A0A077YX80_TRITR Loading...

Embryonic fatty acid-binding protein Bm-FAB-1

AlphaFold DB , UniProt , Accession A0A077YX80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M80.9Confident86.5Confident24 Ų2451.9 Ų51.912%0.11826%0.26CS..  0-48.80-171.955.2-176.800111.3N3 L4 F46 F54 F70 I72 F92 L99M1-N3 PolarHBondContact O-N 3.31Å; M1-N3 VanDerWaalsContact O-N 3.12Å; M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.38Å; M1-L4 HydrophobicContact SD-CD1 4.23Å; M1-F46 HydrophobicContact CE-CD1 4.24Å; M1-F54 HydrophobicContact CB-CZ 4.46Å; M1-F54 HydrophobicContact CE-CB 4.33Å; M1-F54 HydrophobicContact CE-CD1 3.54Å; M1-F54 HydrophobicContact CE-CE1 3.92Å; M1-F54 HydrophobicContact CE-CG 3.87Å; M1-F54 HydrophobicContact CG-CD1 4.13Å; M1-F54 HydrophobicContact CG-CE1 3.49Å; M1-F54 VanDerWaalsContact CG-CE1 3.49Å; M1-F54 HydrophobicContact CG-CE2 4.32Å; M1-F54 HydrophobicContact CG-CZ 3.6Å; M1-F70 HydrophobicContact CE-CZ 4.27Å; M1-I72 HydrophobicContact SD-CD1 4.35Å; M1-F92 HydrophobicContact CB-CD2 4.18Å; M1-F92 HydrophobicContact CB-CE2 4.46Å; M1-F92 HydrophobicContact CB-CG 4.27Å; M1-F92 HydrophobicContact SD-CD2 4.49Å; M1-L99 HydrophobicContact CE-CD2 4.15Å; M1-L99 HydrophobicContact SD-CD1 4.06Å; M1-L99 HydrophobicContact SD-CD2 4.12Å
2E81.9Confident85.8Confident129 Ų12950.3 Ų50.360%0.60326%0.261SS*.G310 helixtrans-56.4-33.1-174.4-59.9-170152.600114.3L4 L5 K48E2-L4 PolarHBondContact O-N 2.61Å; E2-L5 WeakPolarHBondContact O-CB 3.32Å; E2-L5 WeakPolarHBondContact O-CG 3.43Å; E2-L5 PolarHBondContact O-N 2.92Å; E2-K48 IonicContact OE1-NZ 3.21Å; E2-K48 PolarHBondContact OE1-NZ 2.91Å
3N86.1Confident85.1Confident110 Ų11049.9 Ų49.959%0.58826%0.262SS*.G310 helixtrans-62.2-28.6175.3-62.3-19.2000113.7M1 L5 Y8 L119M1-N3 PolarHBondContact O-N 3.31Å; M1-N3 VanDerWaalsContact O-N 3.12Å; N3-L5 VanDerWaalsContact C-N 3.29Å; N3-Y8 PolarHBondContact O-OH 2.91Å; N3-L119 HydrophobicContact CB-CD1 4.03Å; N3-L119 VanDerWaalsContact O-CD1 3.25Å; N3-L119 WeakPolarHBondContact O-CD1 3.35Å
4L88.7Confident84.5Confident4 Ų452.5 Ų52.52%0.02127%0.272CS..G310 helixtrans-81.8-6.1-179.6-66.9168.1000112.9M1 E2 Y8 F46 F92 L99 L119 L124M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.38Å; M1-L4 HydrophobicContact SD-CD1 4.23Å; E2-L4 PolarHBondContact O-N 2.61Å; L4-Y8 VanDerWaalsContact C-OH 3.31Å; L4-Y8 VanDerWaalsContact O-CE2 3.3Å; L4-Y8 WeakPolarHBondContact O-CE2 3.39Å; L4-Y8 PolarHBondContact O-OH 2.91Å; L4-Y8 VanDerWaalsContact O-OH 3.14Å; L4-F46 WeakPolarHBondContact O-CB 3.37Å; L4-F92 HydrophobicContact CD1-CE2 4.31Å; L4-L99 HydrophobicContact CD1-CB 3.58Å; L4-L99 HydrophobicContact CD1-CD2 4.32Å; L4-L119 HydrophobicContact CD2-CD2 4.31Å; L4-L119 HydrophobicContact CD2-CG 3.91Å; L4-L124 HydrophobicContact CD2-CD1 3.61Å
5L91.1Very high84Confident55 Ų5555.1 Ų55.129%0.28829%0.287SS..  trans-70133.9179.9-62.2177.5000110.5E2 N3 F46 K48 F54E2-L5 WeakPolarHBondContact O-CB 3.32Å; E2-L5 WeakPolarHBondContact O-CG 3.43Å; E2-L5 PolarHBondContact O-N 2.92Å; N3-L5 VanDerWaalsContact C-N 3.29Å; L5-F46 WeakPolarHBondContact CA-O 3.23Å; L5-F46 HydrophobicContact CD2-CB 4.33Å; L5-K48 HydrophobicContact CD1-CB 3.93Å; L5-K48 HydrophobicContact CD1-CD 4.5Å; L5-K48 HydrophobicContact CD2-CB 4.13Å; L5-F54 HydrophobicContact CD2-CD1 4.1Å; L5-F54 HydrophobicContact CD2-CE1 4.22Å
6G91Very high83.2Confident27 Ų2752.2 Ų52.228%0.27827%0.271SS..EExtended strand (participates in β ladder)trans139.4-174.6179.600000113.1E45 F46G6-E45 WeakPolarHBondContact O-CA 3.05Å; G6-F46 PolarHBondContact N-O 3.46Å; G6-F46 PolarHBondContact O-N 3.48Å
7K91.4Very high82.3Confident88 Ų8852.9 Ų52.938%0.38327%0.273SS..EExtended strand (participates in β ladder)trans-115124.4-178.7-173.2172.9-172159.50110.1V43 R44 E45 M143K7-V43 HydrophobicContact CD-CG1 4.31Å; K7-V43 HydrophobicContact CG-CG1 3.94Å; K7-R44 CarbonylContact C-O 3.51Å; K7-R44 WeakPolarHBondContact CA-O 3.32Å; K7-E45 HydrophobicContact CB-CG 4.43Å; K7-M143 HydrophobicContact CD-SD 4.44Å
8Y89.9Confident81.7Confident5 Ų552.4 Ų52.42%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-119.4135.8-174.3-55.4-92.8000109.1N3 L4 V43 R44 F46 L119 L124 I140 S141N3-Y8 PolarHBondContact O-OH 2.91Å; L4-Y8 VanDerWaalsContact C-OH 3.31Å; L4-Y8 VanDerWaalsContact O-CE2 3.3Å; L4-Y8 WeakPolarHBondContact O-CE2 3.39Å; L4-Y8 PolarHBondContact O-OH 2.91Å; L4-Y8 VanDerWaalsContact O-OH 3.14Å; Y8-V43 CarbonylContact O-C 3.55Å; Y8-V43 WeakPolarHBondContact O-CA 3.2Å; Y8-R44 PolarHBondContact N-O 3.5Å; Y8-R44 PolarHBondContact O-N 2.97Å; Y8-F46 HydrophobicContact CE2-CD2 4.32Å; Y8-L119 HydrophobicContact CE1-CD2 3.88Å; Y8-L124 HydrophobicContact CD1-CB 3.51Å; Y8-L124 HydrophobicContact CD1-CD2 4.35Å; Y8-L124 HydrophobicContact CD2-CB 4.35Å; Y8-L124 HydrophobicContact CD2-CD2 3.69Å; Y8-L124 HydrophobicContact CE1-CB 3.77Å; Y8-L124 HydrophobicContact CE2-CD2 4.15Å; Y8-L124 HydrophobicContact CG-CB 3.83Å; Y8-L124 HydrophobicContact CG-CD2 3.81Å; Y8-L124 HydrophobicContact CG-CG 4.47Å; Y8-I140 HydrophobicContact CG-CG2 4.48Å; Y8-I140 WeakPolarHBondContact O-CG2 3.41Å; Y8-S141 WeakPolarHBondContact CA-O 3.43Å
9R86.5Confident81Confident95 Ų9550.2 Ų50.236%0.35827%0.265SS..EExtended strand (participates in β ladder)trans-111.4133.8173.5-177.1178.4-65.8-86.21.8111.5K40 A42 V43 I140 S141R9-K40 WeakPolarHBondContact CD-O 3.39Å; R9-K40 VanDerWaalsContact CG-O 3.26Å; R9-K40 WeakPolarHBondContact CG-O 3.31Å; R9-K40 PolarHBondContact NH1-O 2.86Å; R9-A42 CarbonylContact C-O 3.53Å; R9-A42 WeakPolarHBondContact CA-O 3.3Å; R9-V43 HydrophobicContact CG-CG2 4.43Å; R9-I140 VanDerWaalsContact N-CG2 3.28Å; R9-I140 CarbonylContact O-C 3.52Å; R9-I140 VanDerWaalsContact O-CA 3.3Å; R9-I140 WeakPolarHBondContact O-CA 3.29Å; R9-I140 VanDerWaalsContact O-CG2 3.23Å; R9-I140 WeakPolarHBondContact O-CG2 3.13Å; R9-S141 PolarHBondContact N-O 3.21Å; R9-S141 PolarHBondContact O-N 3.35Å
10G82.1Confident80.3Confident0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-63.5140.2-176.100000111.2P39 K40 A42G10-P39 CarbonylContact C-O 3.3Å; G10-P39 WeakPolarHBondContact CA-O 3.35Å; G10-P39 PolarHBondContact N-O 2.8Å; G10-P39 CarbonylContact O-C 3.59Å; G10-K40 WeakPolarHBondContact O-CA 3.31Å; G10-K40 PolarHBondContact O-N 2.81Å; G10-A42 PolarHBondContact N-O 2.83Å
11V82Confident79.9Confident34 Ų3452.7 Ų52.721%0.20627%0.272CS..EExtended strand (participates in β ladder)trans-120.5-32.6179.8-680000112.2Q139 S141 F146V11-Q139 HydrophobicContact CG2-CB 3.65Å; V11-Q139 WeakPolarHBondContact CG2-O 3.08Å; V11-Q139 PolarHBondContact N-O 2.77Å; V11-S141 WeakPolarHBondContact CG1-OG 3.38Å; V11-F146 HydrophobicContact CB-CZ 4.13Å; V11-F146 HydrophobicContact CG1-CE1 4.25Å; V11-F146 HydrophobicContact CG1-CE2 3.76Å; V11-F146 HydrophobicContact CG1-CZ 3.53Å
12A78Confident79.1Confident32 Ų3254.4 Ų54.426%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-155.6158.5-179.600000111.6M138 Q139A12-M138 WeakPolarHBondContact O-CA 3.44Å; A12-Q139 HydrophobicContact CB-CB 4.41Å; A12-Q139 PolarHBondContact N-O 3.23Å; A12-Q139 PolarHBondContact O-N 3.46Å
13T76.5Confident78.2Confident46 Ų4652.4 Ų52.428%0.28228%0.279SS..EExtended strand (participates in β ladder)trans-126.5136.716755.90000108.9M16 P39 F137 M138T13-M16 HydrophobicContact CG2-CE 4.19Å; T13-M16 HydrophobicContact CG2-SD 4.05Å; T13-P39 HydrophobicContact CG2-CB 4.34Å; T13-F137 CarbonylContact C-O 3.58Å; T13-F137 VanDerWaalsContact CA-O 3.25Å; T13-F137 WeakPolarHBondContact CA-O 3.34Å; T13-M138 HydrophobicContact CG2-CG 4.06Å; T13-M138 HydrophobicContact CG2-SD 4.43Å
14E76.5Confident76.6Confident86 Ų8650.2 Ų50.240%0.40228%0.282SS..EExtended strand (participates in β ladder)trans-117.4144176.4-56.5178.4178.800110.4M16 F137E14-M16 PolarHBondContact O-N 2.84Å; E14-F137 HydrophobicContact CB-CB 4.11Å; E14-F137 HydrophobicContact CB-CD2 4.34Å; E14-F137 HydrophobicContact CG-CB 4.44Å; E14-F137 PolarHBondContact N-O 3.3Å; E14-F137 PolarHBondContact O-N 2.92Å
15N77.6Confident75.1Confident91 Ų9151.8 Ų51.849%0.48729%0.29SS..SBendtrans56.417.9177.3-64.4-34.5000115.7E17 A18 Y19 Y135N15-E17 VanDerWaalsContact C-N 3.3Å; N15-E17 PolarHBondContact O-N 3.01Å; N15-A18 HydrophobicContact CB-CB 4.5Å; N15-A18 PolarHBondContact O-N 3.21Å; N15-Y19 PolarHBondContact O-N 2.85Å; N15-Y135 WeakPolarHBondContact CB-O 3.36Å; N15-Y135 PolarHBondContact ND2-O 3.33Å
16M71.2Confident73.1Confident9 Ų953 Ų534%0.04430%0.299CS..Hα-helixtrans-64.5-34.8-179.4-172.5170.6-114.800112.9T13 E14 Y19 F20 L34 M37 L136T13-M16 HydrophobicContact CG2-CE 4.19Å; T13-M16 HydrophobicContact CG2-SD 4.05Å; E14-M16 PolarHBondContact O-N 2.84Å; M16-Y19 WeakPolarHBondContact O-CB 3.46Å; M16-Y19 PolarHBondContact O-N 2.87Å; M16-F20 HydrophobicContact CE-CE2 4.46Å; M16-F20 HydrophobicContact CE-CZ 4.19Å; M16-F20 HydrophobicContact CG-CD2 3.85Å; M16-F20 HydrophobicContact CG-CE2 3.31Å; M16-F20 HydrophobicContact CG-CZ 3.83Å; M16-F20 WeakPolarHBondContact O-CD2 3.33Å; M16-F20 WeakPolarHBondContact O-CG 3.24Å; M16-F20 PolarHBondContact O-N 3.49Å; M16-F20 HydrophobicContact SD-CE2 3.87Å; M16-F20 HydrophobicContact SD-CZ 4.18Å; M16-L34 HydrophobicContact CB-CD2 3.7Å; M16-L34 HydrophobicContact CG-CD2 3.58Å; M16-L34 HydrophobicContact SD-CD2 3.74Å; M16-M37 HydrophobicContact CE-CE 3.2Å; M16-M37 HydrophobicContact CE-SD 3.5Å; M16-M37 VanDerWaalsContact CE-SD 3.5Å; M16-M37 HydrophobicContact SD-CE 3.76Å; M16-M37 HydrophobicContact SD-SD 3.44Å; M16-L136 HydrophobicContact CB-CD1 3.33Å; M16-L136 HydrophobicContact CE-CD1 3.84Å; M16-L136 HydrophobicContact CE-CD2 4.07Å; M16-L136 HydrophobicContact CG-CD1 3.62Å; M16-L136 HydrophobicContact SD-CD1 4.34Å
17E67.5Low71.4Confident65 Ų6555.3 Ų55.330%0.30430%0.3SS..Hα-helixtrans-63.5-46.2172.5-173163.4-175.200112N15 Y19 F20 K21 R30 K31 L34N15-E17 VanDerWaalsContact C-N 3.3Å; N15-E17 PolarHBondContact O-N 3.01Å; E17-Y19 VanDerWaalsContact C-N 3.29Å; E17-Y19 PolarHBondContact O-N 2.76Å; E17-F20 PolarHBondContact O-N 3.4Å; E17-K21 VanDerWaalsContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 PolarHBondContact O-N 2.87Å; E17-R30 IonicContact OE1-NH2 3.2Å; E17-K31 WeakPolarHBondContact OE1-CE 3.43Å; E17-K31 IonicContact OE1-NZ 2.92Å; E17-K31 PolarHBondContact OE1-NZ 3.34Å; E17-K31 IonicContact OE2-NZ 3.92Å; E17-K31 PolarHBondContact OE2-NZ 2.92Å; E17-L34 HydrophobicContact CB-CD1 3.69Å; E17-L34 HydrophobicContact CG-CD1 4.07Å
18A71.3Confident69.4Low43 Ų4351.6 Ų51.636%0.35529%0.285SS..Hα-helixtrans-62.3-38.8177.400000111.3N15 K21 A22 V134N15-A18 HydrophobicContact CB-CB 4.5Å; N15-A18 PolarHBondContact O-N 3.21Å; A18-K21 PolarHBondContact O-N 2.95Å; A18-A22 WeakPolarHBondContact O-CB 3.44Å; A18-A22 PolarHBondContact O-N 2.84Å; A18-V134 HydrophobicContact CB-CG1 4.33Å
19Y68.3Low67.5Low10 Ų1053.6 Ų53.64%0.03930%0.296CS..Hα-helixtrans-58.9-52.1172.5171.7-97.5000112.2N15 M16 E17 K21 A22 K23 K128 L130 L136N15-Y19 PolarHBondContact O-N 2.85Å; M16-Y19 WeakPolarHBondContact O-CB 3.46Å; M16-Y19 PolarHBondContact O-N 2.87Å; E17-Y19 VanDerWaalsContact C-N 3.29Å; E17-Y19 PolarHBondContact O-N 2.76Å; Y19-K21 VanDerWaalsContact C-N 3.3Å; Y19-K21 PolarHBondContact O-N 2.92Å; Y19-A22 PolarHBondContact O-N 2.77Å; Y19-K23 HydrophobicContact CE1-CG 4.14Å; Y19-K23 HydrophobicContact CE2-CG 4.25Å; Y19-K23 PolarHBondContact O-N 2.96Å; Y19-K23 VanDerWaalsContact OH-CE 3.28Å; Y19-K23 WeakPolarHBondContact OH-CE 3.41Å; Y19-K128 HydrophobicContact CE2-CD 3.59Å; Y19-K128 HydrophobicContact CE2-CG 4.26Å; Y19-K128 WeakPolarHBondContact OH-CD 3.5Å; Y19-K128 VanDerWaalsContact OH-CE 3.23Å; Y19-K128 WeakPolarHBondContact OH-CE 3.43Å; Y19-K128 PolarHBondContact OH-NZ 3.2Å; Y19-L130 HydrophobicContact CD2-CB 4.23Å; Y19-L130 HydrophobicContact CD2-CD2 4.18Å; Y19-L130 HydrophobicContact CE2-CB 4.11Å; Y19-L130 HydrophobicContact CE2-CD1 3.95Å; Y19-L130 HydrophobicContact CE2-CD2 4.06Å; Y19-L130 HydrophobicContact CE2-CG 4.26Å; Y19-L136 HydrophobicContact CD2-CB 4.48Å; Y19-L136 HydrophobicContact CG-CB 4.37Å
20F68.3Low66.4Low13 Ų1350 Ų506%0.05728%0.283CS..Hα-helixtrans-66.7-33.5179.3-66.8-44.2000112.3M16 E17 K23 G24 M25 R30 I33 L34 M37M16-F20 HydrophobicContact CE-CE2 4.46Å; M16-F20 HydrophobicContact CE-CZ 4.19Å; M16-F20 HydrophobicContact CG-CD2 3.85Å; M16-F20 HydrophobicContact CG-CE2 3.31Å; M16-F20 HydrophobicContact CG-CZ 3.83Å; M16-F20 WeakPolarHBondContact O-CD2 3.33Å; M16-F20 WeakPolarHBondContact O-CG 3.24Å; M16-F20 PolarHBondContact O-N 3.49Å; M16-F20 HydrophobicContact SD-CE2 3.87Å; M16-F20 HydrophobicContact SD-CZ 4.18Å; E17-F20 PolarHBondContact O-N 3.4Å; F20-K23 PolarHBondContact O-N 2.87Å; F20-G24 PolarHBondContact O-N 3.21Å; F20-M25 HydrophobicContact CB-CB 4.26Å; F20-M25 HydrophobicContact CB-CG 4.32Å; F20-M25 HydrophobicContact CB-SD 3.72Å; F20-M25 HydrophobicContact CD1-CE 3.5Å; F20-M25 HydrophobicContact CD1-SD 3.37Å; F20-M25 WeakPolarHBondContact CD1-SD 3.38Å; F20-M25 HydrophobicContact CE1-CE 3.94Å; F20-M25 HydrophobicContact CE1-SD 4.12Å; F20-M25 HydrophobicContact CG-CE 4.42Å; F20-M25 HydrophobicContact CG-SD 3.7Å; F20-M25 WeakPolarHBondContact O-CB 3.47Å; F20-M25 PolarHBondContact O-N 3.43Å; F20-R30 HydrophobicContact CB-CB 4.31Å; F20-R30 HydrophobicContact CB-CG 3.64Å; F20-I33 HydrophobicContact CD2-CG2 4.45Å; F20-I33 HydrophobicContact CE2-CB 4.15Å; F20-I33 HydrophobicContact CE2-CG2 3.48Å; F20-I33 VanDerWaalsContact CE2-CG2 3.48Å; F20-I33 HydrophobicContact CZ-CG2 3.53Å; F20-L34 HydrophobicContact CD2-CD2 4.49Å; F20-L34 HydrophobicContact CD2-CG 4.48Å; F20-L34 HydrophobicContact CE2-CD2 4.26Å; F20-L34 HydrophobicContact CE2-CG 4.47Å; F20-M37 HydrophobicContact CE2-SD 4.46Å; F20-M37 HydrophobicContact CZ-SD 4.25Å
21K70.2Confident65.5Low141 Ų14152.8 Ų52.861%0.61330%0.295SS*.Hα-helixtrans-62.9-46.2173.1-174.5177.9179.4177.50110.9E17 A18 Y19 K23 G24 R30E17-K21 VanDerWaalsContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CB 3.35Å; E17-K21 PolarHBondContact O-N 2.87Å; A18-K21 PolarHBondContact O-N 2.95Å; Y19-K21 VanDerWaalsContact C-N 3.3Å; Y19-K21 PolarHBondContact O-N 2.92Å; K21-K23 VanDerWaalsContact C-N 3.28Å; K21-K23 PolarHBondContact O-N 2.84Å; K21-G24 PolarHBondContact O-N 2.9Å; K21-R30 VanDerWaalsContact N-CD 3.3Å
22A64.6Low64.1Low59 Ų5954.1 Ų54.149%0.48830%0.299SS..Hα-helixtrans-65.7-29.4176.500000113A18 Y19 G24 L130A18-A22 WeakPolarHBondContact O-CB 3.44Å; A18-A22 PolarHBondContact O-N 2.84Å; Y19-A22 PolarHBondContact O-N 2.77Å; A22-G24 PolarHBondContact O-N 3.14Å; A22-L130 HydrophobicContact CB-CD2 3.86Å
23K62.3Low63.1Low88 Ų8854 Ų5438%0.38329%0.294SS..THydrogen-bonded Turntrans-73.7-2.2169.8-79.7-66.4-163-175.20114.1Y19 F20 K21 L130Y19-K23 HydrophobicContact CE1-CG 4.14Å; Y19-K23 HydrophobicContact CE2-CG 4.25Å; Y19-K23 PolarHBondContact O-N 2.96Å; Y19-K23 VanDerWaalsContact OH-CE 3.28Å; Y19-K23 WeakPolarHBondContact OH-CE 3.41Å; F20-K23 PolarHBondContact O-N 2.87Å; K21-K23 VanDerWaalsContact C-N 3.28Å; K21-K23 PolarHBondContact O-N 2.84Å; K23-L130 HydrophobicContact CD-CD1 4.06Å; K23-L130 HydrophobicContact CD-CD2 4.18Å; K23-L130 HydrophobicContact CG-CD2 4.04Å
24G53.6Low62.5Low63 Ų6353.9 Ų53.965%0.64929%0.292SS*.THydrogen-bonded Turntrans79.915.2178.600000114.8F20 K21 A22F20-G24 PolarHBondContact O-N 3.21Å; K21-G24 PolarHBondContact O-N 2.9Å; A22-G24 PolarHBondContact O-N 3.14Å
25M56.7Low61.7Low37 Ų3753.3 Ų53.318%0.18230%0.297CS..  trans-71.3136.7176.3-62.3-173.8-173.500110.5F20 L29 R30 I33 M216F20-M25 HydrophobicContact CB-CB 4.26Å; F20-M25 HydrophobicContact CB-CG 4.32Å; F20-M25 HydrophobicContact CB-SD 3.72Å; F20-M25 HydrophobicContact CD1-CE 3.5Å; F20-M25 HydrophobicContact CD1-SD 3.37Å; F20-M25 WeakPolarHBondContact CD1-SD 3.38Å; F20-M25 HydrophobicContact CE1-CE 3.94Å; F20-M25 HydrophobicContact CE1-SD 4.12Å; F20-M25 HydrophobicContact CG-CE 4.42Å; F20-M25 HydrophobicContact CG-SD 3.7Å; F20-M25 WeakPolarHBondContact O-CB 3.47Å; F20-M25 PolarHBondContact O-N 3.43Å; M25-L29 HydrophobicContact CB-CD2 4.44Å; M25-L29 HydrophobicContact CG-CD2 4.45Å; M25-R30 HydrophobicContact CB-CG 3.7Å; M25-R30 PolarHBondContact O-NH1 3.08Å; M25-I33 HydrophobicContact SD-CD1 3.82Å; M25-M216 HydrophobicContact CG-CE 4.28Å
26V50.2Low60.7Low81 Ų8154.3 Ų54.349%0.49130%0.302SS..  trans-66.9149.2175.7-63.60000111.7A28 L29 R30V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.18Å; V26-L29 HydrophobicContact CG2-CB 3.83Å; V26-L29 PolarHBondContact O-N 2.91Å; V26-L29 VanDerWaalsContact O-N 3.07Å; V26-R30 WeakPolarHBondContact O-CG 3.44Å; V26-R30 PolarHBondContact O-N 3.28Å
27W55.3Low60.3Low75 Ų7555.1 Ų55.128%0.28431%0.306SS..Hα-helixtrans-54.4-44.1-171.3175.399.3000113.6L29 R30 K31 Q359W27-L29 VanDerWaalsContact C-N 3.34Å; W27-L29 PolarHBondContact O-N 3.12Å; W27-R30 VanDerWaalsContact CA-CZ 3.46Å; W27-R30 WeakPolarHBondContact O-CB 3.26Å; W27-R30 PolarHBondContact O-N 3.47Å; W27-R30 VanDerWaalsContact O-N 3.12Å; W27-K31 HydrophobicContact CD2-CG 3.88Å; W27-K31 HydrophobicContact CE3-CG 4.3Å; W27-K31 HydrophobicContact CG-CG 4.41Å; W27-K31 HydrophobicContact CH2-CG 4.17Å; W27-K31 HydrophobicContact CZ2-CD 4.35Å; W27-K31 HydrophobicContact CZ2-CG 3.74Å; W27-K31 HydrophobicContact CZ3-CG 4.44Å; W27-K31 WeakPolarHBondContact O-CG 3.49Å; W27-K31 PolarHBondContact O-N 2.87Å; W27-Q359 HydrophobicContact CB-CG 3.82Å; W27-Q359 HydrophobicContact CD2-CG 4.32Å; W27-Q359 HydrophobicContact CE3-CG 3.93Å; W27-Q359 HydrophobicContact CG-CG 4.33Å
28A48.1Very low60.4Low10 Ų1055.6 Ų55.68%0.08331%0.31CS..Hα-helixtrans-58.9-43.6178.700000112.3V26 K31 M32V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.18Å; A28-K31 PolarHBondContact O-N 3.22Å; A28-M32 WeakPolarHBondContact O-CB 3.25Å; A28-M32 PolarHBondContact O-N 2.99Å
29L50.9Low60.4Low48 Ų4854.8 Ų54.825%0.25130%0.301SS..Hα-helixtrans-65.9-40176.3-178.961.3000111.6M25 V26 W27 M32 I33 M216M25-L29 HydrophobicContact CB-CD2 4.44Å; M25-L29 HydrophobicContact CG-CD2 4.45Å; V26-L29 HydrophobicContact CG2-CB 3.83Å; V26-L29 PolarHBondContact O-N 2.91Å; V26-L29 VanDerWaalsContact O-N 3.07Å; W27-L29 VanDerWaalsContact C-N 3.34Å; W27-L29 PolarHBondContact O-N 3.12Å; L29-M32 HydrophobicContact CD1-CE 3.69Å; L29-M32 PolarHBondContact O-N 3.18Å; L29-I33 HydrophobicContact CD1-CD1 4.04Å; L29-I33 HydrophobicContact CD1-CG1 4.23Å; L29-I33 HydrophobicContact CG-CD1 3.92Å; L29-I33 WeakPolarHBondContact O-CB 3.49Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.92Å; L29-M216 HydrophobicContact CD2-CE 3.86Å; L29-M216 HydrophobicContact CD2-SD 4.45Å
30R64.2Low60.7Low20 Ų2060.4 Ų60.48%0.07533%0.326CS..Hα-helixtrans-61.2-48.6175.7-57.8-166.6-56.1-94.81.6111E17 F20 K21 M25 V26 W27 I33 L34E17-R30 IonicContact OE1-NH2 3.2Å; F20-R30 HydrophobicContact CB-CB 4.31Å; F20-R30 HydrophobicContact CB-CG 3.64Å; K21-R30 VanDerWaalsContact N-CD 3.3Å; M25-R30 HydrophobicContact CB-CG 3.7Å; M25-R30 PolarHBondContact O-NH1 3.08Å; V26-R30 WeakPolarHBondContact O-CG 3.44Å; V26-R30 PolarHBondContact O-N 3.28Å; W27-R30 VanDerWaalsContact CA-CZ 3.46Å; W27-R30 WeakPolarHBondContact O-CB 3.26Å; W27-R30 PolarHBondContact O-N 3.47Å; W27-R30 VanDerWaalsContact O-N 3.12Å; R30-I33 PolarHBondContact O-N 3.1Å; R30-L34 WeakPolarHBondContact O-CB 3.35Å; R30-L34 WeakPolarHBondContact O-CD1 3.3Å; R30-L34 WeakPolarHBondContact O-CG 3.45Å; R30-L34 PolarHBondContact O-N 3.36Å
31K61.8Low61.1Low57 Ų5764 Ų6425%0.24835%0.346CS..Hα-helixtrans-64.3-40.7179.8-67.2-57.1-172.6-178.40111.8E17 W27 A28 L34 S35E17-K31 WeakPolarHBondContact OE1-CE 3.43Å; E17-K31 IonicContact OE1-NZ 2.92Å; E17-K31 PolarHBondContact OE1-NZ 3.34Å; E17-K31 IonicContact OE2-NZ 3.92Å; E17-K31 PolarHBondContact OE2-NZ 2.92Å; W27-K31 HydrophobicContact CD2-CG 3.88Å; W27-K31 HydrophobicContact CE3-CG 4.3Å; W27-K31 HydrophobicContact CG-CG 4.41Å; W27-K31 HydrophobicContact CH2-CG 4.17Å; W27-K31 HydrophobicContact CZ2-CD 4.35Å; W27-K31 HydrophobicContact CZ2-CG 3.74Å; W27-K31 HydrophobicContact CZ3-CG 4.44Å; W27-K31 WeakPolarHBondContact O-CG 3.49Å; W27-K31 PolarHBondContact O-N 2.87Å; A28-K31 PolarHBondContact O-N 3.22Å; K31-L34 PolarHBondContact O-N 3.26Å; K31-S35 WeakPolarHBondContact O-CB 3.31Å; K31-S35 PolarHBondContact O-N 3.16Å; K31-S35 PolarHBondContact O-OG 3.15Å
32M53Low61.6Low62 Ų6257.4 Ų57.431%0.30532%0.318SS..Hα-helixtrans-61.4-47.1173.6-172.9-168.881.700111.8A28 L29 L34 S35 L36 F352A28-M32 WeakPolarHBondContact O-CB 3.25Å; A28-M32 PolarHBondContact O-N 2.99Å; L29-M32 HydrophobicContact CD1-CE 3.69Å; L29-M32 PolarHBondContact O-N 3.18Å; M32-L34 VanDerWaalsContact C-N 3.35Å; M32-L34 PolarHBondContact O-N 2.8Å; M32-S35 PolarHBondContact O-N 2.87Å; M32-S35 PolarHBondContact O-OG 2.95Å; M32-L36 HydrophobicContact CE-CD1 4.36Å; M32-L36 HydrophobicContact CG-CD1 3.78Å; M32-L36 HydrophobicContact CG-CG 4.35Å; M32-L36 WeakPolarHBondContact O-CB 3.35Å; M32-L36 WeakPolarHBondContact O-CG 3.49Å; M32-L36 PolarHBondContact O-N 3.03Å; M32-L36 HydrophobicContact SD-CD1 4.45Å; M32-F352 HydrophobicContact CG-CE1 4.47Å; M32-F352 HydrophobicContact CG-CZ 4.37Å; M32-F352 HydrophobicContact SD-CE1 4.49Å; M32-F352 HydrophobicContact SD-CZ 4.44Å
33I58.2Low62.6Low30 Ų3055.2 Ų55.215%0.15430%0.298CS..Hα-helixtrans-61.6-47.1176.8-67.5166.6000109.6F20 M25 L29 R30 S35 L36 M37F20-I33 HydrophobicContact CD2-CG2 4.45Å; F20-I33 HydrophobicContact CE2-CB 4.15Å; F20-I33 HydrophobicContact CE2-CG2 3.48Å; F20-I33 VanDerWaalsContact CE2-CG2 3.48Å; F20-I33 HydrophobicContact CZ-CG2 3.53Å; M25-I33 HydrophobicContact SD-CD1 3.82Å; L29-I33 HydrophobicContact CD1-CD1 4.04Å; L29-I33 HydrophobicContact CD1-CG1 4.23Å; L29-I33 HydrophobicContact CG-CD1 3.92Å; L29-I33 WeakPolarHBondContact O-CB 3.49Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.92Å; R30-I33 PolarHBondContact O-N 3.1Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 2.96Å; I33-L36 PolarHBondContact O-N 3.05Å; I33-M37 HydrophobicContact CG2-CG 3.91Å; I33-M37 HydrophobicContact CG2-SD 3.5Å; I33-M37 WeakPolarHBondContact CG2-SD 3.47Å; I33-M37 WeakPolarHBondContact O-CB 3.13Å; I33-M37 WeakPolarHBondContact O-CG 3.24Å; I33-M37 PolarHBondContact O-N 3.37Å
34L62.3Low63.9Low44 Ų4451 Ų5123%0.2328%0.28CS..Hα-helixtrans-63.5-34.2179.8-68.7166.3000113M16 E17 F20 R30 K31 M32M16-L34 HydrophobicContact CB-CD2 3.7Å; M16-L34 HydrophobicContact CG-CD2 3.58Å; M16-L34 HydrophobicContact SD-CD2 3.74Å; E17-L34 HydrophobicContact CB-CD1 3.69Å; E17-L34 HydrophobicContact CG-CD1 4.07Å; F20-L34 HydrophobicContact CD2-CD2 4.49Å; F20-L34 HydrophobicContact CD2-CG 4.48Å; F20-L34 HydrophobicContact CE2-CD2 4.26Å; F20-L34 HydrophobicContact CE2-CG 4.47Å; R30-L34 WeakPolarHBondContact O-CB 3.35Å; R30-L34 WeakPolarHBondContact O-CD1 3.3Å; R30-L34 WeakPolarHBondContact O-CG 3.45Å; R30-L34 PolarHBondContact O-N 3.36Å; K31-L34 PolarHBondContact O-N 3.26Å; M32-L34 VanDerWaalsContact C-N 3.35Å; M32-L34 PolarHBondContact O-N 2.8Å
35S59.4Low65.8Low74 Ų7450.8 Ų50.852%0.51726%0.262SS..Hα-helixtrans-77.6-34.2178.268.60000112.8K31 M32 I33K31-S35 WeakPolarHBondContact O-CB 3.31Å; K31-S35 PolarHBondContact O-N 3.16Å; K31-S35 PolarHBondContact O-OG 3.15Å; M32-S35 PolarHBondContact O-N 2.87Å; M32-S35 PolarHBondContact O-OG 2.95Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 2.96Å
36L56.8Low67.5Low112 Ų11249.1 Ų49.159%0.58625%0.254SS*.Hα-helixtrans-78.6-25.8174.4-65.5175.4000112.2M32 I33 N38M32-L36 HydrophobicContact CE-CD1 4.36Å; M32-L36 HydrophobicContact CG-CD1 3.78Å; M32-L36 HydrophobicContact CG-CG 4.35Å; M32-L36 WeakPolarHBondContact O-CB 3.35Å; M32-L36 WeakPolarHBondContact O-CG 3.49Å; M32-L36 PolarHBondContact O-N 3.03Å; M32-L36 HydrophobicContact SD-CD1 4.45Å; I33-L36 PolarHBondContact O-N 3.05Å; L36-N38 PolarHBondContact O-N 3.34Å
37M63.6Low69.6Low25 Ų2547.6 Ų47.612%0.12325%0.246CC..  trans-75.191.9175.6-78.8-170.380.500110.2M16 F20 I33 P39 T62M16-M37 HydrophobicContact CE-CE 3.2Å; M16-M37 HydrophobicContact CE-SD 3.5Å; M16-M37 VanDerWaalsContact CE-SD 3.5Å; M16-M37 HydrophobicContact SD-CE 3.76Å; M16-M37 HydrophobicContact SD-SD 3.44Å; F20-M37 HydrophobicContact CE2-SD 4.46Å; F20-M37 HydrophobicContact CZ-SD 4.25Å; I33-M37 HydrophobicContact CG2-CG 3.91Å; I33-M37 HydrophobicContact CG2-SD 3.5Å; I33-M37 WeakPolarHBondContact CG2-SD 3.47Å; I33-M37 WeakPolarHBondContact O-CB 3.13Å; I33-M37 WeakPolarHBondContact O-CG 3.24Å; I33-M37 PolarHBondContact O-N 3.37Å; M37-P39 VanDerWaalsContact O-CD 3.26Å; M37-P39 WeakPolarHBondContact O-CD 3.26Å; M37-T62 HydrophobicContact CB-CG2 4.31Å; M37-T62 HydrophobicContact CG-CG2 3.28Å; M37-T62 WeakPolarHBondContact CG-OG1 3.41Å; M37-T62 HydrophobicContact SD-CG2 4.44Å; M37-T62 PolarHBondContact SD-OG1 3.02Å
