE1 3.35Å; H316-H319 AromaticContact ND1-CG 3.9Å; H316-H319 AromaticContact ND1-ND1 3.02Å; H316-H319 PolarHBondContact ND1-ND1 3.38Å; H316-H319 PolarHBondContact O-N 3.22Å; H319-L321 PolarHBondContact O-N 2.67Å; H319-L321 VanDerWaalsContact O-N 3.11Å; H319-R337 HydrophobicContact CB-CB 4.13Å; H319-A338 WeakPolarHBondContact O-CB 3.16Å; H319-A338 PolarHBondContact O-N 3.4Å
320F97.3Very high96.3Very high154 Ų15470.3 Ų70.368%0.67537%0.368SS*.  trans-81.627-179.4-59.3-76.2000114.2R318 A338R318-F320 HydrophobicContact CB-CE2 4.3Å; R318-F320 VanDerWaalsContact O-CD2 3.28Å; R318-F320 WeakPolarHBondContact O-CD2 3.26Å; R318-F320 PolarHBondContact O-N 3.21Å; F320-A338 HydrophobicContact CD1-CB 3.97Å; F320-A338 HydrophobicContact CE1-CB 3.99Å
321L96.4Very high96.3Very high87 Ų8765.9 Ų65.946%0.45535%0.348SS..SBendtrans-95.4165.1171.8-63.6173000109.4H319 E325 T336 R337H319-L321 PolarHBondContact O-N 2.67Å; H319-L321 VanDerWaalsContact O-N 3.11Å; L321-E325 WeakPolarHBondContact CD1-OE1 3.33Å; L321-T336 CarbonylContact O-C 3.45Å; L321-T336 WeakPolarHBondContact O-CA 3.3Å; L321-T336 WeakPolarHBondContact O-CB 3.46Å; L321-R337 PolarHBondContact O-N 3.43Å
322P98Very high96.3Very high50 Ų5066.1 Ų66.133%0.32535%0.349SS..BIsolated β-bridgetrans-46.8153.3169.1-29.737.3000112.1V324 C332P322-V324 PolarHBondContact O-N 2.73Å; P322-C332 HydrophobicContact CB-CB 4.38Å
323V97.7Very high96.4Very high0 Ų068.7 Ų68.70%037%0.368CS..SBendtrans-49.9-47.8178.6-179.80000110.3A293 V311 T331 R337 V340 L355A293-V323 HydrophobicContact CB-CG1 4Å; V311-V323 HydrophobicContact CG1-CG1 4.39Å; V311-V323 HydrophobicContact CG2-CG1 3.72Å; V323-T331 HydrophobicContact CG2-CG2 3.77Å; V323-R337 PolarHBondContact O-NE 3.2Å; V323-R337 PolarHBondContact O-NH2 3.4Å; V323-R337 VanDerWaalsContact O-NH2 3.17Å; V323-V340 HydrophobicContact CG2-CB 4.46Å; V323-V340 HydrophobicContact CG2-CG2 3.67Å; V323-L355 HydrophobicContact CG1-CD2 4.31Å
324V97.5Very high96.5Very high2 Ų270.5 Ų70.51%0.01238%0.377CS..SBendtrans-132.2126.5170.6-175.60000109.1A293 F295 I309 P322 C327 C332 H358A293-V324 HydrophobicContact CB-CG2 3.95Å; F295-V324 HydrophobicContact CB-CG1 3.75Å; F295-V324 HydrophobicContact CD1-CG1 3.82Å; F295-V324 HydrophobicContact CD2-CB 4.49Å; F295-V324 HydrophobicContact CD2-CG1 3.27Å; F295-V324 HydrophobicContact CE1-CG1 4.16Å; F295-V324 HydrophobicContact CE2-CG1 3.65Å; F295-V324 HydrophobicContact CG-CG1 3.34Å; F295-V324 HydrophobicContact CZ-CG1 4.08Å; I309-V324 HydrophobicContact CD1-CG1 4.24Å; I309-V324 HydrophobicContact CD1-CG2 3.82Å; P322-V324 PolarHBondContact O-N 2.73Å; V324-C327 HydrophobicContact CB-CB 4.21Å; V324-C327 HydrophobicContact CG1-CB 4.49Å; V324-C327 PolarHBondContact O-N 3.16Å; V324-C332 PolarHBondContact N-SG 3.01Å; V324-H358 VanDerWaalsContact CG2-CE1 3.45Å; V324-H358 WeakPolarHBondContact CG2-CE1 3.41Å; V324-H358 WeakPolarHBondContact CG2-NE2 3.17Å
325E95.7Very high96.6Very high111 Ų11169.2 Ų69.252%0.51936%0.356SS..THydrogen-bonded Turntrans-70.2137.7178.9-67.7173.4-118.200110.5F295 L321 C327F295-E325 WeakPolarHBondContact CZ-O 3.35Å; L321-E325 WeakPolarHBondContact CD1-OE1 3.33Å; E325-C327 VanDerWaalsContact C-N 3.3Å; E325-C327 PolarHBondContact O-N 2.88Å
326G93.7Very high96.7Very high83 Ų8364 Ų6486%0.85634%0.34SS*.THydrogen-bonded Turntrans82.1-2-176.800000115.4
327C95.8Very high96.8Very high15 Ų1564.9 Ų64.910%0.10134%0.343CS..  trans-91133.2170.9-176.50000110.5V324 E325 C332 H358 Q362V324-C327 HydrophobicContact CB-CB 4.21Å; V324-C327 HydrophobicContact CG1-CB 4.49Å; V324-C327 PolarHBondContact O-N 3.16Å; E325-C327 VanDerWaalsContact C-N 3.3Å; E325-C327 PolarHBondContact O-N 2.88Å; C327-C332 HydrophobicContact CB-CB 3.92Å; C327-C332 WeakPolarHBondContact O-CB 3.35Å; C327-H358 VanDerWaalsContact SG-CE1 3.51Å; C327-H358 PolarHBondContact SG-ND1 3.07Å; C327-H358 VanDerWaalsContact SG-ND1 3.45Å; C327-Q362 PolarHBondContact SG-NE2 3.33Å
328D94.6Very high96.8Very high118 Ų11862.8 Ų62.863%0.63133%0.326SS*.  trans-102.37.1-178.465.4-10.3000113.4S333 H361D328-S333 PolarHBondContact O-OG 3.3Å; D328-H361 IonicContact OD1-CE1 3.55Å; D328-H361 PolarHBondContact OD1-CE1 3.43Å; D328-H361 IonicContact OD1-NE2 3.85Å; D328-H361 PolarHBondContact OD1-NE2 3.03Å
329C96.1Very high96.9Very high3 Ų356.9 Ų56.92%0.0231%0.305CS..SBendtrans-60160.8179.983.60000112.2T331 C332 S333 H358 H361C329-T331 PolarHBondContact O-N 2.78Å; C329-T331 VanDerWaalsContact O-N 3.1Å; C329-C332 PolarHBondContact O-N 3.22Å; C329-C332 VanDerWaalsContact O-N 3.1Å; C329-C332 PolarHBondContact SG-N 2.56Å; C329-S333 WeakPolarHBondContact O-CB 3.48Å; C329-S333 PolarHBondContact O-N 2.8Å; C329-S333 PolarHBondContact O-OG 3.07Å; C329-H358 PolarHBondContact SG-ND1 2.76Å; C329-H358 VanDerWaalsContact SG-ND1 3.39Å; C329-H361 HydrophobicContact CB-CB 3.7Å; C329-H361 WeakPolarHBondContact CB-ND1 3.16Å
330Y96.2Very high97Very high99 Ų9953.3 Ų53.339%0.38829%0.288SS..Hα-helixtrans-48.6-43.3177.9175.5-93.5000112.6T53 N334 Y335 L354T53-Y330 HydrophobicContact CG2-CD1 4.12Å; T53-Y330 HydrophobicContact CG2-CG 3.99Å; Y330-N334 WeakPolarHBondContact O-CB 3.42Å; Y330-N334 PolarHBondContact O-N 3.38Å; Y330-N334 PolarHBondContact O-ND2 3.07Å; Y330-Y335 HydrophobicContact CD1-CE2 4.37Å; Y330-Y335 AromaticContact CE1-CE2 3.7Å; Y330-Y335 HydrophobicContact CE1-CE2 3.7Å; Y330-Y335 PolarHBondContact OH-OH 3.15Å; Y330-L354 HydrophobicContact CD1-CD2 4.43Å; Y330-L354 HydrophobicContact CE1-CD2 4.19Å