38N69Low71.4Confident75 Ų7549 Ų4940%0.40125%0.254SS..  trans-85108.7160.5-171.3-13.4000108.9L36 K40 N41L36-N38 PolarHBondContact O-N 3.34Å; N38-K40 PolarHBondContact O-N 3.37Å; N38-K40 WeakPolarHBondContact OD1-CB 3.41Å; N38-K40 WeakPolarHBondContact OD1-CG 3.24Å; N38-K40 PolarHBondContact OD1-N 2.79Å; N38-N41 WeakPolarHBondContact O-CB 3.21Å; N38-N41 PolarHBondContact O-N 2.87Å
39P72.3Confident73.5Confident26 Ų2651.1 Ų51.117%0.16926%0.264CS..G310 helixtrans-56.9-26.4178.322.9-32.8000111.9G10 T13 M37 N41 A42G10-P39 CarbonylContact C-O 3.3Å; G10-P39 WeakPolarHBondContact CA-O 3.35Å; G10-P39 PolarHBondContact N-O 2.8Å; G10-P39 CarbonylContact O-C 3.59Å; T13-P39 HydrophobicContact CG2-CB 4.34Å; M37-P39 VanDerWaalsContact O-CD 3.26Å; M37-P39 WeakPolarHBondContact O-CD 3.26Å; P39-N41 PolarHBondContact O-N 2.89Å; P39-N41 VanDerWaalsContact O-N 3.15Å; P39-A42 WeakPolarHBondContact O-CB 3.29Å; P39-A42 PolarHBondContact O-N 3.12Å
40K74.9Confident75.3Confident128 Ų12859 Ų5956%0.55730%0.3SS*.G310 helixtrans-63.4-20177.1-58.1179.8179.3178.40114R9 G10 N38R9-K40 WeakPolarHBondContact CD-O 3.39Å; R9-K40 VanDerWaalsContact CG-O 3.26Å; R9-K40 WeakPolarHBondContact CG-O 3.31Å; R9-K40 PolarHBondContact NH1-O 2.86Å; G10-K40 WeakPolarHBondContact O-CA 3.31Å; G10-K40 PolarHBondContact O-N 2.81Å; N38-K40 PolarHBondContact O-N 3.37Å; N38-K40 WeakPolarHBondContact OD1-CB 3.41Å; N38-K40 WeakPolarHBondContact OD1-CG 3.24Å; N38-K40 PolarHBondContact OD1-N 2.79Å
41N76.2Confident76.7Confident89 Ų8962.6 Ų62.648%0.47632%0.32SS..G310 helixtrans-82.6-25.8174.6-66.3-12.5000111.7N38 P39 V43 G60N38-N41 WeakPolarHBondContact O-CB 3.21Å; N38-N41 PolarHBondContact O-N 2.87Å; P39-N41 PolarHBondContact O-N 2.89Å; P39-N41 VanDerWaalsContact O-N 3.15Å; N41-V43 PolarHBondContact O-N 2.86Å; N41-G60 CarbonylContact C-O 3.56Å; N41-G60 VanDerWaalsContact C-O 3.3Å; N41-G60 VanDerWaalsContact CB-O 3.29Å; N41-G60 WeakPolarHBondContact CB-O 3.37Å; N41-G60 CarbonylContact O-C 3.13Å; N41-G60 VanDerWaalsContact O-CA 3.31Å; N41-G60 WeakPolarHBondContact O-CA 2.96Å
42A80.6Confident78Confident2 Ų261.5 Ų61.52%0.01733%0.325CS..  trans-67.8119.5175.700000109.5R9 G10 P39 T59 G60 M138R9-A42 CarbonylContact C-O 3.53Å; R9-A42 WeakPolarHBondContact CA-O 3.3Å; G10-A42 PolarHBondContact N-O 2.83Å; P39-A42 WeakPolarHBondContact O-CB 3.29Å; P39-A42 PolarHBondContact O-N 3.12Å; A42-T59 CarbonylContact C-O 3.57Å; A42-T59 VanDerWaalsContact CA-O 3.31Å; A42-T59 WeakPolarHBondContact CA-O 3.29Å; A42-G60 PolarHBondContact N-O 2.78Å; A42-M138 HydrophobicContact CB-CE 4.09Å; A42-M138 HydrophobicContact CB-SD 4.29Å
43V86.6Confident79.9Confident14 Ų1459.1 Ų59.19%0.08531%0.314CS..EExtended strand (participates in β ladder)trans-127.1127.8177.6173.80000108.4K7 Y8 R9 N41 D58 T59K7-V43 HydrophobicContact CD-CG1 4.31Å; K7-V43 HydrophobicContact CG-CG1 3.94Å; Y8-V43 CarbonylContact O-C 3.55Å; Y8-V43 WeakPolarHBondContact O-CA 3.2Å; R9-V43 HydrophobicContact CG-CG2 4.43Å; N41-V43 PolarHBondContact O-N 2.86Å; V43-D58 WeakPolarHBondContact O-CA 3.44Å; V43-T59 WeakPolarHBondContact CB-OG1 3.38Å; V43-T59 PolarHBondContact N-O 2.89Å; V43-T59 PolarHBondContact O-N 2.91Å; V43-T59 PolarHBondContact O-OG1 2.81Å
44R89.2Confident81.6Confident0 Ų058.7 Ų58.70%031%0.311CS..EExtended strand (participates in β ladder)trans-121.8137177.8-67.2-169.2-179.7-173.9-11.5111.9K7 Y8 K57 D58 L124 W126 I140K7-R44 CarbonylContact C-O 3.51Å; K7-R44 WeakPolarHBondContact CA-O 3.32Å; Y8-R44 PolarHBondContact N-O 3.5Å; Y8-R44 PolarHBondContact O-N 2.97Å; R44-K57 CarbonylContact C-O 3.58Å; R44-K57 VanDerWaalsContact CA-O 3.26Å; R44-K57 WeakPolarHBondContact CA-O 3.5Å; R44-D58 HydrophobicContact CG-CB 4.38Å; R44-D58 IonicContact CZ-OD2 2.63Å; R44-D58 VanDerWaalsContact CZ-OD2 3.25Å; R44-D58 IonicContact NE-OD2 3.25Å; R44-D58 PolarHBondContact NE-OD2 2.82Å; R44-D58 IonicContact NH2-OD2 3.48Å; R44-D58 PolarHBondContact NH2-OD2 2.6Å; R44-L124 HydrophobicContact CB-CD2 4.46Å; R44-W126 VanDerWaalsContact CZ-CD2 3.42Å; R44-W126 VanDerWaalsContact NH1-CE2 3.26Å; R44-I140 HydrophobicContact CB-CD1 4.5Å; R44-I140 HydrophobicContact CG-CD1 4.15Å
45E92.4Very high83.1Confident58 Ų5857.8 Ų57.827%0.27131%0.308SS..EExtended strand (participates in β ladder)trans-135.5128.2-175.7-174.6161.4-150.800109.7G6 K7 Y56 K57G6-E45 WeakPolarHBondContact O-CA 3.05Å; K7-E45 HydrophobicContact CB-CG 4.43Å; E45-Y56 WeakPolarHBondContact O-CA 3.48Å; E45-K57 HydrophobicContact CB-CB 4.29Å; E45-K57 PolarHBondContact N-O 3.26Å; E45-K57 PolarHBondContact O-N 2.86Å
46F93.2Very high84.8Confident2 Ų254.3 Ų54.31%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-116.7121.1171.9-68.9-86.5000108.4M1 L4 L5 G6 Y8 S55 Y56 L99 H117 L124M1-F46 HydrophobicContact CE-CD1 4.24Å; L4-F46 WeakPolarHBondContact O-CB 3.37Å; L5-F46 WeakPolarHBondContact CA-O 3.23Å; L5-F46 HydrophobicContact CD2-CB 4.33Å; G6-F46 PolarHBondContact N-O 3.46Å; G6-F46 PolarHBondContact O-N 3.48Å; Y8-F46 HydrophobicContact CE2-CD2 4.32Å; F46-S55 WeakPolarHBondContact CA-O 3.33Å; F46-Y56 AromaticContact CD1-CD2 3.8Å; F46-Y56 HydrophobicContact CD1-CD2 3.8Å; F46-Y56 HydrophobicContact CD2-CD2 4.45Å; F46-Y56 AromaticContact CE1-CD2 3.31Å; F46-Y56 HydrophobicContact CE1-CD2 3.31Å; F46-Y56 AromaticContact CE1-CE2 3.86Å; F46-Y56 HydrophobicContact CE1-CE2 3.86Å; F46-Y56 HydrophobicContact CE1-CG 4.17Å; F46-Y56 HydrophobicContact CE2-CD2 4.02Å; F46-Y56 AromaticContact CE2-CE2 3.96Å; F46-Y56 HydrophobicContact CE2-CE2 3.96Å; F46-Y56 HydrophobicContact CG-CD2 4.35Å; F46-Y56 AromaticContact CZ-CD2 3.44Å; F46-Y56 HydrophobicContact CZ-CD2 3.44Å; F46-Y56 VanDerWaalsContact CZ-CD2 3.44Å; F46-Y56 AromaticContact CZ-CE2 3.47Å; F46-Y56 HydrophobicContact CZ-CE2 3.47Å; F46-Y56 VanDerWaalsContact CZ-CE2 3.47Å; F46-L99 HydrophobicContact CD1-CD2 4.38Å; F46-L99 HydrophobicContact CE1-CD2 3.65Å; F46-L99 HydrophobicContact CZ-CD2 4.2Å; F46-H117 AromaticContact CZ-CE1 3.84Å; F46-H117 AromaticContact CZ-ND1 3.65Å; F46-L124 HydrophobicContact CE2-CD2 3.9Å
47C93.2Very high86.5Confident48 Ų4851.8 Ų51.832%0.32427%0.268SS..EExtended strand (participates in β ladder)trans-123.6147.8177.9-63.80000110.3F54 S55C47-F54 CarbonylContact O-C 3.55Å; C47-F54 VanDerWaalsContact O-CA 3.24Å; C47-F54 WeakPolarHBondContact O-CA 3.46Å; C47-S55 PolarHBondContact N-O 2.67Å; C47-S55 PolarHBondContact O-N 2.88Å
48K93Very high87.6Confident106 Ų10650.6 Ų50.646%0.46126%0.262SS..EExtended strand (participates in β ladder)trans-102.3125.5170.2-173-179.6-175.1-178.40107.6E2 L5 F54E2-K48 IonicContact OE1-NZ 3.21Å; E2-K48 PolarHBondContact OE1-NZ 2.91Å; L5-K48 HydrophobicContact CD1-CB 3.93Å; L5-K48 HydrophobicContact CD1-CD 4.5Å; L5-K48 HydrophobicContact CD2-CB 4.13Å; K48-F54 HydrophobicContact CB-CD1 4.13Å; K48-F54 HydrophobicContact CB-CE1 4.02Å; K48-F54 HydrophobicContact CD-CE1 4.22Å; K48-F54 HydrophobicContact CG-CD1 4.29Å; K48-F54 HydrophobicContact CG-CE1 3.88Å; K48-F54 HydrophobicContact CG-CZ 4.4Å
49N92.8Very high88.3Confident53 Ų5348.5 Ų48.528%0.28325%0.252SS..  trans-86.4161.7178.8-61.3-34.3000110.6D51 G52 T53 S55N49-D51 VanDerWaalsContact CB-OD1 3.28Å; N49-D51 WeakPolarHBondContact CB-OD1 3.3Å; N49-D51 PolarHBondContact O-N 3.36Å; N49-G52 PolarHBondContact O-N 3.03Å; N49-T53 WeakPolarHBondContact CB-OG1 3.2Å; N49-T53 PolarHBondContact N-O 3.39Å; N49-T53 PolarHBondContact ND2-OG1 3.07Å; N49-S55 PolarHBondContact ND2-OG 2.81Å; N49-S55 PolarHBondContact OD1-OG 2.97Å
50E89.8Confident88Confident214 Ų21449.4 Ų49.4100%127%0.266SS*.THydrogen-bonded Turntrans-63.7-28.6-178.8-63.7-177.8175.100112.8G52E50-G52 PolarHBondContact O-N 2.75Å
51D91.7Very high87.4Confident96 Ų9644 Ų4451%0.51325%0.245SC..THydrogen-bonded Turntrans-81.36.5179.572.9-13.7000114.3N49 T53 R71N49-D51 VanDerWaalsContact CB-OD1 3.28Å; N49-D51 WeakPolarHBondContact CB-OD1 3.3Å; N49-D51 PolarHBondContact O-N 3.36Å; D51-T53 VanDerWaalsContact C-N 3.3Å; D51-T53 PolarHBondContact O-N 2.88Å; D51-T53 VanDerWaalsContact OD1-CB 3.32Å; D51-T53 WeakPolarHBondContact OD1-CB 3.43Å; D51-T53 WeakPolarHBondContact OD1-CG2 3.32Å; D51-T53 PolarHBondContact OD1-N 3.44Å; D51-T53 PolarHBondContact OD1-OG1 2.97Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.31Å; D51-T53 PolarHBondContact OD2-OG1 3.11Å; D51-R71 PolarHBondContact O-NH1 3.36Å; D51-R71 PolarHBondContact O-NH2 2.79Å
52G89.5Confident86.2Confident33 Ų3343.5 Ų43.534%0.3425%0.245SC..SBendtrans79.13.6-177.900000115.1N49 E50N49-G52 PolarHBondContact O-N 3.03Å; E50-G52 PolarHBondContact O-N 2.75Å
53T93.7Very high85.4Confident12 Ų1246.5 Ų46.57%0.07426%0.256CS..  trans-79166.3169.865.40000111.4N49 D51 T69 R71N49-T53 WeakPolarHBondContact CB-OG1 3.2Å; N49-T53 PolarHBondContact N-O 3.39Å; N49-T53 PolarHBondContact ND2-OG1 3.07Å; D51-T53 VanDerWaalsContact C-N 3.3Å; D51-T53 PolarHBondContact O-N 2.88Å; D51-T53 VanDerWaalsContact OD1-CB 3.32Å; D51-T53 WeakPolarHBondContact OD1-CB 3.43Å; D51-T53 WeakPolarHBondContact OD1-CG2 3.32Å; D51-T53 PolarHBondContact OD1-N 3.44Å; D51-T53 PolarHBondContact OD1-OG1 2.97Å; D51-T53 WeakPolarHBondContact OD2-CG2 3.31Å; D51-T53 PolarHBondContact OD2-OG1 3.11Å; T53-T69 HydrophobicContact CG2-CG2 4.35Å; T53-T69 WeakPolarHBondContact OG1-CG2 3.28Å; T53-R71 HydrophobicContact CG2-CG 3.83Å
54F94.4Very high84.5Confident22 Ų2248.7 Ų48.710%0.09627%0.271CS..EExtended strand (participates in β ladder)trans-116.1142.3173.2-63.4-87.7000109.8M1 L5 C47 K48 T69 F70 I72M1-F54 HydrophobicContact CB-CZ 4.46Å; M1-F54 HydrophobicContact CE-CB 4.33Å; M1-F54 HydrophobicContact CE-CD1 3.54Å; M1-F54 HydrophobicContact CE-CE1 3.92Å; M1-F54 HydrophobicContact CE-CG 3.87Å; M1-F54 HydrophobicContact CG-CD1 4.13Å; M1-F54 HydrophobicContact CG-CE1 3.49Å; M1-F54 VanDerWaalsContact CG-CE1 3.49Å; M1-F54 HydrophobicContact CG-CE2 4.32Å; M1-F54 HydrophobicContact CG-CZ 3.6Å; L5-F54 HydrophobicContact CD2-CD1 4.1Å; L5-F54 HydrophobicContact CD2-CE1 4.22Å; C47-F54 CarbonylContact O-C 3.55Å; C47-F54 VanDerWaalsContact O-CA 3.24Å; C47-F54 WeakPolarHBondContact O-CA 3.46Å; K48-F54 HydrophobicContact CB-CD1 4.13Å; K48-F54 HydrophobicContact CB-CE1 4.02Å; K48-F54 HydrophobicContact CD-CE1 4.22Å; K48-F54 HydrophobicContact CG-CD1 4.29Å; K48-F54 HydrophobicContact CG-CE1 3.88Å; K48-F54 HydrophobicContact CG-CZ 4.4Å; F54-T69 CarbonylContact O-C 3.55Å; F54-T69 VanDerWaalsContact O-CA 3.3Å; F54-T69 WeakPolarHBondContact O-CA 3.31Å; F54-F70 HydrophobicContact CB-CD1 4.32Å; F54-F70 HydrophobicContact CB-CD2 4.37Å; F54-F70 HydrophobicContact CB-CE1 3.79Å; F54-F70 HydrophobicContact CB-CE2 3.89Å; F54-F70 HydrophobicContact CB-CZ 3.58Å; F54-F70 HydrophobicContact CD2-CE2 4.46Å; F54-F70 HydrophobicContact CG-CE2 4.44Å; F54-F70 HydrophobicContact CG-CZ 4.42Å; F54-F70 PolarHBondContact N-O 2.77Å; F54-F70 WeakPolarHBondContact O-CD1 3.42Å; F54-F70 PolarHBondContact O-N 3.01Å; F54-I72 HydrophobicContact CD2-CD1 4.49Å; F54-I72 HydrophobicContact CD2-CG1 4.01Å; F54-I72 HydrophobicContact CE2-CG1 3.77Å
55S93.7Very high84.2Confident25 Ų2554.3 Ų54.318%0.17530%0.298CS..EExtended strand (participates in β ladder)trans-107.4134.3170.5-65.40000110.1F46 C47 N49 W68 T69F46-S55 WeakPolarHBondContact CA-O 3.33Å; C47-S55 PolarHBondContact N-O 2.67Å; C47-S55 PolarHBondContact O-N 2.88Å; N49-S55 PolarHBondContact ND2-OG 2.81Å; N49-S55 PolarHBondContact OD1-OG 2.97Å; S55-W68 CarbonylContact C-O 3.57Å; S55-W68 VanDerWaalsContact CA-O 3.29Å; S55-W68 WeakPolarHBondContact CA-O 3.23Å; S55-T69 PolarHBondContact OG-OG1 2.76Å
56Y93.6Very high84Confident0 Ų051.8 Ų51.80%029%0.287CS..EExtended strand (participates in β ladder)trans-120.7131.7174.9171.1-107.2000109.9E45 F46 D58 V66 E67 W68 Y81E45-Y56 WeakPolarHBondContact O-CA 3.48Å; F46-Y56 AromaticContact CD1-CD2 3.8Å; F46-Y56 HydrophobicContact CD1-CD2 3.8Å; F46-Y56 HydrophobicContact CD2-CD2 4.45Å; F46-Y56 AromaticContact CE1-CD2 3.31Å; F46-Y56 HydrophobicContact CE1-CD2 3.31Å; F46-Y56 AromaticContact CE1-CE2 3.86Å; F46-Y56 HydrophobicContact CE1-CE2 3.86Å; F46-Y56 HydrophobicContact CE1-CG 4.17Å; F46-Y56 HydrophobicContact CE2-CD2 4.02Å; F46-Y56 AromaticContact CE2-CE2 3.96Å; F46-Y56 HydrophobicContact CE2-CE2 3.96Å; F46-Y56 HydrophobicContact CG-CD2 4.35Å; F46-Y56 AromaticContact CZ-CD2 3.44Å; F46-Y56 HydrophobicContact CZ-CD2 3.44Å; F46-Y56 VanDerWaalsContact CZ-CD2 3.44Å; F46-Y56 AromaticContact CZ-CE2 3.47Å; F46-Y56 HydrophobicContact CZ-CE2 3.47Å; F46-Y56 VanDerWaalsContact CZ-CE2 3.47Å; Y56-D58 HydrophobicContact CE1-CB 4.08Å; Y56-D58 PolarHBondContact OH-OD2 2.96Å; Y56-V66 HydrophobicContact CD1-CG2 4.45Å; Y56-V66 HydrophobicContact CE1-CG2 3.98Å; Y56-E67 CarbonylContact O-C 3.48Å; Y56-E67 VanDerWaalsContact O-CA 3.31Å; Y56-E67 WeakPolarHBondContact O-CA 3.49Å; Y56-W68 HydrophobicContact CD1-CD2 4.36Å; Y56-W68 AromaticContact CD1-CE3 3.61Å; Y56-W68 HydrophobicContact CD1-CE3 3.61Å; Y56-W68 AromaticContact CD1-CZ3 3.84Å; Y56-W68 HydrophobicContact CD1-CZ3 3.84Å; Y56-W68 HydrophobicContact CE1-CE3 4.11Å; Y56-W68 HydrophobicContact CE1-CH2 4.47Å; Y56-W68 AromaticContact CE1-CZ3 3.85Å; Y56-W68 HydrophobicContact CE1-CZ3 3.85Å; Y56-W68 PolarHBondContact N-O 2.87Å; Y56-W68 PolarHBondContact O-N 2.7Å; Y56-Y81 HydrophobicContact CE1-CE1 4.33Å; Y56-Y81 VanDerWaalsContact CE1-OH 3.24Å; Y56-Y81 WeakPolarHBondContact CE1-OH 3.46Å; Y56-Y81 PolarHBondContact OH-OH 2.94Å
57K92.4Very high84Confident60 Ų6057.4 Ų57.426%0.26131%0.313SS..EExtended strand (participates in β ladder)trans-131.4128.1176.5-173175.1-172.21310110.3R44 E45 T59 V66 E67R44-K57 CarbonylContact C-O 3.58Å; R44-K57 VanDerWaalsContact CA-O 3.26Å; R44-K57 WeakPolarHBondContact CA-O 3.5Å; E45-K57 HydrophobicContact CB-CB 4.29Å; E45-K57 PolarHBondContact N-O 3.26Å; E45-K57 PolarHBondContact O-N 2.86Å; K57-T59 HydrophobicContact CD-CG2 4.43Å; K57-T59 HydrophobicContact CG-CG2 4.05Å; K57-V66 WeakPolarHBondContact CA-O 3.34Å; K57-E67 IonicContact NZ-OE1 3.84Å; K57-E67 IonicContact NZ-OE2 2.76Å; K57-E67 PolarHBondContact NZ-OE2 2.73Å
58D87.2Confident84.1Confident0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-121123170.6-170-29.2000108.7V43 R44 Y56 S61 Q65 V66 Y81V43-D58 WeakPolarHBondContact O-CA 3.44Å; R44-D58 HydrophobicContact CG-CB 4.38Å; R44-D58 IonicContact CZ-OD2 2.63Å; R44-D58 VanDerWaalsContact CZ-OD2 3.25Å; R44-D58 IonicContact NE-OD2 3.25Å; R44-D58 PolarHBondContact NE-OD2 2.82Å; R44-D58 IonicContact NH2-OD2 3.48Å; R44-D58 PolarHBondContact NH2-OD2 2.6Å; Y56-D58 HydrophobicContact CE1-CB 4.08Å; Y56-D58 PolarHBondContact OH-OD2 2.96Å; D58-S61 PolarHBondContact OD1-OG 3.3Å; D58-Q65 WeakPolarHBondContact O-CA 3.39Å; D58-V66 HydrophobicContact CB-CG2 3.78Å; D58-V66 PolarHBondContact N-O 3.4Å; D58-V66 PolarHBondContact O-N 3.43Å; D58-V66 VanDerWaalsContact O-N 3.08Å; D58-Y81 HydrophobicContact CB-CE1 3.96Å
59T83.6Confident84.2Confident31 Ų3154.6 Ų54.619%0.1930%0.301CS..EExtended strand (participates in β ladder)trans-132.7148.3-177.447.30000110.3A42 V43 K57 S61 Q65A42-T59 CarbonylContact C-O 3.57Å; A42-T59 VanDerWaalsContact CA-O 3.31Å; A42-T59 WeakPolarHBondContact CA-O 3.29Å; V43-T59 WeakPolarHBondContact CB-OG1 3.38Å; V43-T59 PolarHBondContact N-O 2.89Å; V43-T59 PolarHBondContact O-N 2.91Å; V43-T59 PolarHBondContact O-OG1 2.81Å; K57-T59 HydrophobicContact CD-CG2 4.43Å; K57-T59 HydrophobicContact CG-CG2 4.05Å; T59-S61 PolarHBondContact O-N 3.25Å; T59-S61 VanDerWaalsContact O-N 3.1Å; T59-Q65 HydrophobicContact CG2-CB 4.43Å; T59-Q65 VanDerWaalsContact CG2-CD 3.43Å; T59-Q65 HydrophobicContact CG2-CG 3.62Å
60G66.2Low84.3Confident44 Ų4452.4 Ų52.445%0.45429%0.289SS..SBendtrans69.37.4167.400000116.3N41 A42N41-G60 CarbonylContact C-O 3.56Å; N41-G60 VanDerWaalsContact C-O 3.3Å; N41-G60 VanDerWaalsContact CB-O 3.29Å; N41-G60 WeakPolarHBondContact CB-O 3.37Å; N41-G60 CarbonylContact O-C 3.13Å; N41-G60 VanDerWaalsContact O-CA 3.31Å; N41-G60 WeakPolarHBondContact O-CA 2.96Å; A42-G60 PolarHBondContact N-O 2.78Å
61S61.8Low84.6Confident16 Ų1647 Ų4711%0.11226%0.26CS..SBendtrans-69.8157.7152.360.60000108.4D58 T59 R63D58-S61 PolarHBondContact OD1-OG 3.3Å; T59-S61 PolarHBondContact O-N 3.25Å; T59-S61 VanDerWaalsContact O-N 3.1Å; S61-R63 PolarHBondContact O-N 3.44Å
62T51.1Low84.7Confident78 Ų7845.3 Ų45.348%0.47925%0.25SS..SBendtrans-64.819.9177.643.40000114.3M37M37-T62 HydrophobicContact CB-CG2 4.31Å; M37-T62 HydrophobicContact CG-CG2 3.28Å; M37-T62 WeakPolarHBondContact CG-OG1 3.41Å; M37-T62 HydrophobicContact SD-CG2 4.44Å; M37-T62 PolarHBondContact SD-OG1 3.02Å
63R63.8Low84.9Confident65 Ų6545.6 Ų45.625%0.24525%0.253CS..SBendtrans-115.5168.6-177.3-58.8-166.5-175.9169.32.4109.9S61 Q65S61-R63 PolarHBondContact O-N 3.44Å; R63-Q65 PolarHBondContact O-N 2.9Å
64S69Low85Confident59 Ų5950.4 Ų50.441%0.41328%0.275SS..  trans-57.6135.7172.3-61.70000110.1V66 Y81S64-V66 PolarHBondContact O-N 3.34Å; S64-Y81 PolarHBondContact N-O 2.79Å
65Q82.1Confident85.1Confident118 Ų11854.6 Ų54.655%0.55130%0.295SS*.  trans-61135.5169.6168.7176.8-15.500109D58 T59 R63D58-Q65 WeakPolarHBondContact O-CA 3.39Å; T59-Q65 HydrophobicContact CG2-CB 4.43Å; T59-Q65 VanDerWaalsContact CG2-CD 3.43Å; T59-Q65 HydrophobicContact CG2-CG 3.62Å; R63-Q65 PolarHBondContact O-N 2.9Å
66V88.4Confident85.2Confident6 Ų655.3 Ų55.34%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-124.7143.7174.9-62.20000110.2Y56 K57 D58 S64 W68 Y81Y56-V66 HydrophobicContact CD1-CG2 4.45Å; Y56-V66 HydrophobicContact CE1-CG2 3.98Å; K57-V66 WeakPolarHBondContact CA-O 3.34Å; D58-V66 HydrophobicContact CB-CG2 3.78Å; D58-V66 PolarHBondContact N-O 3.4Å; D58-V66 PolarHBondContact O-N 3.43Å; D58-V66 VanDerWaalsContact O-N 3.08Å; S64-V66 PolarHBondContact O-N 3.34Å; V66-W68 HydrophobicContact CB-CD2 4.46Å; V66-W68 HydrophobicContact CB-CH2 4.31Å; V66-W68 HydrophobicContact CB-CZ2 3.58Å; V66-W68 HydrophobicContact CG1-CH2 4.46Å; V66-W68 HydrophobicContact CG1-CZ2 3.63Å; V66-W68 HydrophobicContact CG2-CH2 3.97Å; V66-W68 HydrophobicContact CG2-CZ2 3.76Å; V66-Y81 HydrophobicContact CG1-CD1 4.22Å; V66-Y81 HydrophobicContact CG2-CD1 3.85Å; V66-Y81 HydrophobicContact CG2-CE1 3.5Å
67E93.3Very high85.3Confident120 Ų12059.6 Ų59.656%0.56132%0.321SS*.EExtended strand (participates in β ladder)trans-142.1112.3175.1-173.1162.6174.500107.7Y56 K57Y56-E67 CarbonylContact O-C 3.48Å; Y56-E67 VanDerWaalsContact O-CA 3.31Å; Y56-E67 WeakPolarHBondContact O-CA 3.49Å; K57-E67 IonicContact NZ-OE1 3.84Å; K57-E67 IonicContact NZ-OE2 2.76Å; K57-E67 PolarHBondContact NZ-OE2 2.73Å
68W94.8Very high85.4Confident13 Ų1357.6 Ų57.65%0.04932%0.316CS..EExtended strand (participates in β ladder)trans-125.2149.4-174.8-55.3-34.4000110.8S55 Y56 V66 F76 A78 C79 Y81 I88 F90 H103S55-W68 CarbonylContact C-O 3.57Å; S55-W68 VanDerWaalsContact CA-O 3.29Å; S55-W68 WeakPolarHBondContact CA-O 3.23Å; Y56-W68 HydrophobicContact CD1-CD2 4.36Å; Y56-W68 AromaticContact CD1-CE3 3.61Å; Y56-W68 HydrophobicContact CD1-CE3 3.61Å; Y56-W68 AromaticContact CD1-CZ3 3.84Å; Y56-W68 HydrophobicContact CD1-CZ3 3.84Å; Y56-W68 HydrophobicContact CE1-CE3 4.11Å; Y56-W68 HydrophobicContact CE1-CH2 4.47Å; Y56-W68 AromaticContact CE1-CZ3 3.85Å; Y56-W68 HydrophobicContact CE1-CZ3 3.85Å; Y56-W68 PolarHBondContact N-O 2.87Å; Y56-W68 PolarHBondContact O-N 2.7Å; V66-W68 HydrophobicContact CB-CD2 4.46Å; V66-W68 HydrophobicContact CB-CH2 4.31Å; V66-W68 HydrophobicContact CB-CZ2 3.58Å; V66-W68 HydrophobicContact CG1-CH2 4.46Å; V66-W68 HydrophobicContact CG1-CZ2 3.63Å; V66-W68 HydrophobicContact CG2-CH2 3.97Å; V66-W68 HydrophobicContact CG2-CZ2 3.76Å; W68-F76 HydrophobicContact CB-CE2 3.88Å; W68-F76 HydrophobicContact CB-CZ 3.94Å; W68-F76 HydrophobicContact CD2-CE2 4.22Å; W68-F76 HydrophobicContact CD2-CZ 4.2Å; W68-F76 HydrophobicContact CE3-CZ 4.21Å; W68-F76 AromaticContact CG-CE2 3.86Å; W68-F76 HydrophobicContact CG-CE2 3.86Å; W68-F76 HydrophobicContact CG-CZ 4.11Å; W68-A78 HydrophobicContact CG-CB 4.41Å; W68-C79 WeakPolarHBondContact CZ2-O 3.2Å; W68-C79 PolarHBondContact NE1-O 3.29Å; W68-Y81 HydrophobicContact CH2-CD2 4.49Å; W68-Y81 HydrophobicContact CH2-CE1 4.36Å; W68-Y81 AromaticContact CH2-CE2 3.89Å; W68-Y81 HydrophobicContact CH2-CE2 3.89Å; W68-Y81 AromaticContact CH2-CZ 3.81Å; W68-I88 HydrophobicContact CD2-CD1 4.04Å; W68-I88 HydrophobicContact CE3-CD1 4.11Å; W68-I88 HydrophobicContact CE3-CG2 4.48Å; W68-I88 HydrophobicContact CH2-CD1 3.72Å; W68-I88 HydrophobicContact CZ2-CD1 3.58Å; W68-I88 HydrophobicContact CZ3-CD1 3.95Å; W68-I88 HydrophobicContact CZ3-CG2 4.36Å; W68-F90 AromaticContact CE3-CE2 3.91Å; W68-F90 HydrophobicContact CE3-CE2 3.91Å; W68-F90 AromaticContact CE3-CZ 3.99Å; W68-F90 HydrophobicContact CE3-CZ 3.99Å; W68-F90 HydrophobicContact CZ3-CE2 4.25Å; W68-F90 HydrophobicContact CZ3-CZ 4.02Å; W68-H103 AromaticContact CH2-CE1 3.51Å; W68-H103 AromaticContact CH2-NE2 3.91Å
69T95.4Very high85.5Confident81 Ų8160.4 Ų60.450%0.49733%0.334SS..EExtended strand (participates in β ladder)trans-119128.8168.8-60.30000108.4T53 F54 S55T53-T69 HydrophobicContact CG2-CG2 4.35Å; T53-T69 WeakPolarHBondContact OG1-CG2 3.28Å; F54-T69 CarbonylContact O-C 3.55Å; F54-T69 VanDerWaalsContact O-CA 3.3Å; F54-T69 WeakPolarHBondContact O-CA 3.31Å; S55-T69 PolarHBondContact OG-OG1 2.76Å
70F95.3Very high85.8Confident7 Ų759 Ų593%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-145.8160.1-171.165.6-83.4000112.6M1 F54 I72 F76 F90M1-F70 HydrophobicContact CE-CZ 4.27Å; F54-F70 HydrophobicContact CB-CD1 4.32Å; F54-F70 HydrophobicContact CB-CD2 4.37Å; F54-F70 HydrophobicContact CB-CE1 3.79Å; F54-F70 HydrophobicContact CB-CE2 3.89Å; F54-F70 HydrophobicContact CB-CZ 3.58Å; F54-F70 HydrophobicContact CD2-CE2 4.46Å; F54-F70 HydrophobicContact CG-CE2 4.44Å; F54-F70 HydrophobicContact CG-CZ 4.42Å; F54-F70 PolarHBondContact N-O 2.77Å; F54-F70 WeakPolarHBondContact O-CD1 3.42Å; F54-F70 PolarHBondContact O-N 3.01Å; F70-I72 HydrophobicContact CD2-CD1 4.41Å; F70-I72 HydrophobicContact CE2-CD1 3.76Å; F70-F76 HydrophobicContact CB-CD1 3.93Å; F70-F76 HydrophobicContact CB-CE1 3.49Å; F70-F76 VanDerWaalsContact CB-CE1 3.49Å; F70-F76 HydrophobicContact CB-CZ 4.12Å; F70-F76 HydrophobicContact CG-CE1 4.34Å; F70-F90 HydrophobicContact CB-CD2 4.32Å; F70-F90 AromaticContact CD1-CD2 3.99Å; F70-F90 HydrophobicContact CD1-CD2 3.99Å; F70-F90 HydrophobicContact CD1-CE2 4.1Å; F70-F90 HydrophobicContact CD2-CB 3.57Å; F70-F90 AromaticContact CD2-CD2 3.59Å; F70-F90 HydrophobicContact CD2-CD2 3.59Å; F70-F90 HydrophobicContact CD2-CE2 4.48Å; F70-F90 AromaticContact CD2-CG 3.73Å; F70-F90 HydrophobicContact CD2-CG 3.73Å; F70-F90 HydrophobicContact CE1-CD2 4.19Å; F70-F90 HydrophobicContact CE1-CE2 4.22Å; F70-F90 HydrophobicContact CE1-CG 4.49Å; F70-F90 HydrophobicContact CE2-CB 3.46Å; F70-F90 VanDerWaalsContact CE2-CB 3.46Å; F70-F90 HydrophobicContact CE2-CD1 4.11Å; F70-F90 AromaticContact CE2-CD2 3.78Å; F70-F90 HydrophobicContact CE2-CD2 3.78Å; F70-F90 AromaticContact CE2-CG 3.52Å; F70-F90 HydrophobicContact CE2-CG 3.52Å; F70-F90 AromaticContact CG-CD2 3.69Å; F70-F90 HydrophobicContact CG-CD2 3.69Å; F70-F90 HydrophobicContact CG-CE2 4.24Å; F70-F90 HydrophobicContact CG-CG 4.29Å; F70-F90 HydrophobicContact CZ-CB 4.35Å; F70-F90 HydrophobicContact CZ-CD1 4.17Å; F70-F90 HydrophobicContact CZ-CD2 4.08Å; F70-F90 HydrophobicContact CZ-CE1 4.49Å; F70-F90 HydrophobicContact CZ-CE2 4.43Å; F70-F90 AromaticContact CZ-CG 3.94Å; F70-F90 HydrophobicContact CZ-CG 3.94Å
71R94.9Very high86.5Confident101 Ų10157.3 Ų57.338%0.38131%0.306SS..  trans-109143.2165.2-67.2-176.3-179.7-84.7-7108.8D51 T53 G73 E74D51-R71 PolarHBondContact O-NH1 3.36Å; D51-R71 PolarHBondContact O-NH2 2.79Å; T53-R71 HydrophobicContact CG2-CG 3.83Å; R71-G73 PolarHBondContact O-N 2.83Å; R71-E74 HydrophobicContact CB-CB 4.19Å; R71-E74 HydrophobicContact CB-CG 4.04Å; R71-E74 WeakPolarHBondContact CD-OE1 3.48Å; R71-E74 WeakPolarHBondContact CD-OE2 3.26Å; R71-E74 PolarHBondContact O-N 3.45Å
72I94.2Very high87.2Confident61 Ų6160 Ų6031%0.31332%0.319SS..THydrogen-bonded Turntrans-63.8129.1178.1-61.5-69.3000109.1M1 F54 F70 E74 F90 F92 L99M1-I72 HydrophobicContact SD-CD1 4.35Å; F54-I72 HydrophobicContact CD2-CD1 4.49Å; F54-I72 HydrophobicContact CD2-CG1 4.01Å; F54-I72 HydrophobicContact CE2-CG1 3.77Å; F70-I72 HydrophobicContact CD2-CD1 4.41Å; F70-I72 HydrophobicContact CE2-CD1 3.76Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-F90 HydrophobicContact CD1-CB 4.26Å; I72-F92 HydrophobicContact CD1-CB 4.49Å; I72-F92 HydrophobicContact CG2-CB 4.13Å; I72-L99 HydrophobicContact CD1-CD1 3.67Å