331T97.1Very high97.1Very high0 Ų046.5 Ų46.50%026%0.259CS..Hα-helixtrans-65.7-49.2-179.8-58.70000112.3V323 C329 S333 N334 Y335 L354V323-T331 HydrophobicContact CG2-CG2 3.77Å; C329-T331 PolarHBondContact O-N 2.78Å; C329-T331 VanDerWaalsContact O-N 3.1Å; T331-S333 VanDerWaalsContact C-N 3.34Å; T331-S333 PolarHBondContact O-N 3.04Å; T331-N334 PolarHBondContact O-N 2.59Å; T331-Y335 WeakPolarHBondContact O-CB 3.35Å; T331-Y335 PolarHBondContact O-N 3.47Å; T331-L354 HydrophobicContact CG2-CB 3.77Å; T331-L354 HydrophobicContact CG2-CD2 4.35Å; T331-L354 HydrophobicContact CG2-CG 4.49Å; T331-L354 PolarHBondContact OG1-O 2.88Å
332C97.6Very high97.1Very high5 Ų547.3 Ų47.33%0.03426%0.26CS..Hα-helixtrans-71.3-29.8-177-68.80000112.7P322 V324 C327 C329 H358P322-C332 HydrophobicContact CB-CB 4.38Å; V324-C332 PolarHBondContact N-SG 3.01Å; C327-C332 HydrophobicContact CB-CB 3.92Å; C327-C332 WeakPolarHBondContact O-CB 3.35Å; C329-C332 PolarHBondContact O-N 3.22Å; C329-C332 VanDerWaalsContact O-N 3.1Å; C329-C332 PolarHBondContact SG-N 2.56Å; C332-H358 PolarHBondContact SG-ND1 2.9Å
333S96.8Very high97.2Very high79 Ų7945.5 Ų45.555%0.55225%0.248SC*.Hα-helixtrans-75-22.3178.2-66.40000113.8D328 C329 T331D328-S333 PolarHBondContact O-OG 3.3Å; C329-S333 WeakPolarHBondContact O-CB 3.48Å; C329-S333 PolarHBondContact O-N 2.8Å; C329-S333 PolarHBondContact O-OG 3.07Å; T331-S333 VanDerWaalsContact C-N 3.34Å; T331-S333 PolarHBondContact O-N 3.04Å
334N97.3Very high97.2Very high98 Ų9849.6 Ų49.652%0.52426%0.263SS..Hα-helixtrans-118.9-20.5-172.3-65.9-76.6000114.5Y330 T331Y330-N334 WeakPolarHBondContact O-CB 3.42Å; Y330-N334 PolarHBondContact O-N 3.38Å; Y330-N334 PolarHBondContact O-ND2 3.07Å; T331-N334 PolarHBondContact O-N 2.59Å
335Y97.8Very high97.2Very high54 Ų5452.8 Ų52.821%0.21229%0.29CS..  trans-131.5151.2-171.6-55-79.7000112.7Y330 T331 Y339 L354Y330-Y335 HydrophobicContact CD1-CE2 4.37Å; Y330-Y335 AromaticContact CE1-CE2 3.7Å; Y330-Y335 HydrophobicContact CE1-CE2 3.7Å; Y330-Y335 PolarHBondContact OH-OH 3.15Å; T331-Y335 WeakPolarHBondContact O-CB 3.35Å; T331-Y335 PolarHBondContact O-N 3.47Å; Y335-Y339 AromaticContact CD1-CD1 3.34Å; Y335-Y339 HydrophobicContact CD1-CD1 3.34Å; Y335-Y339 AromaticContact CD1-CE1 3.3Å; Y335-Y339 HydrophobicContact CD1-CE1 3.3Å; Y335-Y339 HydrophobicContact CD1-CG 4.43Å; Y335-Y339 HydrophobicContact CE1-CD1 4.14Å; Y335-Y339 AromaticContact CE1-CE1 3.59Å; Y335-Y339 HydrophobicContact CE1-CE1 3.59Å; Y335-Y339 HydrophobicContact CG-CD1 4.02Å; Y335-Y339 HydrophobicContact CG-CE1 4.26Å; Y335-L354 HydrophobicContact CD1-CD1 4.35Å; Y335-L354 HydrophobicContact CD2-CD1 3.93Å; Y335-L354 HydrophobicContact CD2-CD2 3.76Å; Y335-L354 HydrophobicContact CD2-CG 4.5Å; Y335-L354 HydrophobicContact CE1-CD1 4.49Å; Y335-L354 HydrophobicContact CE2-CD1 4.11Å; Y335-L354 HydrophobicContact CE2-CD2 3.47Å; Y335-L354 VanDerWaalsContact CE2-CD2 3.47Å; Y335-L354 HydrophobicContact CE2-CG 4.46Å; Y335-L354 HydrophobicContact CG-CD1 4.03Å
336T98.2Very high97.3Very high41 Ų4150.6 Ų50.625%0.25228%0.284SS..BIsolated β-bridgetrans-92.6158.1176.163.40000111.8L321 A338 Y339 V340L321-T336 CarbonylContact O-C 3.45Å; L321-T336 WeakPolarHBondContact O-CA 3.3Å; L321-T336 WeakPolarHBondContact O-CB 3.46Å; T336-A338 VanDerWaalsContact C-N 3.26Å; T336-A338 PolarHBondContact O-N 3.47Å; T336-Y339 PolarHBondContact O-N 2.89Å; T336-Y339 VanDerWaalsContact O-N 3.13Å; T336-Y339 WeakPolarHBondContact OG1-CB 3.49Å; T336-Y339 PolarHBondContact OG1-N 2.82Å; T336-Y339 VanDerWaalsContact OG1-N 3.15Å; T336-V340 PolarHBondContact O-N 3.49Å; T336-V340 VanDerWaalsContact O-N 3.13Å
337R97.9Very high97.4Very high27 Ų2753.9 Ų53.910%0.10228%0.282CS..Hα-helixtrans-58.1-40.8172.7-161.7-178.1-62.215914.2111.5V311 H316 H319 L321 V323 Y339 V340 N341V311-R337 HydrophobicContact CB-CG 4.47Å; V311-R337 HydrophobicContact CG1-CG 3.82Å; V311-R337 HydrophobicContact CG2-CG 4.35Å; H316-R337 HydrophobicContact CB-CG 4.04Å; H319-R337 HydrophobicContact CB-CB 4.13Å; L321-R337 PolarHBondContact O-N 3.43Å; V323-R337 PolarHBondContact O-NE 3.2Å; V323-R337 PolarHBondContact O-NH2 3.4Å; V323-R337 VanDerWaalsContact O-NH2 3.17Å; R337-Y339 VanDerWaalsContact C-N 3.34Å; R337-Y339 PolarHBondContact O-N 3.49Å; R337-V340 PolarHBondContact O-N 3.3Å; R337-N341 WeakPolarHBondContact O-CB 3.4Å; R337-N341 PolarHBondContact O-N 3.19Å
338A98.2Very high97.5Very high6 Ų658.2 Ų58.25%0.0530%0.301CS..Hα-helixtrans-60.1-40.7174.600000112.8H316 H319 F320 T336 N341 H342H316-A338 WeakPolarHBondContact O-CA 3.43Å; H319-A338 WeakPolarHBondContact O-CB 3.16Å; H319-A338 PolarHBondContact O-N 3.4Å; F320-A338 HydrophobicContact CD1-CB 3.97Å; F320-A338 HydrophobicContact CE1-CB 3.99Å; T336-A338 VanDerWaalsContact C-N 3.26Å; T336-A338 PolarHBondContact O-N 3.47Å; A338-N341 WeakPolarHBondContact O-CB 3.42Å; A338-N341 PolarHBondContact O-N 2.76Å; A338-H342 WeakPolarHBondContact O-CB 3.29Å; A338-H342 PolarHBondContact O-N 3.17Å
339Y98.6Very high97.5Very high88 Ų8857.1 Ų57.135%0.34530%0.295SS..Hα-helixtrans-67.4-45.2178.8179.5-108.5000112.2Y335 T336 R337 N341 H342 L343 L354Y335-Y339 AromaticContact CD1-CD1 3.34Å; Y335-Y339 HydrophobicContact CD1-CD1 3.34Å; Y335-Y339 AromaticContact CD1-CE1 3.3Å; Y335-Y339 HydrophobicContact CD1-CE1 3.3Å; Y335-Y339 HydrophobicContact CD1-CG 4.43Å; Y335-Y339 HydrophobicContact CE1-CD1 4.14Å; Y335-Y339 AromaticContact CE1-CE1 3.59Å; Y335-Y339 HydrophobicContact CE1-CE1 3.59Å; Y335-Y339 HydrophobicContact CG-CD1 4.02Å; Y335-Y339 HydrophobicContact CG-CE1 4.26Å; T336-Y339 PolarHBondContact O-N 2.89Å; T336-Y339 VanDerWaalsContact O-N 3.13Å; T336-Y339 WeakPolarHBondContact OG1-CB 3.49Å; T336-Y339 PolarHBondContact OG1-N 2.82Å; T336-Y339 VanDerWaalsContact OG1-N 3.15Å; R337-Y339 VanDerWaalsContact C-N 3.34Å; R337-Y339 PolarHBondContact O-N 3.49Å; Y339-N341 VanDerWaalsContact C-N 3.3Å; Y339-N341 PolarHBondContact O-N 2.86Å; Y339-H342 WeakPolarHBondContact O-CB 3.39Å; Y339-H342 PolarHBondContact O-N 2.63Å; Y339-L343 HydrophobicContact CD1-CD1 3.95Å; Y339-L343 HydrophobicContact CD1-CG 4.39Å; Y339-L343 HydrophobicContact CE1-CD1 3.46Å; Y339-L343 VanDerWaalsContact CE1-CD1 3.46Å; Y339-L343 HydrophobicContact CE1-CD2 4.46Å; Y339-L343 HydrophobicContact CE1-CG 4.02Å; Y339-L343 HydrophobicContact CE2-CD2 4.29Å; Y339-L343 HydrophobicContact CE2-CG 4.3Å; Y339-L343 WeakPolarHBondContact O-CG 3.38Å; Y339-L343 PolarHBondContact O-N 3.2Å; Y339-L354 HydrophobicContact CE1-CD1 4.46Å
340V98.5Very high97.6Very high0 Ų059.9 Ų59.90%031%0.309CS..Hα-helixtrans-63.1-39.8176.1178.40000111.1V311 V323 T336 R337 L343 W344 L354 L355V311-V340 HydrophobicContact CG1-CB 3.91Å; V311-V340 HydrophobicContact CG1-CG1 3.73Å; V323-V340 HydrophobicContact CG2-CB 4.46Å; V323-V340 HydrophobicContact CG2-CG2 3.67Å; T336-V340 PolarHBondContact O-N 3.49Å; T336-V340 VanDerWaalsContact O-N 3.13Å; R337-V340 PolarHBondContact O-N 3.3Å; V340-L343 PolarHBondContact O-N 2.84Å; V340-W344 PolarHBondContact O-N 3.06Å; V340-L354 HydrophobicContact CG2-CD1 4.12Å; V340-L355 HydrophobicContact CG1-CD1 4.28Å; V340-L355 HydrophobicContact CG1-CD2 4.12Å; V340-L355 HydrophobicContact CG1-CG 3.99Å
341N98.3Very high97.7Very high10 Ų1055.3 Ų55.35%0.05329%0.291CS..Hα-helixtrans-59.8-44.6172.9-175.3-91000112.2V311 C312 N313 R337 A338 Y339 W344 A345V311-N341 PolarHBondContact O-ND2 3.29Å; C312-N341 WeakPolarHBondContact CA-ND2 3.22Å; C312-N341 PolarHBondContact O-ND2 2.89Å; N313-N341 PolarHBondContact O-ND2 3.4Å; R337-N341 WeakPolarHBondContact O-CB 3.4Å; R337-N341 PolarHBondContact O-N 3.19Å; A338-N341 WeakPolarHBondContact O-CB 3.42Å; A338-N341 PolarHBondContact O-N 2.76Å; Y339-N341 VanDerWaalsContact C-N 3.3Å; Y339-N341 PolarHBondContact O-N 2.86Å; N341-W344 WeakPolarHBondContact O-CB 3.3Å; N341-W344 PolarHBondContact O-N 3.48Å; N341-A345 WeakPolarHBondContact O-CB 3.11Å; N341-A345 PolarHBondContact O-N 3.43Å
342H98.3Very high97.7Very high105 Ų10556 Ų5649%0.48630%0.296SS..Hα-helixtrans-60.5-49.6176.8173.367.6000111.6A338 Y339 W344 A345 T346A338-H342 WeakPolarHBondContact O-CB 3.29Å; A338-H342 PolarHBondContact O-N 3.17Å; Y339-H342 WeakPolarHBondContact O-CB 3.39Å; Y339-H342 PolarHBondContact O-N 2.63Å; H342-W344 PolarHBondContact O-N 3.35Å; H342-A345 PolarHBondContact O-N 2.97Å; H342-A345 VanDerWaalsContact O-N 3.09Å; H342-T346 VanDerWaalsContact CE1-CG2 3.46Å; H342-T346 WeakPolarHBondContact CE1-CG2 3.18Å; H342-T346 PolarHBondContact O-N 3.44Å; H342-T346 PolarHBondContact O-OG1 2.7Å; H342-T346 VanDerWaalsContact O-OG1 3.11Å
343L98.4Very high97.7Very high12 Ų1258.1 Ų58.16%0.06331%0.305CS..Hα-helixtrans-55-42.8176.4-70.9176.7000111.5Y339 V340 T346 N347 E348 L350 L354Y339-L343 HydrophobicContact CD1-CD1 3.95Å; Y339-L343 HydrophobicContact CD1-CG 4.39Å; Y339-L343 HydrophobicContact CE1-CD1 3.46Å; Y339-L343 VanDerWaalsContact CE1-CD1 3.46Å; Y339-L343 HydrophobicContact CE1-CD2 4.46Å; Y339-L343 HydrophobicContact CE1-CG 4.02Å; Y339-L343 HydrophobicContact CE2-CD2 4.29Å; Y339-L343 HydrophobicContact CE2-CG 4.3Å; Y339-L343 WeakPolarHBondContact O-CG 3.38Å; Y339-L343 PolarHBondContact O-N 3.2Å; V340-L343 PolarHBondContact O-N 2.84Å; L343-T346 PolarHBondContact O-N 2.98Å; L343-T346 PolarHBondContact O-OG1 3.03Å; L343-N347 PolarHBondContact O-N 3.14Å; L343-E348 HydrophobicContact CB-CB 4.12Å; L343-E348 HydrophobicContact CD2-CB 3.84Å; L343-E348 HydrophobicContact CD2-CG 4.14Å; L343-E348 WeakPolarHBondContact O-CB 3.4Å; L343-E348 PolarHBondContact O-N 2.75Å; L343-L350 HydrophobicContact CD1-CB 4.08Å; L343-L350 HydrophobicContact CD1-CD2 3.93Å; L343-L350 HydrophobicContact CD1-CG 3.89Å; L343-L354 HydrophobicContact CD1-CD1 3.99Å
344W97.7Very high97.7Very high85 Ų8554.6 Ų54.632%0.32228%0.28SS..Hα-helixtrans-63.6-47.8176-178.5-85000112.1G289 C312 V340 N341 H342 T346 N347 V352G289-W344 WeakPolarHBondContact O-CH2 3.39Å; C312-W344 HydrophobicContact CB-CB 4.11Å; C312-W344 HydrophobicContact CB-CD2 3.69Å; C312-W344 HydrophobicContact CB-CE3 4.39Å; C312-W344 HydrophobicContact CB-CG 3.52Å; C312-W344 WeakPolarHBondContact SG-CB 3.4Å; V340-W344 PolarHBondContact O-N 3.06Å; N341-W344 WeakPolarHBondContact O-CB 3.3Å; N341-W344 PolarHBondContact O-N 3.48Å; H342-W344 PolarHBondContact O-N 3.35Å; W344-T346 PolarHBondContact O-N 3.26Å; W344-N347 PolarHBondContact O-N 3.49Å; W344-V352 HydrophobicContact CE3-CG2 4.32Å; W344-V352 HydrophobicContact CZ3-CG2 3.83Å