73G94.3Very high88.6Confident39 Ų3958.3 Ų58.340%0.40232%0.317SS..THydrogen-bonded Turntrans87.9-8.7-179.800000115R71 K89 F90R71-G73 PolarHBondContact O-N 2.83Å; G73-K89 WeakPolarHBondContact O-CE 3.45Å; G73-F90 PolarHBondContact N-O 3.2Å
74E95.7Very high89.7Confident112 Ų11258.2 Ų58.252%0.52332%0.319SS..  trans-96.7140.1177.6-66.3-179.6-164.300111.2R71 I72R71-E74 HydrophobicContact CB-CB 4.19Å; R71-E74 HydrophobicContact CB-CG 4.04Å; R71-E74 WeakPolarHBondContact CD-OE1 3.48Å; R71-E74 WeakPolarHBondContact CD-OE2 3.26Å; R71-E74 PolarHBondContact O-N 3.45Å; I72-E74 VanDerWaalsContact C-N 3.33Å
75E96.3Very high90.8Very high111 Ų11159.8 Ų59.852%0.51932%0.322SS..EExtended strand (participates in β ladder)trans-89.7139.5173.7-178.7176.2101.600109.7K87 I88E75-K87 HydrophobicContact CG-CB 4.09Å; E75-K87 VanDerWaalsContact OE1-CD 3.31Å; E75-K87 WeakPolarHBondContact OE1-CD 3.03Å; E75-K87 IonicContact OE1-NZ 2.74Å; E75-I88 WeakPolarHBondContact CA-O 3.42Å
76F96.6Very high91.4Very high40 Ų4054.3 Ų54.318%0.17530%0.297CS..EExtended strand (participates in β ladder)trans-138.1160172.965.9-80.9000110.5W68 F70 A78 K87 I88 F90W68-F76 HydrophobicContact CB-CE2 3.88Å; W68-F76 HydrophobicContact CB-CZ 3.94Å; W68-F76 HydrophobicContact CD2-CE2 4.22Å; W68-F76 HydrophobicContact CD2-CZ 4.2Å; W68-F76 HydrophobicContact CE3-CZ 4.21Å; W68-F76 AromaticContact CG-CE2 3.86Å; W68-F76 HydrophobicContact CG-CE2 3.86Å; W68-F76 HydrophobicContact CG-CZ 4.11Å; F70-F76 HydrophobicContact CB-CD1 3.93Å; F70-F76 HydrophobicContact CB-CE1 3.49Å; F70-F76 VanDerWaalsContact CB-CE1 3.49Å; F70-F76 HydrophobicContact CB-CZ 4.12Å; F70-F76 HydrophobicContact CG-CE1 4.34Å; F76-A78 HydrophobicContact CD2-CB 3.9Å; F76-A78 HydrophobicContact CE2-CB 3.71Å; F76-K87 WeakPolarHBondContact O-CA 3.39Å; F76-I88 HydrophobicContact CD1-CB 4.4Å; F76-I88 VanDerWaalsContact CD1-O 3.29Å; F76-I88 WeakPolarHBondContact CD1-O 3.38Å; F76-I88 HydrophobicContact CE1-CB 3.85Å; F76-I88 HydrophobicContact CE1-CG2 3.8Å; F76-I88 HydrophobicContact CE2-CB 4.03Å; F76-I88 HydrophobicContact CE2-CD1 4.11Å; F76-I88 HydrophobicContact CE2-CG2 4.42Å; F76-I88 HydrophobicContact CZ-CB 3.65Å; F76-I88 HydrophobicContact CZ-CD1 4.25Å; F76-I88 HydrophobicContact CZ-CG2 3.62Å; F76-I88 PolarHBondContact N-O 3.12Å; F76-I88 PolarHBondContact O-N 3.17Å; F76-F90 AromaticContact CE1-CD2 3.99Å; F76-F90 HydrophobicContact CE1-CD2 3.99Å; F76-F90 HydrophobicContact CE1-CE2 4.15Å; F76-F90 HydrophobicContact CZ-CD2 4.37Å; F76-F90 HydrophobicContact CZ-CE2 4.06Å
77V95.6Very high91.8Very high89 Ų8958.2 Ų58.254%0.53931%0.313SS..EExtended strand (participates in β ladder)trans-103.5126.5175.4179.60000109.2D85 H86 K87 V106V77-D85 HydrophobicContact CG1-CB 4.19Å; V77-H86 WeakPolarHBondContact CA-O 3.45Å; V77-K87 HydrophobicContact CG2-CG 3.99Å; V77-V106 HydrophobicContact CG1-CG2 4.15Å
78A93.6Very high91.9Very high19 Ų1952.5 Ų52.516%0.15729%0.287CS..EExtended strand (participates in β ladder)trans-152.4160.9174.600000111.9W68 F76 S80 H86 I88W68-A78 HydrophobicContact CG-CB 4.41Å; F76-A78 HydrophobicContact CD2-CB 3.9Å; F76-A78 HydrophobicContact CE2-CB 3.71Å; A78-S80 PolarHBondContact O-N 3.16Å; A78-H86 PolarHBondContact N-O 2.82Å; A78-H86 PolarHBondContact O-N 3.33Å; A78-I88 HydrophobicContact CB-CD1 4.2Å
79C90.6Very high92Very high58 Ų5854.8 Ų54.839%0.39230%0.297SS..EExtended strand (participates in β ladder)trans-66.2125.2171.9-175.30000110.1W68 G83 K84 D85W68-C79 WeakPolarHBondContact CZ2-O 3.2Å; W68-C79 PolarHBondContact NE1-O 3.29Å; C79-G83 VanDerWaalsContact SG-CA 3.59Å; C79-G83 PolarHBondContact SG-O 2.99Å; C79-K84 CarbonylContact C-O 3.41Å; C79-K84 WeakPolarHBondContact CA-O 3.47Å; C79-D85 PolarHBondContact N-OD1 3.24Å
80S87.9Confident92Very high3 Ų350.9 Ų50.92%0.02127%0.273CS..  trans-90.2178.2-176.7-179.30000111.9A78 D82 G83 K84 H86 H103A78-S80 PolarHBondContact O-N 3.16Å; S80-D82 WeakPolarHBondContact CB-OD1 3.43Å; S80-D82 PolarHBondContact O-N 3.39Å; S80-D82 VanDerWaalsContact O-N 3.11Å; S80-G83 PolarHBondContact O-N 2.63Å; S80-K84 WeakPolarHBondContact CB-O 3.27Å; S80-K84 PolarHBondContact N-O 3.26Å; S80-H86 WeakPolarHBondContact CB-CD2 3.4Å; S80-H86 PolarHBondContact OG-CE1 3.44Å; S80-H86 PolarHBondContact OG-ND1 2.9Å; S80-H103 PolarHBondContact OG-ND1 2.97Å
81Y81.5Confident92Very high7 Ų753 Ų533%0.02728%0.283CS..THydrogen-bonded Turntrans-60.1-22.2-178.4-49.9-79.5000114.6Y56 D58 S64 V66 W68 E101 W126Y56-Y81 HydrophobicContact CE1-CE1 4.33Å; Y56-Y81 VanDerWaalsContact CE1-OH 3.24Å; Y56-Y81 WeakPolarHBondContact CE1-OH 3.46Å; Y56-Y81 PolarHBondContact OH-OH 2.94Å; D58-Y81 HydrophobicContact CB-CE1 3.96Å; S64-Y81 PolarHBondContact N-O 2.79Å; V66-Y81 HydrophobicContact CG1-CD1 4.22Å; V66-Y81 HydrophobicContact CG2-CD1 3.85Å; V66-Y81 HydrophobicContact CG2-CE1 3.5Å; W68-Y81 HydrophobicContact CH2-CD2 4.49Å; W68-Y81 HydrophobicContact CH2-CE1 4.36Å; W68-Y81 AromaticContact CH2-CE2 3.89Å; W68-Y81 HydrophobicContact CH2-CE2 3.89Å; W68-Y81 AromaticContact CH2-CZ 3.81Å; Y81-E101 VanDerWaalsContact CE2-OE1 3.23Å; Y81-E101 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E101 VanDerWaalsContact CZ-OE1 3.31Å; Y81-E101 PolarHBondContact OH-OE1 3.28Å; Y81-W126 HydrophobicContact CE2-CZ2 4.22Å
82D76.9Confident91.9Very high72 Ų7250.8 Ų50.839%0.38528%0.276SS..THydrogen-bonded Turntrans-91.53.2177.763.3-8.5000113.3S80 K84 H86S80-D82 WeakPolarHBondContact CB-OD1 3.43Å; S80-D82 PolarHBondContact O-N 3.39Å; S80-D82 VanDerWaalsContact O-N 3.11Å; D82-K84 VanDerWaalsContact C-N 3.31Å; D82-K84 PolarHBondContact OD1-N 2.81Å; D82-H86 IonicContact OD1-CD2 3.25Å; D82-H86 IonicContact OD1-CE1 2.75Å; D82-H86 IonicContact OD1-NE2 2.97Å; D82-H86 PolarHBondContact OD1-NE2 2.8Å; D82-H86 IonicContact OD2-CE1 3.55Å; D82-H86 IonicContact OD2-NE2 3.77Å; D82-H86 PolarHBondContact OD2-NE2 2.82Å
83G81.5Confident91.7Very high43 Ų4350.6 Ų50.644%0.44328%0.276SS..SBendtrans81.14.418000000114.7C79 S80C79-G83 VanDerWaalsContact SG-CA 3.59Å; C79-G83 PolarHBondContact SG-O 2.99Å; S80-G83 PolarHBondContact O-N 2.63Å
84K86.3Confident91.4Very high63 Ų6352.9 Ų52.927%0.27429%0.286SS..SBendtrans-99.7157.2177.1-66.4-170.3166.5-1400111.8C79 S80 D82 H86 I105 E107C79-K84 CarbonylContact C-O 3.41Å; C79-K84 WeakPolarHBondContact CA-O 3.47Å; S80-K84 WeakPolarHBondContact CB-O 3.27Å; S80-K84 PolarHBondContact N-O 3.26Å; D82-K84 VanDerWaalsContact C-N 3.31Å; D82-K84 PolarHBondContact OD1-N 2.81Å; K84-H86 PolarHBondContact O-CD2 3.29Å; K84-H86 VanDerWaalsContact O-CD2 3.28Å; K84-I105 HydrophobicContact CD-CG2 4.23Å; K84-E107 IonicContact NZ-OE2 3.51Å; K84-E107 PolarHBondContact NZ-OE2 3.18Å
85D92.2Very high90.8Very high92 Ų9252.5 Ų52.549%0.49230%0.296SS..EExtended strand (participates in β ladder)trans-77126.5172.8-71.6-23.2000111.4V77 C79 V106V77-D85 HydrophobicContact CG1-CB 4.19Å; C79-D85 PolarHBondContact N-OD1 3.24Å; D85-V106 HydrophobicContact CB-CG2 4.24Å; D85-V106 WeakPolarHBondContact O-CG2 3.22Å; D85-V106 PolarHBondContact O-N 3.28Å
86H94.4Very high90.2Very high3 Ų349 Ų491%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-120.4146.7178.5-72.9-142.6000109.5V77 A78 S80 D82 K84 I88 H103 V104V77-H86 WeakPolarHBondContact CA-O 3.45Å; A78-H86 PolarHBondContact N-O 2.82Å; A78-H86 PolarHBondContact O-N 3.33Å; S80-H86 WeakPolarHBondContact CB-CD2 3.4Å; S80-H86 PolarHBondContact OG-CE1 3.44Å; S80-H86 PolarHBondContact OG-ND1 2.9Å; D82-H86 IonicContact OD1-CD2 3.25Å; D82-H86 IonicContact OD1-CE1 2.75Å; D82-H86 IonicContact OD1-NE2 2.97Å; D82-H86 PolarHBondContact OD1-NE2 2.8Å; D82-H86 IonicContact OD2-CE1 3.55Å; D82-H86 IonicContact OD2-NE2 3.77Å; D82-H86 PolarHBondContact OD2-NE2 2.82Å; K84-H86 PolarHBondContact O-CD2 3.29Å; K84-H86 VanDerWaalsContact O-CD2 3.28Å; H86-I88 HydrophobicContact CB-CD1 4.32Å; H86-I88 HydrophobicContact CB-CG1 3.81Å; H86-H103 AromaticContact CG-ND1 3.85Å; H86-H103 WeakPolarHBondContact ND1-CB 3.46Å; H86-H103 AromaticContact ND1-CG 3.72Å; H86-H103 AromaticContact ND1-ND1 3.22Å; H86-H103 PolarHBondContact ND1-ND1 2.8Å; H86-V104 CarbonylContact C-O 3.58Å; H86-V104 VanDerWaalsContact CA-O 3.26Å; H86-V104 WeakPolarHBondContact CA-O 3.38Å
87K96.3Very high89.8Confident88 Ų8851.6 Ų51.638%0.38330%0.301SS..EExtended strand (participates in β ladder)trans-77117.7156.3-73.1174.1168.5-151.60108E75 F76 V77 H103 V104 V106E75-K87 HydrophobicContact CG-CB 4.09Å; E75-K87 VanDerWaalsContact OE1-CD 3.31Å; E75-K87 WeakPolarHBondContact OE1-CD 3.03Å; E75-K87 IonicContact OE1-NZ 2.74Å; F76-K87 WeakPolarHBondContact O-CA 3.39Å; V77-K87 HydrophobicContact CG2-CG 3.99Å; K87-H103 WeakPolarHBondContact O-CA 3.42Å; K87-V104 HydrophobicContact CB-CB 4.36Å; K87-V104 PolarHBondContact N-O 3.05Å; K87-V104 PolarHBondContact O-N 2.92Å; K87-V106 HydrophobicContact CG-CG2 4.21Å
88I96.1Very high89.6Confident0 Ų050.3 Ų50.30%029%0.288CS..EExtended strand (participates in β ladder)trans-117.1133.8-173.9-54.4175.3000108.8W68 E75 F76 A78 H86 F90 K102W68-I88 HydrophobicContact CD2-CD1 4.04Å; W68-I88 HydrophobicContact CE3-CD1 4.11Å; W68-I88 HydrophobicContact CE3-CG2 4.48Å; W68-I88 HydrophobicContact CH2-CD1 3.72Å; W68-I88 HydrophobicContact CZ2-CD1 3.58Å; W68-I88 HydrophobicContact CZ3-CD1 3.95Å; W68-I88 HydrophobicContact CZ3-CG2 4.36Å; E75-I88 WeakPolarHBondContact CA-O 3.42Å; F76-I88 HydrophobicContact CD1-CB 4.4Å; F76-I88 VanDerWaalsContact CD1-O 3.29Å; F76-I88 WeakPolarHBondContact CD1-O 3.38Å; F76-I88 HydrophobicContact CE1-CB 3.85Å; F76-I88 HydrophobicContact CE1-CG2 3.8Å; F76-I88 HydrophobicContact CE2-CB 4.03Å; F76-I88 HydrophobicContact CE2-CD1 4.11Å; F76-I88 HydrophobicContact CE2-CG2 4.42Å; F76-I88 HydrophobicContact CZ-CB 3.65Å; F76-I88 HydrophobicContact CZ-CD1 4.25Å; F76-I88 HydrophobicContact CZ-CG2 3.62Å; F76-I88 PolarHBondContact N-O 3.12Å; F76-I88 PolarHBondContact O-N 3.17Å; A78-I88 HydrophobicContact CB-CD1 4.2Å; H86-I88 HydrophobicContact CB-CD1 4.32Å; H86-I88 HydrophobicContact CB-CG1 3.81Å; I88-F90 HydrophobicContact CG2-CD2 4.13Å; I88-F90 HydrophobicContact CG2-CE2 3.69Å; I88-F90 HydrophobicContact CG2-CZ 4.46Å; I88-K102 VanDerWaalsContact CA-O 3.29Å; I88-K102 WeakPolarHBondContact CA-O 3.32Å
89K96.7Very high89.6Confident61 Ų6149.4 Ų49.427%0.26528%0.281SS..EExtended strand (participates in β ladder)trans-135129.2175.4-169.2-173.1-170.4-170.10110.1G73 E91 K102G73-K89 WeakPolarHBondContact O-CE 3.45Å; K89-E91 HydrophobicContact CD-CG 4.07Å; K89-E91 WeakPolarHBondContact CE-OE1 3.26Å; K89-E91 HydrophobicContact CG-CG 4.22Å; K89-E91 IonicContact NZ-OE1 3.91Å; K89-E91 PolarHBondContact NZ-OE1 3.22Å; K89-K102 PolarHBondContact N-O 3.46Å; K89-K102 PolarHBondContact O-N 2.96Å
90F95.5Very high89.7Confident0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-102.8124.7172.4-75.8-88.3000110.6W68 F70 I72 G73 F76 I88 L99 L100 E101W68-F90 AromaticContact CE3-CE2 3.91Å; W68-F90 HydrophobicContact CE3-CE2 3.91Å; W68-F90 AromaticContact CE3-CZ 3.99Å; W68-F90 HydrophobicContact CE3-CZ 3.99Å; W68-F90 HydrophobicContact CZ3-CE2 4.25Å; W68-F90 HydrophobicContact CZ3-CZ 4.02Å; F70-F90 HydrophobicContact CB-CD2 4.32Å; F70-F90 AromaticContact CD1-CD2 3.99Å; F70-F90 HydrophobicContact CD1-CD2 3.99Å; F70-F90 HydrophobicContact CD1-CE2 4.1Å; F70-F90 HydrophobicContact CD2-CB 3.57Å; F70-F90 AromaticContact CD2-CD2 3.59Å; F70-F90 HydrophobicContact CD2-CD2 3.59Å; F70-F90 HydrophobicContact CD2-CE2 4.48Å; F70-F90 AromaticContact CD2-CG 3.73Å; F70-F90 HydrophobicContact CD2-CG 3.73Å; F70-F90 HydrophobicContact CE1-CD2 4.19Å; F70-F90 HydrophobicContact CE1-CE2 4.22Å; F70-F90 HydrophobicContact CE1-CG 4.49Å; F70-F90 HydrophobicContact CE2-CB 3.46Å; F70-F90 VanDerWaalsContact CE2-CB 3.46Å; F70-F90 HydrophobicContact CE2-CD1 4.11Å; F70-F90 AromaticContact CE2-CD2 3.78Å; F70-F90 HydrophobicContact CE2-CD2 3.78Å; F70-F90 AromaticContact CE2-CG 3.52Å; F70-F90 HydrophobicContact CE2-CG 3.52Å; F70-F90 AromaticContact CG-CD2 3.69Å; F70-F90 HydrophobicContact CG-CD2 3.69Å; F70-F90 HydrophobicContact CG-CE2 4.24Å; F70-F90 HydrophobicContact CG-CG 4.29Å; F70-F90 HydrophobicContact CZ-CB 4.35Å; F70-F90 HydrophobicContact CZ-CD1 4.17Å; F70-F90 HydrophobicContact CZ-CD2 4.08Å; F70-F90 HydrophobicContact CZ-CE1 4.49Å; F70-F90 HydrophobicContact CZ-CE2 4.43Å; F70-F90 AromaticContact CZ-CG 3.94Å; F70-F90 HydrophobicContact CZ-CG 3.94Å; I72-F90 HydrophobicContact CD1-CB 4.26Å; G73-F90 PolarHBondContact N-O 3.2Å; F76-F90 AromaticContact CE1-CD2 3.99Å; F76-F90 HydrophobicContact CE1-CD2 3.99Å; F76-F90 HydrophobicContact CE1-CE2 4.15Å; F76-F90 HydrophobicContact CZ-CD2 4.37Å; F76-F90 HydrophobicContact CZ-CE2 4.06Å; I88-F90 HydrophobicContact CG2-CD2 4.13Å; I88-F90 HydrophobicContact CG2-CE2 3.69Å; I88-F90 HydrophobicContact CG2-CZ 4.46Å; F90-L99 HydrophobicContact CB-CD1 4.17Å; F90-L99 HydrophobicContact CD1-CD1 4.1Å; F90-L99 HydrophobicContact CD1-CD2 3.8Å; F90-L99 HydrophobicContact CD1-CG 3.89Å; F90-L99 HydrophobicContact CE1-CD2 4.19Å; F90-L100 CarbonylContact C-O 3.51Å; F90-L100 VanDerWaalsContact CA-O 3.28Å; F90-L100 WeakPolarHBondContact CA-O 3.31Å; F90-E101 HydrophobicContact CD1-CB 3.96Å; F90-E101 HydrophobicContact CD1-CG 4.44Å; F90-E101 HydrophobicContact CE1-CB 3.59Å; F90-E101 HydrophobicContact CE1-CG 3.73Å; F90-E101 HydrophobicContact CZ-CB 4.18Å; F90-E101 HydrophobicContact CZ-CG 3.78Å
91E94.3Very high90Very high52 Ų5248.3 Ų48.324%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-123.1130.1177.3-66180144.200109.5K89 L100 K102K89-E91 HydrophobicContact CD-CG 4.07Å; K89-E91 WeakPolarHBondContact CE-OE1 3.26Å; K89-E91 HydrophobicContact CG-CG 4.22Å; K89-E91 IonicContact NZ-OE1 3.91Å; K89-E91 PolarHBondContact NZ-OE1 3.22Å; E91-L100 HydrophobicContact CB-CB 4.41Å; E91-L100 PolarHBondContact N-O 3.37Å; E91-L100 PolarHBondContact O-N 2.82Å; E91-K102 WeakPolarHBondContact OE2-CE 3.34Å; E91-K102 IonicContact OE2-NZ 2.79Å; E91-K102 PolarHBondContact OE2-NZ 2.69Å
92F93.2Very high90.6Very high54 Ų5451.1 Ų51.124%0.23728%0.283CS..EExtended strand (participates in β ladder)trans-97.7115.1176.3-172.5-105000110M1 L4 I72 S94 K98 L99M1-F92 HydrophobicContact CB-CD2 4.18Å; M1-F92 HydrophobicContact CB-CE2 4.46Å; M1-F92 HydrophobicContact CB-CG 4.27Å; M1-F92 HydrophobicContact SD-CD2 4.49Å; L4-F92 HydrophobicContact CD1-CE2 4.31Å; I72-F92 HydrophobicContact CD1-CB 4.49Å; I72-F92 HydrophobicContact CG2-CB 4.13Å; F92-S94 PolarHBondContact O-N 3.42Å; F92-K98 WeakPolarHBondContact CD2-O 3.31Å; F92-L99 HydrophobicContact CB-CD1 4.37Å; F92-L99 HydrophobicContact CD2-CB 4.25Å; F92-L99 HydrophobicContact CD2-CD1 4.44Å
93D91.4Very high91.4Very high57 Ų5747.7 Ų47.731%0.30527%0.265SS..EExtended strand (participates in β ladder)trans-84.8105.2170.2174.417.3000109.5S95 G96 Q97 K98D93-S95 VanDerWaalsContact C-N 3.25Å; D93-S95 PolarHBondContact O-N 2.95Å; D93-S95 WeakPolarHBondContact OD1-CB 3.27Å; D93-S95 PolarHBondContact OD1-N 2.98Å; D93-S95 PolarHBondContact OD1-OG 3.41Å; D93-S95 PolarHBondContact OD2-OG 3.49Å; D93-G96 PolarHBondContact OD1-N 3.11Å; D93-G96 PolarHBondContact OD2-N 3.47Å; D93-Q97 WeakPolarHBondContact O-CA 3.47Å; D93-Q97 PolarHBondContact O-N 3.44Å; D93-K98 PolarHBondContact N-O 3.22Å; D93-K98 PolarHBondContact O-N 2.87Å; D93-K98 VanDerWaalsContact O-N 3.16Å
94S86.4Confident92Very high87 Ų8747.1 Ų47.161%0.60825%0.253SS*.THydrogen-bonded Turntrans-66.3-26.4178.353.60000113.3F92 Q97F92-S94 PolarHBondContact O-N 3.42Å; S94-Q97 PolarHBondContact O-NE2 2.98Å
95S84.3Confident92.2Very high104 Ų10444.9 Ų44.973%0.72724%0.244SC*.THydrogen-bonded Turntrans-75.3-42.6-177.572.10000111.8D93D93-S95 VanDerWaalsContact C-N 3.25Å; D93-S95 PolarHBondContact O-N 2.95Å; D93-S95 WeakPolarHBondContact OD1-CB 3.27Å; D93-S95 PolarHBondContact OD1-N 2.98Å; D93-S95 PolarHBondContact OD1-OG 3.41Å; D93-S95 PolarHBondContact OD2-OG 3.49Å
96G82.4Confident92.1Very high36 Ų3643.8 Ų43.837%0.37124%0.24SC..THydrogen-bonded Turntrans-90-5.8175.600000115.2D93 K98D93-G96 PolarHBondContact OD1-N 3.11Å; D93-G96 PolarHBondContact OD2-N 3.47Å; G96-K98 VanDerWaalsContact O-CG 3.27Å; G96-K98 WeakPolarHBondContact O-CG 3.43Å; G96-K98 PolarHBondContact O-N 3.38Å
97Q88.4Confident91.9Very high95 Ų9550.7 Ų50.744%0.44427%0.273SS..THydrogen-bonded Turntrans53.338.6-169.6-66.5-68-52.900112.7D93 S94D93-Q97 WeakPolarHBondContact O-CA 3.47Å; D93-Q97 PolarHBondContact O-N 3.44Å; S94-Q97 PolarHBondContact O-NE2 2.98Å
98K92.6Very high91.5Very high62 Ų6249.6 Ų49.627%0.2727%0.271SS..EExtended strand (participates in β ladder)trans-114.6143.1-177.2-52.6-164.7171.7-179.70111.5F92 D93 G96 E116 H117 Y118F92-K98 WeakPolarHBondContact CD2-O 3.31Å; D93-K98 PolarHBondContact N-O 3.22Å; D93-K98 PolarHBondContact O-N 2.87Å; D93-K98 VanDerWaalsContact O-N 3.16Å; G96-K98 VanDerWaalsContact O-CG 3.27Å; G96-K98 WeakPolarHBondContact O-CG 3.43Å; G96-K98 PolarHBondContact O-N 3.38Å; K98-E116 WeakPolarHBondContact CD-OE2 3.5Å; K98-E116 IonicContact NZ-OE2 2.78Å; K98-E116 PolarHBondContact NZ-OE2 3.39Å; K98-H117 CarbonylContact C-O 3.59Å; K98-H117 WeakPolarHBondContact CA-O 3.35Å; K98-Y118 HydrophobicContact CD-CD1 4.34Å
99L93.3Very high91Very high0 Ų054.1 Ų54.10%030%0.3CS..EExtended strand (participates in β ladder)trans-100.3119.4166.8178.473.1000108.6M1 L4 F46 I72 F90 F92 E116 H117M1-L99 HydrophobicContact CE-CD2 4.15Å; M1-L99 HydrophobicContact SD-CD1 4.06Å; M1-L99 HydrophobicContact SD-CD2 4.12Å; L4-L99 HydrophobicContact CD1-CB 3.58Å; L4-L99 HydrophobicContact CD1-CD2 4.32Å; F46-L99 HydrophobicContact CD1-CD2 4.38Å; F46-L99 HydrophobicContact CE1-CD2 3.65Å; F46-L99 HydrophobicContact CZ-CD2 4.2Å; I72-L99 HydrophobicContact CD1-CD1 3.67Å; F90-L99 HydrophobicContact CB-CD1 4.17Å; F90-L99 HydrophobicContact CD1-CD1 4.1Å; F90-L99 HydrophobicContact CD1-CD2 3.8Å; F90-L99 HydrophobicContact CD1-CG 3.89Å; F90-L99 HydrophobicContact CE1-CD2 4.19Å; F92-L99 HydrophobicContact CB-CD1 4.37Å; F92-L99 HydrophobicContact CD2-CB 4.25Å; F92-L99 HydrophobicContact CD2-CD1 4.44Å; L99-E116 CarbonylContact O-C 3.38Å; L99-E116 WeakPolarHBondContact O-CA 3.29Å; L99-H117 HydrophobicContact CB-CB 4.17Å; L99-H117 PolarHBondContact N-O 3.35Å; L99-H117 PolarHBondContact O-N 3.01Å
100L93.3Very high90.4Very high38 Ų3855.5 Ų55.520%0.19932%0.318CS..EExtended strand (participates in β ladder)trans-93.8129.1177.3-56178.1000109.1F90 E91 Y115 E116F90-L100 CarbonylContact C-O 3.51Å; F90-L100 VanDerWaalsContact CA-O 3.28Å; F90-L100 WeakPolarHBondContact CA-O 3.31Å; E91-L100 HydrophobicContact CB-CB 4.41Å; E91-L100 PolarHBondContact N-O 3.37Å; E91-L100 PolarHBondContact O-N 2.82Å; L100-Y115 WeakPolarHBondContact CA-O 3.48Å; L100-E116 HydrophobicContact CD2-CB 4.22Å; L100-E116 HydrophobicContact CD2-CG 3.81Å
101E93.8Very high89.6Confident0 Ų059.5 Ų59.50%034%0.336CS..EExtended strand (participates in β ladder)trans-115.2108.1178.2168.2-170.8-173.900107.6Y81 F90 H103 T114 Y115 H117 W126Y81-E101 VanDerWaalsContact CE2-OE1 3.23Å; Y81-E101 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E101 VanDerWaalsContact CZ-OE1 3.31Å; Y81-E101 PolarHBondContact OH-OE1 3.28Å; F90-E101 HydrophobicContact CD1-CB 3.96Å; F90-E101 HydrophobicContact CD1-CG 4.44Å; F90-E101 HydrophobicContact CE1-CB 3.59Å; F90-E101 HydrophobicContact CE1-CG 3.73Å; F90-E101 HydrophobicContact CZ-CB 4.18Å; F90-E101 HydrophobicContact CZ-CG 3.78Å; E101-H103 VanDerWaalsContact CG-NE2 3.31Å; E101-H103 WeakPolarHBondContact CG-NE2 3.45Å; E101-H103 IonicContact OE1-CD2 3.58Å; E101-H103 IonicContact OE1-CE1 3.43Å; E101-H103 IonicContact OE1-NE2 3.97Å; E101-H103 PolarHBondContact OE1-NE2 2.73Å; E101-T114 CarbonylContact O-C 3.59Å; E101-T114 WeakPolarHBondContact O-CA 3.21Å; E101-Y115 HydrophobicContact CG-CD2 4.19Å; E101-Y115 PolarHBondContact N-O 2.81Å; E101-Y115 PolarHBondContact O-N 2.83Å; E101-H117 IonicContact OE2-CD2 3.76Å; E101-H117 IonicContact OE2-CE1 2.96Å; E101-H117 IonicContact OE2-NE2 3.67Å; E101-H117 PolarHBondContact OE2-NE2 2.81Å; E101-W126 PolarHBondContact OE2-NE1 3.26Å
102K93.6Very high89.2Confident66 Ų6662.9 Ų62.929%0.28735%0.352SS..EExtended strand (participates in β ladder)trans-103.4134.8-179.1-69.3177.3176.4164.10110.3I88 K89 E91 T114I88-K102 VanDerWaalsContact CA-O 3.29Å; I88-K102 WeakPolarHBondContact CA-O 3.32Å; K89-K102 PolarHBondContact N-O 3.46Å; K89-K102 PolarHBondContact O-N 2.96Å; E91-K102 WeakPolarHBondContact OE2-CE 3.34Å; E91-K102 IonicContact OE2-NZ 2.79Å; E91-K102 PolarHBondContact OE2-NZ 2.69Å; K102-T114 HydrophobicContact CG-CG2 4.16Å
103H93.4Very high88.8Confident1 Ų162 Ų621%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-127.9126.4-177.1-82.4-115.7000110W68 S80 H86 K87 E101 E112 Q113W68-H103 AromaticContact CH2-CE1 3.51Å; W68-H103 AromaticContact CH2-NE2 3.91Å; S80-H103 PolarHBondContact OG-ND1 2.97Å; H86-H103 AromaticContact CG-ND1 3.85Å; H86-H103 WeakPolarHBondContact ND1-CB 3.46Å; H86-H103 AromaticContact ND1-CG 3.72Å; H86-H103 AromaticContact ND1-ND1 3.22Å; H86-H103 PolarHBondContact ND1-ND1 2.8Å; K87-H103 WeakPolarHBondContact O-CA 3.42Å; E101-H103 VanDerWaalsContact CG-NE2 3.31Å; E101-H103 WeakPolarHBondContact CG-NE2 3.45Å; E101-H103 IonicContact OE1-CD2 3.58Å; E101-H103 IonicContact OE1-CE1 3.43Å; E101-H103 IonicContact OE1-NE2 3.97Å; E101-H103 PolarHBondContact OE1-NE2 2.73Å; H103-E112 CarbonylContact O-C 3.48Å; H103-E112 WeakPolarHBondContact O-CA 3.43Å; H103-Q113 HydrophobicContact CB-CB 4.32Å; H103-Q113 PolarHBondContact N-O 2.86Å; H103-Q113 PolarHBondContact O-N 3.03Å
104V93.2Very high88.6Confident31 Ų3161.2 Ų61.219%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-123.9123.9170.2-179.90000108.3H86 K87 V106 P109 E112H86-V104 CarbonylContact C-O 3.58Å; H86-V104 VanDerWaalsContact CA-O 3.26Å; H86-V104 WeakPolarHBondContact CA-O 3.38Å; K87-V104 HydrophobicContact CB-CB 4.36Å; K87-V104 PolarHBondContact N-O 3.05Å; K87-V104 PolarHBondContact O-N 2.92Å; V104-V106 PolarHBondContact O-N 3.32Å; V104-P109 HydrophobicContact CG1-CB 4.14Å; V104-E112 HydrophobicContact CG2-CB 4.39Å; V104-E112 HydrophobicContact CG2-CG 4.09Å
105I90.7Very high88.7Confident15 Ų1557.2 Ų57.28%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-66.8128.3179.6-51.8-175.2000108.7K84 E107 D108 Q111K84-I105 HydrophobicContact CD-CG2 4.23Å; I105-E107 VanDerWaalsContact C-N 3.29Å; I105-E107 HydrophobicContact CG2-CB 4.26Å; I105-E107 PolarHBondContact O-N 3.43Å; I105-D108 HydrophobicContact CB-CB 4.47Å; I105-D108 CarbonylContact O-C 3.55Å; I105-D108 PolarHBondContact O-N 3.48Å; I105-Q111 HydrophobicContact CD1-CB 3.66Å; I105-Q111 HydrophobicContact CD1-CG 4.23Å; I105-Q111 HydrophobicContact CG1-CB 3.93Å; I105-Q111 PolarHBondContact N-O 3.18Å
106V91.4Very high89Confident70 Ų7054.4 Ų54.442%0.42429%0.293SS..SBendtrans-62.1-39.3-178.2173.70000111.6V77 D85 K87 V104V77-V106 HydrophobicContact CG1-CG2 4.15Å; D85-V106 HydrophobicContact CB-CG2 4.24Å; D85-V106 WeakPolarHBondContact O-CG2 3.22Å; D85-V106 PolarHBondContact O-N 3.28Å; K87-V106 HydrophobicContact CG-CG2 4.21Å; V104-V106 PolarHBondContact O-N 3.32Å
107E89.3Confident89.5Confident148 Ų14852.7 Ų52.769%0.69228%0.275SS*.SBendtrans-73-26.6178-61.417915800113.6K84 I105K84-E107 IonicContact NZ-OE2 3.51Å; K84-E107 PolarHBondContact NZ-OE2 3.18Å; I105-E107 VanDerWaalsContact C-N 3.29Å; I105-E107 HydrophobicContact CG2-CB 4.26Å; I105-E107 PolarHBondContact O-N 3.43Å
108D87.5Confident89.6Confident65 Ų6550.5 Ų50.535%0.34826%0.263SS..  trans-140.582.8-177.3-173.9-0.3000110.6I105 S110 Q111I105-D108 HydrophobicContact CB-CB 4.47Å; I105-D108 CarbonylContact O-C 3.55Å; I105-D108 PolarHBondContact O-N 3.48Å; D108-S110 PolarHBondContact O-N 3.3Å; D108-S110 WeakPolarHBondContact OD1-CB 3.25Å; D108-S110 PolarHBondContact OD1-N 3.27Å; D108-S110 PolarHBondContact OD1-OG 2.92Å; D108-Q111 HydrophobicContact CB-CG 4.24Å; D108-Q111 PolarHBondContact O-N 3.18Å; D108-Q111 WeakPolarHBondContact OD2-CG 3.44Å
109P86.1Confident89.4Confident94 Ų9450.4 Ų50.461%0.6127%0.265SS*.THydrogen-bonded Turntrans-62-10.8-179.4-24.134.6000114.5V104V104-P109 HydrophobicContact CG1-CB 4.14Å