345A97.4Very high97.8Very high70 Ų7049.9 Ų49.958%0.57926%0.255SS*.Hα-helixtrans-62.3-28.6179.900000112.9N341 H342 N347N341-A345 WeakPolarHBondContact O-CB 3.11Å; N341-A345 PolarHBondContact O-N 3.43Å; H342-A345 PolarHBondContact O-N 2.97Å; H342-A345 VanDerWaalsContact O-N 3.09Å; A345-N347 VanDerWaalsContact C-N 3.34Å
346T97.6Very high97.8Very high64 Ų6447.3 Ų47.339%0.39325%0.245SC..THydrogen-bonded Turntrans-907.8174.959.70000113.7H342 L343 W344 E348H342-T346 VanDerWaalsContact CE1-CG2 3.46Å; H342-T346 WeakPolarHBondContact CE1-CG2 3.18Å; H342-T346 PolarHBondContact O-N 3.44Å; H342-T346 PolarHBondContact O-OG1 2.7Å; H342-T346 VanDerWaalsContact O-OG1 3.11Å; L343-T346 PolarHBondContact O-N 2.98Å; L343-T346 PolarHBondContact O-OG1 3.03Å; W344-T346 PolarHBondContact O-N 3.26Å; T346-E348 VanDerWaalsContact C-N 3.28Å; T346-E348 PolarHBondContact O-N 2.9Å; T346-E348 WeakPolarHBondContact OG1-CG 3.22Å
347N96.4Very high97.8Very high152 Ų15245.6 Ų45.681%0.81323%0.234SC*.THydrogen-bonded Turntrans5932.4-177.5-57.2-66.5000114.4L343 W344 A345L343-N347 PolarHBondContact O-N 3.14Å; W344-N347 PolarHBondContact O-N 3.49Å; A345-N347 VanDerWaalsContact C-N 3.34Å
348E97.8Very high97.8Very high106 Ų10644.3 Ų44.350%0.49523%0.23SC..  trans-84.6122.4174.7-73.7-66.4161.300111L343 T346 L350 S351L343-E348 HydrophobicContact CB-CB 4.12Å; L343-E348 HydrophobicContact CD2-CB 3.84Å; L343-E348 HydrophobicContact CD2-CG 4.14Å; L343-E348 WeakPolarHBondContact O-CB 3.4Å; L343-E348 PolarHBondContact O-N 2.75Å; T346-E348 VanDerWaalsContact C-N 3.28Å; T346-E348 PolarHBondContact O-N 2.9Å; T346-E348 WeakPolarHBondContact OG1-CG 3.22Å; E348-L350 PolarHBondContact O-N 3.12Å; E348-L350 VanDerWaalsContact O-N 3.1Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.34Å; E348-S351 VanDerWaalsContact O-N 3.09Å; E348-S351 PolarHBondContact O-OG 3.15Å
349L96Very high97.8Very high96 Ų9644 Ų4450%0.50323%0.227SC..THydrogen-bonded Turntrans-61.4-22.9-177.9-17363.9000113S351 V352 M353L349-S351 PolarHBondContact O-N 3.44Å; L349-S351 VanDerWaalsContact O-N 3.14Å; L349-V352 HydrophobicContact CD1-CB 4.33Å; L349-V352 HydrophobicContact CD1-CG2 4.44Å; L349-V352 PolarHBondContact O-N 3.41Å; L349-V352 VanDerWaalsContact O-N 3.07Å; L349-M353 PolarHBondContact O-N 2.93Å
350L97.4Very high97.7Very high60 Ų6039.9 Ų39.931%0.31421%0.211SC..Hα-helixtrans-55.7-29.7175.9-176.660.6000112.2L343 E348 V352 M353 L354L343-L350 HydrophobicContact CD1-CB 4.08Å; L343-L350 HydrophobicContact CD1-CD2 3.93Å; L343-L350 HydrophobicContact CD1-CG 3.89Å; E348-L350 PolarHBondContact O-N 3.12Å; E348-L350 VanDerWaalsContact O-N 3.1Å; L350-V352 PolarHBondContact O-N 3.21Å; L350-M353 HydrophobicContact CD1-CB 4.39Å; L350-M353 HydrophobicContact CD1-SD 4.45Å; L350-M353 PolarHBondContact O-N 3.48Å; L350-L354 HydrophobicContact CD1-CD1 4.49Å; L350-L354 HydrophobicContact CD1-CD2 4.47Å; L350-L354 HydrophobicContact CD1-CG 4.09Å; L350-L354 HydrophobicContact CG-CD1 4.1Å; L350-L354 HydrophobicContact CG-CG 4.18Å; L350-L354 WeakPolarHBondContact O-CB 3.47Å; L350-L354 VanDerWaalsContact O-CG 3.31Å; L350-L354 WeakPolarHBondContact O-CG 3.26Å; L350-L354 PolarHBondContact O-N 3.18Å
351S97.7Very high97.6Very high4 Ų440.7 Ų40.73%0.02822%0.215CC..Hα-helixtrans-55.5-52173.557.90000112.1E348 L349 M353 L354 L355E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.34Å; E348-S351 VanDerWaalsContact O-N 3.09Å; E348-S351 PolarHBondContact O-OG 3.15Å; L349-S351 PolarHBondContact O-N 3.44Å; L349-S351 VanDerWaalsContact O-N 3.14Å; S351-M353 PolarHBondContact O-N 3.3Å; S351-L354 PolarHBondContact O-N 3.49Å; S351-L355 WeakPolarHBondContact O-CG 3.46Å; S351-L355 PolarHBondContact O-N 3.01Å
352V97.7Very high97.6Very high15 Ų1540.6 Ų40.69%0.09121%0.214CC..Hα-helixtrans-65-39.6178.6-178.90000111.1W344 L349 L350 L355 T356W344-V352 HydrophobicContact CE3-CG2 4.32Å; W344-V352 HydrophobicContact CZ3-CG2 3.83Å; L349-V352 HydrophobicContact CD1-CB 4.33Å; L349-V352 HydrophobicContact CD1-CG2 4.44Å; L349-V352 PolarHBondContact O-N 3.41Å; L349-V352 VanDerWaalsContact O-N 3.07Å; L350-V352 PolarHBondContact O-N 3.21Å; V352-L355 PolarHBondContact O-N 3.1Å; V352-T356 WeakPolarHBondContact O-CB 3.45Å; V352-T356 PolarHBondContact O-N 3.13Å; V352-T356 PolarHBondContact O-OG1 2.84Å
353M97.5Very high97.5Very high48 Ų4835.6 Ų35.624%0.23619%0.191CC..Hα-helixtrans-61.3-48.1177.6-68.1174.164.300111.5H44 L45 L349 L350 S351 L355 T356 V357H44-M353 HydrophobicContact CB-CG 3.75Å; L45-M353 HydrophobicContact CD2-CB 4.14Å; L45-M353 HydrophobicContact CD2-CE 4.42Å; L45-M353 HydrophobicContact CD2-CG 4.43Å; L349-M353 PolarHBondContact O-N 2.93Å; L350-M353 HydrophobicContact CD1-CB 4.39Å; L350-M353 HydrophobicContact CD1-SD 4.45Å; L350-M353 PolarHBondContact O-N 3.48Å; S351-M353 PolarHBondContact O-N 3.3Å; M353-L355 PolarHBondContact O-N 2.97Å; M353-T356 WeakPolarHBondContact O-CB 3.37Å; M353-T356 PolarHBondContact O-N 3.17Å; M353-V357 WeakPolarHBondContact O-CG2 3.4Å; M353-V357 PolarHBondContact O-N 2.88Å
354L97.7Very high97.4Very high5 Ų535.3 Ų35.33%0.02619%0.19CC..Hα-helixtrans-63.4-40.8179-72.3178.7000112Y330 T331 Y335 Y339 V340 L343 L350 S351 V357 H358Y330-L354 HydrophobicContact CD1-CD2 4.43Å; Y330-L354 HydrophobicContact CE1-CD2 4.19Å; T331-L354 HydrophobicContact CG2-CB 3.77Å; T331-L354 HydrophobicContact CG2-CD2 4.35Å; T331-L354 HydrophobicContact CG2-CG 4.49Å; T331-L354 PolarHBondContact OG1-O 2.88Å; Y335-L354 HydrophobicContact CD1-CD1 4.35Å; Y335-L354 HydrophobicContact CD2-CD1 3.93Å; Y335-L354 HydrophobicContact CD2-CD2 3.76Å; Y335-L354 HydrophobicContact CD2-CG 4.5Å; Y335-L354 HydrophobicContact CE1-CD1 4.49Å; Y335-L354 HydrophobicContact CE2-CD1 4.11Å; Y335-L354 HydrophobicContact CE2-CD2 3.47Å; Y335-L354 VanDerWaalsContact CE2-CD2 3.47Å; Y335-L354 HydrophobicContact CE2-CG 4.46Å; Y335-L354 HydrophobicContact CG-CD1 4.03Å; Y339-L354 HydrophobicContact CE1-CD1 4.46Å; V340-L354 HydrophobicContact CG2-CD1 4.12Å; L343-L354 HydrophobicContact CD1-CD1 3.99Å; L350-L354 HydrophobicContact CD1-CD1 4.49Å; L350-L354 HydrophobicContact CD1-CD2 4.47Å; L350-L354 HydrophobicContact CD1-CG 4.09Å; L350-L354 HydrophobicContact CG-CD1 4.1Å; L350-L354 HydrophobicContact CG-CG 4.18Å; L350-L354 WeakPolarHBondContact O-CB 3.47Å; L350-L354 VanDerWaalsContact O-CG 3.31Å; L350-L354 WeakPolarHBondContact O-CG 3.26Å; L350-L354 PolarHBondContact O-N 3.18Å; S351-L354 PolarHBondContact O-N 3.49Å; L354-V357 PolarHBondContact O-N 2.87Å; L354-H358 PolarHBondContact O-N 2.82Å
355L98.3Very high97.3Very high0 Ų033.4 Ų33.40%019%0.186CC..Hα-helixtrans-67.3-36.4174.6-69.4173.8000112.1A288 A293 V311 V323 V340 S351 V352 M353 H358 N359A288-L355 HydrophobicContact CB-CB 3.78Å; A293-L355 HydrophobicContact CB-CD2 3.97Å; V311-L355 HydrophobicContact CB-CD2 4.31Å; V311-L355 HydrophobicContact CG2-CD2 4.14Å; V323-L355 HydrophobicContact CG1-CD2 4.31Å; V340-L355 HydrophobicContact CG1-CD1 4.28Å; V340-L355 HydrophobicContact CG1-CD2 4.12Å; V340-L355 HydrophobicContact CG1-CG 3.99Å; S351-L355 WeakPolarHBondContact O-CG 3.46Å; S351-L355 PolarHBondContact O-N 3.01Å; V352-L355 PolarHBondContact O-N 3.1Å; M353-L355 PolarHBondContact O-N 2.97Å; L355-H358 PolarHBondContact O-N 2.82Å; L355-N359 WeakPolarHBondContact O-CB 3.41Å; L355-N359 VanDerWaalsContact O-CG 3.24Å; L355-N359 PolarHBondContact O-N 3.44Å
356T98Very high97.2Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-64.1-44.9175.8-58.40000110.6V42 L45 T285 A288 V352 M353 H358 N359 L360V42-T356 HydrophobicContact CG1-CG2 4.18Å; L45-T356 HydrophobicContact CD1-CG2 3.88Å; L45-T356 HydrophobicContact CG-CG2 4.17Å; T285-T356 HydrophobicContact CG2-CG2 4.15Å; A288-T356 WeakPolarHBondContact CB-OG1 3.43Å; V352-T356 WeakPolarHBondContact O-CB 3.45Å; V352-T356 PolarHBondContact O-N 3.13Å; V352-T356 PolarHBondContact O-OG1 2.84Å; M353-T356 WeakPolarHBondContact O-CB 3.37Å; M353-T356 PolarHBondContact O-N 3.17Å; T356-H358 VanDerWaalsContact C-N 3.34Å; T356-H358 PolarHBondContact O-N 2.76Å; T356-N359 PolarHBondContact O-N 3.13Å; T356-L360 HydrophobicContact CG2-CD1 3.84Å; T356-L360 HydrophobicContact CG2-CG 4.27Å; T356-L360 WeakPolarHBondContact O-CB 3.45Å; T356-L360 VanDerWaalsContact O-CG 3.24Å; T356-L360 WeakPolarHBondContact O-CG 3.42Å; T356-L360 PolarHBondContact O-N 3.08Å
357V97.5Very high97.1Very high4 Ų427.1 Ų27.12%0.02414%0.14CC..Hα-helixtrans-57.9-47.4174.4168.70000110.8L45 T53 L55 M353 L354 H361L45-V357 HydrophobicContact CD1-CG2 3.77Å; L45-V357 HydrophobicContact CD2-CG2 3.87Å; T53-V357 HydrophobicContact CG2-CG1 4.02Å; T53-V357 HydrophobicContact CG2-CG2 4.06Å; L55-V357 HydrophobicContact CD1-CB 4.34Å; L55-V357 HydrophobicContact CD1-CG1 4.11Å; L55-V357 HydrophobicContact CD1-CG2 4.19Å; L55-V357 HydrophobicContact CD2-CG1 4.41Å; L55-V357 WeakPolarHBondContact CD2-O 3.4Å; L55-V357 HydrophobicContact CG-CG1 4.41Å; M353-V357 WeakPolarHBondContact O-CG2 3.4Å; M353-V357 PolarHBondContact O-N 2.88Å; L354-V357 PolarHBondContact O-N 2.87Å; V357-H361 WeakPolarHBondContact O-CB 3.31Å; V357-H361 PolarHBondContact O-N 3.05Å
358H97.8Very high96.9Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-62.3-50.5178.217478.6000112.6I294 V324 C327 C329 C332 L354 L355 T356 L360 H361 Q362I294-H358 PolarHBondContact O-NE2 3.13Å; V324-H358 VanDerWaalsContact CG2-CE1 3.45Å; V324-H358 WeakPolarHBondContact CG2-CE1 3.41Å; V324-H358 WeakPolarHBondContact CG2-NE2 3.17Å; C327-H358 VanDerWaalsContact SG-CE1 3.51Å; C327-H358 PolarHBondContact SG-ND1 3.07Å; C327-H358 VanDerWaalsContact SG-ND1 3.45Å; C329-H358 PolarHBondContact SG-ND1 2.76Å; C329-H358 VanDerWaalsContact SG-ND1 3.39Å; C332-H358 PolarHBondContact SG-ND1 2.9Å; L354-H358 PolarHBondContact O-N 2.82Å; L355-H358 PolarHBondContact O-N 2.82Å; T356-H358 VanDerWaalsContact C-N 3.34Å; T356-H358 PolarHBondContact O-N 2.76Å; H358-L360 VanDerWaalsContact C-N 3.34Å; H358-L360 PolarHBondContact O-N 3.15Å; H358-H361 WeakPolarHBondContact O-CB 3.45Å; H358-H361 PolarHBondContact O-N 3.39Å; H358-Q362 WeakPolarHBondContact O-CG 3.45Å; H358-Q362 PolarHBondContact O-N 3.09Å
359N98.2Very high96.7Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-65.7-37.5-176.5-69.5-13.7000111.9A284 A288 N292 A293 I294 L355 T356 Q362 Y363A284-N359 HydrophobicContact CB-CB 3.71Å; A284-N359 WeakPolarHBondContact O-CB 3.49Å; A284-N359 PolarHBondContact O-ND2 3.39Å; A288-N359 PolarHBondContact N-ND2 2.91Å; N292-N359 PolarHBondContact O-ND2 3.38Å; A293-N359 WeakPolarHBondContact CA-OD1 3.32Å; I294-N359 HydrophobicContact CD1-CB 4.2Å; I294-N359 PolarHBondContact N-OD1 3.32Å; L355-N359 WeakPolarHBondContact O-CB 3.41Å; L355-N359 VanDerWaalsContact O-CG 3.24Å; L355-N359 PolarHBondContact O-N 3.44Å; T356-N359 PolarHBondContact O-N 3.13Å; N359-Q362 PolarHBondContact O-N 3.14Å; N359-Y363 PolarHBondContact O-N 3.11Å