110S83.4Confident89.1Confident91 Ų9154.9 Ų54.964%0.63629%0.289SS*.THydrogen-bonded Turntrans-73.8-17.9174.378.90000112.8D108 E112D108-S110 PolarHBondContact O-N 3.3Å; D108-S110 WeakPolarHBondContact OD1-CB 3.25Å; D108-S110 PolarHBondContact OD1-N 3.27Å; D108-S110 PolarHBondContact OD1-OG 2.92Å; S110-E112 PolarHBondContact O-N 2.9Å
111Q79.3Confident88.7Confident84 Ų8460 Ų6039%0.39332%0.317SS..  trans-94.686.5-179.4-63.4-68.7-41.800110.4I105 D108I105-Q111 HydrophobicContact CD1-CB 3.66Å; I105-Q111 HydrophobicContact CD1-CG 4.23Å; I105-Q111 HydrophobicContact CG1-CB 3.93Å; I105-Q111 PolarHBondContact N-O 3.18Å; D108-Q111 HydrophobicContact CB-CG 4.24Å; D108-Q111 PolarHBondContact O-N 3.18Å; D108-Q111 WeakPolarHBondContact OD2-CG 3.44Å
112E85.3Confident88.2Confident123 Ų12362.4 Ų62.458%0.57534%0.341SS*.EExtended strand (participates in β ladder)trans-94.1138.6171.1-171.7179.5125.200111.3H103 V104 S110H103-E112 CarbonylContact O-C 3.48Å; H103-E112 WeakPolarHBondContact O-CA 3.43Å; V104-E112 HydrophobicContact CG2-CB 4.39Å; V104-E112 HydrophobicContact CG2-CG 4.09Å; S110-E112 PolarHBondContact O-N 2.9Å
113Q85.3Confident87.7Confident34 Ų3463.5 Ų63.516%0.15934%0.344CS..EExtended strand (participates in β ladder)trans-133.1130.6172.8-60-178.717.200109.7H103 Y115H103-Q113 HydrophobicContact CB-CB 4.32Å; H103-Q113 PolarHBondContact N-O 2.86Å; H103-Q113 PolarHBondContact O-N 3.03Å; Q113-Y115 HydrophobicContact CB-CE2 4.13Å; Q113-Y115 PolarHBondContact OE1-OH 3.36Å
114T88.3Confident87.4Confident41 Ų4163.5 Ų63.525%0.25234%0.344SS..EExtended strand (participates in β ladder)trans-114.7131.1173.8-60.20000110E101 K102E101-T114 CarbonylContact O-C 3.59Å; E101-T114 WeakPolarHBondContact O-CA 3.21Å; K102-T114 HydrophobicContact CG-CG2 4.16Å
115Y88.6Confident87.1Confident4 Ų462.2 Ų62.22%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-112.9152.4171-54.3-96.7000109.4L100 E101 Q113 W126 K128L100-Y115 WeakPolarHBondContact CA-O 3.48Å; E101-Y115 HydrophobicContact CG-CD2 4.19Å; E101-Y115 PolarHBondContact N-O 2.81Å; E101-Y115 PolarHBondContact O-N 2.83Å; Q113-Y115 HydrophobicContact CB-CE2 4.13Å; Q113-Y115 PolarHBondContact OE1-OH 3.36Å; Y115-W126 HydrophobicContact CD1-CD2 4.38Å; Y115-W126 AromaticContact CD1-CE2 3.52Å; Y115-W126 HydrophobicContact CD1-CH2 4.29Å; Y115-W126 AromaticContact CD1-CZ2 3.47Å; Y115-W126 HydrophobicContact CD1-CZ2 3.47Å; Y115-W126 VanDerWaalsContact CD1-CZ2 3.47Å; Y115-W126 AromaticContact CD1-NE1 3.66Å; Y115-W126 HydrophobicContact CE1-CH2 4.05Å; Y115-W126 AromaticContact CE1-CZ2 3.58Å; Y115-W126 HydrophobicContact CE1-CZ2 3.58Å; Y115-W126 HydrophobicContact CG-CZ2 4.14Å; Y115-W126 AromaticContact CG-NE1 3.78Å; Y115-K128 HydrophobicContact CD1-CB 3.93Å; Y115-K128 HydrophobicContact CD1-CD 4.25Å; Y115-K128 HydrophobicContact CD1-CG 3.83Å; Y115-K128 HydrophobicContact CE1-CB 3.95Å; Y115-K128 HydrophobicContact CE1-CD 3.44Å; Y115-K128 VanDerWaalsContact CE1-CD 3.44Å; Y115-K128 HydrophobicContact CE1-CG 3.53Å; Y115-K128 WeakPolarHBondContact OH-CE 3.25Å; Y115-K128 PolarHBondContact OH-NZ 2.94Å
116E90.8Very high86.8Confident44 Ų4461.8 Ų61.821%0.20633%0.333CS..EExtended strand (participates in β ladder)trans-116.5150.2171.7-40.4-179.5172.600109.1K98 L99 L100 W126 P127K98-E116 WeakPolarHBondContact CD-OE2 3.5Å; K98-E116 IonicContact NZ-OE2 2.78Å; K98-E116 PolarHBondContact NZ-OE2 3.39Å; L99-E116 CarbonylContact O-C 3.38Å; L99-E116 WeakPolarHBondContact O-CA 3.29Å; L100-E116 HydrophobicContact CD2-CB 4.22Å; L100-E116 HydrophobicContact CD2-CG 3.81Å; E116-W126 WeakPolarHBondContact O-CA 3.13Å; E116-W126 VanDerWaalsContact O-CD1 3.23Å; E116-P127 HydrophobicContact CB-CG 3.68Å; E116-P127 HydrophobicContact CG-CG 4.09Å; E116-P127 PolarHBondContact N-O 3.02Å; E116-P127 WeakPolarHBondContact O-CD 3.39Å
117H91Very high86.2Confident0 Ų058.8 Ų58.80%032%0.315CS..EExtended strand (participates in β ladder)trans-129125169.2-57.7-104.8000108F46 K98 L99 E101 L124 I125 W126F46-H117 AromaticContact CZ-CE1 3.84Å; F46-H117 AromaticContact CZ-ND1 3.65Å; K98-H117 CarbonylContact C-O 3.59Å; K98-H117 WeakPolarHBondContact CA-O 3.35Å; L99-H117 HydrophobicContact CB-CB 4.17Å; L99-H117 PolarHBondContact N-O 3.35Å; L99-H117 PolarHBondContact O-N 3.01Å; E101-H117 IonicContact OE2-CD2 3.76Å; E101-H117 IonicContact OE2-CE1 2.96Å; E101-H117 IonicContact OE2-NE2 3.67Å; E101-H117 PolarHBondContact OE2-NE2 2.81Å; H117-L124 HydrophobicContact CB-CD1 4.1Å; H117-I125 WeakPolarHBondContact CA-O 3.35Å; H117-W126 AromaticContact CD2-CD1 3.93Å; H117-W126 AromaticContact CE1-CD1 3.19Å; H117-W126 AromaticContact CE1-NE1 3.34Å; H117-W126 PolarHBondContact CE1-NE1 3.01Å; H117-W126 VanDerWaalsContact CE1-NE1 3.34Å; H117-W126 AromaticContact CG-CD1 3.9Å; H117-W126 AromaticContact ND1-CD1 3.44Å; H117-W126 AromaticContact NE2-CD1 3.48Å; H117-W126 AromaticContact NE2-NE1 3.43Å; H117-W126 PolarHBondContact NE2-NE1 3.29Å
118Y91.5Very high85.3Confident49 Ų4952.2 Ų52.219%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-148.5161.5175.865.2-88.7000110.6K98 D120 I125 P127K98-Y118 HydrophobicContact CD-CD1 4.34Å; Y118-D120 HydrophobicContact CD2-CB 4.48Å; Y118-D120 HydrophobicContact CE2-CB 4.16Å; Y118-I125 HydrophobicContact CD1-CB 4.3Å; Y118-I125 HydrophobicContact CD2-CB 4.19Å; Y118-I125 HydrophobicContact CD2-CG1 4.23Å; Y118-I125 HydrophobicContact CE1-CB 3.89Å; Y118-I125 HydrophobicContact CE1-CG2 3.93Å; Y118-I125 HydrophobicContact CE2-CB 3.76Å; Y118-I125 HydrophobicContact CE2-CG1 3.73Å; Y118-I125 HydrophobicContact CE2-CG2 4.21Å; Y118-I125 HydrophobicContact CG-CB 4.44Å; Y118-I125 PolarHBondContact N-O 3.31Å; Y118-I125 VanDerWaalsContact N-O 3.17Å; Y118-I125 PolarHBondContact O-N 3.48Å; Y118-I125 WeakPolarHBondContact OH-CG2 3.33Å; Y118-P127 HydrophobicContact CD1-CG 4.49Å; Y118-P127 HydrophobicContact CE1-CG 3.9Å
119L89.1Confident84.2Confident60 Ų6054.4 Ų54.431%0.31429%0.291SS..EExtended strand (participates in β ladder)trans-96.2135.7174.4-68.3178.1000110.8N3 L4 Y8 R123 L124N3-L119 HydrophobicContact CB-CD1 4.03Å; N3-L119 VanDerWaalsContact O-CD1 3.25Å; N3-L119 WeakPolarHBondContact O-CD1 3.35Å; L4-L119 HydrophobicContact CD2-CD2 4.31Å; L4-L119 HydrophobicContact CD2-CG 3.91Å; Y8-L119 HydrophobicContact CE1-CD2 3.88Å; L119-R123 CarbonylContact C-O 3.6Å; L119-R123 VanDerWaalsContact CA-O 3.31Å; L119-R123 WeakPolarHBondContact CA-O 3.1Å; L119-L124 HydrophobicContact CD2-CB 4.13Å; L119-L124 HydrophobicContact CD2-CD1 4.42Å
120D86.8Confident82.6Confident94 Ų9452 Ų5250%0.50327%0.273SS..EExtended strand (participates in β ladder)trans-133.3120.3168.4-172.720.4000108.3Y118 G122 R123 I125Y118-D120 HydrophobicContact CD2-CB 4.48Å; Y118-D120 HydrophobicContact CE2-CB 4.16Å; D120-G122 VanDerWaalsContact C-N 3.27Å; D120-G122 PolarHBondContact O-N 3.35Å; D120-R123 PolarHBondContact N-O 3.46Å; D120-R123 WeakPolarHBondContact O-CA 3.41Å; D120-R123 VanDerWaalsContact O-CB 3.32Å; D120-R123 WeakPolarHBondContact O-CB 3.5Å; D120-R123 PolarHBondContact O-N 2.86Å; D120-I125 HydrophobicContact CB-CD1 4.25Å; D120-I125 HydrophobicContact CB-CG1 3.75Å
121D85.2Confident80.7Confident146 Ų14653.9 Ų53.978%0.78128%0.275SS*.THydrogen-bonded Turntrans46.345.5-175.1-16532.5000114.3R123D121-R123 PolarHBondContact O-N 3.04Å; D121-R123 VanDerWaalsContact O-N 3.12Å
122G81.3Confident78.6Confident50 Ų5054.6 Ų54.652%0.51529%0.287SS..THydrogen-bonded Turntrans71.22.3-178.700000115.2D120D120-G122 VanDerWaalsContact C-N 3.27Å; D120-G122 PolarHBondContact O-N 3.35Å
123R84.5Confident76.4Confident90 Ų9054.1 Ų54.134%0.3429%0.294SS..EExtended strand (participates in β ladder)trans-96.6136.3173.7-55.5-179.4-175.5-174.13.2109.8L119 D120 D121 I125 I140L119-R123 CarbonylContact C-O 3.6Å; L119-R123 VanDerWaalsContact CA-O 3.31Å; L119-R123 WeakPolarHBondContact CA-O 3.1Å; D120-R123 PolarHBondContact N-O 3.46Å; D120-R123 WeakPolarHBondContact O-CA 3.41Å; D120-R123 VanDerWaalsContact O-CB 3.32Å; D120-R123 WeakPolarHBondContact O-CB 3.5Å; D120-R123 PolarHBondContact O-N 2.86Å; D121-R123 PolarHBondContact O-N 3.04Å; D121-R123 VanDerWaalsContact O-N 3.12Å; R123-I125 HydrophobicContact CB-CD1 4.27Å; R123-I140 WeakPolarHBondContact CA-O 3.14Å
124L86.9Confident74.1Confident0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-79.2124.4171176.571.2000108.9L4 Y8 R44 F46 H117 L119 I140L4-L124 HydrophobicContact CD2-CD1 3.61Å; Y8-L124 HydrophobicContact CD1-CB 3.51Å; Y8-L124 HydrophobicContact CD1-CD2 4.35Å; Y8-L124 HydrophobicContact CD2-CB 4.35Å; Y8-L124 HydrophobicContact CD2-CD2 3.69Å; Y8-L124 HydrophobicContact CE1-CB 3.77Å; Y8-L124 HydrophobicContact CE2-CD2 4.15Å; Y8-L124 HydrophobicContact CG-CB 3.83Å; Y8-L124 HydrophobicContact CG-CD2 3.81Å; Y8-L124 HydrophobicContact CG-CG 4.47Å; R44-L124 HydrophobicContact CB-CD2 4.46Å; F46-L124 HydrophobicContact CE2-CD2 3.9Å; H117-L124 HydrophobicContact CB-CD1 4.1Å; L119-L124 HydrophobicContact CD2-CB 4.13Å; L119-L124 HydrophobicContact CD2-CD1 4.42Å; L124-I140 HydrophobicContact CB-CB 4.16Å; L124-I140 HydrophobicContact CD2-CD1 4.03Å; L124-I140 HydrophobicContact CG-CD1 4.4Å; L124-I140 PolarHBondContact N-O 2.73Å; L124-I140 PolarHBondContact O-N 3.33Å
125I87.6Confident71.7Confident4 Ų456.2 Ų56.22%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-108.3126.9177.5-45.3-62.8000108.6H117 Y118 D120 R123 P127 F137 Q139H117-I125 WeakPolarHBondContact CA-O 3.35Å; Y118-I125 HydrophobicContact CD1-CB 4.3Å; Y118-I125 HydrophobicContact CD2-CB 4.19Å; Y118-I125 HydrophobicContact CD2-CG1 4.23Å; Y118-I125 HydrophobicContact CE1-CB 3.89Å; Y118-I125 HydrophobicContact CE1-CG2 3.93Å; Y118-I125 HydrophobicContact CE2-CB 3.76Å; Y118-I125 HydrophobicContact CE2-CG1 3.73Å; Y118-I125 HydrophobicContact CE2-CG2 4.21Å; Y118-I125 HydrophobicContact CG-CB 4.44Å; Y118-I125 PolarHBondContact N-O 3.31Å; Y118-I125 VanDerWaalsContact N-O 3.17Å; Y118-I125 PolarHBondContact O-N 3.48Å; Y118-I125 WeakPolarHBondContact OH-CG2 3.33Å; D120-I125 HydrophobicContact CB-CD1 4.25Å; D120-I125 HydrophobicContact CB-CG1 3.75Å; R123-I125 HydrophobicContact CB-CD1 4.27Å; I125-P127 WeakPolarHBondContact O-CD 3.2Å; I125-F137 HydrophobicContact CG2-CD1 3.66Å; I125-F137 HydrophobicContact CG2-CE1 4.44Å; I125-Q139 HydrophobicContact CD1-CB 4.38Å; I125-Q139 HydrophobicContact CD1-CG 3.75Å
126W82.6Confident69.6Low7 Ų756 Ų563%0.02730%0.3CS..  trans-119.885.6177.6-177.866.5000111.9R44 Y81 E101 Y115 E116 H117 M138R44-W126 VanDerWaalsContact CZ-CD2 3.42Å; R44-W126 VanDerWaalsContact NH1-CE2 3.26Å; Y81-W126 HydrophobicContact CE2-CZ2 4.22Å; E101-W126 PolarHBondContact OE2-NE1 3.26Å; Y115-W126 HydrophobicContact CD1-CD2 4.38Å; Y115-W126 AromaticContact CD1-CE2 3.52Å; Y115-W126 HydrophobicContact CD1-CH2 4.29Å; Y115-W126 AromaticContact CD1-CZ2 3.47Å; Y115-W126 HydrophobicContact CD1-CZ2 3.47Å; Y115-W126 VanDerWaalsContact CD1-CZ2 3.47Å; Y115-W126 AromaticContact CD1-NE1 3.66Å; Y115-W126 HydrophobicContact CE1-CH2 4.05Å; Y115-W126 AromaticContact CE1-CZ2 3.58Å; Y115-W126 HydrophobicContact CE1-CZ2 3.58Å; Y115-W126 HydrophobicContact CG-CZ2 4.14Å; Y115-W126 AromaticContact CG-NE1 3.78Å; E116-W126 WeakPolarHBondContact O-CA 3.13Å; E116-W126 VanDerWaalsContact O-CD1 3.23Å; H117-W126 AromaticContact CD2-CD1 3.93Å; H117-W126 AromaticContact CE1-CD1 3.19Å; H117-W126 AromaticContact CE1-NE1 3.34Å; H117-W126 PolarHBondContact CE1-NE1 3.01Å; H117-W126 VanDerWaalsContact CE1-NE1 3.34Å; H117-W126 AromaticContact CG-CD1 3.9Å; H117-W126 AromaticContact ND1-CD1 3.44Å; H117-W126 AromaticContact NE2-CD1 3.48Å; H117-W126 AromaticContact NE2-NE1 3.43Å; H117-W126 PolarHBondContact NE2-NE1 3.29Å; W126-M138 HydrophobicContact CB-CB 4.49Å; W126-M138 HydrophobicContact CE3-CB 4.34Å; W126-M138 HydrophobicContact CE3-CE 4.17Å; W126-M138 HydrophobicContact CZ3-CE 4.48Å; W126-M138 PolarHBondContact N-O 2.79Å; W126-M138 VanDerWaalsContact N-O 3.12Å; W126-M138 PolarHBondContact O-N 3.31Å
127P79.7Confident67.3Low7 Ų756.3 Ų56.35%0.04530%0.3CS..  trans-71.9135.4172.931.4-39.4000112E116 Y118 I125 L136 F137E116-P127 HydrophobicContact CB-CG 3.68Å; E116-P127 HydrophobicContact CG-CG 4.09Å; E116-P127 PolarHBondContact N-O 3.02Å; E116-P127 WeakPolarHBondContact O-CD 3.39Å; Y118-P127 HydrophobicContact CD1-CG 4.49Å; Y118-P127 HydrophobicContact CE1-CG 3.9Å; I125-P127 WeakPolarHBondContact O-CD 3.2Å; P127-L136 CarbonylContact C-O 3.57Å; P127-L136 WeakPolarHBondContact CA-O 3.36Å; P127-F137 HydrophobicContact CB-CD1 4.21Å; P127-F137 HydrophobicContact CB-CE1 4.17Å
128K70.9Confident65.4Low10 Ų1056.5 Ų56.54%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-100.3119.5157.9-170176.5-171.5160.20109.6Y19 Y115 L136Y19-K128 HydrophobicContact CE2-CD 3.59Å; Y19-K128 HydrophobicContact CE2-CG 4.26Å; Y19-K128 WeakPolarHBondContact OH-CD 3.5Å; Y19-K128 VanDerWaalsContact OH-CE 3.23Å; Y19-K128 WeakPolarHBondContact OH-CE 3.43Å; Y19-K128 PolarHBondContact OH-NZ 3.2Å; Y115-K128 HydrophobicContact CD1-CB 3.93Å; Y115-K128 HydrophobicContact CD1-CD 4.25Å; Y115-K128 HydrophobicContact CD1-CG 3.83Å; Y115-K128 HydrophobicContact CE1-CB 3.95Å; Y115-K128 HydrophobicContact CE1-CD 3.44Å; Y115-K128 VanDerWaalsContact CE1-CD 3.44Å; Y115-K128 HydrophobicContact CE1-CG 3.53Å; Y115-K128 WeakPolarHBondContact OH-CE 3.25Å; Y115-K128 PolarHBondContact OH-NZ 2.94Å; K128-L136 HydrophobicContact CB-CB 4.19Å; K128-L136 HydrophobicContact CB-CD2 4.27Å; K128-L136 PolarHBondContact N-O 3.49Å; K128-L136 PolarHBondContact O-N 3.22Å
129K63.3Low63.2Low110 Ų11056 Ų5648%0.47830%0.301SS..EExtended strand (participates in β ladder)trans-88112.9173.9-161.9173-174.1176.70108.4Y135K129-Y135 HydrophobicContact CD-CE1 4.38Å; K129-Y135 HydrophobicContact CG-CE1 4.08Å
130L53.7Low61.5Low45 Ų4553.1 Ų53.124%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-95.1-54.8176.2-166.970.6000110.9Y19 A22 K23Y19-L130 HydrophobicContact CD2-CB 4.23Å; Y19-L130 HydrophobicContact CD2-CD2 4.18Å; Y19-L130 HydrophobicContact CE2-CB 4.11Å; Y19-L130 HydrophobicContact CE2-CD1 3.95Å; Y19-L130 HydrophobicContact CE2-CD2 4.06Å; Y19-L130 HydrophobicContact CE2-CG 4.26Å; A22-L130 HydrophobicContact CB-CD2 3.86Å; K23-L130 HydrophobicContact CD-CD1 4.06Å; K23-L130 HydrophobicContact CD-CD2 4.18Å; K23-L130 HydrophobicContact CG-CD2 4.04Å
131L43.6Very low59.1Low129 Ų12949.3 Ų49.368%0.67527%0.266SS*.EExtended strand (participates in β ladder)trans-168.7145.4176.6-89.6161000106.1V134L131-V134 PolarHBondContact O-N 2.81Å
132P34.8Very low56.9Low100 Ų10045.7 Ų45.765%0.64925%0.247SC*.THydrogen-bonded Turntrans-57.3132.5174.3-17.328.7000110.2
133P39.6Very low54.7Low112 Ų11248.9 Ų48.973%0.72725%0.25SC*.THydrogen-bonded Turncis-105.320.18.939.5-32.6000114.8Y135P133-Y135 WeakPolarHBondContact O-CD2 3.32Å; P133-Y135 PolarHBondContact O-N 3.13Å
134V35.4Very low52.2Low32 Ų3254.1 Ų54.119%0.19428%0.275CS..EExtended strand (participates in β ladder)trans-91.1109.4-170.8-171.20000111.6A18 L131A18-V134 HydrophobicContact CB-CG1 4.33Å; L131-V134 PolarHBondContact O-N 2.81Å
135Y38.5Very low49.4Very low87 Ų8758 Ų5834%0.34131%0.306SS..EExtended strand (participates in β ladder)trans-113.8127.5172.7-59.5-87.1000109.2N15 K129 P133 F137N15-Y135 WeakPolarHBondContact CB-O 3.36Å; N15-Y135 PolarHBondContact ND2-O 3.33Å; K129-Y135 HydrophobicContact CD-CE1 4.38Å; K129-Y135 HydrophobicContact CG-CE1 4.08Å; P133-Y135 WeakPolarHBondContact O-CD2 3.32Å; P133-Y135 PolarHBondContact O-N 3.13Å; Y135-F137 HydrophobicContact CG-CE2 4.47Å; Y135-F137 HydrophobicContact CG-CZ 4.33Å
136L43.8Very low46.4Very low1 Ų164 Ų641%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-91.6115.7167.9167.673.9000107.9M16 Y19 P127 K128M16-L136 HydrophobicContact CB-CD1 3.33Å; M16-L136 HydrophobicContact CE-CD1 3.84Å; M16-L136 HydrophobicContact CE-CD2 4.07Å; M16-L136 HydrophobicContact CG-CD1 3.62Å; M16-L136 HydrophobicContact SD-CD1 4.34Å; Y19-L136 HydrophobicContact CD2-CB 4.48Å; Y19-L136 HydrophobicContact CG-CB 4.37Å; P127-L136 CarbonylContact C-O 3.57Å; P127-L136 WeakPolarHBondContact CA-O 3.36Å; K128-L136 HydrophobicContact CB-CB 4.19Å; K128-L136 HydrophobicContact CB-CD2 4.27Å; K128-L136 PolarHBondContact N-O 3.49Å; K128-L136 PolarHBondContact O-N 3.22Å
137F43.2Very low43.6Very low49 Ų4974.1 Ų74.122%0.21538%0.377CS..EExtended strand (participates in β ladder)trans-98.8133.1171.8-60.8-85.1000110T13 E14 I125 P127 Y135T13-F137 CarbonylContact C-O 3.58Å; T13-F137 VanDerWaalsContact CA-O 3.25Å; T13-F137 WeakPolarHBondContact CA-O 3.34Å; E14-F137 HydrophobicContact CB-CB 4.11Å; E14-F137 HydrophobicContact CB-CD2 4.34Å; E14-F137 HydrophobicContact CG-CB 4.44Å; E14-F137 PolarHBondContact N-O 3.3Å; E14-F137 PolarHBondContact O-N 2.92Å; I125-F137 HydrophobicContact CG2-CD1 3.66Å; I125-F137 HydrophobicContact CG2-CE1 4.44Å; P127-F137 HydrophobicContact CB-CD1 4.21Å; P127-F137 HydrophobicContact CB-CE1 4.17Å; Y135-F137 HydrophobicContact CG-CE2 4.47Å; Y135-F137 HydrophobicContact CG-CZ 4.33Å
138M51.2Low40.9Very low4 Ų478.7 Ų78.72%0.0242%0.416CS..EExtended strand (participates in β ladder)trans-114.6115.6164.1-164.6165.882.600107.5A12 T13 A42 W126 I140A12-M138 WeakPolarHBondContact O-CA 3.44Å; T13-M138 HydrophobicContact CG2-CG 4.06Å; T13-M138 HydrophobicContact CG2-SD 4.43Å; A42-M138 HydrophobicContact CB-CE 4.09Å; A42-M138 HydrophobicContact CB-SD 4.29Å; W126-M138 HydrophobicContact CB-CB 4.49Å; W126-M138 HydrophobicContact CE3-CB 4.34Å; W126-M138 HydrophobicContact CE3-CE 4.17Å; W126-M138 HydrophobicContact CZ3-CE 4.48Å; W126-M138 PolarHBondContact N-O 2.79Å; W126-M138 VanDerWaalsContact N-O 3.12Å; W126-M138 PolarHBondContact O-N 3.31Å; M138-I140 HydrophobicContact CE-CD1 3.45Å; M138-I140 VanDerWaalsContact CE-CD1 3.45Å; M138-I140 HydrophobicContact CE-CG1 4.04Å; M138-I140 HydrophobicContact CG-CG1 4.15Å
139Q44.8Very low38.7Very low39 Ų3983.1 Ų83.118%0.18245%0.454CS..EExtended strand (participates in β ladder)trans-88132173.6-67.2-161.6-18.200108.6V11 A12 I125V11-Q139 HydrophobicContact CG2-CB 3.65Å; V11-Q139 WeakPolarHBondContact CG2-O 3.08Å; V11-Q139 PolarHBondContact N-O 2.77Å; A12-Q139 HydrophobicContact CB-CB 4.41Å; A12-Q139 PolarHBondContact N-O 3.23Å; A12-Q139 PolarHBondContact O-N 3.46Å; I125-Q139 HydrophobicContact CD1-CB 4.38Å; I125-Q139 HydrophobicContact CD1-CG 3.75Å
140I53.3Low36.8Very low0 Ų083.9 Ų83.90%047%0.472CS..EExtended strand (participates in β ladder)trans-132.8115.3-174.4-41.4179.2000107.7Y8 R9 R44 R123 L124 M138Y8-I140 HydrophobicContact CG-CG2 4.48Å; Y8-I140 WeakPolarHBondContact O-CG2 3.41Å; R9-I140 VanDerWaalsContact N-CG2 3.28Å; R9-I140 CarbonylContact O-C 3.52Å; R9-I140 VanDerWaalsContact O-CA 3.3Å; R9-I140 WeakPolarHBondContact O-CA 3.29Å; R9-I140 VanDerWaalsContact O-CG2 3.23Å; R9-I140 WeakPolarHBondContact O-CG2 3.13Å; R44-I140 HydrophobicContact CB-CD1 4.5Å; R44-I140 HydrophobicContact CG-CD1 4.15Å; R123-I140 WeakPolarHBondContact CA-O 3.14Å; L124-I140 HydrophobicContact CB-CB 4.16Å; L124-I140 HydrophobicContact CD2-CD1 4.03Å; L124-I140 HydrophobicContact CG-CD1 4.4Å; L124-I140 PolarHBondContact N-O 2.73Å; L124-I140 PolarHBondContact O-N 3.33Å; M138-I140 HydrophobicContact CE-CD1 3.45Å; M138-I140 VanDerWaalsContact CE-CD1 3.45Å; M138-I140 HydrophobicContact CE-CG1 4.04Å; M138-I140 HydrophobicContact CG-CG1 4.15Å
141S37.4Very low35.3Very low13 Ų1389.6 Ų89.69%0.09150%0.501CS..EExtended strand (participates in β ladder)trans-88.7147.9-176.870.80000112.1Y8 R9 V11 F146Y8-S141 WeakPolarHBondContact CA-O 3.43Å; R9-S141 PolarHBondContact N-O 3.21Å; R9-S141 PolarHBondContact O-N 3.35Å; V11-S141 WeakPolarHBondContact CG1-OG 3.38Å; S141-F146 WeakPolarHBondContact OG-CD2 3.25Å; S141-F146 VanDerWaalsContact OG-CE2 3.24Å; S141-F146 WeakPolarHBondContact OG-CE2 3.4Å
142N38.7Very low34.4Very low70 Ų7089.5 Ų89.537%0.37451%0.51SS..EExtended strand (participates in β ladder)trans-71.1135.7170.9-166.3-32.2000109.7K144 A145N142-K144 PolarHBondContact O-N 2.8Å; N142-A145 PolarHBondContact O-N 3.19Å
143M34.2Very low34Very low117 Ų11789 Ų8958%0.57651%0.514SS*.THydrogen-bonded Turntrans-61.8-2.9-170.7-93.2-177.459.600115.8K7K7-M143 HydrophobicContact CD-SD 4.44Å
144K32.7Very low33.2Very low201 Ų20194 Ų9487%0.87453%0.525SS*.THydrogen-bonded Turntrans-94.20.4-177.9-68.4-173.5176.81800116N142N142-K144 PolarHBondContact O-N 2.8Å
145A27.5Very low32.7Very low80 Ų8096.7 Ų96.766%0.66155%0.55SS*.  trans-140.543.6-163.900000118.3N142N142-A145 PolarHBondContact O-N 3.19Å
146F26.1Very low32.4Very low132 Ų13299.2 Ų99.258%0.57957%0.574SS**  trans-124.276.6-178.5-109-99.5000113.8V11 S141V11-F146 HydrophobicContact CB-CZ 4.13Å; V11-F146 HydrophobicContact CG1-CE1 4.25Å; V11-F146 HydrophobicContact CG1-CE2 3.76Å; V11-F146 HydrophobicContact CG1-CZ 3.53Å; S141-F146 WeakPolarHBondContact OG-CD2 3.25Å; S141-F146 VanDerWaalsContact OG-CE2 3.24Å; S141-F146 WeakPolarHBondContact OG-CE2 3.4Å
147F23.2Very low31.7Very low218 Ų218103.9 Ų103.996%0.95661%0.607SS**  trans-151.783.6166.2-109.5-85.3000109
148A23.9Very low31.1Very low103 Ų103106.8 Ų106.885%0.85163%0.628SS**  trans164.5140.2153.100000113
149A24.5Very low30Very low103 Ų103114 Ų11485%0.85167%0.667SS**  trans96.289.9155.800000120.5
150C22.4Very low29.3Very low126 Ų126116.2 Ų116.285%0.85169%0.692SS**  trans-134.8129143.7-91.10000107.5
151I23.1Very low28.4Very low166 Ų166119.7 Ų119.785%0.85173%0.728SS**  trans167.5143.1152.3-85.1152.4000109.3
152C24.2Very low28.4Very low127 Ų127121.9 Ų121.986%0.85875%0.747SS**  trans96.1132.1177.5-630000115.1
153A26.2Very low28.6Very low88 Ų88125.7 Ų125.773%0.72777%0.767SS**  cis-167.113311.500000108.5
154F23.6Very low28.9Very low218 Ų218125 Ų12596%0.95677%0.766SS**  70.3137.497.8-93.3-83.9000119.5
155A24.7Very low28.8Very low88 Ų88118.3 Ų118.373%0.72774%0.744SS**  trans-91.3157.2-173.100000115.1
156V31.2Very low29.2Very low140 Ų140118.4 Ų118.485%0.84874%0.736SS**  trans-153.2141.1151.9-177.60000111.6
157S29.6Very low30Very low99 Ų99118.2 Ų118.269%0.69274%0.737SS**  trans-59.9176173.643.20000116.2
158V30.2Very low30.7Very low110 Ų110109 Ų10967%0.66770%0.699SS**  -177.5144.958.2-178.10000111.9
159N28.7Very low31.4Very low157 Ų157107.2 Ų107.284%0.8467%0.672SS**  trans16.7129.7154.2-54.3-26.4000125.2
160A30.1Very low32.4Very low84 Ų84108.1 Ų108.169%0.69466%0.659SS**  trans-166.6118.7137.400000114.9
161G34.2Very low33.6Very low73 Ų73106.9 Ų106.975%0.75364%0.642SS**  trans87.991.5145.300000120.9
162A36.9Very low34.4Very low60 Ų60102.5 Ų102.550%0.49662%0.617SS.*SBendtrans-81.5-11.2-173.300000117.7T166A162-T166 PolarHBondContact O-OG1 3.19Å
163D43.6Very low35.3Very low149 Ų149100 Ų10080%0.79760%0.595SS**Hα-helixtrans-85.4-24-168.3-71.3-22.1000114.7
164N39.3Very low36.5Very low102 Ų102100 Ų10055%0.54559%0.586SS.*Hα-helixtrans-85.4-23.6-176.3-129.14.7000112.9T168N164-T168 WeakPolarHBondContact O-CB 3.3Å; N164-T168 PolarHBondContact O-N 2.67Å; N164-T168 PolarHBondContact O-OG1 3.37Å
165C31Very low37.5Very low61 Ų6191.5 Ų91.541%0.41255%0.553SS.*Hα-helixtrans-72.3-43.4-179.3-146.60000110.9Q167 T168 F169C165-Q167 PolarHBondContact O-N 3.37Å; C165-T168 PolarHBondContact O-N 3.39Å; C165-F169 WeakPolarHBondContact O-CB 3.15Å; C165-F169 PolarHBondContact O-N 2.64Å
166T36.5Very low38.4Very low82 Ų8288 Ų8850%0.50352%0.524SS..Hα-helixtrans-59.5-44.9179.8-53.10000112.7A162 F169 Q170A162-T166 PolarHBondContact O-OG1 3.19Å; T166-F169 PolarHBondContact O-N 2.8Å; T166-Q170 PolarHBondContact O-N 3.04Å; T166-Q170 VanDerWaalsContact O-N 3.12Å
167Q42.4Very low39.1Very low128 Ų12884.6 Ų84.660%0.59850%0.501SS*.Hα-helixtrans-69.7-40.5-178.6-150175.732.600111.7C165 F169 Q170 I171C165-Q167 PolarHBondContact O-N 3.37Å; Q167-F169 VanDerWaalsContact C-N 3.32Å; Q167-F169 PolarHBondContact O-N 3.17Å; Q167-Q170 PolarHBondContact O-N 3.35Å; Q167-I171 WeakPolarHBondContact O-CG1 3.43Å; Q167-I171 PolarHBondContact O-N 2.95Å
168T37.6Very low40.2Very low25 Ų2587.1 Ų87.115%0.15350%0.5CS..Hα-helixtrans-63.8-39.3176.5-55.10000111.7N164 C165 I171 F172 L378 I381N164-T168 WeakPolarHBondContact O-CB 3.3Å; N164-T168 PolarHBondContact O-N 2.67Å; N164-T168 PolarHBondContact O-OG1 3.37Å; C165-T168 PolarHBondContact O-N 3.39Å; T168-I171 PolarHBondContact O-N 3.3Å; T168-F172 PolarHBondContact O-N 3.44Å; T168-L378 HydrophobicContact CG2-CD1 3.77Å; T168-I381 HydrophobicContact CG2-CD1 3.94Å; T168-I381 VanDerWaalsContact OG1-CD1 3.27Å; T168-I381 WeakPolarHBondContact OG1-CD1 3.42Å