360L97.7Very high96.5Very high1 Ų113.8 Ų13.81%0.0057%0.069CC..Hα-helixtrans-67-38.6173.9-70.8176.8000112.1L35 V42 L45 L55 A284 T356 H358 Q362 Y363 L364L35-L360 HydrophobicContact CD1-CD1 4.16Å; L35-L360 HydrophobicContact CD1-CD2 3.85Å; V42-L360 HydrophobicContact CG1-CD1 3.53Å; L45-L360 HydrophobicContact CD1-CD1 4.13Å; L55-L360 HydrophobicContact CD2-CB 4.37Å; A284-L360 HydrophobicContact CB-CD2 4.06Å; T356-L360 HydrophobicContact CG2-CD1 3.84Å; T356-L360 HydrophobicContact CG2-CG 4.27Å; T356-L360 WeakPolarHBondContact O-CB 3.45Å; T356-L360 VanDerWaalsContact O-CG 3.24Å; T356-L360 WeakPolarHBondContact O-CG 3.42Å; T356-L360 PolarHBondContact O-N 3.08Å; H358-L360 VanDerWaalsContact C-N 3.34Å; H358-L360 PolarHBondContact O-N 3.15Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.26Å; L360-Y363 PolarHBondContact O-N 3.31Å; L360-L364 WeakPolarHBondContact O-CB 3.44Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.44Å; L360-L364 PolarHBondContact O-N 2.91Å
361H96.7Very high96.2Very high18 Ų1811.5 Ų11.58%0.0836%0.056CC..Hα-helixtrans-56.4-47.4172.6175.6110.1000110.5L55 L58 D328 C329 V357 H358 Y363 L364 N365L55-H361 HydrophobicContact CD2-CB 3.73Å; L58-H361 HydrophobicContact CD2-CB 4.3Å; L58-H361 WeakPolarHBondContact CD2-ND1 3.37Å; L58-H361 VanDerWaalsContact CD2-O 3.31Å; L58-H361 WeakPolarHBondContact CD2-O 3.43Å; D328-H361 IonicContact OD1-CE1 3.55Å; D328-H361 PolarHBondContact OD1-CE1 3.43Å; D328-H361 IonicContact OD1-NE2 3.85Å; D328-H361 PolarHBondContact OD1-NE2 3.03Å; C329-H361 HydrophobicContact CB-CB 3.7Å; C329-H361 WeakPolarHBondContact CB-ND1 3.16Å; V357-H361 WeakPolarHBondContact O-CB 3.31Å; V357-H361 PolarHBondContact O-N 3.05Å; H358-H361 WeakPolarHBondContact O-CB 3.45Å; H358-H361 PolarHBondContact O-N 3.39Å; H361-Y363 PolarHBondContact O-N 3.07Å; H361-L364 PolarHBondContact O-N 2.71Å; H361-N365 WeakPolarHBondContact O-CB 3.45Å; H361-N365 PolarHBondContact O-N 2.97Å
362Q97.4Very high95.8Very high7 Ų713.8 Ų13.83%0.0338%0.076CC..Hα-helixtrans-59.9-46.6178.3-66-66.7-44.800111.7I294 L296 C327 H358 N359 L360 N365 M366I294-Q362 WeakPolarHBondContact O-CG 3.39Å; L296-Q362 WeakPolarHBondContact CD1-O 3.36Å; C327-Q362 PolarHBondContact SG-NE2 3.33Å; H358-Q362 WeakPolarHBondContact O-CG 3.45Å; H358-Q362 PolarHBondContact O-N 3.09Å; N359-Q362 PolarHBondContact O-N 3.14Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.26Å; Q362-N365 PolarHBondContact O-N 3.13Å; Q362-M366 WeakPolarHBondContact O-CB 3.5Å; Q362-M366 PolarHBondContact O-N 3.17Å
363Y97.2Very high95.4Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-65.2-41.4178.8-94.6-118.4000113L33 F263 N264 P265 I268 F283 A284 I294 N359 L360 H361 M366 F367L33-Y363 HydrophobicContact CD1-CD1 3.9Å; F263-Y363 PolarHBondContact O-OH 3.02Å; N264-Y363 WeakPolarHBondContact CA-OH 3.41Å; P265-Y363 WeakPolarHBondContact CD-OH 3.11Å; P265-Y363 HydrophobicContact CG-CE2 4.19Å; I268-Y363 HydrophobicContact CD1-CD1 4.39Å; I268-Y363 HydrophobicContact CD1-CE1 3.61Å; F283-Y363 HydrophobicContact CB-CE1 4.42Å; F283-Y363 WeakPolarHBondContact CB-OH 3.42Å; F283-Y363 HydrophobicContact CD1-CE2 4.05Å; F283-Y363 AromaticContact CD1-CZ 3.79Å; F283-Y363 WeakPolarHBondContact CD1-OH 3.35Å; F283-Y363 WeakPolarHBondContact CG-OH 3.36Å; A284-Y363 HydrophobicContact CB-CD2 4Å; A284-Y363 HydrophobicContact CB-CE2 4.34Å; A284-Y363 HydrophobicContact CB-CG 4.17Å; I294-Y363 HydrophobicContact CD1-CD2 4.38Å; I294-Y363 HydrophobicContact CD1-CE2 3.76Å; N359-Y363 PolarHBondContact O-N 3.11Å; L360-Y363 PolarHBondContact O-N 3.31Å; H361-Y363 PolarHBondContact O-N 3.07Å; Y363-M366 HydrophobicContact CD1-CE 3.87Å; Y363-M366 HydrophobicContact CE1-CE 4.01Å; Y363-M366 HydrophobicContact CG-CE 4.16Å; Y363-M366 WeakPolarHBondContact O-CB 3.4Å; Y363-M366 PolarHBondContact O-N 3.16Å; Y363-F367 WeakPolarHBondContact O-CD2 3.39Å; Y363-F367 PolarHBondContact O-N 2.91Å
364L96.4Very high94.7Very high7 Ų712.1 Ų12.14%0.0377%0.07CC..Hα-helixtrans-64.7-44.3177.4-70.6167.5000110.9L33 L55 L58 A59 T63 L360 H361 M366 F367 V368L33-L364 HydrophobicContact CD2-CD2 3.83Å; L33-L364 HydrophobicContact CD2-CG 4.2Å; L55-L364 HydrophobicContact CB-CD1 4.29Å; L55-L364 HydrophobicContact CD2-CD1 4.44Å; L55-L364 VanDerWaalsContact O-CD1 3.29Å; L55-L364 WeakPolarHBondContact O-CD1 3.27Å; L58-L364 HydrophobicContact CB-CB 4.42Å; L58-L364 HydrophobicContact CD2-CB 4.11Å; L58-L364 HydrophobicContact CG-CB 4.37Å; A59-L364 HydrophobicContact CB-CD2 4.04Å; T63-L364 HydrophobicContact CG2-CD2 4.47Å; L360-L364 WeakPolarHBondContact O-CB 3.44Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.44Å; L360-L364 PolarHBondContact O-N 2.91Å; H361-L364 PolarHBondContact O-N 2.71Å; L364-M366 VanDerWaalsContact C-N 3.33Å; L364-M366 PolarHBondContact O-N 3.03Å; L364-F367 PolarHBondContact O-N 3.04Å; L364-V368 PolarHBondContact O-N 2.96Å
365N94.8Very high93.9Very high45 Ų4514.9 Ų14.924%0.2418%0.083CC..Hα-helixtrans-63-38.9175-169.631.2000112.2L58 H361 Q362 F367 V368 R369L58-N365 HydrophobicContact CD2-CB 4.06Å; L58-N365 HydrophobicContact CG-CB 4.49Å; H361-N365 WeakPolarHBondContact O-CB 3.45Å; H361-N365 PolarHBondContact O-N 2.97Å; Q362-N365 PolarHBondContact O-N 3.13Å; N365-F367 VanDerWaalsContact C-N 3.28Å; N365-F367 PolarHBondContact O-N 3.45Å; N365-V368 WeakPolarHBondContact O-CB 3.42Å; N365-V368 PolarHBondContact O-N 3.43Å; N365-V368 VanDerWaalsContact O-N 3.14Å; N365-R369 WeakPolarHBondContact O-CG 3.39Å; N365-R369 PolarHBondContact O-N 3.47Å
366M95.4Very high93.2Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-50.8-49.5175.9-164.6174.955.900111.6P265 I268 L296 F300 Q362 Y363 L364 R369 I370P265-M366 HydrophobicContact CB-SD 3.66Å; P265-M366 HydrophobicContact CG-SD 4.09Å; I268-M366 HydrophobicContact CB-CE 4.43Å; I268-M366 HydrophobicContact CD1-CE 3.53Å; I268-M366 HydrophobicContact CG2-CE 4.12Å; L296-M366 HydrophobicContact CD1-CB 3.65Å; L296-M366 HydrophobicContact CD1-CG 3.88Å; L296-M366 HydrophobicContact CD1-SD 4.49Å; L296-M366 HydrophobicContact CD2-CG 4.48Å; L296-M366 HydrophobicContact CD2-SD 4.15Å; F300-M366 HydrophobicContact CD1-CG 3.99Å; F300-M366 HydrophobicContact CE1-CB 4.38Å; F300-M366 HydrophobicContact CE1-CG 3.16Å; F300-M366 HydrophobicContact CE1-SD 4.05Å; F300-M366 HydrophobicContact CE2-CG 4.39Å; F300-M366 HydrophobicContact CE2-SD 4.36Å; F300-M366 HydrophobicContact CZ-CG 3.39Å; F300-M366 HydrophobicContact CZ-SD 3.61Å; Q362-M366 WeakPolarHBondContact O-CB 3.5Å; Q362-M366 PolarHBondContact O-N 3.17Å; Y363-M366 HydrophobicContact CD1-CE 3.87Å; Y363-M366 HydrophobicContact CE1-CE 4.01Å; Y363-M366 HydrophobicContact CG-CE 4.16Å; Y363-M366 WeakPolarHBondContact O-CB 3.4Å; Y363-M366 PolarHBondContact O-N 3.16Å; L364-M366 VanDerWaalsContact C-N 3.33Å; L364-M366 PolarHBondContact O-N 3.03Å; M366-R369 PolarHBondContact O-N 2.88Å; M366-I370 HydrophobicContact CG-CD1 4.03Å; M366-I370 VanDerWaalsContact O-CG1 3.31Å; M366-I370 WeakPolarHBondContact O-CG1 3.4Å; M366-I370 PolarHBondContact O-N 2.94Å
367F94.9Very high92.2Very high2 Ų221.4 Ų21.41%0.00913%0.127CC..Hα-helixtrans-72-31.1-177.9-85.8-88.7000112.8P31 L33 I268 F279 Y363 L364 N365 R369 R371P31-F367 HydrophobicContact CB-CD1 4.17Å; P31-F367 HydrophobicContact CB-CE1 3.87Å; P31-F367 WeakPolarHBondContact O-CD1 3.38Å; L33-F367 HydrophobicContact CB-CD1 4.46Å; L33-F367 HydrophobicContact CB-CD2 3.59Å; L33-F367 HydrophobicContact CB-CE2 3.85Å; L33-F367 HydrophobicContact CB-CG 3.92Å; L33-F367 HydrophobicContact CB-CZ 4.41Å; L33-F367 HydrophobicContact CD1-CD2 4.06Å; L33-F367 HydrophobicContact CD1-CE2 3.62Å; L33-F367 HydrophobicContact CD1-CZ 4.36Å; L33-F367 HydrophobicContact CD2-CD2 4.45Å; L33-F367 HydrophobicContact CG-CD2 4.25Å; L33-F367 HydrophobicContact CG-CE2 4.27Å; I268-F367 HydrophobicContact CD1-CE2 4.4Å; I268-F367 HydrophobicContact CG2-CE1 4.49Å; I268-F367 HydrophobicContact CG2-CE2 4.15Å; I268-F367 HydrophobicContact CG2-CZ 3.69Å; F279-F367 HydrophobicContact CB-CE1 4.32Å; F279-F367 HydrophobicContact CB-CE2 4.35Å; F279-F367 HydrophobicContact CB-CZ 3.55Å; F279-F367 AromaticContact CD2-CE1 3.59Å; F279-F367 HydrophobicContact CD2-CE1 3.59Å; F279-F367 AromaticContact CD2-CZ 3.52Å; F279-F367 HydrophobicContact CD2-CZ 3.52Å; F279-F367 HydrophobicContact CE2-CE1 4.34Å; F279-F367 HydrophobicContact CE2-CZ 4.46Å; F279-F367 HydrophobicContact CG-CE1 4.26Å; F279-F367 AromaticContact CG-CZ 3.71Å; F279-F367 HydrophobicContact CG-CZ 3.71Å; Y363-F367 WeakPolarHBondContact O-CD2 3.39Å; Y363-F367 PolarHBondContact O-N 2.91Å; L364-F367 PolarHBondContact O-N 3.04Å; N365-F367 VanDerWaalsContact C-N 3.28Å; N365-F367 PolarHBondContact O-N 3.45Å; F367-R369 VanDerWaalsContact C-N 3.35Å; F367-R371 VanDerWaalsContact O-CG 3.31Å; F367-R371 WeakPolarHBondContact O-CG 3.49Å; F367-R371 PolarHBondContact O-N 3.42Å; F367-R371 PolarHBondContact O-NH1 2.92Å
368V93.7Very high90.5Very high16 Ų1624.1 Ų24.110%0.09714%0.139CC..Hα-helixtrans-61-46.4168.8172.20000110.6L58 K60 L364 N365 R371 A372L58-V368 VanDerWaalsContact O-CG2 3.22Å; L58-V368 WeakPolarHBondContact O-CG2 3.15Å; K60-V368 HydrophobicContact CB-CG2 4.41Å; K60-V368 HydrophobicContact CD-CG1 3.86Å; K60-V368 HydrophobicContact CD-CG2 4.28Å; K60-V368 HydrophobicContact CG-CG2 4.19Å; L364-V368 PolarHBondContact O-N 2.96Å; N365-V368 WeakPolarHBondContact O-CB 3.42Å; N365-V368 PolarHBondContact O-N 3.43Å; N365-V368 VanDerWaalsContact O-N 3.14Å; V368-R371 PolarHBondContact O-N 3.11Å; V368-A372 WeakPolarHBondContact O-CB 3.33Å; V368-A372 PolarHBondContact O-N 3.29Å
369R93.2Very high88.3Confident49 Ų4934.5 Ų34.519%0.18518%0.18CC..Hα-helixtrans-67.8-39.8-179.3-65.6167.967.8177.59.3112.3N297 T298 F300 N365 M366 F367 A372 A373N297-R369 PolarHBondContact O-NH1 2.92Å; N297-R369 VanDerWaalsContact O-NH1 3.09Å; N297-R369 PolarHBondContact O-NH2 3.18Å; T298-R369 PolarHBondContact O-NH2 3.35Å; F300-R369 VanDerWaalsContact CB-NH2 3.34Å; F300-R369 PolarHBondContact O-NE 2.89Å; F300-R369 PolarHBondContact O-NH2 3.4Å; N365-R369 WeakPolarHBondContact O-CG 3.39Å; N365-R369 PolarHBondContact O-N 3.47Å; M366-R369 PolarHBondContact O-N 2.88Å; F367-R369 VanDerWaalsContact C-N 3.35Å; R369-A372 PolarHBondContact O-N 3.18Å; R369-A373 WeakPolarHBondContact O-CB 3.4Å; R369-A373 PolarHBondContact O-N 3.05Å