169F39.7Very low41.1Very low66 Ų6685.3 Ų85.329%0.28948%0.481SS..Hα-helixtrans-70.6-37.4179.8-171.9-118.1000112.9C165 T166 Q167 I171 F172 L173 Y274C165-F169 WeakPolarHBondContact O-CB 3.15Å; C165-F169 PolarHBondContact O-N 2.64Å; T166-F169 PolarHBondContact O-N 2.8Å; Q167-F169 VanDerWaalsContact C-N 3.32Å; Q167-F169 PolarHBondContact O-N 3.17Å; F169-I171 VanDerWaalsContact C-N 3.31Å; F169-I171 PolarHBondContact O-N 3.11Å; F169-F172 PolarHBondContact O-N 2.95Å; F169-L173 HydrophobicContact CD1-CD1 4Å; F169-L173 HydrophobicContact CE1-CD1 3.54Å; F169-L173 HydrophobicContact CE1-CG 4.23Å; F169-L173 HydrophobicContact CE2-CG 4.39Å; F169-L173 HydrophobicContact CZ-CD1 3.86Å; F169-L173 HydrophobicContact CZ-CD2 4.24Å; F169-L173 HydrophobicContact CZ-CG 4.11Å; F169-L173 PolarHBondContact O-N 3.42Å; F169-L173 VanDerWaalsContact O-N 3.12Å; F169-Y274 AromaticContact CD1-CE1 3.85Å; F169-Y274 HydrophobicContact CD1-CE1 3.85Å; F169-Y274 AromaticContact CD2-CE1 3.75Å; F169-Y274 HydrophobicContact CD2-CE1 3.75Å; F169-Y274 AromaticContact CD2-CZ 3.9Å; F169-Y274 VanDerWaalsContact CD2-OH 3.26Å; F169-Y274 WeakPolarHBondContact CD2-OH 3.27Å; F169-Y274 HydrophobicContact CE1-CD1 4.04Å; F169-Y274 AromaticContact CE1-CE1 3.45Å; F169-Y274 HydrophobicContact CE1-CE1 3.45Å; F169-Y274 VanDerWaalsContact CE1-CE1 3.45Å; F169-Y274 AromaticContact CE2-CE1 3.41Å; F169-Y274 HydrophobicContact CE2-CE1 3.41Å; F169-Y274 VanDerWaalsContact CE2-CE1 3.41Å; F169-Y274 HydrophobicContact CE2-CE2 4.48Å; F169-Y274 AromaticContact CE2-CZ 3.32Å; F169-Y274 WeakPolarHBondContact CE2-OH 3.45Å; F169-Y274 AromaticContact CG-CE1 3.98Å; F169-Y274 HydrophobicContact CG-CE1 3.98Å; F169-Y274 HydrophobicContact CZ-CD1 4.07Å; F169-Y274 AromaticContact CZ-CE1 3.22Å; F169-Y274 HydrophobicContact CZ-CE1 3.22Å; F169-Y274 HydrophobicContact CZ-CE2 4.46Å; F169-Y274 AromaticContact CZ-CZ 3.46Å; F169-Y274 VanDerWaalsContact CZ-CZ 3.46Å; F169-Y274 WeakPolarHBondContact CZ-OH 3.18Å
170Q45.2Very low41.8Very low122 Ų12281 Ų8157%0.5746%0.456SS*.Hα-helixtrans-63.5-35.3172.8-76.5-172.1-11.700112.8T166 Q167 L173 T174T166-Q170 PolarHBondContact O-N 3.04Å; T166-Q170 VanDerWaalsContact O-N 3.12Å; Q167-Q170 PolarHBondContact O-N 3.35Å; Q170-L173 PolarHBondContact O-N 2.84Å; Q170-T174 VanDerWaalsContact O-CB 3.28Å; Q170-T174 WeakPolarHBondContact O-CB 3.1Å; Q170-T174 PolarHBondContact O-N 3.34Å; Q170-T174 PolarHBondContact O-OG1 3.42Å
171I47.9Very low42.8Very low99 Ų9984 Ų8451%0.50845%0.454SS..Hα-helixtrans-63.9-44176.7-68.4164.3000110.7Q167 T168 F169 T174 C175Q167-I171 WeakPolarHBondContact O-CG1 3.43Å; Q167-I171 PolarHBondContact O-N 2.95Å; T168-I171 PolarHBondContact O-N 3.3Å; F169-I171 VanDerWaalsContact C-N 3.31Å; F169-I171 PolarHBondContact O-N 3.11Å; I171-T174 PolarHBondContact O-N 2.88Å; I171-C175 VanDerWaalsContact O-CB 3.3Å; I171-C175 WeakPolarHBondContact O-CB 3.11Å; I171-C175 PolarHBondContact O-N 3.49Å
172F40.1Very low43.7Very low74 Ų7484.8 Ų84.833%0.32544%0.444SS..Hα-helixtrans-60.9-49.9176.3174.3-99000112T168 F169 T174 C175 A176 C369T168-F172 PolarHBondContact O-N 3.44Å; F169-F172 PolarHBondContact O-N 2.95Å; F172-T174 VanDerWaalsContact C-N 3.35Å; F172-T174 PolarHBondContact O-N 3.35Å; F172-C175 WeakPolarHBondContact O-CB 3.39Å; F172-C175 PolarHBondContact O-N 3.48Å; F172-A176 PolarHBondContact O-N 2.82Å; F172-C369 HydrophobicContact CE2-CB 4.08Å; F172-C369 HydrophobicContact CZ-CB 4.25Å
173L43.3Very low43.8Very low74 Ų7484.6 Ų84.639%0.38745%0.447SS..Hα-helixtrans-62.9-40.7179.6-69.3177.9000112.4F169 Q170 C175 A176 D177F169-L173 HydrophobicContact CD1-CD1 4Å; F169-L173 HydrophobicContact CE1-CD1 3.54Å; F169-L173 HydrophobicContact CE1-CG 4.23Å; F169-L173 HydrophobicContact CE2-CG 4.39Å; F169-L173 HydrophobicContact CZ-CD1 3.86Å; F169-L173 HydrophobicContact CZ-CD2 4.24Å; F169-L173 HydrophobicContact CZ-CG 4.11Å; F169-L173 PolarHBondContact O-N 3.42Å; F169-L173 VanDerWaalsContact O-N 3.12Å; Q170-L173 PolarHBondContact O-N 2.84Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-C175 PolarHBondContact O-N 2.79Å; L173-A176 PolarHBondContact O-N 3Å; L173-D177 WeakPolarHBondContact O-CB 3.37Å; L173-D177 PolarHBondContact O-N 2.95Å
174T49.9Very low44.2Very low90 Ų9082.8 Ų82.855%0.55244%0.438SS*.Hα-helixtrans-65.6-37.5176.8-55.50000111.3Q170 I171 F172 K178Q170-T174 VanDerWaalsContact O-CB 3.28Å; Q170-T174 WeakPolarHBondContact O-CB 3.1Å; Q170-T174 PolarHBondContact O-N 3.34Å; Q170-T174 PolarHBondContact O-OG1 3.42Å; I171-T174 PolarHBondContact O-N 2.88Å; F172-T174 VanDerWaalsContact C-N 3.35Å; F172-T174 PolarHBondContact O-N 3.35Å; T174-K178 WeakPolarHBondContact O-CB 3.19Å; T174-K178 PolarHBondContact O-N 2.9Å
175C45.7Very low44.4Very low39 Ų3979 Ų7926%0.26442%0.418SS..Hα-helixtrans-65.4-48.2176.5-170.10000111.3I171 F172 L173 K178 R179I171-C175 VanDerWaalsContact O-CB 3.3Å; I171-C175 WeakPolarHBondContact O-CB 3.11Å; I171-C175 PolarHBondContact O-N 3.49Å; F172-C175 WeakPolarHBondContact O-CB 3.39Å; F172-C175 PolarHBondContact O-N 3.48Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-C175 PolarHBondContact O-N 2.79Å; C175-K178 PolarHBondContact O-N 3.31Å; C175-R179 WeakPolarHBondContact O-CB 3.37Å; C175-R179 PolarHBondContact O-N 3.46Å
176A42.8Very low45Very low13 Ų1380.1 Ų80.111%0.10742%0.417CS..Hα-helixtrans-60.5-46.817700000112.1F172 L173 R179 M180F172-A176 PolarHBondContact O-N 2.82Å; L173-A176 PolarHBondContact O-N 3Å; A176-R179 PolarHBondContact O-N 2.96Å; A176-M180 WeakPolarHBondContact O-CG 3.38Å; A176-M180 PolarHBondContact O-N 3.12Å
177D47.2Very low45.6Very low69 Ų6982.2 Ų82.237%0.36942%0.422SS..Hα-helixtrans-62.1-43.3176.6179.260.6000112.1L173 R179 M180 K181L173-D177 WeakPolarHBondContact O-CB 3.37Å; L173-D177 PolarHBondContact O-N 2.95Å; D177-R179 VanDerWaalsContact C-N 3.29Å; D177-R179 PolarHBondContact O-N 2.91Å; D177-M180 PolarHBondContact O-N 2.96Å; D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.34Å; D177-K181 PolarHBondContact O-N 3.31Å; D177-K181 WeakPolarHBondContact OD1-CE 3.28Å; D177-K181 IonicContact OD1-NZ 3.62Å; D177-K181 VanDerWaalsContact OD2-CE 3.25Å; D177-K181 WeakPolarHBondContact OD2-CE 3.32Å; D177-K181 IonicContact OD2-NZ 2.65Å; D177-K181 PolarHBondContact OD2-NZ 3.25Å
178K52.7Low46Very low152 Ų15282.1 Ų82.166%0.66142%0.421SS*.Hα-helixtrans-61.1-40.3175.9-170.9179.3-172-176.50111.4T174 C175 K181 V182T174-K178 WeakPolarHBondContact O-CB 3.19Å; T174-K178 PolarHBondContact O-N 2.9Å; C175-K178 PolarHBondContact O-N 3.31Å; K178-K181 PolarHBondContact O-N 2.79Å; K178-V182 WeakPolarHBondContact O-CG2 3.37Å; K178-V182 PolarHBondContact O-N 3.26Å
179R47.4Very low46.4Very low73 Ų7382.2 Ų82.228%0.27542%0.421SS..Hα-helixtrans-72.4-36.1-178.5-141.7175177.1161.511.7112.3C175 A176 D177 K181 V182 F368 D372C175-R179 WeakPolarHBondContact O-CB 3.37Å; C175-R179 PolarHBondContact O-N 3.46Å; A176-R179 PolarHBondContact O-N 2.96Å; D177-R179 VanDerWaalsContact C-N 3.29Å; D177-R179 PolarHBondContact O-N 2.91Å; R179-K181 VanDerWaalsContact C-N 3.3Å; R179-K181 PolarHBondContact O-N 3.41Å; R179-V182 PolarHBondContact O-N 2.9Å; R179-F368 HydrophobicContact CB-CE1 4.44Å; R179-F368 HydrophobicContact CB-CZ 3.92Å; R179-F368 VanDerWaalsContact CD-CZ 3.49Å; R179-F368 HydrophobicContact CG-CE2 4.32Å; R179-F368 HydrophobicContact CG-CZ 3.74Å; R179-D372 IonicContact CZ-OD2 3.12Å; R179-D372 VanDerWaalsContact NH1-CB 3.32Å; R179-D372 IonicContact NH1-OD2 2.78Å; R179-D372 PolarHBondContact NH1-OD2 3.38Å; R179-D372 IonicContact NH2-OD2 2.61Å; R179-D372 PolarHBondContact NH2-OD2 2.98Å
180M43.7Very low46.8Very low65 Ų6581 Ų8132%0.3242%0.416SS..Hα-helixtrans-66.9-29.3171.2-67.9-156.1-60.200112.9A176 D177 V182 Y263A176-M180 WeakPolarHBondContact O-CG 3.38Å; A176-M180 PolarHBondContact O-N 3.12Å; D177-M180 PolarHBondContact O-N 2.96Å; M180-V182 VanDerWaalsContact C-N 3.31Å; M180-V182 PolarHBondContact O-N 3.39Å; M180-Y263 HydrophobicContact CE-CE1 4.27Å; M180-Y263 HydrophobicContact CE-CE2 4.43Å
181K51.3Low47.3Very low149 Ų14979.9 Ų79.965%0.64841%0.414SS*.Hα-helixtrans-74.5-16.4174.9-73.9169.3177.1169.70114.1D177 K178 R179 G183D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.34Å; D177-K181 PolarHBondContact O-N 3.31Å; D177-K181 WeakPolarHBondContact OD1-CE 3.28Å; D177-K181 IonicContact OD1-NZ 3.62Å; D177-K181 VanDerWaalsContact OD2-CE 3.25Å; D177-K181 WeakPolarHBondContact OD2-CE 3.32Å; D177-K181 IonicContact OD2-NZ 2.65Å; D177-K181 PolarHBondContact OD2-NZ 3.25Å; K178-K181 PolarHBondContact O-N 2.79Å; R179-K181 VanDerWaalsContact C-N 3.3Å; R179-K181 PolarHBondContact O-N 3.41Å; K181-G183 PolarHBondContact O-N 2.92Å
182V53.1Low47.3Very low89 Ų8979.2 Ų79.254%0.53941%0.408SS..SBendtrans-8391.6174.2-177.60000107.8K178 R179 M180 N184 V185K178-V182 WeakPolarHBondContact O-CG2 3.37Å; K178-V182 PolarHBondContact O-N 3.26Å; R179-V182 PolarHBondContact O-N 2.9Å; M180-V182 VanDerWaalsContact C-N 3.31Å; M180-V182 PolarHBondContact O-N 3.39Å; V182-N184 PolarHBondContact O-N 2.97Å; V182-V185 WeakPolarHBondContact O-CG2 3.2Å; V182-V185 PolarHBondContact O-N 3.44Å
183G39.4Very low47.8Very low55 Ų5576.7 Ų76.757%0.56740%0.398SS*.THydrogen-bonded Turntrans-60.215.1-163.300000120.2K181K181-G183 PolarHBondContact O-N 2.92Å
184N51.4Low48.2Very low111 Ų11175.1 Ų75.159%0.59439%0.39SS*.THydrogen-bonded Turntrans-106.8-6.8170.8-73.69.1000113V182 Q188V182-N184 PolarHBondContact O-N 2.97Å; N184-Q188 PolarHBondContact O-N 3.4Å
185V44.1Very low48.5Very low23 Ų2372.8 Ų72.814%0.13938%0.38CS..Hα-helixtrans-74.1-34.9-177.5169.40000111.5V182 E187 L189 F368V182-V185 WeakPolarHBondContact O-CG2 3.2Å; V182-V185 PolarHBondContact O-N 3.44Å; V185-E187 VanDerWaalsContact C-N 3.33Å; V185-E187 PolarHBondContact O-N 3.39Å; V185-L189 HydrophobicContact CG1-CD1 3.75Å; V185-L189 WeakPolarHBondContact O-CB 3.36Å; V185-L189 PolarHBondContact O-N 2.91Å; V185-L189 VanDerWaalsContact O-N 3.15Å; V185-F368 HydrophobicContact CG1-CD2 4.36Å; V185-F368 HydrophobicContact CG1-CE2 3.31Å; V185-F368 HydrophobicContact CG1-CZ 3.49Å; V185-F368 VanDerWaalsContact CG1-CZ 3.49Å
186E42.7Very low48.7Very low84 Ų8472.9 Ų72.939%0.39338%0.378SS..Hα-helixtrans-64.8-38.1178.8-62.9-171.8145.600111.8E190 Q256E186-E190 WeakPolarHBondContact O-CB 3.26Å; E186-E190 PolarHBondContact O-N 3.35Å; E186-Q256 PolarHBondContact OE1-NE2 3.23Å; E186-Q256 VanDerWaalsContact OE1-NE2 3.14Å
187E50Low49Very low127 Ų12773.1 Ų73.159%0.59338%0.376SS*.Hα-helixtrans-69.6-43.8-180-166.8173.8-163.500111.7V185 E190 D191V185-E187 VanDerWaalsContact C-N 3.33Å; V185-E187 PolarHBondContact O-N 3.39Å; E187-E190 WeakPolarHBondContact O-CB 3.49Å; E187-E190 PolarHBondContact O-N 3.24Å; E187-D191 PolarHBondContact O-N 3.49Å
188Q51.2Low49.2Very low125 Ų12573 Ų7358%0.58438%0.381SS*.Hα-helixtrans-65.1-43.3177.2-69.4179.4-0.200112.6N184 E190 D191 E192N184-Q188 PolarHBondContact O-N 3.4Å; Q188-E190 VanDerWaalsContact C-N 3.28Å; Q188-E190 PolarHBondContact O-N 2.81Å; Q188-D191 PolarHBondContact O-N 3.45Å; Q188-E192 WeakPolarHBondContact O-CB 3.37Å; Q188-E192 WeakPolarHBondContact O-CG 3.23Å; Q188-E192 PolarHBondContact O-N 2.77Å
189L46.5Very low49.2Very low28 Ų2871.5 Ų71.515%0.14737%0.371CS..Hα-helixtrans-64.9-35.2174.4-86.6152.9000111.5V185 L193 F368V185-L189 HydrophobicContact CG1-CD1 3.75Å; V185-L189 WeakPolarHBondContact O-CB 3.36Å; V185-L189 PolarHBondContact O-N 2.91Å; V185-L189 VanDerWaalsContact O-N 3.15Å; L189-L193 WeakPolarHBondContact O-CB 3.36Å; L189-L193 PolarHBondContact O-N 3.11Å; L189-F368 HydrophobicContact CD1-CD2 3.98Å; L189-F368 HydrophobicContact CD1-CE2 4.12Å; L189-F368 HydrophobicContact CD1-CG 4.36Å
190E46.3Very low49.2Very low40 Ų4070 Ų7019%0.18737%0.368CS..Hα-helixtrans-66.9-46.4175.5179.8148.9-174.400111.9E186 E187 Q188 E192 L193 N194 K255 R259E186-E190 WeakPolarHBondContact O-CB 3.26Å; E186-E190 PolarHBondContact O-N 3.35Å; E187-E190 WeakPolarHBondContact O-CB 3.49Å; E187-E190 PolarHBondContact O-N 3.24Å; Q188-E190 VanDerWaalsContact C-N 3.28Å; Q188-E190 PolarHBondContact O-N 2.81Å; E190-E192 VanDerWaalsContact C-N 3.33Å; E190-E192 PolarHBondContact O-N 3.37Å; E190-L193 PolarHBondContact O-N 3.17Å; E190-N194 VanDerWaalsContact CG-ND2 3.31Å; E190-N194 WeakPolarHBondContact CG-ND2 3.22Å; E190-N194 WeakPolarHBondContact O-CB 3.28Å; E190-N194 PolarHBondContact O-N 3.26Å; E190-N194 PolarHBondContact O-ND2 3.01Å; E190-N194 VanDerWaalsContact O-ND2 3.11Å; E190-K255 IonicContact OE1-NZ 3.3Å; E190-K255 PolarHBondContact OE1-NZ 2.94Å; E190-K255 VanDerWaalsContact OE1-NZ 3.08Å; E190-R259 VanDerWaalsContact CD-NH2 3.31Å; E190-R259 IonicContact OE1-NH2 2.85Å; E190-R259 IonicContact OE2-CZ 3.83Å; E190-R259 IonicContact OE2-NH1 2.81Å; E190-R259 PolarHBondContact OE2-NH1 3.49Å; E190-R259 IonicContact OE2-NH2 3.24Å; E190-R259 PolarHBondContact OE2-NH2 3.19Å; E190-R259 VanDerWaalsContact OE2-NH2 3.07Å
191D55.7Low49.3Very low99 Ų9968.8 Ų68.853%0.52936%0.364SS..Hα-helixtrans-61.3-41.9175.5-75.3-16.9000111.7E187 Q188 A195E187-D191 PolarHBondContact O-N 3.49Å; Q188-D191 PolarHBondContact O-N 3.45Å; D191-A195 WeakPolarHBondContact O-CB 3.3Å; D191-A195 PolarHBondContact O-N 3.16Å
192E49.5Very low49.3Very low85 Ų8565.1 Ų65.140%0.39735%0.354SS..Hα-helixtrans-66.2-45176.9-76.6-170.9-163.500112.8Q188 E190 A195 D196 R364Q188-E192 WeakPolarHBondContact O-CB 3.37Å; Q188-E192 WeakPolarHBondContact O-CG 3.23Å; Q188-E192 PolarHBondContact O-N 2.77Å; E190-E192 VanDerWaalsContact C-N 3.33Å; E190-E192 PolarHBondContact O-N 3.37Å; E192-A195 PolarHBondContact O-N 2.97Å; E192-D196 WeakPolarHBondContact O-CB 3.44Å; E192-D196 PolarHBondContact O-N 3.41Å; E192-R364 IonicContact OE2-CZ 3.22Å; E192-R364 IonicContact OE2-NE 2.8Å; E192-R364 IonicContact OE2-NH1 2.73Å; E192-R364 PolarHBondContact OE2-NH1 3.44Å
193L49.1Very low49Very low20 Ų2068 Ų6811%0.10536%0.355CS..Hα-helixtrans-65.7-41176.4-111.7117000111.4L189 E190 A195 D196 F197 F247 F357L189-L193 WeakPolarHBondContact O-CB 3.36Å; L189-L193 PolarHBondContact O-N 3.11Å; E190-L193 PolarHBondContact O-N 3.17Å; L193-A195 VanDerWaalsContact C-N 3.35Å; L193-D196 PolarHBondContact O-N 3.16Å; L193-F197 VanDerWaalsContact O-CB 3.23Å; L193-F197 WeakPolarHBondContact O-CB 3.15Å; L193-F197 PolarHBondContact O-N 2.82Å; L193-F247 HydrophobicContact CD2-CE1 4.35Å; L193-F357 HydrophobicContact CD2-CE2 4.27Å
194N52.4Low49.1Very low41 Ų4167.7 Ų67.722%0.21934%0.344CS..Hα-helixtrans-64.5-40.9176.7-73.1-24.7000110.9E190 S198 F248E190-N194 VanDerWaalsContact CG-ND2 3.31Å; E190-N194 WeakPolarHBondContact CG-ND2 3.22Å; E190-N194 WeakPolarHBondContact O-CB 3.28Å; E190-N194 PolarHBondContact O-N 3.26Å; E190-N194 PolarHBondContact O-ND2 3.01Å; E190-N194 VanDerWaalsContact O-ND2 3.11Å; N194-S198 WeakPolarHBondContact O-CB 3.19Å; N194-S198 PolarHBondContact O-N 3.36Å; N194-S198 PolarHBondContact O-OG 3.01Å; N194-F248 WeakPolarHBondContact OD1-CD1 3.47Å
195A57.1Low48.7Very low41 Ų4165.8 Ų65.834%0.33933%0.331SS..Hα-helixtrans-68.2-42.9176.300000112.1D191 E192 L193 R199D191-A195 WeakPolarHBondContact O-CB 3.3Å; D191-A195 PolarHBondContact O-N 3.16Å; E192-A195 PolarHBondContact O-N 2.97Å; L193-A195 VanDerWaalsContact C-N 3.35Å; A195-R199 WeakPolarHBondContact O-CB 3.42Å; A195-R199 VanDerWaalsContact O-CG 3.26Å; A195-R199 WeakPolarHBondContact O-CG 3.43Å; A195-R199 PolarHBondContact O-N 3.27Å
196D49.2Very low48.8Very low42 Ų4265.9 Ų65.923%0.22533%0.333CS..Hα-helixtrans-66.4-43.1176.9-80-8.9000111.6E192 L193 R199 M200 R364E192-D196 WeakPolarHBondContact O-CB 3.44Å; E192-D196 PolarHBondContact O-N 3.41Å; L193-D196 PolarHBondContact O-N 3.16Å; D196-R199 PolarHBondContact O-N 2.87Å; D196-R199 IonicContact OD1-CZ 3.98Å; D196-R199 IonicContact OD1-NE 2.73Å; D196-R199 IonicContact OD1-NH2 2.73Å; D196-R199 PolarHBondContact OD1-NH2 3.08Å; D196-M200 WeakPolarHBondContact O-CB 3.25Å; D196-M200 PolarHBondContact O-N 2.87Å; D196-R364 IonicContact OD1-NH2 3.89Å; D196-R364 PolarHBondContact OD1-NH2 2.81Å; D196-R364 IonicContact OD2-CZ 3.08Å; D196-R364 VanDerWaalsContact OD2-CZ 3.25Å; D196-R364 IonicContact OD2-NE 3.45Å; D196-R364 PolarHBondContact OD2-NE 2.56Å; D196-R364 IonicContact OD2-NH2 3.74Å; D196-R364 PolarHBondContact OD2-NH2 3.19Å
197F48.5Very low48.8Very low17 Ų1767.9 Ų67.98%0.07535%0.352CS..Hα-helixtrans-66.7-44.4175.1-176.5-100.5000111.8L193 R199 M200 V201 L243 F248 F357L193-F197 VanDerWaalsContact O-CB 3.23Å; L193-F197 WeakPolarHBondContact O-CB 3.15Å; L193-F197 PolarHBondContact O-N 2.82Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 3.46Å; F197-M200 HydrophobicContact CD2-CE 3.46Å; F197-M200 VanDerWaalsContact CD2-CE 3.46Å; F197-M200 HydrophobicContact CE2-CE 3.62Å; F197-M200 CarbonylContact O-C 3.55Å; F197-M200 PolarHBondContact O-N 3.49Å; F197-M200 VanDerWaalsContact O-N 3.1Å; F197-V201 HydrophobicContact CD1-CG2 3.73Å; F197-V201 HydrophobicContact CD2-CG2 4.32Å; F197-V201 HydrophobicContact CE1-CG2 3.32Å; F197-V201 HydrophobicContact CE2-CG2 3.94Å; F197-V201 HydrophobicContact CG-CG2 4.22Å; F197-V201 HydrophobicContact CZ-CG2 3.42Å; F197-V201 VanDerWaalsContact CZ-CG2 3.42Å; F197-V201 WeakPolarHBondContact O-CB 3.31Å; F197-V201 WeakPolarHBondContact O-CG2 3.17Å; F197-V201 PolarHBondContact O-N 3Å; F197-L243 HydrophobicContact CE2-CB 4.36Å; F197-L243 HydrophobicContact CE2-CD1 4.39Å; F197-L243 HydrophobicContact CZ-CB 4.15Å; F197-F248 HydrophobicContact CB-CE1 3.52Å; F197-F248 HydrophobicContact CB-CE2 4.24Å; F197-F248 HydrophobicContact CB-CZ 3.34Å; F197-F248 AromaticContact CD1-CD1 3.85Å; F197-F248 HydrophobicContact CD1-CD1 3.85Å; F197-F248 AromaticContact CD1-CD2 3.57Å; F197-F248 HydrophobicContact CD1-CD2 3.57Å; F197-F248 AromaticContact CD1-CE1 3.46Å; F197-F248 HydrophobicContact CD1-CE1 3.46Å; F197-F248 VanDerWaalsContact CD1-CE1 3.46Å; F197-F248 AromaticContact CD1-CE2 3.2Å; F197-F248 HydrophobicContact CD1-CE2 3.2Å; F197-F248 AromaticContact CD1-CG 3.92Å; F197-F248 HydrophobicContact CD1-CG 3.92Å; F197-F248 AromaticContact CD1-CZ 3.14Å; F197-F248 HydrophobicContact CD1-CZ 3.14Å; F197-F248 HydrophobicContact CD2-CD2 4.47Å; F197-F248 HydrophobicContact CD2-CE1 4.26Å; F197-F248 AromaticContact CD2-CE2 3.39Å; F197-F248 HydrophobicContact CD2-CE2 3.39Å; F197-F248 AromaticContact CD2-CZ 3.26Å; F197-F248 HydrophobicContact CD2-CZ 3.26Å; F197-F248 HydrophobicContact CE1-CD1 4.32Å; F197-F248 AromaticContact CE1-CD2 3.23Å; F197-F248 HydrophobicContact CE1-CD2 3.23Å; F197-F248 HydrophobicContact CE1-CE1 4.19Å; F197-F248 AromaticContact CE1-CE2 3.1Å; F197-F248 HydrophobicContact CE1-CE2 3.1Å; F197-F248 AromaticContact CE1-CG 3.9Å; F197-F248 HydrophobicContact CE1-CG 3.9Å; F197-F248 AromaticContact CE1-CZ 3.63Å; F197-F248 HydrophobicContact CE1-CZ 3.63Å; F197-F248 HydrophobicContact CE2-CD2 4.23Å; F197-F248 AromaticContact CE2-CE2 3.32Å; F197-F248 HydrophobicContact CE2-CE2 3.32Å; F197-F248 AromaticContact CE2-CZ 3.75Å; F197-F248 HydrophobicContact CE2-CZ 3.75Å; F197-F248 HydrophobicContact CG-CD1 4.35Å; F197-F248 HydrophobicContact CG-CD2 4.18Å; F197-F248 AromaticContact CG-CE1 3.5Å; F197-F248 HydrophobicContact CG-CE1 3.5Å; F197-F248 VanDerWaalsContact CG-CE1 3.5Å; F197-F248 AromaticContact CG-CE2 3.34Å; F197-F248 HydrophobicContact CG-CE2 3.34Å; F197-F248 AromaticContact CG-CZ 2.92Å; F197-F248 HydrophobicContact CG-CZ 2.92Å; F197-F248 AromaticContact CZ-CD2 3.62Å; F197-F248 HydrophobicContact CZ-CD2 3.62Å; F197-F248 AromaticContact CZ-CE2 3.17Å; F197-F248 HydrophobicContact CZ-CE2 3.17Å; F197-F248 AromaticContact CZ-CZ 3.92Å; F197-F248 HydrophobicContact CZ-CZ 3.92Å; F197-F357 AromaticContact CD2-CD2 3.99Å; F197-F357 HydrophobicContact CD2-CD2 3.99Å; F197-F357 HydrophobicContact CD2-CE2 4.31Å; F197-F357 HydrophobicContact CE2-CD2 4.36Å
198S52.2Low48.7Very low66 Ų6666.8 Ų66.846%0.46235%0.351SS..Hα-helixtrans-59.5-40.1175.1-63.80000111.1N194 T202N194-S198 WeakPolarHBondContact O-CB 3.19Å; N194-S198 PolarHBondContact O-N 3.36Å; N194-S198 PolarHBondContact O-OG 3.01Å; S198-T202 VanDerWaalsContact O-CB 3.26Å; S198-T202 WeakPolarHBondContact O-CB 3.35Å; S198-T202 PolarHBondContact O-N 3.38Å; S198-T202 PolarHBondContact O-OG1 2.87Å
199R53.5Low48.5Very low121 Ų12164.7 Ų64.746%0.45734%0.344SS..Hα-helixtrans-64.7-43.8172.9-78.9-172.7-73.3-159.8-4.4112.1A195 D196 F197 T202 R203A195-R199 WeakPolarHBondContact O-CB 3.42Å; A195-R199 VanDerWaalsContact O-CG 3.26Å; A195-R199 WeakPolarHBondContact O-CG 3.43Å; A195-R199 PolarHBondContact O-N 3.27Å; D196-R199 PolarHBondContact O-N 2.87Å; D196-R199 IonicContact OD1-CZ 3.98Å; D196-R199 IonicContact OD1-NE 2.73Å; D196-R199 IonicContact OD1-NH2 2.73Å; D196-R199 PolarHBondContact OD1-NH2 3.08Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 3.46Å; R199-T202 PolarHBondContact O-N 3Å; R199-R203 WeakPolarHBondContact O-CB 3.17Å; R199-R203 WeakPolarHBondContact O-CD 3.46Å; R199-R203 WeakPolarHBondContact O-CG 3.35Å; R199-R203 PolarHBondContact O-N 2.89Å
200M47.5Very low48.6Very low43 Ų4368.4 Ų68.421%0.21237%0.372CS..Hα-helixtrans-62.8-45.9177-175.1-179.771.300110.9D196 F197 R203 C204D196-M200 WeakPolarHBondContact O-CB 3.25Å; D196-M200 PolarHBondContact O-N 2.87Å; F197-M200 HydrophobicContact CD2-CE 3.46Å; F197-M200 VanDerWaalsContact CD2-CE 3.46Å; F197-M200 HydrophobicContact CE2-CE 3.62Å; F197-M200 CarbonylContact O-C 3.55Å; F197-M200 PolarHBondContact O-N 3.49Å; F197-M200 VanDerWaalsContact O-N 3.1Å; M200-R203 PolarHBondContact O-N 3.25Å; M200-C204 VanDerWaalsContact O-CB 3.23Å; M200-C204 WeakPolarHBondContact O-CB 3.2Å; M200-C204 PolarHBondContact O-N 3.44Å; M200-C204 PolarHBondContact O-SG 3.47Å
201V45.6Very low48.5Very low38 Ų3869.1 Ų69.123%0.2338%0.379CS..Hα-helixtrans-62.8-46.2177.5171.80000111.4F197 R203 F205 S206F197-V201 HydrophobicContact CD1-CG2 3.73Å; F197-V201 HydrophobicContact CD2-CG2 4.32Å; F197-V201 HydrophobicContact CE1-CG2 3.32Å; F197-V201 HydrophobicContact CE2-CG2 3.94Å; F197-V201 HydrophobicContact CG-CG2 4.22Å; F197-V201 HydrophobicContact CZ-CG2 3.42Å; F197-V201 VanDerWaalsContact CZ-CG2 3.42Å; F197-V201 WeakPolarHBondContact O-CB 3.31Å; F197-V201 WeakPolarHBondContact O-CG2 3.17Å; F197-V201 PolarHBondContact O-N 3Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 3.44Å; V201-F205 CarbonylContact O-C 3.39Å; V201-F205 WeakPolarHBondContact O-CA 3.4Å; V201-F205 WeakPolarHBondContact O-CB 3.37Å; V201-F205 PolarHBondContact O-N 2.96Å; V201-S206 PolarHBondContact O-N 3.11Å
202T50.8Low47.8Very low73 Ų7368.3 Ų68.345%0.44837%0.371SS..Hα-helixtrans-63.6-39.4177.3-54.30000111.3S198 R199 S206S198-T202 VanDerWaalsContact O-CB 3.26Å; S198-T202 WeakPolarHBondContact O-CB 3.35Å; S198-T202 PolarHBondContact O-N 3.38Å; S198-T202 PolarHBondContact O-OG1 2.87Å; R199-T202 PolarHBondContact O-N 3Å; T202-S206 WeakPolarHBondContact O-CB 3.33Å
203R46.9Very low47.2Very low148 Ų14868.4 Ų68.456%0.55838%0.377SS*.Hα-helixtrans-76.9-38.4-178.1-74173.3177.7-171.6-1.4113.6R199 M200 V201R199-R203 WeakPolarHBondContact O-CB 3.17Å; R199-R203 WeakPolarHBondContact O-CD 3.46Å; R199-R203 WeakPolarHBondContact O-CG 3.35Å; R199-R203 PolarHBondContact O-N 2.89Å; M200-R203 PolarHBondContact O-N 3.25Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 3.44Å
204C41.3Very low46.7Very low49 Ų4973.9 Ų73.933%0.33141%0.414SS..Hα-helixtrans-96.9-25.9-172.8-64.50000113.3M200M200-C204 VanDerWaalsContact O-CB 3.23Å; M200-C204 WeakPolarHBondContact O-CB 3.2Å; M200-C204 PolarHBondContact O-N 3.44Å; M200-C204 PolarHBondContact O-SG 3.47Å
205F43.8Very low46.2Very low71 Ų7178.5 Ų78.531%0.31143%0.434SS..Hα-helixtrans-133.810.1-166.1-52.8-62.7000114.5V201 T236 A353V201-F205 CarbonylContact O-C 3.39Å; V201-F205 WeakPolarHBondContact O-CA 3.4Å; V201-F205 WeakPolarHBondContact O-CB 3.37Å; V201-F205 PolarHBondContact O-N 2.96Å; F205-T236 HydrophobicContact CD1-CG2 4.36Å; F205-T236 HydrophobicContact CE1-CG2 3.72Å; F205-T236 HydrophobicContact CZ-CG2 4.45Å; F205-A353 HydrophobicContact CZ-CB 4.25Å
206S45.5Very low45.1Very low26 Ų2681.5 Ų81.518%0.18244%0.442CS..  trans-67126.7176.4-175.20000110.9V201 T202 D208 T211V201-S206 PolarHBondContact O-N 3.11Å; T202-S206 WeakPolarHBondContact O-CB 3.33Å; S206-D208 PolarHBondContact O-N 2.9Å; S206-T211 WeakPolarHBondContact CB-OG1 3.48Å; S206-T211 PolarHBondContact OG-OG1 3.43Å
207P41.9Very low44.3Very low125 Ų12583 Ų8381%0.81246%0.455SS*.SBendtrans-67.4-20.4179.626-31.8000112.4
208D47.9Very low43.6Very low105 Ų10588.2 Ų88.256%0.56149%0.491SS*.  trans-87.5118.1179.5-78.2-33.4000111.9S206 S210 T211S206-D208 PolarHBondContact O-N 2.9Å; D208-S210 PolarHBondContact O-N 3.36Å; D208-T211 PolarHBondContact O-N 3.48Å; D208-T211 VanDerWaalsContact O-N 3.16Å; D208-T211 PolarHBondContact O-OG1 2.91Å