370I92.2Very high87.8Confident9 Ų936.3 Ų36.35%0.04619%0.189CC..Hα-helixtrans-58.7-52.4173.3-71.4166.9000109.9P31 I268 F300 P301 M366 A372 A373 V374P31-I370 HydrophobicContact CB-CG2 4.4Å; P31-I370 HydrophobicContact CG-CG2 3.99Å; I268-I370 HydrophobicContact CG2-CD1 4.24Å; F300-I370 HydrophobicContact CE1-CD1 3.98Å; F300-I370 HydrophobicContact CE1-CG1 3.84Å; F300-I370 HydrophobicContact CZ-CD1 4.4Å; P301-I370 HydrophobicContact CB-CG1 4.07Å; P301-I370 HydrophobicContact CG-CG1 4.34Å; M366-I370 HydrophobicContact CG-CD1 4.03Å; M366-I370 VanDerWaalsContact O-CG1 3.31Å; M366-I370 WeakPolarHBondContact O-CG1 3.4Å; M366-I370 PolarHBondContact O-N 2.94Å; I370-A372 VanDerWaalsContact C-N 3.33Å; I370-A372 PolarHBondContact O-N 2.91Å; I370-A373 PolarHBondContact O-N 3.15Å; I370-V374 HydrophobicContact CG2-CG2 4.06Å; I370-V374 WeakPolarHBondContact O-CB 3.46Å; I370-V374 WeakPolarHBondContact O-CG2 3.44Å; I370-V374 PolarHBondContact O-N 3.39Å
371R90.7Very high87.3Confident12 Ų1238.1 Ų38.15%0.04520%0.198CC..Hα-helixtrans-62.8-40-179-69.1-166.5-54.4-84.71.3112.6A59 F367 V368 V374 E375A59-R371 PolarHBondContact O-NH2 3.09Å; F367-R371 VanDerWaalsContact O-CG 3.31Å; F367-R371 WeakPolarHBondContact O-CG 3.49Å; F367-R371 PolarHBondContact O-N 3.42Å; F367-R371 PolarHBondContact O-NH1 2.92Å; V368-R371 PolarHBondContact O-N 3.11Å; R371-V374 PolarHBondContact O-N 2.83Å; R371-E375 VanDerWaalsContact O-CB 3.28Å; R371-E375 WeakPolarHBondContact O-CB 3.48Å; R371-E375 PolarHBondContact O-N 2.98Å
372A89.7Confident86.7Confident52 Ų5239.2 Ų39.243%0.4321%0.205SC..Hα-helixtrans-63.1-43.4175.500000112.3V368 R369 I370 V374 E375 A376V368-A372 WeakPolarHBondContact O-CB 3.33Å; V368-A372 PolarHBondContact O-N 3.29Å; R369-A372 PolarHBondContact O-N 3.18Å; I370-A372 VanDerWaalsContact C-N 3.33Å; I370-A372 PolarHBondContact O-N 2.91Å; A372-V374 VanDerWaalsContact C-N 3.35Å; A372-E375 PolarHBondContact O-N 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.46Å; A372-A376 PolarHBondContact O-N 3.26Å
373A87.7Confident86.1Confident23 Ų2341.1 Ų41.119%0.1922%0.215CC..Hα-helixtrans-65.6-39.9176.400000111.7P301 R369 I370 N377P301-A373 HydrophobicContact CG-CB 3.56Å; R369-A373 WeakPolarHBondContact O-CB 3.4Å; R369-A373 PolarHBondContact O-N 3.05Å; I370-A373 PolarHBondContact O-N 3.15Å; A373-N377 PolarHBondContact O-N 3.43Å; A373-N377 PolarHBondContact O-ND2 2.92Å
374V83Confident85.4Confident4 Ų443.7 Ų43.72%0.02423%0.228CC..Hα-helixtrans-63.5-47.4176.4175.60000110.2V12 C15 I370 R371 A372 N377 F378V12-V374 HydrophobicContact CG1-CB 3.76Å; V12-V374 HydrophobicContact CG1-CG1 3.73Å; V12-V374 HydrophobicContact CG1-CG2 3.43Å; V12-V374 VanDerWaalsContact CG1-CG2 3.43Å; C15-V374 HydrophobicContact CB-CG1 3.59Å; I370-V374 HydrophobicContact CG2-CG2 4.06Å; I370-V374 WeakPolarHBondContact O-CB 3.46Å; I370-V374 WeakPolarHBondContact O-CG2 3.44Å; I370-V374 PolarHBondContact O-N 3.39Å; R371-V374 PolarHBondContact O-N 2.83Å; A372-V374 VanDerWaalsContact C-N 3.35Å; V374-N377 PolarHBondContact O-N 3.35Å; V374-F378 HydrophobicContact CG1-CD2 3.89Å; V374-F378 HydrophobicContact CG1-CE2 3.45Å; V374-F378 VanDerWaalsContact CG1-CE2 3.45Å; V374-F378 WeakPolarHBondContact O-CD2 3.42Å; V374-F378 PolarHBondContact O-N 2.97Å
375E81.4Confident84.7Confident63 Ų6346.1 Ų46.129%0.29424%0.241SC..Hα-helixtrans-62.5-43.2178.6-176.4159.2-136.400112.6R6 R371 A372 N377 F378 Y379R6-E375 IonicContact CZ-OE1 3.63Å; R6-E375 IonicContact NH1-OE1 3.68Å; R6-E375 PolarHBondContact NH1-OE1 3.29Å; R6-E375 IonicContact NH2-OE1 3.58Å; R371-E375 VanDerWaalsContact O-CB 3.28Å; R371-E375 WeakPolarHBondContact O-CB 3.48Å; R371-E375 PolarHBondContact O-N 2.98Å; A372-E375 PolarHBondContact O-N 3.29Å; E375-N377 PolarHBondContact O-N 3.11Å; E375-F378 PolarHBondContact O-N 3.15Å; E375-F378 VanDerWaalsContact O-N 3.1Å; E375-Y379 HydrophobicContact CG-CD2 4.21Å; E375-Y379 HydrophobicContact CG-CE2 3.75Å; E375-Y379 VanDerWaalsContact O-CD2 3.23Å; E375-Y379 WeakPolarHBondContact O-CD2 3.46Å
376A84Confident84Confident66 Ų6646.2 Ų46.255%0.54524%0.241SC..Hα-helixtrans-63.5-25178.600000113.9A372A372-A376 WeakPolarHBondContact O-CB 3.46Å; A372-A376 PolarHBondContact O-N 3.26Å
377N76.7Confident83.1Confident72 Ų7249.8 Ų49.839%0.38526%0.259SS..Hα-helixtrans-89.7-10.6176.6-71.6-69.7000113.3M9 V12 A373 V374 E375M9-N377 HydrophobicContact CE-CB 3.86Å; M9-N377 HydrophobicContact SD-CB 3.37Å; M9-N377 WeakPolarHBondContact SD-CB 3.28Å; V12-N377 HydrophobicContact CG2-CB 4.27Å; A373-N377 PolarHBondContact O-N 3.43Å; A373-N377 PolarHBondContact O-ND2 2.92Å; V374-N377 PolarHBondContact O-N 3.35Å; E375-N377 PolarHBondContact O-N 3.11Å
378F62.6Low82.1Confident61 Ų6153.8 Ų53.827%0.26828%0.28SS..Hα-helixtrans-84.9-11.7172.9-82.6-65.3000113.5G7 M9 C15 V374 E375G7-F378 WeakPolarHBondContact O-CZ 3.34Å; M9-F378 HydrophobicContact CB-CE1 4.09Å; M9-F378 HydrophobicContact CB-CZ 4.03Å; C15-F378 HydrophobicContact CB-CE2 3.83Å; V374-F378 HydrophobicContact CG1-CD2 3.89Å; V374-F378 HydrophobicContact CG1-CE2 3.45Å; V374-F378 VanDerWaalsContact CG1-CE2 3.45Å; V374-F378 WeakPolarHBondContact O-CD2 3.42Å; V374-F378 PolarHBondContact O-N 2.97Å; E375-F378 PolarHBondContact O-N 3.15Å; E375-F378 VanDerWaalsContact O-N 3.1Å
379Y50.4Low81Confident218 Ų21857.2 Ų57.286%0.85530%0.297SS*.  trans-107.10174.1-68-72.9000109.8R6 E375R6-Y379 VanDerWaalsContact NH2-CE2 3.3Å; R6-Y379 PolarHBondContact NH2-OH 3.17Å; E375-Y379 HydrophobicContact CG-CD2 4.21Å; E375-Y379 HydrophobicContact CG-CE2 3.75Å; E375-Y379 VanDerWaalsContact O-CD2 3.23Å; E375-Y379 WeakPolarHBondContact O-CD2 3.46Å

Retrieved 379 of 379 residues in 186.1 ms (Link to these results)

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