209D47.5Very low42.7Very low81 Ų8188.4 Ų88.443%0.43349%0.486SS..G310 helixtrans-53.5-19.1173.7-92.5-22.7000112.7T211 K212 R225D209-T211 VanDerWaalsContact C-N 3.31Å; D209-T211 PolarHBondContact O-N 3.25Å; D209-K212 WeakPolarHBondContact OD1-CD 3.47Å; D209-K212 WeakPolarHBondContact OD1-CE 3.43Å; D209-K212 IonicContact OD1-NZ 2.7Å; D209-K212 PolarHBondContact OD1-NZ 3.41Å; D209-R225 IonicContact OD2-NH2 2.9Å; D209-R225 PolarHBondContact OD2-NH2 3.4Å
210S48.3Very low42Very low105 Ų10591.6 Ų91.673%0.73450%0.498SS*.G310 helixtrans-73.7-15.3-179.462.50000114.9D208D208-S210 PolarHBondContact O-N 3.36Å
211T44.3Very low41.7Very low55 Ų5591.5 Ų91.534%0.33751%0.505SS..G310 helixtrans-106-2.9179.753.60000113.5S206 D208 D209 T213S206-T211 WeakPolarHBondContact CB-OG1 3.48Å; S206-T211 PolarHBondContact OG-OG1 3.43Å; D208-T211 PolarHBondContact O-N 3.48Å; D208-T211 VanDerWaalsContact O-N 3.16Å; D208-T211 PolarHBondContact O-OG1 2.91Å; D209-T211 VanDerWaalsContact C-N 3.31Å; D209-T211 PolarHBondContact O-N 3.25Å; T211-T213 PolarHBondContact O-N 2.76Å; T211-T213 VanDerWaalsContact O-N 3.08Å
212K41.4Very low41.3Very low83 Ų8396 Ų9636%0.36152%0.522SS..  trans-76.694.5175-64.7-178-172.5166.30108.9D209D209-K212 WeakPolarHBondContact OD1-CD 3.47Å; D209-K212 WeakPolarHBondContact OD1-CE 3.43Å; D209-K212 IonicContact OD1-NZ 2.7Å; D209-K212 PolarHBondContact OD1-NZ 3.41Å
213T36.8Very low41Very low86 Ų8695.6 Ų95.653%0.52851%0.514SS..  trans-60.4128.1166.133.60000108.6T211 Q215T211-T213 PolarHBondContact O-N 2.76Å; T211-T213 VanDerWaalsContact O-N 3.08Å; T213-Q215 PolarHBondContact O-N 3.07Å
214P39.5Very low40.6Very low135 Ų13591.1 Ų91.188%0.87751%0.509SS*.THydrogen-bonded Turntrans-58.8-8.2-173.7-17.120.7000115.2
215Q40.9Very low40.4Very low138 Ų13897.9 Ų97.965%0.64553%0.528SS*.THydrogen-bonded Turntrans-98.9-11.1-164.7-76.4-176.2-25.800115.5T213T213-Q215 PolarHBondContact O-N 3.07Å
216M33.7Very low40.3Very low104 Ų104102.5 Ų102.551%0.51254%0.543SS..SBendtrans-15472.4-177.3-73-166.3156.900113.8M25 L29M25-M216 HydrophobicContact CG-CE 4.28Å; L29-M216 HydrophobicContact CD2-CE 3.86Å; L29-M216 HydrophobicContact CD2-SD 4.45Å
217C33.7Very low39.8Very low73 Ų73105.8 Ų105.849%0.49356%0.558SS.*  trans160.795.8150.5-89.70000108.4L219C217-L219 PolarHBondContact O-N 3.37Å
218P32.5Very low39.5Very low128 Ų128104.8 Ų104.883%0.83155%0.552SS**  trans-82.961.2172.336.5-31.6000109.1R220P218-R220 VanDerWaalsContact C-N 3.33Å; P218-R220 PolarHBondContact O-N 3.24Å
219L34Very low38.9Very low69 Ų69105.8 Ų105.836%0.36157%0.567SS.*  trans-78.498.3150.8-94169.9000104.5C217 A221 E223C217-L219 PolarHBondContact O-N 3.37Å; L219-A221 PolarHBondContact O-N 3.04Å; L219-E223 WeakPolarHBondContact CD2-OE2 3.23Å
220R39.5Very low38.3Very low188 Ų188112 Ų11271%0.70958%0.584SS**  trans-50.2134.1-179.4-72.8-179.6179.11781.1107.5P218 F222 E223P218-R220 VanDerWaalsContact C-N 3.33Å; P218-R220 PolarHBondContact O-N 3.24Å; R220-F222 HydrophobicContact CB-CB 4.43Å; R220-F222 PolarHBondContact O-N 3.01Å; R220-E223 PolarHBondContact O-N 3.33Å
221A39.7Very low37.9Very low42 Ų42115 Ų11535%0.34759%0.592SS.*Hα-helixtrans-52.4-15.9176.900000113.5L219 R225L219-A221 PolarHBondContact O-N 3.04Å; A221-R225 WeakPolarHBondContact O-CG 3.25Å
222F37.8Very low38Very low133 Ų133117.7 Ų117.758%0.58361%0.608SS**Hα-helixtrans-73.1-28.6173.1-164.8-103.9000114.8R220R220-F222 HydrophobicContact CB-CB 4.43Å; R220-F222 PolarHBondContact O-N 3.01Å
223E43.9Very low38.7Very low63 Ų63120.9 Ų120.929%0.29462%0.624SS.*Hα-helixtrans-84.7-38179.2-71.7167.7176.700111.4L219 R220 R225 R226L219-E223 WeakPolarHBondContact CD2-OE2 3.23Å; R220-E223 PolarHBondContact O-N 3.33Å; E223-R225 VanDerWaalsContact C-N 3.27Å; E223-R225 PolarHBondContact O-N 3.33Å; E223-R226 PolarHBondContact O-N 2.97Å
224A38.4Very low39.9Very low55 Ų55117.5 Ų117.546%0.45560%0.604SS.*Hα-helixtrans-64.2-28.4174.300000113.3
225R38.4Very low40.8Very low191 Ų191111.6 Ų111.672%0.72157%0.567SS**THydrogen-bonded Turntrans-86.7-10.1179.3-70.5179.6-166.5-170.45.6114.2D209 A221 E223D209-R225 IonicContact OD2-NH2 2.9Å; D209-R225 PolarHBondContact OD2-NH2 3.4Å; A221-R225 WeakPolarHBondContact O-CG 3.25Å; E223-R225 VanDerWaalsContact C-N 3.27Å; E223-R225 PolarHBondContact O-N 3.33Å
226R40Very low41.5Very low168 Ų168105.8 Ų105.863%0.63454%0.541SS*.  trans-93.7-4.5179.9-90.2-169-178.5-170.90.5114.4E223 P228E223-R226 PolarHBondContact O-N 2.97Å; R226-P228 WeakPolarHBondContact O-CD 3.17Å; R226-P228 VanDerWaalsContact O-N 3.12Å
227L36.9Very low42.9Very low95 Ų95106 Ų10650%0.49754%0.539SS..SBendtrans-67105.8170.2-78.3163.4000108.5S229L227-S229 PolarHBondContact O-N 3.47Å
228P35.2Very low44.2Very low104 Ų104103.3 Ų103.368%0.67552%0.522SS*.  trans-69123178.3-7.326000106.9R226 R230R226-P228 WeakPolarHBondContact O-CD 3.17Å; R226-P228 VanDerWaalsContact O-N 3.12Å; P228-R230 PolarHBondContact O-N 2.85Å
229S34.5Very low45.4Very low125 Ų12597.3 Ų97.387%0.87448%0.483SS*.SBendtrans-68.847.7173.940.40000112.7L227L227-S229 PolarHBondContact O-N 3.47Å
230R35.6Very low46.7Very low213 Ų21395.9 Ų95.980%0.80448%0.476SS*.SBendtrans-144.898.5174.1-69.5-169.7175.9-176.3-1.9110.9P228 V232P228-R230 PolarHBondContact O-N 2.85Å; R230-V232 PolarHBondContact O-N 3.49Å
231N39.6Very low47.8Very low167 Ų16789 Ų8989%0.89346%0.457SS*.SBendtrans6926.2153.9-62.3-6000120.3
232V45.3Very low48.9Very low111 Ų11187.4 Ų87.467%0.67344%0.442SS*.  trans-132.7105.9160.9-171.90000108.3R230 S234R230-V232 PolarHBondContact O-N 3.49Å; V232-S234 PolarHBondContact O-N 3.38Å
233E56.3Low49.9Very low150 Ų15081.3 Ų81.370%0.70142%0.416SS*.  trans-61.8115.7167.6-72.3-176.616400107.5F237E233-F237 HydrophobicContact CB-CD1 4.31Å; E233-F237 HydrophobicContact CG-CD1 4.2Å; E233-F237 HydrophobicContact CG-CE1 4.38Å
234S63Low50.8Low15 Ų1584 Ų8411%0.10543%0.426CS..  trans-63.6147175.3107.70000109.2V232 T236 F237 A238 D346V232-S234 PolarHBondContact O-N 3.38Å; S234-T236 PolarHBondContact O-N 2.68Å; S234-T236 PolarHBondContact OG-N 3.26Å; S234-F237 CarbonylContact O-C 3.48Å; S234-F237 WeakPolarHBondContact O-CA 3.25Å; S234-F237 WeakPolarHBondContact O-CB 3.41Å; S234-F237 PolarHBondContact O-N 2.83Å; S234-F237 PolarHBondContact OG-N 3.42Å; S234-A238 WeakPolarHBondContact O-CB 3.31Å; S234-A238 PolarHBondContact O-N 3.48Å; S234-D346 VanDerWaalsContact CA-OD2 3.3Å; S234-D346 WeakPolarHBondContact CA-OD2 3.49Å; S234-D346 WeakPolarHBondContact CB-OD1 3.42Å; S234-D346 WeakPolarHBondContact CB-OD2 2.66Å; S234-D346 PolarHBondContact OG-OD1 3.27Å; S234-D346 PolarHBondContact OG-OD2 3.48Å
235A57.9Low51.9Low12 Ų1287.7 Ų87.710%0.09943%0.432CS..Hα-helixtrans-53.7-41.117500000111A238 V239 A330 D346 A350A235-A238 PolarHBondContact O-N 2.97Å; A235-V239 WeakPolarHBondContact O-CB 3.42Å; A235-V239 VanDerWaalsContact O-CG2 3.25Å; A235-V239 WeakPolarHBondContact O-CG2 3.01Å; A235-V239 PolarHBondContact O-N 2.88Å; A235-A330 HydrophobicContact CB-CB 3.48Å; A235-A330 VanDerWaalsContact CB-CB 3.48Å; A235-D346 WeakPolarHBondContact CB-OD2 2.92Å; A235-D346 PolarHBondContact N-OD2 3.26Å; A235-A350 HydrophobicContact CB-CB 3.92Å
236T56Low52.7Low16 Ų1679 Ų7910%0.09840%0.4CS..Hα-helixtrans-62.3-45.1174.8-55.40000111.5F205 S234 V239 N240 D346F205-T236 HydrophobicContact CD1-CG2 4.36Å; F205-T236 HydrophobicContact CE1-CG2 3.72Å; F205-T236 HydrophobicContact CZ-CG2 4.45Å; S234-T236 PolarHBondContact O-N 2.68Å; S234-T236 PolarHBondContact OG-N 3.26Å; T236-V239 PolarHBondContact O-N 3.42Å; T236-N240 VanDerWaalsContact O-CB 3.25Å; T236-N240 WeakPolarHBondContact O-CB 3.47Å; T236-N240 PolarHBondContact O-N 3.39Å; T236-D346 WeakPolarHBondContact CB-OD1 3.42Å; T236-D346 PolarHBondContact N-OD1 3.39Å; T236-D346 PolarHBondContact OG1-O 2.91Å; T236-D346 VanDerWaalsContact OG1-O 3.11Å; T236-D346 PolarHBondContact OG1-OD1 3.03Å
237F62.5Low53.4Low108 Ų10871.4 Ų71.447%0.47437%0.371SS..Hα-helixtrans-63.3-41.5176.8180-94.8000112.1E233 S234 N240 S241E233-F237 HydrophobicContact CB-CD1 4.31Å; E233-F237 HydrophobicContact CG-CD1 4.2Å; E233-F237 HydrophobicContact CG-CE1 4.38Å; S234-F237 CarbonylContact O-C 3.48Å; S234-F237 WeakPolarHBondContact O-CA 3.25Å; S234-F237 WeakPolarHBondContact O-CB 3.41Å; S234-F237 PolarHBondContact O-N 2.83Å; S234-F237 PolarHBondContact OG-N 3.42Å; F237-N240 PolarHBondContact O-N 2.89Å; F237-S241 WeakPolarHBondContact CE1-OG 3.27Å; F237-S241 VanDerWaalsContact O-CB 3.24Å; F237-S241 WeakPolarHBondContact O-CB 3.26Å; F237-S241 PolarHBondContact O-N 3.23Å; F237-S241 PolarHBondContact O-OG 3.4Å
238A60.7Low54.2Low17 Ų1768 Ų6814%0.1435%0.352CS..Hα-helixtrans-66.9-42.6179.300000111.2S234 A235 S241 Y242 P326S234-A238 WeakPolarHBondContact O-CB 3.31Å; S234-A238 PolarHBondContact O-N 3.48Å; A235-A238 PolarHBondContact O-N 2.97Å; A238-S241 PolarHBondContact O-N 3.3Å; A238-Y242 WeakPolarHBondContact O-CB 3.38Å; A238-Y242 PolarHBondContact O-N 2.83Å; A238-P326 HydrophobicContact CB-CB 4.47Å; A238-P326 HydrophobicContact CB-CG 3.63Å
239V58.9Low55.3Low2 Ų268.4 Ų68.41%0.01235%0.349CS..Hα-helixtrans-66.4-42.7174.9172.20000111.6A235 T236 Y242 L243 P326 V327 A350A235-V239 WeakPolarHBondContact O-CB 3.42Å; A235-V239 VanDerWaalsContact O-CG2 3.25Å; A235-V239 WeakPolarHBondContact O-CG2 3.01Å; A235-V239 PolarHBondContact O-N 2.88Å; T236-V239 PolarHBondContact O-N 3.42Å; V239-Y242 PolarHBondContact O-N 2.83Å; V239-L243 HydrophobicContact CG1-CD1 3.9Å; V239-L243 HydrophobicContact CG1-CG 4.25Å; V239-L243 WeakPolarHBondContact O-CB 3.37Å; V239-L243 VanDerWaalsContact O-CG 3.29Å; V239-L243 WeakPolarHBondContact O-CG 3.37Å; V239-L243 PolarHBondContact O-N 3.28Å; V239-P326 HydrophobicContact CG2-CG 4.31Å; V239-V327 HydrophobicContact CB-CG2 4.5Å; V239-V327 HydrophobicContact CG1-CG2 4.32Å; V239-V327 HydrophobicContact CG2-CB 4.47Å; V239-V327 HydrophobicContact CG2-CG2 3.35Å; V239-A350 HydrophobicContact CB-CB 4.33Å; V239-A350 HydrophobicContact CG2-CB 3.88Å
240N60.9Low56.6Low38 Ų3865.6 Ų65.620%0.20332%0.319CS..Hα-helixtrans-61.6-48.8175.4-176.927.1000111.5T236 F237 Y242 L243 K244T236-N240 VanDerWaalsContact O-CB 3.25Å; T236-N240 WeakPolarHBondContact O-CB 3.47Å; T236-N240 PolarHBondContact O-N 3.39Å; F237-N240 PolarHBondContact O-N 2.89Å; N240-Y242 VanDerWaalsContact C-N 3.26Å; N240-Y242 PolarHBondContact O-N 2.69Å; N240-L243 PolarHBondContact O-N 3.13Å; N240-K244 VanDerWaalsContact O-CB 3.3Å; N240-K244 WeakPolarHBondContact O-CB 2.84Å; N240-K244 PolarHBondContact O-N 3.01Å
241S63.1Low57.6Low45 Ų4562 Ų6232%0.31531%0.311SS..Hα-helixtrans-60.5-39.8176.8-63.10000111.2F237 A238 K245F237-S241 WeakPolarHBondContact CE1-OG 3.27Å; F237-S241 VanDerWaalsContact O-CB 3.24Å; F237-S241 WeakPolarHBondContact O-CB 3.26Å; F237-S241 PolarHBondContact O-N 3.23Å; F237-S241 PolarHBondContact O-OG 3.4Å; A238-S241 PolarHBondContact O-N 3.3Å; S241-K245 WeakPolarHBondContact O-CB 3.34Å; S241-K245 PolarHBondContact O-N 2.75Å
242Y62.3Low58.1Low7 Ų758.5 Ų58.53%0.02730%0.298CS..Hα-helixtrans-66-51.9176.7-178.2-88.8000111.8A238 V239 N240 K244 K245 F246 F314 L318 P323 L325A238-Y242 WeakPolarHBondContact O-CB 3.38Å; A238-Y242 PolarHBondContact O-N 2.83Å; V239-Y242 PolarHBondContact O-N 2.83Å; N240-Y242 VanDerWaalsContact C-N 3.26Å; N240-Y242 PolarHBondContact O-N 2.69Å; Y242-K244 VanDerWaalsContact C-N 3.32Å; Y242-K244 PolarHBondContact O-N 3.49Å; Y242-K245 PolarHBondContact O-N 3.44Å; Y242-F246 HydrophobicContact CD1-CB 4.49Å; Y242-F246 HydrophobicContact CD2-CB 4.38Å; Y242-F246 AromaticContact CD2-CD2 3.33Å; Y242-F246 HydrophobicContact CD2-CD2 3.33Å; Y242-F246 AromaticContact CD2-CE2 3.81Å; Y242-F246 HydrophobicContact CD2-CE2 3.81Å; Y242-F246 AromaticContact CD2-CG 3.99Å; Y242-F246 HydrophobicContact CD2-CG 3.99Å; Y242-F246 HydrophobicContact CE1-CB 4.26Å; Y242-F246 HydrophobicContact CE2-CB 4.08Å; Y242-F246 HydrophobicContact CE2-CD1 4.43Å; Y242-F246 AromaticContact CE2-CD2 3.58Å; Y242-F246 HydrophobicContact CE2-CD2 3.58Å; Y242-F246 HydrophobicContact CE2-CE2 4.13Å; Y242-F246 AromaticContact CE2-CG 3.77Å; Y242-F246 HydrophobicContact CE2-CG 3.77Å; Y242-F246 AromaticContact CG-CD2 3.93Å; Y242-F246 HydrophobicContact CG-CD2 3.93Å; Y242-F246 WeakPolarHBondContact O-CA 3.43Å; Y242-F246 VanDerWaalsContact O-CB 3.27Å; Y242-F246 WeakPolarHBondContact O-CB 2.93Å; Y242-F246 WeakPolarHBondContact O-CD2 3.28Å; Y242-F246 PolarHBondContact O-N 2.88Å; Y242-F314 AromaticContact CE1-CD1 3.66Å; Y242-F314 HydrophobicContact CE1-CD1 3.66Å; Y242-F314 AromaticContact CE1-CE1 3.64Å; Y242-F314 HydrophobicContact CE1-CE1 3.64Å; Y242-F314 HydrophobicContact CE1-CG 4.38Å; Y242-F314 HydrophobicContact CE1-CZ 4.41Å; Y242-F314 AromaticContact CZ-CD1 3.79Å; Y242-F314 WeakPolarHBondContact OH-CD1 3.26Å; Y242-L318 HydrophobicContact CE2-CD1 4.35Å; Y242-L318 WeakPolarHBondContact OH-CD1 3.2Å; Y242-P323 HydrophobicContact CD2-CG 4.42Å; Y242-P323 HydrophobicContact CE2-CG 4.49Å; Y242-P323 WeakPolarHBondContact CE2-O 3.42Å; Y242-L325 HydrophobicContact CD1-CB 4.48Å; Y242-L325 HydrophobicContact CD1-CD1 3.19Å; Y242-L325 HydrophobicContact CD1-CG 4.4Å; Y242-L325 HydrophobicContact CE1-CB 4.06Å; Y242-L325 HydrophobicContact CE1-CD1 3.44Å; Y242-L325 VanDerWaalsContact CE1-CD1 3.44Å; Y242-L325 HydrophobicContact CE1-CG 4.32Å; Y242-L325 HydrophobicContact CG-CD1 3.89Å
243L58.9Low58.2Low6 Ų656.6 Ų56.63%0.03129%0.289CS..Iπ-helixtrans-57.1-47.7178.1-72.3173.3000110.4F197 V239 N240 F247 F248 F357F197-L243 HydrophobicContact CE2-CB 4.36Å; F197-L243 HydrophobicContact CE2-CD1 4.39Å; F197-L243 HydrophobicContact CZ-CB 4.15Å; V239-L243 HydrophobicContact CG1-CD1 3.9Å; V239-L243 HydrophobicContact CG1-CG 4.25Å; V239-L243 WeakPolarHBondContact O-CB 3.37Å; V239-L243 VanDerWaalsContact O-CG 3.29Å; V239-L243 WeakPolarHBondContact O-CG 3.37Å; V239-L243 PolarHBondContact O-N 3.28Å; N240-L243 PolarHBondContact O-N 3.13Å; L243-F247 WeakPolarHBondContact O-CA 3.47Å; L243-F247 WeakPolarHBondContact O-CB 3.47Å; L243-F247 PolarHBondContact O-N 3.35Å; L243-F248 VanDerWaalsContact O-CD2 3.26Å; L243-F248 WeakPolarHBondContact O-CD2 3.3Å; L243-F248 PolarHBondContact O-N 3.37Å; L243-F357 HydrophobicContact CD2-CD1 4.19Å; L243-F357 HydrophobicContact CD2-CE1 4.37Å
244K61.7Low58Low120 Ų12050.9 Ų50.952%0.52226%0.263SS..Iπ-helixtrans-59.4-56.3177.3-168.5175.4179.6-179.90112N240 Y242 F248 D249N240-K244 VanDerWaalsContact O-CB 3.3Å; N240-K244 WeakPolarHBondContact O-CB 2.84Å; N240-K244 PolarHBondContact O-N 3.01Å; Y242-K244 VanDerWaalsContact C-N 3.32Å; Y242-K244 PolarHBondContact O-N 3.49Å; K244-F248 WeakPolarHBondContact O-CA 3.15Å; K244-F248 WeakPolarHBondContact O-CB 3.49Å; K244-F248 PolarHBondContact O-N 3.45Å; K244-F248 VanDerWaalsContact O-N 3.11Å; K244-D249 PolarHBondContact O-N 2.81Å
245K62Low57.5Low131 Ų13151.2 Ų51.257%0.5726%0.263SS*.Iπ-helixtrans-68.7-38.8-174.7-176.2175174.8-177.80113.4S241 Y242S241-K245 WeakPolarHBondContact O-CB 3.34Å; S241-K245 PolarHBondContact O-N 2.75Å; Y242-K245 PolarHBondContact O-N 3.44Å
246F55.8Low57.1Low10 Ų1055 Ų554%0.04428%0.279CS..Iπ-helixtrans-103.3-19.4-169.9-66.8-84.9000114.1Y242 R250 L318 D322 P323Y242-F246 HydrophobicContact CD1-CB 4.49Å; Y242-F246 HydrophobicContact CD2-CB 4.38Å; Y242-F246 AromaticContact CD2-CD2 3.33Å; Y242-F246 HydrophobicContact CD2-CD2 3.33Å; Y242-F246 AromaticContact CD2-CE2 3.81Å; Y242-F246 HydrophobicContact CD2-CE2 3.81Å; Y242-F246 AromaticContact CD2-CG 3.99Å; Y242-F246 HydrophobicContact CD2-CG 3.99Å; Y242-F246 HydrophobicContact CE1-CB 4.26Å; Y242-F246 HydrophobicContact CE2-CB 4.08Å; Y242-F246 HydrophobicContact CE2-CD1 4.43Å; Y242-F246 AromaticContact CE2-CD2 3.58Å; Y242-F246 HydrophobicContact CE2-CD2 3.58Å; Y242-F246 HydrophobicContact CE2-CE2 4.13Å; Y242-F246 AromaticContact CE2-CG 3.77Å; Y242-F246 HydrophobicContact CE2-CG 3.77Å; Y242-F246 AromaticContact CG-CD2 3.93Å; Y242-F246 HydrophobicContact CG-CD2 3.93Å; Y242-F246 WeakPolarHBondContact O-CA 3.43Å; Y242-F246 VanDerWaalsContact O-CB 3.27Å; Y242-F246 WeakPolarHBondContact O-CB 2.93Å; Y242-F246 WeakPolarHBondContact O-CD2 3.28Å; Y242-F246 PolarHBondContact O-N 2.88Å; F246-R250 WeakPolarHBondContact O-CG 3.11Å; F246-L318 HydrophobicContact CD1-CD2 4.04Å; F246-D322 HydrophobicContact CE1-CB 4.02Å; F246-P323 HydrophobicContact CE1-CG 4.21Å; F246-P323 HydrophobicContact CE2-CG 3.48Å; F246-P323 VanDerWaalsContact CE2-CG 3.48Å; F246-P323 HydrophobicContact CZ-CG 3.32Å
247F53.5Low57Low7 Ų756.2 Ų56.23%0.03129%0.287CS..Iπ-helixtrans-104.2-45.2173.2-159.6-87.3000112.3L193 L243 K255 I258 F314 F357L193-F247 HydrophobicContact CD2-CE1 4.35Å; L243-F247 WeakPolarHBondContact O-CA 3.47Å; L243-F247 WeakPolarHBondContact O-CB 3.47Å; L243-F247 PolarHBondContact O-N 3.35Å; F247-K255 WeakPolarHBondContact O-CE 3.02Å; F247-K255 WeakPolarHBondContact O-CG 3.24Å; F247-I258 HydrophobicContact CD2-CD1 4.48Å; F247-I258 HydrophobicContact CD2-CG2 4.06Å; F247-I258 HydrophobicContact CE2-CB 4.46Å; F247-I258 HydrophobicContact CE2-CG2 3.76Å; F247-F314 HydrophobicContact CD2-CZ 4.32Å; F247-F357 HydrophobicContact CD1-CE2 4.12Å; F247-F357 AromaticContact CD1-CZ 3.64Å; F247-F357 HydrophobicContact CD1-CZ 3.64Å; F247-F357 HydrophobicContact CD2-CE1 4.2Å; F247-F357 AromaticContact CD2-CZ 3.86Å; F247-F357 HydrophobicContact CD2-CZ 3.86Å; F247-F357 HydrophobicContact CE1-CE2 4.06Å; F247-F357 AromaticContact CE1-CZ 3.51Å; F247-F357 HydrophobicContact CE1-CZ 3.51Å; F247-F357 HydrophobicContact CE2-CE1 4.11Å; F247-F357 AromaticContact CE2-CZ 3.72Å; F247-F357 HydrophobicContact CE2-CZ 3.72Å; F247-F357 HydrophobicContact CG-CE1 4.48Å; F247-F357 AromaticContact CG-CZ 3.82Å; F247-F357 HydrophobicContact CG-CZ 3.82Å; F247-F357 HydrophobicContact CZ-CE1 4.34Å; F247-F357 HydrophobicContact CZ-CE2 4.48Å; F247-F357 AromaticContact CZ-CZ 3.55Å; F247-F357 HydrophobicContact CZ-CZ 3.55Å
248F53.9Low56.5Low24 Ų2451.1 Ų51.111%0.10526%0.264CS..Iπ-helixtrans-90-42.1-173.1-65.5-80.7000113.8N194 F197 L243 K244 K255 F357N194-F248 WeakPolarHBondContact OD1-CD1 3.47Å; F197-F248 HydrophobicContact CB-CE1 3.52Å; F197-F248 HydrophobicContact CB-CE2 4.24Å; F197-F248 HydrophobicContact CB-CZ 3.34Å; F197-F248 AromaticContact CD1-CD1 3.85Å; F197-F248 HydrophobicContact CD1-CD1 3.85Å; F197-F248 AromaticContact CD1-CD2 3.57Å; F197-F248 HydrophobicContact CD1-CD2 3.57Å; F197-F248 AromaticContact CD1-CE1 3.46Å; F197-F248 HydrophobicContact CD1-CE1 3.46Å; F197-F248 VanDerWaalsContact CD1-CE1 3.46Å; F197-F248 AromaticContact CD1-CE2 3.2Å; F197-F248 HydrophobicContact CD1-CE2 3.2Å; F197-F248 AromaticContact CD1-CG 3.92Å; F197-F248 HydrophobicContact CD1-CG 3.92Å; F197-F248 AromaticContact CD1-CZ 3.14Å; F197-F248 HydrophobicContact CD1-CZ 3.14Å; F197-F248 HydrophobicContact CD2-CD2 4.47Å; F197-F248 HydrophobicContact CD2-CE1 4.26Å; F197-F248 AromaticContact CD2-CE2 3.39Å; F197-F248 HydrophobicContact CD2-CE2 3.39Å; F197-F248 AromaticContact CD2-CZ 3.26Å; F197-F248 HydrophobicContact CD2-CZ 3.26Å; F197-F248 HydrophobicContact CE1-CD1 4.32Å; F197-F248 AromaticContact CE1-CD2 3.23Å; F197-F248 HydrophobicContact CE1-CD2 3.23Å; F197-F248 HydrophobicContact CE1-CE1 4.19Å; F197-F248 AromaticContact CE1-CE2 3.1Å; F197-F248 HydrophobicContact CE1-CE2 3.1Å; F197-F248 AromaticContact CE1-CG 3.9Å; F197-F248 HydrophobicContact CE1-CG 3.9Å; F197-F248 AromaticContact CE1-CZ 3.63Å; F197-F248 HydrophobicContact CE1-CZ 3.63Å; F197-F248 HydrophobicContact CE2-CD2 4.23Å; F197-F248 AromaticContact CE2-CE2 3.32Å; F197-F248 HydrophobicContact CE2-CE2 3.32Å; F197-F248 AromaticContact CE2-CZ 3.75Å; F197-F248 HydrophobicContact CE2-CZ 3.75Å; F197-F248 HydrophobicContact CG-CD1 4.35Å; F197-F248 HydrophobicContact CG-CD2 4.18Å; F197-F248 AromaticContact CG-CE1 3.5Å; F197-F248 HydrophobicContact CG-CE1 3.5Å; F197-F248 VanDerWaalsContact CG-CE1 3.5Å; F197-F248 AromaticContact CG-CE2 3.34Å; F197-F248 HydrophobicContact CG-CE2 3.34Å; F197-F248 AromaticContact CG-CZ 2.92Å; F197-F248 HydrophobicContact CG-CZ 2.92Å; F197-F248 AromaticContact CZ-CD2 3.62Å; F197-F248 HydrophobicContact CZ-CD2 3.62Å; F197-F248 AromaticContact CZ-CE2 3.17Å; F197-F248 HydrophobicContact CZ-CE2 3.17Å; F197-F248 AromaticContact CZ-CZ 3.92Å; F197-F248 HydrophobicContact CZ-CZ 3.92Å; L243-F248 VanDerWaalsContact O-CD2 3.26Å; L243-F248 WeakPolarHBondContact O-CD2 3.3Å; L243-F248 PolarHBondContact O-N 3.37Å; K244-F248 WeakPolarHBondContact O-CA 3.15Å; K244-F248 WeakPolarHBondContact O-CB 3.49Å; K244-F248 PolarHBondContact O-N 3.45Å; K244-F248 VanDerWaalsContact O-N 3.11Å; F248-K255 WeakPolarHBondContact O-CE 3.13Å; F248-K255 PolarHBondContact O-NZ 3.35Å; F248-F357 HydrophobicContact CE2-CE2 4.25Å; F248-F357 AromaticContact CZ-CE2 3.84Å; F248-F357 HydrophobicContact CZ-CE2 3.84Å
249D58.5Low56.1Low113 Ų11352.9 Ų52.960%0.60427%0.267SS*.SBendtrans-90.21.6-173.1-60.4-22.7000113.9K244K244-D249 PolarHBondContact O-N 2.81Å
250R61.8Low55.6Low66 Ų6660.8 Ų60.825%0.24930%0.297CS..SBendtrans-80.7158.5-177.7-91.2-75.9-162.3-163.7-2.4113.4F246 I254 K255 D322F246-R250 WeakPolarHBondContact O-CG 3.11Å; R250-I254 HydrophobicContact CB-CB 4.33Å; R250-I254 HydrophobicContact CB-CG2 4.29Å; R250-I254 HydrophobicContact CG-CB 4.48Å; R250-I254 HydrophobicContact CG-CG2 4.07Å; R250-K255 HydrophobicContact CB-CG 4.41Å; R250-K255 VanDerWaalsContact O-CE 3.29Å; R250-K255 WeakPolarHBondContact O-CE 3.2Å; R250-D322 IonicContact CZ-OD2 2.69Å; R250-D322 IonicContact NH2-OD1 3.07Å; R250-D322 PolarHBondContact NH2-OD1 2.78Å; R250-D322 IonicContact NH2-OD2 2.79Å; R250-D322 PolarHBondContact NH2-OD2 3.3Å
251Q56.3Low55.2Low138 Ų13861 Ų6165%0.64530%0.298SS*.  trans-56.1142.8170.1-70.6-163.32.700111.1S253 I254 K255Q251-S253 PolarHBondContact O-N 2.87Å; Q251-I254 PolarHBondContact O-N 3.31Å; Q251-K255 PolarHBondContact O-N 2.88Å
252P50.7Low54.6Low93 Ų9359.5 Ų59.560%0.60429%0.287SS*.Hα-helixtrans-49.8-35.1-178.8-30.135.4000114.6I254 K255 Q256P252-I254 PolarHBondContact O-N 2.8Å; P252-K255 WeakPolarHBondContact O-CB 3.49Å; P252-K255 PolarHBondContact O-N 3.11Å; P252-Q256 VanDerWaalsContact O-CB 3.31Å; P252-Q256 WeakPolarHBondContact O-CB 3.24Å; P252-Q256 PolarHBondContact O-N 3.5Å
253S47.6Very low53.8Low70 Ų7063 Ų6349%0.4930%0.301SS..Hα-helixtrans-62.9-37.6178.654.90000113.9Q251 Q256 C257Q251-S253 PolarHBondContact O-N 2.87Å; S253-Q256 PolarHBondContact O-N 2.75Å; S253-C257 PolarHBondContact O-N 2.82Å
254I52.7Low53.1Low31 Ų3165.8 Ų65.816%0.15932%0.315CS..Hα-helixtrans-76.6-39.7178.5-67.8170.4000109.9R250 Q251 P252 Q256 C257 I258R250-I254 HydrophobicContact CB-CB 4.33Å; R250-I254 HydrophobicContact CB-CG2 4.29Å; R250-I254 HydrophobicContact CG-CB 4.48Å; R250-I254 HydrophobicContact CG-CG2 4.07Å; Q251-I254 PolarHBondContact O-N 3.31Å; P252-I254 PolarHBondContact O-N 2.8Å; I254-Q256 VanDerWaalsContact C-N 3.27Å; I254-Q256 PolarHBondContact O-N 3.2Å; I254-C257 WeakPolarHBondContact O-CB 3.3Å; I254-C257 PolarHBondContact O-N 3.11Å; I254-I258 HydrophobicContact CG2-CD1 4.05Å; I254-I258 WeakPolarHBondContact O-CG1 3.43Å; I254-I258 PolarHBondContact O-N 3.46Å
255K52.7Low52.3Low21 Ų2161 Ų619%0.09130%0.297CS..Hα-helixtrans-55.8-46.1169.8-66.5179.6173.1176.90110.5E190 F247 F248 R250 Q251 P252 I258 R259E190-K255 IonicContact OE1-NZ 3.3Å; E190-K255 PolarHBondContact OE1-NZ 2.94Å; E190-K255 VanDerWaalsContact OE1-NZ 3.08Å; F247-K255 WeakPolarHBondContact O-CE 3.02Å; F247-K255 WeakPolarHBondContact O-CG 3.24Å; F248-K255 WeakPolarHBondContact O-CE 3.13Å; F248-K255 PolarHBondContact O-NZ 3.35Å; R250-K255 HydrophobicContact CB-CG 4.41Å; R250-K255 VanDerWaalsContact O-CE 3.29Å; R250-K255 WeakPolarHBondContact O-CE 3.2Å; Q251-K255 PolarHBondContact O-N 2.88Å; P252-K255 WeakPolarHBondContact O-CB 3.49Å; P252-K255 PolarHBondContact O-N 3.11Å; K255-I258 PolarHBondContact O-N 3.27Å; K255-R259 VanDerWaalsContact O-CB 3.31Å; K255-R259 WeakPolarHBondContact O-CB 3.29Å; K255-R259 WeakPolarHBondContact O-CG 3.41Å; K255-R259 PolarHBondContact O-N 3.45Å
256Q49.2Very low51.4Low93 Ų9357.5 Ų57.544%0.43528%0.282SS..Hα-helixtrans-67-36.1178.6-159.2174.927.600112.1E186 P252 S253 I254 R260E186-Q256 PolarHBondContact OE1-NE2 3.23Å; E186-Q256 VanDerWaalsContact OE1-NE2 3.14Å; P252-Q256 VanDerWaalsContact O-CB 3.31Å; P252-Q256 WeakPolarHBondContact O-CB 3.24Å; P252-Q256 PolarHBondContact O-N 3.5Å; S253-Q256 PolarHBondContact O-N 2.75Å; I254-Q256 VanDerWaalsContact C-N 3.27Å; I254-Q256 PolarHBondContact O-N 3.2Å; Q256-R260 WeakPolarHBondContact O-CB 3.3Å; Q256-R260 PolarHBondContact O-N 2.97Å
257C52.6Low50.5Low41 Ų4159.1 Ų59.128%0.27729%0.293SS..Hα-helixtrans-59.8-54.6170.2-178.50000111.3S253 I254 R259 R260 N261 C317S253-C257 PolarHBondContact O-N 2.82Å; I254-C257 WeakPolarHBondContact O-CB 3.3Å; I254-C257 PolarHBondContact O-N 3.11Å; C257-R259 VanDerWaalsContact C-N 3.27Å; C257-R259 PolarHBondContact O-N 3.33Å; C257-R260 CarbonylContact O-C 3.52Å; C257-R260 PolarHBondContact O-N 3.36Å; C257-N261 PolarHBondContact O-N 2.81Å; C257-C317 HydrophobicContact CB-CB 3.94Å; C257-C317 WeakPolarHBondContact CB-SG 3.25Å; C257-C317 PolarHBondContact O-SG 3.31Å; C257-C317 WeakPolarHBondContact SG-CA 3.13Å; C257-C317 WeakPolarHBondContact SG-CB 3.46Å; C257-C317 CovalentContact SG-SG 2.07Å; C257-C317 PolarHBondContact SG-SG 3.12Å
258I52.6Low49.6Very low0 Ų062.5 Ų62.50%031%0.312CS..Hα-helixtrans-60.1-43.9-176.8-64.8166.5000109.3F247 I254 K255 N261 L262 F314 C317F247-I258 HydrophobicContact CD2-CD1 4.48Å; F247-I258 HydrophobicContact CD2-CG2 4.06Å; F247-I258 HydrophobicContact CE2-CB 4.46Å; F247-I258 HydrophobicContact CE2-CG2 3.76Å; I254-I258 HydrophobicContact CG2-CD1 4.05Å; I254-I258 WeakPolarHBondContact O-CG1 3.43Å; I254-I258 PolarHBondContact O-N 3.46Å; K255-I258 PolarHBondContact O-N 3.27Å; I258-N261 PolarHBondContact O-N 2.99Å; I258-L262 HydrophobicContact CG2-CD1 3.86Å; I258-L262 HydrophobicContact CG2-CG 4.33Å; I258-L262 VanDerWaalsContact O-CB 3.28Å; I258-L262 WeakPolarHBondContact O-CB 3.16Å; I258-L262 VanDerWaalsContact O-CG 3.26Å; I258-L262 WeakPolarHBondContact O-CG 3.36Å; I258-L262 PolarHBondContact O-N 3.14Å; I258-F314 HydrophobicContact CD1-CD1 4.26Å; I258-F314 HydrophobicContact CD1-CE1 4.07Å; I258-F314 HydrophobicContact CG2-CE1 4.22Å; I258-F314 HydrophobicContact CG2-CE2 4.46Å; I258-F314 HydrophobicContact CG2-CZ 4.12Å; I258-C317 HydrophobicContact CG1-CB 3.62Å; I258-C317 PolarHBondContact N-SG 2.92Å
259R51.8Low48.8Very low54 Ų5464.4 Ų64.420%0.20432%0.319CS..Hα-helixtrans-59.6-46.1174-73171.8-1751675.1111.6E190 K255 C257 Y263E190-R259 VanDerWaalsContact CD-NH2 3.31Å; E190-R259 IonicContact OE1-NH2 2.85Å; E190-R259 IonicContact OE2-CZ 3.83Å; E190-R259 IonicContact OE2-NH1 2.81Å; E190-R259 PolarHBondContact OE2-NH1 3.49Å; E190-R259 IonicContact OE2-NH2 3.24Å; E190-R259 PolarHBondContact OE2-NH2 3.19Å; E190-R259 VanDerWaalsContact OE2-NH2 3.07Å; K255-R259 VanDerWaalsContact O-CB 3.31Å; K255-R259 WeakPolarHBondContact O-CB 3.29Å; K255-R259 WeakPolarHBondContact O-CG 3.41Å; K255-R259 PolarHBondContact O-N 3.45Å; C257-R259 VanDerWaalsContact C-N 3.27Å; C257-R259 PolarHBondContact O-N 3.33Å; R259-Y263 WeakPolarHBondContact O-CA 3.4Å; R259-Y263 WeakPolarHBondContact O-CB 3.38Å; R259-Y263 PolarHBondContact O-N 2.93Å
260R49.9Very low47.7Very low168 Ų16863.2 Ų63.263%0.63431%0.312SS*.Hα-helixtrans-67.8-36.3-179.8-170.9173.3-177.3-178.5-0.2112.1Q256 C257 Y263 N264Q256-R260 WeakPolarHBondContact O-CB 3.3Å; Q256-R260 PolarHBondContact O-N 2.97Å; C257-R260 CarbonylContact O-C 3.52Å; C257-R260 PolarHBondContact O-N 3.36Å; R260-Y263 CarbonylContact O-C 3.6Å; R260-Y263 WeakPolarHBondContact O-CB 3.46Å; R260-Y263 PolarHBondContact O-N 3.44Å; R260-N264 VanDerWaalsContact O-CB 3.26Å; R260-N264 WeakPolarHBondContact O-CB 2.88Å; R260-N264 PolarHBondContact O-N 2.85Å; R260-N264 PolarHBondContact O-ND2 2.8Å; R260-N264 VanDerWaalsContact O-ND2 3.12Å
261N51.9Low46.3Very low42 Ų4267.7 Ų67.723%0.22533%0.328CS..Hα-helixtrans-80.5-32.1177.9-76.3-15.2000112.4C257 I258 N264 S265 T313 S316 C317C257-N261 PolarHBondContact O-N 2.81Å; I258-N261 PolarHBondContact O-N 2.99Å; N261-N264 PolarHBondContact O-N 2.84Å; N261-S265 VanDerWaalsContact O-CB 3.24Å; N261-S265 WeakPolarHBondContact O-CB 3.39Å; N261-S265 PolarHBondContact O-N 3.03Å; N261-S265 PolarHBondContact O-OG 3.1Å; N261-T313 HydrophobicContact CB-CG2 3.87Å; N261-S316 PolarHBondContact ND2-OG 2.91Å; N261-C317 PolarHBondContact ND2-SG 3.11Å
262L50.6Low45.2Very low15 Ų1562.9 Ų62.98%0.07931%0.31CS..Hα-helixtrans-59.8-51162.6-75.2168.8000108.8I258 N264 S265 F266 T313 F358I258-L262 HydrophobicContact CG2-CD1 3.86Å; I258-L262 HydrophobicContact CG2-CG 4.33Å; I258-L262 VanDerWaalsContact O-CB 3.28Å; I258-L262 WeakPolarHBondContact O-CB 3.16Å; I258-L262 VanDerWaalsContact O-CG 3.26Å; I258-L262 WeakPolarHBondContact O-CG 3.36Å; I258-L262 PolarHBondContact O-N 3.14Å; L262-N264 PolarHBondContact O-N 2.72Å; L262-S265 VanDerWaalsContact CA-OG 3.28Å; L262-S265 WeakPolarHBondContact CA-OG 3.39Å; L262-S265 PolarHBondContact O-N 3.47Å; L262-S265 PolarHBondContact O-OG 3.42Å; L262-F266 HydrophobicContact CB-CD2 4.33Å; L262-F266 HydrophobicContact CB-CE2 4.18Å; L262-F266 HydrophobicContact CD2-CE2 3.99Å; L262-F266 WeakPolarHBondContact O-CD2 3.35Å; L262-F266 PolarHBondContact O-N 3.4Å; L262-T313 HydrophobicContact CB-CG2 4.28Å; L262-T313 HydrophobicContact CD2-CG2 3.72Å; L262-T313 HydrophobicContact CG-CG2 3.63Å; L262-T313 VanDerWaalsContact N-CG2 3.32Å; L262-F358 HydrophobicContact CD1-CD1 4.33Å; L262-F358 HydrophobicContact CD1-CE1 4.2Å; L262-F358 HydrophobicContact CD2-CD1 3.91Å; L262-F358 HydrophobicContact CD2-CE1 3.92Å
263Y45.1Very low44.3Very low80 Ų8061.8 Ų61.831%0.31430%0.304SS..Hα-helixtrans-62-20.7175.6178.3-89.8000113.9M180 R259 R260 P267M180-Y263 HydrophobicContact CE-CE1 4.27Å; M180-Y263 HydrophobicContact CE-CE2 4.43Å; R259-Y263 WeakPolarHBondContact O-CA 3.4Å; R259-Y263 WeakPolarHBondContact O-CB 3.38Å; R259-Y263 PolarHBondContact O-N 2.93Å; R260-Y263 CarbonylContact O-C 3.6Å; R260-Y263 WeakPolarHBondContact O-CB 3.46Å; R260-Y263 PolarHBondContact O-N 3.44Å; Y263-P267 VanDerWaalsContact C-CD 3.45Å; Y263-P267 WeakPolarHBondContact O-CD 3.29Å; Y263-P267 WeakPolarHBondContact O-CG 3.49Å
264N44.2Very low43.8Very low64 Ų6462.2 Ų62.234%0.34230%0.295SS..Hα-helixtrans-95.8-30175.9-72.7-28000111.5R260 N261 L262 N268R260-N264 VanDerWaalsContact O-CB 3.26Å; R260-N264 WeakPolarHBondContact O-CB 2.88Å; R260-N264 PolarHBondContact O-N 2.85Å; R260-N264 PolarHBondContact O-ND2 2.8Å; R260-N264 VanDerWaalsContact O-ND2 3.12Å; N261-N264 PolarHBondContact O-N 2.84Å; L262-N264 PolarHBondContact O-N 2.72Å; N264-N268 WeakPolarHBondContact O-CB 3.29Å; N264-N268 PolarHBondContact O-N 3.31Å; N264-N268 VanDerWaalsContact O-N 3.11Å; N264-N268 PolarHBondContact O-ND2 3.37Å; N264-N268 VanDerWaalsContact O-ND2 3.13Å
265S45Very low43Very low19 Ų1964.5 Ų64.513%0.13330%0.304CS..Hα-helixtrans-73-36.1175.849.30000111.6N261 L262 N268 Y269 T313N261-S265 VanDerWaalsContact O-CB 3.24Å; N261-S265 WeakPolarHBondContact O-CB 3.39Å; N261-S265 PolarHBondContact O-N 3.03Å; N261-S265 PolarHBondContact O-OG 3.1Å; L262-S265 VanDerWaalsContact CA-OG 3.28Å; L262-S265 WeakPolarHBondContact CA-OG 3.39Å; L262-S265 PolarHBondContact O-N 3.47Å; L262-S265 PolarHBondContact O-OG 3.42Å; S265-N268 WeakPolarHBondContact O-CB 3.34Å; S265-N268 PolarHBondContact O-N 2.97Å; S265-Y269 PolarHBondContact O-N 3.48Å; S265-T313 PolarHBondContact OG-OG1 3.49Å
266F43.1Very low42.1Very low58 Ų5872.7 Ų72.725%0.25433%0.334SS..Hα-helixtrans-66.5-44.9176.1-76.1-64.7000113.4L262 N268 Y269 I270 I362L262-F266 HydrophobicContact CB-CD2 4.33Å; L262-F266 HydrophobicContact CB-CE2 4.18Å; L262-F266 HydrophobicContact CD2-CE2 3.99Å; L262-F266 WeakPolarHBondContact O-CD2 3.35Å; L262-F266 PolarHBondContact O-N 3.4Å; F266-N268 VanDerWaalsContact C-N 3.3Å; F266-N268 PolarHBondContact O-N 3.45Å; F266-Y269 VanDerWaalsContact O-CB 3.23Å; F266-Y269 WeakPolarHBondContact O-CB 3.33Å; F266-Y269 PolarHBondContact O-N 3.19Å; F266-I270 WeakPolarHBondContact O-CB 3.36Å; F266-I270 VanDerWaalsContact O-CG1 3.26Å; F266-I270 WeakPolarHBondContact O-CG1 3.08Å; F266-I270 PolarHBondContact O-N 3.17Å; F266-I362 HydrophobicContact CD1-CD1 4.41Å; F266-I362 HydrophobicContact CE1-CD1 3.59Å; F266-I362 HydrophobicContact CE1-CG1 4.11Å; F266-I362 HydrophobicContact CE2-CD1 4.48Å; F266-I362 HydrophobicContact CE2-CG1 4.28Å; F266-I362 HydrophobicContact CZ-CD1 3.65Å; F266-I362 HydrophobicContact CZ-CG1 3.93Å
267P37Very low41.6Very low44 Ų4474 Ų7429%0.28634%0.34SS..Hα-helixtrans-66.8-21.4167.5-2738.4000114.5Y263 R271Y263-P267 VanDerWaalsContact C-CD 3.45Å; Y263-P267 WeakPolarHBondContact O-CD 3.29Å; Y263-P267 WeakPolarHBondContact O-CG 3.49Å; P267-R271 WeakPolarHBondContact O-CA 3.26Å; P267-R271 WeakPolarHBondContact O-CB 3.13Å; P267-R271 WeakPolarHBondContact O-CD 3.42Å; P267-R271 WeakPolarHBondContact O-CG 3.45Å; P267-R271 PolarHBondContact O-N 2.9Å
268N35.5Very low40.8Very low78 Ų7877.9 Ų77.942%0.41736%0.357SS..Hα-helixtrans-73.8-34.1169.8-77.8-24.7000111.6N264 S265 F266 R271 S272N264-N268 WeakPolarHBondContact O-CB 3.29Å; N264-N268 PolarHBondContact O-N 3.31Å; N264-N268 VanDerWaalsContact O-N 3.11Å; N264-N268 PolarHBondContact O-ND2 3.37Å; N264-N268 VanDerWaalsContact O-ND2 3.13Å; S265-N268 WeakPolarHBondContact O-CB 3.34Å; S265-N268 PolarHBondContact O-N 2.97Å; F266-N268 VanDerWaalsContact C-N 3.3Å; F266-N268 PolarHBondContact O-N 3.45Å; N268-R271 WeakPolarHBondContact O-CB 3.35Å; N268-R271 PolarHBondContact O-N 2.68Å; N268-R271 WeakPolarHBondContact OD1-CD 3.37Å; N268-R271 PolarHBondContact OD1-NH1 3.1Å; N268-S272 PolarHBondContact O-N 2.89Å
269Y37.1Very low40.4Very low64 Ų6485.7 Ų85.725%0.25139%0.393SS..Hα-helixtrans-68.8-44.8171-125.7-113.4000112.4S265 F266 R271 S272 L288 V305 T309S265-Y269 PolarHBondContact O-N 3.48Å; F266-Y269 VanDerWaalsContact O-CB 3.23Å; F266-Y269 WeakPolarHBondContact O-CB 3.33Å; F266-Y269 PolarHBondContact O-N 3.19Å; Y269-R271 VanDerWaalsContact C-N 3.33Å; Y269-S272 PolarHBondContact O-N 2.81Å; Y269-L288 HydrophobicContact CD1-CD1 3.08Å; Y269-L288 HydrophobicContact CD1-CD2 3.97Å; Y269-L288 HydrophobicContact CD1-CG 4.05Å; Y269-L288 HydrophobicContact CD2-CD1 4.25Å; Y269-L288 HydrophobicContact CD2-CD2 3.94Å; Y269-L288 HydrophobicContact CE1-CB 4.19Å; Y269-L288 HydrophobicContact CE1-CD1 3.17Å; Y269-L288 HydrophobicContact CE1-CD2 3.35Å; Y269-L288 HydrophobicContact CE1-CG 3.67Å; Y269-L288 HydrophobicContact CE2-CD1 4.33Å; Y269-L288 HydrophobicContact CE2-CD2 3.32Å; Y269-L288 HydrophobicContact CE2-CG 4.38Å; Y269-L288 HydrophobicContact CG-CD1 3.69Å; Y269-L288 HydrophobicContact CG-CD2 4.24Å; Y269-L288 VanDerWaalsContact OH-CD2 3.28Å; Y269-L288 WeakPolarHBondContact OH-CD2 3.26Å; Y269-V305 HydrophobicContact CE2-CG1 4.38Å; Y269-V305 WeakPolarHBondContact OH-CG1 3.47Å; Y269-T309 HydrophobicContact CE2-CG2 4.44Å
270I34Very low40Very low89 Ų8987.6 Ų87.646%0.45641%0.408SS..Hα-helixtrans-67.1-36.3171.6-65.8167.2000109.1F266 S272 C273 Y274F266-I270 WeakPolarHBondContact O-CB 3.36Å; F266-I270 VanDerWaalsContact O-CG1 3.26Å; F266-I270 WeakPolarHBondContact O-CG1 3.08Å; F266-I270 PolarHBondContact O-N 3.17Å; I270-S272 VanDerWaalsContact C-N 3.28Å; I270-S272 PolarHBondContact O-N 2.83Å; I270-C273 CarbonylContact O-C 3.59Å; I270-C273 VanDerWaalsContact O-CA 3.26Å; I270-C273 WeakPolarHBondContact O-CA 3.23Å; I270-C273 WeakPolarHBondContact O-CB 3.45Å; I270-C273 PolarHBondContact O-N 3.34Å; I270-Y274 HydrophobicContact CG2-CD2 3.53Å; I270-Y274 HydrophobicContact CG2-CE2 3.23Å; I270-Y274 WeakPolarHBondContact O-CD2 3.31Å; I270-Y274 PolarHBondContact O-N 3.36Å
271R33.9Very low39.7Very low160 Ų16085.5 Ų85.560%0.60442%0.416SS*.Hα-helixtrans-59.4-33.5175.4-94166.2178.6165.70.1113.2P267 N268 Y269 C273 Y274 K275P267-R271 WeakPolarHBondContact O-CA 3.26Å; P267-R271 WeakPolarHBondContact O-CB 3.13Å; P267-R271 WeakPolarHBondContact O-CD 3.42Å; P267-R271 WeakPolarHBondContact O-CG 3.45Å; P267-R271 PolarHBondContact O-N 2.9Å; N268-R271 WeakPolarHBondContact O-CB 3.35Å; N268-R271 PolarHBondContact O-N 2.68Å; N268-R271 WeakPolarHBondContact OD1-CD 3.37Å; N268-R271 PolarHBondContact OD1-NH1 3.1Å; Y269-R271 VanDerWaalsContact C-N 3.33Å; R271-C273 VanDerWaalsContact C-N 3.29Å; R271-Y274 CarbonylContact O-C 3.36Å; R271-Y274 WeakPolarHBondContact O-CA 3.32Å; R271-Y274 WeakPolarHBondContact O-CB 3.42Å; R271-Y274 PolarHBondContact O-N 3.38Å; R271-Y274 VanDerWaalsContact O-N 3.08Å; R271-K275 PolarHBondContact O-N 3.27Å
272S32.2Very low39.2Very low36 Ų3692.5 Ų92.525%0.25244%0.444SS..Hα-helixtrans-67-30.3171.6-720000112.5N268 Y269 I270 P285N268-S272 PolarHBondContact O-N 2.89Å; Y269-S272 PolarHBondContact O-N 2.81Å; I270-S272 VanDerWaalsContact C-N 3.28Å; I270-S272 PolarHBondContact O-N 2.83Å; S272-P285 WeakPolarHBondContact OG-CB 3.26Å
273C32.3Very low38.5Very low71 Ų7193.4 Ų93.448%0.4845%0.454SS..Hα-helixtrans-71.8-30.2167.1-112.60000112.6I270 R271 R276I270-C273 CarbonylContact O-C 3.59Å; I270-C273 VanDerWaalsContact O-CA 3.26Å; I270-C273 WeakPolarHBondContact O-CA 3.23Å; I270-C273 WeakPolarHBondContact O-CB 3.45Å; I270-C273 PolarHBondContact O-N 3.34Å; R271-C273 VanDerWaalsContact C-N 3.29Å; C273-R276 PolarHBondContact SG-NH2 2.79Å
274Y35.9Very low38Very low79 Ų7998.3 Ų98.331%0.3148%0.48SS..Hα-helixtrans-83.7-16.7176.8-80.1-114.4000114.2F169 I270 R271 R276 E277 I278F169-Y274 AromaticContact CD1-CE1 3.85Å; F169-Y274 HydrophobicContact CD1-CE1 3.85Å; F169-Y274 AromaticContact CD2-CE1 3.75Å; F169-Y274 HydrophobicContact CD2-CE1 3.75Å; F169-Y274 AromaticContact CD2-CZ 3.9Å; F169-Y274 VanDerWaalsContact CD2-OH 3.26Å; F169-Y274 WeakPolarHBondContact CD2-OH 3.27Å; F169-Y274 HydrophobicContact CE1-CD1 4.04Å; F169-Y274 AromaticContact CE1-CE1 3.45Å; F169-Y274 HydrophobicContact CE1-CE1 3.45Å; F169-Y274 VanDerWaalsContact CE1-CE1 3.45Å; F169-Y274 AromaticContact CE2-CE1 3.41Å; F169-Y274 HydrophobicContact CE2-CE1 3.41Å; F169-Y274 VanDerWaalsContact CE2-CE1 3.41Å; F169-Y274 HydrophobicContact CE2-CE2 4.48Å; F169-Y274 AromaticContact CE2-CZ 3.32Å; F169-Y274 WeakPolarHBondContact CE2-OH 3.45Å; F169-Y274 AromaticContact CG-CE1 3.98Å; F169-Y274 HydrophobicContact CG-CE1 3.98Å; F169-Y274 HydrophobicContact CZ-CD1 4.07Å; F169-Y274 AromaticContact CZ-CE1 3.22Å; F169-Y274 HydrophobicContact CZ-CE1 3.22Å; F169-Y274 HydrophobicContact CZ-CE2 4.46Å; F169-Y274 AromaticContact CZ-CZ 3.46Å; F169-Y274 VanDerWaalsContact CZ-CZ 3.46Å; F169-Y274 WeakPolarHBondContact CZ-OH 3.18Å; I270-Y274 HydrophobicContact CG2-CD2 3.53Å; I270-Y274 HydrophobicContact CG2-CE2 3.23Å; I270-Y274 WeakPolarHBondContact O-CD2 3.31Å; I270-Y274 PolarHBondContact O-N 3.36Å; R271-Y274 CarbonylContact O-C 3.36Å; R271-Y274 WeakPolarHBondContact O-CA 3.32Å; R271-Y274 WeakPolarHBondContact O-CB 3.42Å; R271-Y274 PolarHBondContact O-N 3.38Å; R271-Y274 VanDerWaalsContact O-N 3.08Å; Y274-R276 PolarHBondContact O-N 2.87Å; Y274-R276 VanDerWaalsContact O-N 3.1Å; Y274-E277 PolarHBondContact O-N 2.84Å; Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 2.63Å
275K35.9Very low37.5Very low79 Ų7997.7 Ų97.734%0.34348%0.479SS..THydrogen-bonded Turntrans-55.2-25.3169.6-89-179.9169.7-175.70112.1R271 A283 E284 P285R271-K275 PolarHBondContact O-N 3.27Å; K275-A283 HydrophobicContact CD-CB 4.29Å; K275-E284 PolarHBondContact NZ-O 3.49Å; K275-P285 HydrophobicContact CB-CG 4.45Å; K275-P285 HydrophobicContact CD-CB 3.91Å; K275-P285 HydrophobicContact CD-CG 3.76Å
276R34.3Very low36.9Very low192 Ų192105.3 Ų105.373%0.72551%0.513SS*.THydrogen-bonded Turntrans-70.6-21.8172.2-108-176.8-53.1-159.90.3115C273 Y274C273-R276 PolarHBondContact SG-NH2 2.79Å; Y274-R276 PolarHBondContact O-N 2.87Å; Y274-R276 VanDerWaalsContact O-N 3.1Å
277E37.9Very low36.5Very low120 Ų120109.8 Ų109.856%0.56154%0.538SS*.THydrogen-bonded Turntrans-94.5-11.8179.2-71.8-89.1144.100112.3Y274Y274-E277 PolarHBondContact O-N 2.84Å
278I36.7Very low36.3Very low123 Ų123110.5 Ų110.563%0.63154%0.539SS*.THydrogen-bonded Turntrans-102.32.5-168.5-63.7170.8000113.6Y274 D280Y274-I278 WeakPolarHBondContact O-CG1 3.47Å; Y274-I278 PolarHBondContact O-N 2.63Å; I278-D280 VanDerWaalsContact C-N 3.26Å; I278-D280 PolarHBondContact O-N 3.48Å; I278-D280 VanDerWaalsContact O-N 3.12Å
279H44.9Very low36.2Very low165 Ų165108.5 Ų108.576%0.76453%0.53SS*.THydrogen-bonded Turntrans4938.2175.2-68.1-43.8000115.3P281H279-P281 VanDerWaalsContact O-CD 3.31Å; H279-P281 WeakPolarHBondContact O-CD 3.09Å
280D43.4Very low36.1Very low94 Ų94110.6 Ų110.650%0.50355%0.545SS..  trans-95.3106.3167.5-173.3-12.9000110I278 K282 A283I278-D280 VanDerWaalsContact C-N 3.26Å; I278-D280 PolarHBondContact O-N 3.48Å; I278-D280 VanDerWaalsContact O-N 3.12Å; D280-K282 PolarHBondContact O-N 2.85Å; D280-K282 VanDerWaalsContact O-N 3.17Å; D280-K282 PolarHBondContact OD1-N 3.1Å; D280-A283 HydrophobicContact CB-CB 4.33Å
281P42Very low36.1Very low124 Ų124110.5 Ų110.581%0.80555%0.545SS*.THydrogen-bonded Turntrans-74.30.5-172.129.7-34.7000114.9H279H279-P281 VanDerWaalsContact O-CD 3.31Å; H279-P281 WeakPolarHBondContact O-CD 3.09Å
282K41.6Very low36Very low189 Ų189109.4 Ų109.482%0.82255%0.551SS**THydrogen-bonded Turntrans-1254.1-174.6-67.7-174.4178.4-178.20115.1D280 E284D280-K282 PolarHBondContact O-N 2.85Å; D280-K282 VanDerWaalsContact O-N 3.17Å; D280-K282 PolarHBondContact OD1-N 3.1Å; K282-E284 PolarHBondContact O-N 3.33Å
283A36.4Very low36Very low33 Ų33109.8 Ų109.827%0.27356%0.56SS.*  trans-98.489.1-173.800000112.2K275 D280 P285K275-A283 HydrophobicContact CD-CB 4.29Å; D280-A283 HydrophobicContact CB-CB 4.33Å; A283-P285 VanDerWaalsContact O-CD 3.24Å; A283-P285 WeakPolarHBondContact O-CD 3.33Å
284E34.8Very low35.9Very low184 Ų184111.8 Ų111.886%0.8657%0.566SS**PPolyproline II helixtrans-63.8121.7172.6-71.1-177.1176.300110.7K275 K282K275-E284 PolarHBondContact NZ-O 3.49Å; K282-E284 PolarHBondContact O-N 3.33Å
285P32.9Very low35.7Very low51 Ų51112 Ų11233%0.33158%0.584SS.*PPolyproline II helixtrans-84.8138162.611.55.6000109.8S272 K275 A283 I287S272-P285 WeakPolarHBondContact OG-CB 3.26Å; K275-P285 HydrophobicContact CB-CG 4.45Å; K275-P285 HydrophobicContact CD-CB 3.91Å; K275-P285 HydrophobicContact CD-CG 3.76Å; A283-P285 VanDerWaalsContact O-CD 3.24Å; A283-P285 WeakPolarHBondContact O-CD 3.33Å; P285-I287 PolarHBondContact O-N 2.74Å
286E33.8Very low35.7Very low179 Ų179116.1 Ų116.184%0.83661%0.609SS**PPolyproline II helixtrans-51.2125.3168.8-121.2169.9179.900109.5L288E286-L288 PolarHBondContact O-N 2.97Å
287I34.6Very low36.2Very low152 Ų152111.8 Ų111.878%0.77960%0.6SS**  trans-65.2108.4-179.1-61.8171.8000107.3P285 P289P285-I287 PolarHBondContact O-N 2.74Å; I287-P289 WeakPolarHBondContact O-CD 3.23Å
288L32.3Very low36.2Very low59 Ų59109.1 Ų109.131%0.30959%0.589SS.*  trans-67.4122.1165.1-55.5174.7000106.7Y269 E286 N290 V305Y269-L288 HydrophobicContact CD1-CD1 3.08Å; Y269-L288 HydrophobicContact CD1-CD2 3.97Å; Y269-L288 HydrophobicContact CD1-CG 4.05Å; Y269-L288 HydrophobicContact CD2-CD1 4.25Å; Y269-L288 HydrophobicContact CD2-CD2 3.94Å; Y269-L288 HydrophobicContact CE1-CB 4.19Å; Y269-L288 HydrophobicContact CE1-CD1 3.17Å; Y269-L288 HydrophobicContact CE1-CD2 3.35Å; Y269-L288 HydrophobicContact CE1-CG 3.67Å; Y269-L288 HydrophobicContact CE2-CD1 4.33Å; Y269-L288 HydrophobicContact CE2-CD2 3.32Å; Y269-L288 HydrophobicContact CE2-CG 4.38Å; Y269-L288 HydrophobicContact CG-CD1 3.69Å; Y269-L288 HydrophobicContact CG-CD2 4.24Å; Y269-L288 VanDerWaalsContact OH-CD2 3.28Å; Y269-L288 WeakPolarHBondContact OH-CD2 3.26Å; E286-L288 PolarHBondContact O-N 2.97Å; L288-N290 PolarHBondContact O-N 3.12Å; L288-V305 HydrophobicContact CD2-CG1 3.75Å
289P32.6Very low36.1Very low36 Ų36107.2 Ų107.223%0.23459%0.587CS.*  trans-54.1133.7-178.318.3-29.9000108.1I287 I291 A301 V305I287-P289 WeakPolarHBondContact O-CD 3.23Å; P289-I291 WeakPolarHBondContact O-CG1 3.36Å; P289-I291 PolarHBondContact O-N 2.92Å; P289-A301 HydrophobicContact CB-CB 3.43Å; P289-A301 VanDerWaalsContact CB-CB 3.43Å; P289-A301 HydrophobicContact CG-CB 3.4Å; P289-V305 HydrophobicContact CG-CB 4.09Å; P289-V305 HydrophobicContact CG-CG2 3.82Å
290N36.2Very low36.1Very low107 Ų107103.3 Ų103.357%0.57257%0.572SS**  trans-66.787.8175.4-176.67.2000108.6L288 D292 G293L288-N290 PolarHBondContact O-N 3.12Å; N290-D292 PolarHBondContact O-N 3.32Å; N290-D292 VanDerWaalsContact O-N 3.11Å; N290-D292 WeakPolarHBondContact OD1-CB 3.37Å; N290-D292 PolarHBondContact OD1-N 3.43Å; N290-D292 VanDerWaalsContact OD1-N 3.16Å; N290-G293 PolarHBondContact O-N 2.89Å; N290-G293 VanDerWaalsContact O-N 3.13Å; N290-G293 PolarHBondContact OD1-N 2.89Å
291I33.5Very low35.9Very low88 Ų8899.7 Ų99.745%0.45156%0.555SS.*THydrogen-bonded Turntrans-62-17.7178.2-39.2-176.4000110.4P289P289-I291 WeakPolarHBondContact O-CG1 3.36Å; P289-I291 PolarHBondContact O-N 2.92Å
292D32.5Very low35.9Very low137 Ų13795.4 Ų95.473%0.73353%0.526SS*.THydrogen-bonded Turntrans-91.5-6.8-179-60.8-45.4000113.8N290N290-D292 PolarHBondContact O-N 3.32Å; N290-D292 VanDerWaalsContact O-N 3.11Å; N290-D292 WeakPolarHBondContact OD1-CB 3.37Å; N290-D292 PolarHBondContact OD1-N 3.43Å; N290-D292 VanDerWaalsContact OD1-N 3.16Å
293G31Very low36.2Very low43 Ų4388.5 Ų88.544%0.44350%0.498SS..THydrogen-bonded Turntrans-110.7-39.3-167.200000117N290N290-G293 PolarHBondContact O-N 2.89Å; N290-G293 VanDerWaalsContact O-N 3.13Å; N290-G293 PolarHBondContact OD1-N 2.89Å
294D29.7Very low36.9Very low114 Ų11492 Ų9261%0.6151%0.512SS*.  trans-135.896.7-167.5-72.3-48000112L296 N297D294-L296 PolarHBondContact O-N 2.69Å; D294-N297 PolarHBondContact O-N 2.96Å
295A32.4Very low37.6Very low83 Ų8384.8 Ų84.869%0.68648%0.48SS*.THydrogen-bonded Turntrans-60.5-10.1177.800000114.5I298A295-I298 HydrophobicContact CB-CD1 4.37Å
296L36.1Very low38.4Very low165 Ų16584.2 Ų84.286%0.86447%0.472SS*.THydrogen-bonded Turntrans-89-17.6-176.9-76.2156000113.9D294D294-L296 PolarHBondContact O-N 2.69Å
297N44.3Very low39.4Very low101 Ų10176.1 Ų76.154%0.5444%0.435SS..SBendtrans-117.316-178.5-88.74.9000114.2D294 S299 D300 A301D294-N297 PolarHBondContact O-N 2.96Å; N297-S299 PolarHBondContact O-N 3.34Å; N297-D300 PolarHBondContact O-N 3.23Å; N297-A301 WeakPolarHBondContact O-CB 3.05Å; N297-A301 PolarHBondContact O-N 3.03Å
298I37.5Very low40.5Very low64 Ų6470.6 Ų70.633%0.32841%0.408SS..Hα-helixtrans-58.8-36.9-178.2-68.2174000111.7A295 V302A295-I298 HydrophobicContact CB-CD1 4.37Å; I298-V302 HydrophobicContact CG2-CG2 4.12Å; I298-V302 VanDerWaalsContact O-CB 3.3Å; I298-V302 WeakPolarHBondContact O-CB 3.23Å; I298-V302 WeakPolarHBondContact O-CG2 3.42Å; I298-V302 PolarHBondContact O-N 3.26Å
299S36.6Very low41.5Very low83 Ų8369.4 Ų69.458%0.5840%0.403SS*.Hα-helixtrans-63.9-47.6-179.4-490000111.8N297 V302 L303N297-S299 PolarHBondContact O-N 3.34Å; S299-V302 PolarHBondContact O-N 3.26Å; S299-L303 VanDerWaalsContact O-CB 3.31Å; S299-L303 WeakPolarHBondContact O-CB 3.03Å; S299-L303 WeakPolarHBondContact O-CD1 3.3Å; S299-L303 VanDerWaalsContact O-CG 3.22Å; S299-L303 WeakPolarHBondContact O-CG 3.26Å; S299-L303 PolarHBondContact O-N 2.91Å
300D43.2Very low42.6Very low84 Ų8468.1 Ų68.145%0.44939%0.394SS..Hα-helixtrans-67.5-42.5179.3-62-16000110.4N297 V302 L303 D304N297-D300 PolarHBondContact O-N 3.23Å; D300-V302 VanDerWaalsContact C-N 3.35Å; D300-V302 PolarHBondContact O-N 3.08Å; D300-L303 PolarHBondContact O-N 2.65Å; D300-D304 VanDerWaalsContact O-CB 3.25Å; D300-D304 WeakPolarHBondContact O-CB 3.4Å; D300-D304 PolarHBondContact O-N 3.18Å
301A40.3Very low43.6Very low17 Ų1763.5 Ų63.514%0.1437%0.369CS..Hα-helixtrans-59.7-42.2175.700000113.3P289 N297 V305P289-A301 HydrophobicContact CB-CB 3.43Å; P289-A301 VanDerWaalsContact CB-CB 3.43Å; P289-A301 HydrophobicContact CG-CB 3.4Å; N297-A301 WeakPolarHBondContact O-CB 3.05Å; N297-A301 PolarHBondContact O-N 3.03Å; A301-V305 PolarHBondContact O-N 3.16Å
302V42.5Very low45Very low35 Ų3565 Ų6521%0.21238%0.376CS..Iπ-helixtrans-67.8-45.3176.4166.80000110.6I298 S299 D300 Y306 L307 L355I298-V302 HydrophobicContact CG2-CG2 4.12Å; I298-V302 VanDerWaalsContact O-CB 3.3Å; I298-V302 WeakPolarHBondContact O-CB 3.23Å; I298-V302 WeakPolarHBondContact O-CG2 3.42Å; I298-V302 PolarHBondContact O-N 3.26Å; S299-V302 PolarHBondContact O-N 3.26Å; D300-V302 VanDerWaalsContact C-N 3.35Å; D300-V302 PolarHBondContact O-N 3.08Å; V302-Y306 PolarHBondContact O-N 3.46Å; V302-L307 HydrophobicContact CG1-CD1 4.38Å; V302-L307 WeakPolarHBondContact O-CB 3.32Å; V302-L307 PolarHBondContact O-N 3.35Å; V302-L355 HydrophobicContact CG1-CD1 3.97Å
303L47.3Very low46.1Very low43 Ų4358.9 Ų58.923%0.22534%0.343CS..Iπ-helixtrans-67.6-47.1-178.1-76.9165.5000112.7S299 D300 L307 L331S299-L303 VanDerWaalsContact O-CB 3.31Å; S299-L303 WeakPolarHBondContact O-CB 3.03Å; S299-L303 WeakPolarHBondContact O-CD1 3.3Å; S299-L303 VanDerWaalsContact O-CG 3.22Å; S299-L303 WeakPolarHBondContact O-CG 3.26Å; S299-L303 PolarHBondContact O-N 2.91Å; D300-L303 PolarHBondContact O-N 2.65Å; L303-L307 HydrophobicContact CD2-CD1 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L331 HydrophobicContact CD2-CB 3.97Å; L303-L331 HydrophobicContact CD2-CD1 3.84Å; L303-L331 HydrophobicContact CD2-CD2 4.41Å; L303-L331 HydrophobicContact CD2-CG 4.3Å
304D50.9Low47.3Very low107 Ų10757 Ų5757%0.57232%0.323SS*.Iπ-helixtrans-82.6-27.4-168.8-71.9-20.8000113.2D300 V308D300-D304 VanDerWaalsContact O-CB 3.25Å; D300-D304 WeakPolarHBondContact O-CB 3.4Å; D300-D304 PolarHBondContact O-N 3.18Å; D304-V308 WeakPolarHBondContact O-CB 3.24Å; D304-V308 WeakPolarHBondContact O-CG2 2.99Å
305V49.8Very low48.9Very low32 Ų3256.4 Ų56.419%0.19432%0.317CS..Iπ-helixtrans-121.8-51.4-166.8-166.60000111.4Y269 L288 P289 A301 T309Y269-V305 HydrophobicContact CE2-CG1 4.38Å; Y269-V305 WeakPolarHBondContact OH-CG1 3.47Å; L288-V305 HydrophobicContact CD2-CG1 3.75Å; P289-V305 HydrophobicContact CG-CB 4.09Å; P289-V305 HydrophobicContact CG-CG2 3.82Å; A301-V305 PolarHBondContact O-N 3.16Å; V305-T309 WeakPolarHBondContact O-CB 3.3Å; V305-T309 PolarHBondContact O-N 3.22Å; V305-T309 VanDerWaalsContact O-N 3.13Å; V305-T309 PolarHBondContact O-OG1 2.93Å
306Y49.8Very low50.4Low40 Ų4055.8 Ų55.816%0.15731%0.307CS..Iπ-helixtrans-73.8-47.7-178.3-160.4-83.8000111.8V302 V308 T309 V310 L355 F358V302-Y306 PolarHBondContact O-N 3.46Å; Y306-V308 PolarHBondContact O-N 2.85Å; Y306-T309 PolarHBondContact O-N 2.85Å; Y306-V310 HydrophobicContact CD1-CG2 3.82Å; Y306-V310 HydrophobicContact CE1-CG2 3.66Å; Y306-V310 WeakPolarHBondContact O-CG2 3.07Å; Y306-V310 PolarHBondContact O-N 2.78Å; Y306-L355 HydrophobicContact CD1-CD2 3.11Å; Y306-L355 HydrophobicContact CE1-CD2 3.22Å; Y306-L355 HydrophobicContact CG-CD2 3.86Å; Y306-F358 HydrophobicContact CE1-CB 4.21Å; Y306-F358 HydrophobicContact CE1-CD2 4.01Å; Y306-F358 HydrophobicContact CE1-CG 4.36Å; Y306-F358 WeakPolarHBondContact OH-CB 3.34Å
307L53.3Low51.2Low9 Ų948.7 Ų48.75%0.04727%0.271CS..Iπ-helixtrans-63.3-42.7-179.5-128.7124000111.6V302 L303 T309 V310 E311 V327 R328 L331V302-L307 HydrophobicContact CG1-CD1 4.38Å; V302-L307 WeakPolarHBondContact O-CB 3.32Å; V302-L307 PolarHBondContact O-N 3.35Å; L303-L307 HydrophobicContact CD2-CD1 4.46Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L307-T309 PolarHBondContact O-N 3.13Å; L307-V310 PolarHBondContact O-N 2.98Å; L307-E311 WeakPolarHBondContact O-CB 3.35Å; L307-E311 VanDerWaalsContact O-CG 3.26Å; L307-E311 WeakPolarHBondContact O-CG 3.28Å; L307-E311 PolarHBondContact O-N 3.17Å; L307-V327 HydrophobicContact CD1-CG1 3.85Å; L307-V327 HydrophobicContact CD2-CB 4.11Å; L307-V327 HydrophobicContact CD2-CG1 3.84Å; L307-V327 HydrophobicContact CG-CG1 4.13Å; L307-R328 HydrophobicContact CD2-CB 3.48Å; L307-R328 VanDerWaalsContact CD2-CB 3.48Å; L307-R328 HydrophobicContact CD2-CG 4.19Å; L307-L331 HydrophobicContact CD1-CD1 3.56Å; L307-L331 HydrophobicContact CD2-CD1 4.4Å
308V58.7Low51.9Low36 Ų3645 Ų4522%0.21825%0.251CS..Hα-helixtrans-61-45.3175.5175.30000111.5D304 Y306 V310 E311 M312D304-V308 WeakPolarHBondContact O-CB 3.24Å; D304-V308 WeakPolarHBondContact O-CG2 2.99Å; Y306-V308 PolarHBondContact O-N 2.85Å; V308-V310 PolarHBondContact O-N 3.23Å; V308-E311 PolarHBondContact O-N 3.26Å; V308-M312 HydrophobicContact CG1-CG 4.24Å; V308-M312 HydrophobicContact CG1-SD 3.91Å; V308-M312 WeakPolarHBondContact O-CB 3.33Å; V308-M312 VanDerWaalsContact O-CG 3.29Å; V308-M312 WeakPolarHBondContact O-CG 3.12Å; V308-M312 PolarHBondContact O-N 3.08Å
309T53.9Low53.1Low33 Ų3348.2 Ų48.220%0.20227%0.265CS..Hα-helixtrans-62.2-44.6179.1-59.50000111.4Y269 V305 Y306 L307 T313Y269-T309 HydrophobicContact CE2-CG2 4.44Å; V305-T309 WeakPolarHBondContact O-CB 3.3Å; V305-T309 PolarHBondContact O-N 3.22Å; V305-T309 VanDerWaalsContact O-N 3.13Å; V305-T309 PolarHBondContact O-OG1 2.93Å; Y306-T309 PolarHBondContact O-N 2.85Å; L307-T309 PolarHBondContact O-N 3.13Å; T309-T313 WeakPolarHBondContact O-CB 3.5Å; T309-T313 PolarHBondContact O-N 3.45Å; T309-T313 PolarHBondContact O-OG1 2.94Å
310V54.2Low54.2Low9 Ų950.5 Ų50.56%0.05528%0.277CS..Hα-helixtrans-59.2-52.3174.1165.80000110.1Y306 L307 V308 M312 T313 F314 L325 F358Y306-V310 HydrophobicContact CD1-CG2 3.82Å; Y306-V310 HydrophobicContact CE1-CG2 3.66Å; Y306-V310 WeakPolarHBondContact O-CG2 3.07Å; Y306-V310 PolarHBondContact O-N 2.78Å; L307-V310 PolarHBondContact O-N 2.98Å; V308-V310 PolarHBondContact O-N 3.23Å; V310-M312 PolarHBondContact O-N 2.78Å; V310-T313 WeakPolarHBondContact O-CB 3.26Å; V310-T313 PolarHBondContact O-N 3.2Å; V310-T313 VanDerWaalsContact O-N 3.14Å; V310-F314 HydrophobicContact CG1-CD2 4.02Å; V310-F314 HydrophobicContact CG1-CE2 4.15Å; V310-F314 WeakPolarHBondContact O-CD2 3.44Å; V310-F314 PolarHBondContact O-N 3.39Å; V310-L325 HydrophobicContact CG1-CD2 3.82Å; V310-F358 HydrophobicContact CB-CE2 4.1Å; V310-F358 HydrophobicContact CB-CZ 4.24Å; V310-F358 HydrophobicContact CG1-CD2 4.29Å; V310-F358 HydrophobicContact CG1-CE1 4.17Å; V310-F358 HydrophobicContact CG1-CE2 3.35Å; V310-F358 HydrophobicContact CG1-CZ 3.29Å; V310-F358 HydrophobicContact CG2-CD1 4.4Å; V310-F358 HydrophobicContact CG2-CD2 3.63Å; V310-F358 HydrophobicContact CG2-CE1 4.31Å; V310-F358 HydrophobicContact CG2-CE2 3.55Å; V310-F358 HydrophobicContact CG2-CG 4.12Å; V310-F358 HydrophobicContact CG2-CZ 3.93Å
311E58.6Low55.2Low11 Ų1152.4 Ų52.45%0.05129%0.292CS..Hα-helixtrans-60.2-46.4-178.1-76.1-174.5154.600112.8L307 V308 T313 F314 Q315 R328L307-E311 WeakPolarHBondContact O-CB 3.35Å; L307-E311 VanDerWaalsContact O-CG 3.26Å; L307-E311 WeakPolarHBondContact O-CG 3.28Å; L307-E311 PolarHBondContact O-N 3.17Å; V308-E311 PolarHBondContact O-N 3.26Å; E311-T313 VanDerWaalsContact C-N 3.25Å; E311-T313 PolarHBondContact O-N 2.68Å; E311-F314 PolarHBondContact O-N 2.93Å; E311-Q315 WeakPolarHBondContact O-CB 3.41Å; E311-Q315 VanDerWaalsContact O-CG 3.29Å; E311-Q315 WeakPolarHBondContact O-CG 3.03Å; E311-Q315 PolarHBondContact O-N 2.87Å; E311-R328 WeakPolarHBondContact OE1-CB 3.49Å; E311-R328 WeakPolarHBondContact OE2-CD 3.41Å; E311-R328 IonicContact OE2-NH1 3.47Å; E311-R328 PolarHBondContact OE2-NH1 2.8Å
312M61.8Low55.9Low120 Ų12052.9 Ų52.959%0.59129%0.293SS*.Hα-helixtrans-59.5-40176.1-75.6-178.161.700111.5V308 V310 Q315 S316V308-M312 HydrophobicContact CG1-CG 4.24Å; V308-M312 HydrophobicContact CG1-SD 3.91Å; V308-M312 WeakPolarHBondContact O-CB 3.33Å; V308-M312 VanDerWaalsContact O-CG 3.29Å; V308-M312 WeakPolarHBondContact O-CG 3.12Å; V308-M312 PolarHBondContact O-N 3.08Å; V310-M312 PolarHBondContact O-N 2.78Å; M312-Q315 PolarHBondContact O-N 3.16Å; M312-S316 WeakPolarHBondContact O-CB 3.33Å; M312-S316 PolarHBondContact O-N 3.38Å; M312-S316 PolarHBondContact O-OG 2.94Å
313T56.1Low56.6Low7 Ų754.5 Ų54.54%0.04330%0.304CS..Hα-helixtrans-64-44.4178.3-60.90000111.3N261 L262 S265 T309 V310 E311 S316N261-T313 HydrophobicContact CB-CG2 3.87Å; L262-T313 HydrophobicContact CB-CG2 4.28Å; L262-T313 HydrophobicContact CD2-CG2 3.72Å; L262-T313 HydrophobicContact CG-CG2 3.63Å; L262-T313 VanDerWaalsContact N-CG2 3.32Å; S265-T313 PolarHBondContact OG-OG1 3.49Å; T309-T313 WeakPolarHBondContact O-CB 3.5Å; T309-T313 PolarHBondContact O-N 3.45Å; T309-T313 PolarHBondContact O-OG1 2.94Å; V310-T313 WeakPolarHBondContact O-CB 3.26Å; V310-T313 PolarHBondContact O-N 3.2Å; V310-T313 VanDerWaalsContact O-N 3.14Å; E311-T313 VanDerWaalsContact C-N 3.25Å; E311-T313 PolarHBondContact O-N 2.68Å; T313-S316 PolarHBondContact O-OG 2.88Å
314F55.8Low57.2Low3 Ų356.2 Ų56.21%0.01332%0.316CS..Hα-helixtrans-64.8-51.3173.8-85.8-90000111.4Y242 F247 I258 V310 E311 S316 C317 L318 F358Y242-F314 AromaticContact CE1-CD1 3.66Å; Y242-F314 HydrophobicContact CE1-CD1 3.66Å; Y242-F314 AromaticContact CE1-CE1 3.64Å; Y242-F314 HydrophobicContact CE1-CE1 3.64Å; Y242-F314 HydrophobicContact CE1-CG 4.38Å; Y242-F314 HydrophobicContact CE1-CZ 4.41Å; Y242-F314 AromaticContact CZ-CD1 3.79Å; Y242-F314 WeakPolarHBondContact OH-CD1 3.26Å; F247-F314 HydrophobicContact CD2-CZ 4.32Å; I258-F314 HydrophobicContact CD1-CD1 4.26Å; I258-F314 HydrophobicContact CD1-CE1 4.07Å; I258-F314 HydrophobicContact CG2-CE1 4.22Å; I258-F314 HydrophobicContact CG2-CE2 4.46Å; I258-F314 HydrophobicContact CG2-CZ 4.12Å; V310-F314 HydrophobicContact CG1-CD2 4.02Å; V310-F314 HydrophobicContact CG1-CE2 4.15Å; V310-F314 WeakPolarHBondContact O-CD2 3.44Å; V310-F314 PolarHBondContact O-N 3.39Å; E311-F314 PolarHBondContact O-N 2.93Å; F314-S316 PolarHBondContact O-N 3.43Å; F314-S316 VanDerWaalsContact O-N 3.12Å; F314-C317 CarbonylContact O-C 3.58Å; F314-C317 PolarHBondContact O-N 2.88Å; F314-L318 HydrophobicContact CB-CD1 4.36Å; F314-L318 WeakPolarHBondContact O-CB 3.5Å; F314-L318 VanDerWaalsContact O-CG 3.23Å; F314-L318 WeakPolarHBondContact O-CG 3.44Å; F314-L318 PolarHBondContact O-N 2.72Å; F314-F358 HydrophobicContact CD2-CZ 4.46Å; F314-F358 AromaticContact CE2-CE1 3.69Å; F314-F358 HydrophobicContact CE2-CE1 3.69Å; F314-F358 AromaticContact CE2-CZ 3.5Å; F314-F358 HydrophobicContact CE2-CZ 3.5Å; F314-F358 HydrophobicContact CZ-CE1 4.32Å; F314-F358 HydrophobicContact CZ-CZ 4.18Å
315Q64.7Low57.6Low103 Ų10351.4 Ų51.448%0.48129%0.29SS..Hα-helixtrans-53.8-36.7179.4-75.2177.1-2.900112.6E311 M312 C317E311-Q315 WeakPolarHBondContact O-CB 3.41Å; E311-Q315 VanDerWaalsContact O-CG 3.29Å; E311-Q315 WeakPolarHBondContact O-CG 3.03Å; E311-Q315 PolarHBondContact O-N 2.87Å; M312-Q315 PolarHBondContact O-N 3.16Å; Q315-C317 PolarHBondContact O-N 3.16Å
316S63.3Low58.2Low70 Ų7051.6 Ų51.649%0.4929%0.292SS..Hα-helixtrans-67.2-21.2177.674.50000114.7N261 M312 T313 F314N261-S316 PolarHBondContact ND2-OG 2.91Å; M312-S316 WeakPolarHBondContact O-CB 3.33Å; M312-S316 PolarHBondContact O-N 3.38Å; M312-S316 PolarHBondContact O-OG 2.94Å; T313-S316 PolarHBondContact O-OG 2.88Å; F314-S316 PolarHBondContact O-N 3.43Å; F314-S316 VanDerWaalsContact O-N 3.12Å
317C52.3Low58.6Low15 Ų1549.8 Ų49.810%0.10129%0.285CS..Hα-helixtrans-110.3-13.6-179.2-76.70000114.1C257 I258 N261 F314 Q315C257-C317 HydrophobicContact CB-CB 3.94Å; C257-C317 WeakPolarHBondContact CB-SG 3.25Å; C257-C317 PolarHBondContact O-SG 3.31Å; C257-C317 WeakPolarHBondContact SG-CA 3.13Å; C257-C317 WeakPolarHBondContact SG-CB 3.46Å; C257-C317 CovalentContact SG-SG 2.07Å; C257-C317 PolarHBondContact SG-SG 3.12Å; I258-C317 HydrophobicContact CG1-CB 3.62Å; I258-C317 PolarHBondContact N-SG 2.92Å; N261-C317 PolarHBondContact ND2-SG 3.11Å; F314-C317 CarbonylContact O-C 3.58Å; F314-C317 PolarHBondContact O-N 2.88Å; Q315-C317 PolarHBondContact O-N 3.16Å
318L60Low58.7Low23 Ų2354 Ų5412%0.1230%0.3CS..SBendtrans-82.2144.7177.3-75.3-173.8000110.4Y242 F246 F314 D322Y242-L318 HydrophobicContact CE2-CD1 4.35Å; Y242-L318 WeakPolarHBondContact OH-CD1 3.2Å; F246-L318 HydrophobicContact CD1-CD2 4.04Å; F314-L318 HydrophobicContact CB-CD1 4.36Å; F314-L318 WeakPolarHBondContact O-CB 3.5Å; F314-L318 VanDerWaalsContact O-CG 3.23Å; F314-L318 WeakPolarHBondContact O-CG 3.44Å; F314-L318 PolarHBondContact O-N 2.72Å; L318-D322 HydrophobicContact CB-CB 3.89Å; L318-D322 HydrophobicContact CD1-CB 4.07Å; L318-D322 HydrophobicContact CD2-CB 3.84Å; L318-D322 HydrophobicContact CG-CB 4.1Å
319H62Low58.8Low133 Ų13355.5 Ų55.562%0.61632%0.316SS*.  trans-66.3152.5165.4-111.4-82.5000109.2T321 D322H319-T321 PolarHBondContact O-N 2.73Å; H319-D322 PolarHBondContact N-OD2 2.84Å; H319-D322 WeakPolarHBondContact O-CB 3.38Å; H319-D322 PolarHBondContact O-N 2.75Å
320P59.6Low59Low130 Ų13054.7 Ų54.784%0.84431%0.313SS*.THydrogen-bonded Turntrans-56.5-17.8178-26.334.5000114.9
321T63.5Low58.9Low124 Ų12455 Ų5576%0.76132%0.315SS*.THydrogen-bonded Turntrans-91.4-7177.754.40000113.7H319H319-T321 PolarHBondContact O-N 2.73Å
322D56.9Low58.8Low28 Ų2858.9 Ų58.915%0.1534%0.335CS..SBendtrans-80.3139.1179.9-66.7-32.1000110.1F246 R250 L318 H319F246-D322 HydrophobicContact CE1-CB 4.02Å; R250-D322 IonicContact CZ-OD2 2.69Å; R250-D322 IonicContact NH2-OD1 3.07Å; R250-D322 PolarHBondContact NH2-OD1 2.78Å; R250-D322 IonicContact NH2-OD2 2.79Å; R250-D322 PolarHBondContact NH2-OD2 3.3Å; L318-D322 HydrophobicContact CB-CB 3.89Å; L318-D322 HydrophobicContact CD1-CB 4.07Å; L318-D322 HydrophobicContact CD2-CB 3.84Å; L318-D322 HydrophobicContact CG-CB 4.1Å; H319-D322 PolarHBondContact N-OD2 2.84Å; H319-D322 WeakPolarHBondContact O-CB 3.38Å; H319-D322 PolarHBondContact O-N 2.75Å
323P56.3Low58.5Low68 Ų6857.5 Ų57.544%0.44233%0.326SS..PPolyproline II helixtrans-60.6139.5179.324.7-33.2000110.9Y242 F246Y242-P323 HydrophobicContact CD2-CG 4.42Å; Y242-P323 HydrophobicContact CE2-CG 4.49Å; Y242-P323 WeakPolarHBondContact CE2-O 3.42Å; F246-P323 HydrophobicContact CE1-CG 4.21Å; F246-P323 HydrophobicContact CE2-CG 3.48Å; F246-P323 VanDerWaalsContact CE2-CG 3.48Å; F246-P323 HydrophobicContact CZ-CG 3.32Å
324V60Low58.1Low80 Ų8057.4 Ų57.449%0.48533%0.327SS..PPolyproline II helixtrans-69.8141.6173.2-178.20000108.7P326V324-P326 VanDerWaalsContact O-CD 3.3Å; V324-P326 WeakPolarHBondContact O-CD 3.3Å
325L59.7Low57.7Low6 Ų661.4 Ų61.43%0.03135%0.354CS..  trans-51.8114173-177.772.5000108.5Y242 V310 V327Y242-L325 HydrophobicContact CD1-CB 4.48Å; Y242-L325 HydrophobicContact CD1-CD1 3.19Å; Y242-L325 HydrophobicContact CD1-CG 4.4Å; Y242-L325 HydrophobicContact CE1-CB 4.06Å; Y242-L325 HydrophobicContact CE1-CD1 3.44Å; Y242-L325 VanDerWaalsContact CE1-CD1 3.44Å; Y242-L325 HydrophobicContact CE1-CG 4.32Å; Y242-L325 HydrophobicContact CG-CD1 3.89Å; V310-L325 HydrophobicContact CG1-CD2 3.82Å; L325-V327 HydrophobicContact CD1-CG2 3.99Å; L325-V327 HydrophobicContact CD2-CB 4.3Å; L325-V327 HydrophobicContact CD2-CG2 3.73Å; L325-V327 HydrophobicContact CG-CB 4.24Å; L325-V327 HydrophobicContact CG-CG2 3.6Å; L325-V327 PolarHBondContact O-N 3.4Å
326P62.4Low57.1Low36 Ų3660.2 Ų60.223%0.23436%0.362CS..THydrogen-bonded Turntrans-77.28.1-167.130.2-34.5000112.8A238 V239 V324 R328 A329 A330A238-P326 HydrophobicContact CB-CB 4.47Å; A238-P326 HydrophobicContact CB-CG 3.63Å; V239-P326 HydrophobicContact CG2-CG 4.31Å; V324-P326 VanDerWaalsContact O-CD 3.3Å; V324-P326 WeakPolarHBondContact O-CD 3.3Å; P326-R328 PolarHBondContact O-N 2.82Å; P326-A329 PolarHBondContact O-N 3.46Å; P326-A330 WeakPolarHBondContact O-CB 3.16Å; P326-A330 PolarHBondContact O-N 2.86Å
327V57.7Low56.3Low2 Ų261 Ų611%0.01236%0.361CS..Hα-helixtrans-59.4-49.9-175.2-178.50000110.5V239 L307 L325 A330 L331 A351 A354V239-V327 HydrophobicContact CB-CG2 4.5Å; V239-V327 HydrophobicContact CG1-CG2 4.32Å; V239-V327 HydrophobicContact CG2-CB 4.47Å; V239-V327 HydrophobicContact CG2-CG2 3.35Å; L307-V327 HydrophobicContact CD1-CG1 3.85Å; L307-V327 HydrophobicContact CD2-CB 4.11Å; L307-V327 HydrophobicContact CD2-CG1 3.84Å; L307-V327 HydrophobicContact CG-CG1 4.13Å; L325-V327 HydrophobicContact CD1-CG2 3.99Å; L325-V327 HydrophobicContact CD2-CB 4.3Å; L325-V327 HydrophobicContact CD2-CG2 3.73Å; L325-V327 HydrophobicContact CG-CB 4.24Å; L325-V327 HydrophobicContact CG-CG2 3.6Å; L325-V327 PolarHBondContact O-N 3.4Å; V327-A330 PolarHBondContact O-N 2.92Å; V327-L331 HydrophobicContact CG1-CD1 3.58Å; V327-L331 WeakPolarHBondContact O-CB 3.33Å; V327-L331 WeakPolarHBondContact O-CD1 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.19Å; V327-L331 PolarHBondContact O-N 2.94Å; V327-A351 HydrophobicContact CG1-CB 4.27Å; V327-A354 HydrophobicContact CG2-CB 4.24Å
328R55.1Low56Low98 Ų9867.9 Ų67.937%0.3740%0.396SS..Hα-helixtrans-70.1-42.8-179.7-171.6172.4-178.7-172.74.7112.4L307 E311 P326 A330 L331 I332L307-R328 HydrophobicContact CD2-CB 3.48Å; L307-R328 VanDerWaalsContact CD2-CB 3.48Å; L307-R328 HydrophobicContact CD2-CG 4.19Å; E311-R328 WeakPolarHBondContact OE1-CB 3.49Å; E311-R328 WeakPolarHBondContact OE2-CD 3.41Å; E311-R328 IonicContact OE2-NH1 3.47Å; E311-R328 PolarHBondContact OE2-NH1 2.8Å; P326-R328 PolarHBondContact O-N 2.82Å; R328-A330 VanDerWaalsContact C-N 3.29Å; R328-A330 PolarHBondContact O-N 2.85Å; R328-L331 PolarHBondContact O-N 2.73Å; R328-I332 HydrophobicContact CG-CD1 3.62Å; R328-I332 HydrophobicContact CG-CG1 4.15Å; R328-I332 VanDerWaalsContact O-CB 3.28Å; R328-I332 WeakPolarHBondContact O-CB 3.18Å; R328-I332 WeakPolarHBondContact O-CG1 3.48Å; R328-I332 PolarHBondContact O-N 2.07Å
329A61.7Low55.7Low66 Ų6667.3 Ų67.355%0.54539%0.394SS..Hα-helixtrans-59.8-43.5177.100000110.9P326 E333P326-A329 PolarHBondContact O-N 3.46Å; A329-E333 WeakPolarHBondContact O-CB 3.43Å; A329-E333 PolarHBondContact O-N 3.2Å
330A56.9Low55.7Low17 Ų1764.3 Ų64.314%0.1439%0.388CS..Hα-helixtrans-68.1-41.4177.100000113A235 P326 V327 R328 E333 A334A235-A330 HydrophobicContact CB-CB 3.48Å; A235-A330 VanDerWaalsContact CB-CB 3.48Å; P326-A330 WeakPolarHBondContact O-CB 3.16Å; P326-A330 PolarHBondContact O-N 2.86Å; V327-A330 PolarHBondContact O-N 2.92Å; R328-A330 VanDerWaalsContact C-N 3.29Å; R328-A330 PolarHBondContact O-N 2.85Å; A330-E333 PolarHBondContact O-N 3.35Å; A330-A334 WeakPolarHBondContact O-CB 3.38Å; A330-A334 PolarHBondContact O-N 2.81Å
331L52.3Low55.5Low16 Ų1665.5 Ų65.58%0.08438%0.382CS..Hα-helixtrans-64.5-44.9174.2-82.4155.9000111.7L303 L307 V327 R328 A334 C335 A347 A351L303-L331 HydrophobicContact CD2-CB 3.97Å; L303-L331 HydrophobicContact CD2-CD1 3.84Å; L303-L331 HydrophobicContact CD2-CD2 4.41Å; L303-L331 HydrophobicContact CD2-CG 4.3Å; L307-L331 HydrophobicContact CD1-CD1 3.56Å; L307-L331 HydrophobicContact CD2-CD1 4.4Å; V327-L331 HydrophobicContact CG1-CD1 3.58Å; V327-L331 WeakPolarHBondContact O-CB 3.33Å; V327-L331 WeakPolarHBondContact O-CD1 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.19Å; V327-L331 PolarHBondContact O-N 2.94Å; R328-L331 PolarHBondContact O-N 2.73Å; L331-A334 PolarHBondContact O-N 3.41Å; L331-C335 WeakPolarHBondContact O-CB 3.17Å; L331-C335 PolarHBondContact O-N 3.36Å; L331-C335 PolarHBondContact O-SG 3.05Å; L331-A347 HydrophobicContact CD2-CB 4.31Å; L331-A347 HydrophobicContact CG-CB 4.4Å; L331-A351 HydrophobicContact CD1-CB 3.85Å; L331-A351 HydrophobicContact CD2-CB 4.38Å
332I56Low55Low92 Ų9263.4 Ų63.447%0.47237%0.366SS..Hα-helixtrans-62.2-45.7176-69.9173.1000109.8R328 A334 C335 A336R328-I332 HydrophobicContact CG-CD1 3.62Å; R328-I332 HydrophobicContact CG-CG1 4.15Å; R328-I332 VanDerWaalsContact O-CB 3.28Å; R328-I332 WeakPolarHBondContact O-CB 3.18Å; R328-I332 WeakPolarHBondContact O-CG1 3.48Å; R328-I332 PolarHBondContact O-N 2.07Å; I332-A334 VanDerWaalsContact C-N 3.32Å; I332-A334 PolarHBondContact O-N 3.11Å; I332-C335 PolarHBondContact O-N 3.29Å; I332-A336 WeakPolarHBondContact O-CB 3.18Å; I332-A336 PolarHBondContact O-N 2.77Å
333E56.5Low54.9Low90 Ų9066.2 Ų66.242%0.42138%0.377SS..Hα-helixtrans-61.7-41.2177.2-169.4-167.5146.700111.5A329 A330 N337 K343A329-E333 WeakPolarHBondContact O-CB 3.43Å; A329-E333 PolarHBondContact O-N 3.2Å; A330-E333 PolarHBondContact O-N 3.35Å; E333-N337 WeakPolarHBondContact CG-ND2 3.48Å; E333-N337 WeakPolarHBondContact O-CB 3.38Å; E333-N337 PolarHBondContact O-N 2.89Å; E333-N337 VanDerWaalsContact O-N 3.11Å; E333-N337 PolarHBondContact O-ND2 3.13Å; E333-K343 IonicContact OE1-NZ 3.89Å; E333-K343 PolarHBondContact OE1-NZ 3.42Å
334A48.2Very low54.7Low6 Ų668.2 Ų68.25%0.0538%0.376CS..Hα-helixtrans-67.2-34.7179.300000113.2A330 L331 I332 S339 R344 A347A330-A334 WeakPolarHBondContact O-CB 3.38Å; A330-A334 PolarHBondContact O-N 2.81Å; L331-A334 PolarHBondContact O-N 3.41Å; I332-A334 VanDerWaalsContact C-N 3.32Å; I332-A334 PolarHBondContact O-N 3.11Å; A334-S339 WeakPolarHBondContact CA-OG 3.16Å; A334-S339 PolarHBondContact O-OG 3.43Å; A334-R344 HydrophobicContact CB-CG 4.31Å; A334-R344 PolarHBondContact O-NE 3.35Å; A334-A347 HydrophobicContact CB-CB 3.63Å
335C45.9Very low54.4Low86 Ų8667.6 Ų67.658%0.58137%0.369SS*.Hα-helixtrans-82.4-38.9178-700000113.1L331 I332L331-C335 WeakPolarHBondContact O-CB 3.17Å; L331-C335 PolarHBondContact O-N 3.36Å; L331-C335 PolarHBondContact O-SG 3.05Å; I332-C335 PolarHBondContact O-N 3.29Å
336A53.9Low54Low78 Ų7868.6 Ų68.665%0.64537%0.374SS*.Hα-helixtrans-78.5-31.9-175.200000112.9I332I332-A336 WeakPolarHBondContact O-CB 3.18Å; I332-A336 PolarHBondContact O-N 2.77Å
337N46.1Very low53.6Low88 Ų8867 Ų6747%0.47136%0.364SS..THydrogen-bonded Turntrans-92.8147.8173.1-66-45.4000109.2E333 S339E333-N337 WeakPolarHBondContact CG-ND2 3.48Å; E333-N337 WeakPolarHBondContact O-CB 3.38Å; E333-N337 PolarHBondContact O-N 2.89Å; E333-N337 VanDerWaalsContact O-N 3.11Å; E333-N337 PolarHBondContact O-ND2 3.13Å; N337-S339 PolarHBondContact O-N 2.93Å
338D44.4Very low53.3Low158 Ų15870.1 Ų70.185%0.84538%0.383SS*.THydrogen-bonded Turntrans-69.556.9161.1-148.716.5000108.7R344D338-R344 IonicContact OD1-NH2 3.47Å
339S53.8Low53.2Low12 Ų1268.4 Ų68.48%0.08438%0.379CS..  trans-68.8140.5-174.269.60000107A334 N337 E341 R344A334-S339 WeakPolarHBondContact CA-OG 3.16Å; A334-S339 PolarHBondContact O-OG 3.43Å; N337-S339 PolarHBondContact O-N 2.93Å; S339-E341 PolarHBondContact O-N 3.12Å; S339-R344 WeakPolarHBondContact OG-CG 3.07Å
340S62.3Low52.8Low70 Ų7065.3 Ų65.349%0.4935%0.353SS..  trans-46.3140.4176.357.40000109.6L342 K343 R344S340-L342 CarbonylContact O-C 3.37Å; S340-L342 PolarHBondContact O-N 2.87Å; S340-K343 WeakPolarHBondContact O-CA 3.47Å; S340-K343 WeakPolarHBondContact O-CB 3.28Å; S340-K343 PolarHBondContact O-N 3.28Å; S340-R344 PolarHBondContact O-N 2.81Å
341E55.6Low52.7Low154 Ų15465 Ų6572%0.7235%0.35SS*.Hα-helixtrans-41.3-37.2175.9-172.2178.9-17800112.6S339 K343 R344 M345S339-E341 PolarHBondContact O-N 3.12Å; E341-K343 PolarHBondContact O-N 3.2Å; E341-R344 PolarHBondContact O-N 2.75Å; E341-M345 HydrophobicContact CG-SD 4.27Å; E341-M345 WeakPolarHBondContact O-CB 3.17Å; E341-M345 WeakPolarHBondContact O-CG 3.31Å; E341-M345 PolarHBondContact O-N 3.45Å
342L53.5Low52.8Low81 Ų8168.1 Ų68.142%0.42436%0.363SS..Hα-helixtrans-57.2-43.9174.3-160.376.4000114.6S340 D346S340-L342 CarbonylContact O-C 3.37Å; S340-L342 PolarHBondContact O-N 2.87Å; L342-D346 VanDerWaalsContact O-CB 3.31Å; L342-D346 WeakPolarHBondContact O-CB 3.36Å; L342-D346 PolarHBondContact O-N 2.75Å
343K53.9Low52.7Low86 Ų8664.5 Ų64.537%0.37435%0.348SS..Hα-helixtrans-68.2-39.6176.7-81.6-170.5166.2-160.70111.3E333 S340 E341 D346 A347E333-K343 IonicContact OE1-NZ 3.89Å; E333-K343 PolarHBondContact OE1-NZ 3.42Å; S340-K343 WeakPolarHBondContact O-CA 3.47Å; S340-K343 WeakPolarHBondContact O-CB 3.28Å; S340-K343 PolarHBondContact O-N 3.28Å; E341-K343 PolarHBondContact O-N 3.2Å; K343-D346 PolarHBondContact O-N 3.11Å; K343-A347 WeakPolarHBondContact O-CB 3.26Å; K343-A347 PolarHBondContact O-N 2.97Å
344R53.7Low52.7Low111 Ų11160.6 Ų60.642%0.41933%0.33SS..Hα-helixtrans-63-47174-69.9-173.3172.21626.1111.4A334 D338 S339 S340 E341 D346 A347 V348A334-R344 HydrophobicContact CB-CG 4.31Å; A334-R344 PolarHBondContact O-NE 3.35Å; D338-R344 IonicContact OD1-NH2 3.47Å; S339-R344 WeakPolarHBondContact OG-CG 3.07Å; S340-R344 PolarHBondContact O-N 2.81Å; E341-R344 PolarHBondContact O-N 2.75Å; R344-D346 PolarHBondContact O-N 3.28Å; R344-A347 PolarHBondContact O-N 3.28Å; R344-V348 WeakPolarHBondContact O-CB 3.5Å; R344-V348 VanDerWaalsContact O-CG2 3.25Å; R344-V348 WeakPolarHBondContact O-CG2 3.04Å; R344-V348 PolarHBondContact O-N 2.93Å
345M52.4Low53Low67 Ų6761.9 Ų61.933%0.3334%0.336SS..Hα-helixtrans-60.5-44.6176.4-73.8179.767.500112.1E341 V348 Q349E341-M345 HydrophobicContact CG-SD 4.27Å; E341-M345 WeakPolarHBondContact O-CB 3.17Å; E341-M345 WeakPolarHBondContact O-CG 3.31Å; E341-M345 PolarHBondContact O-N 3.45Å; M345-V348 PolarHBondContact O-N 3.27Å; M345-Q349 WeakPolarHBondContact O-CB 3.47Å; M345-Q349 VanDerWaalsContact O-CG 3.25Å; M345-Q349 WeakPolarHBondContact O-CG 3.48Å; M345-Q349 PolarHBondContact O-N 3.1Å
346D52.6Low53.3Low26 Ų2659.3 Ų59.314%0.13932%0.319CS..Hα-helixtrans-65-40.8178.7179.457.3000112.3S234 A235 T236 L342 K343 R344 Q349 A350S234-D346 VanDerWaalsContact CA-OD2 3.3Å; S234-D346 WeakPolarHBondContact CA-OD2 3.49Å; S234-D346 WeakPolarHBondContact CB-OD1 3.42Å; S234-D346 WeakPolarHBondContact CB-OD2 2.66Å; S234-D346 PolarHBondContact OG-OD1 3.27Å; S234-D346 PolarHBondContact OG-OD2 3.48Å; A235-D346 WeakPolarHBondContact CB-OD2 2.92Å; A235-D346 PolarHBondContact N-OD2 3.26Å; T236-D346 WeakPolarHBondContact CB-OD1 3.42Å; T236-D346 PolarHBondContact N-OD1 3.39Å; T236-D346 PolarHBondContact OG1-O 2.91Å; T236-D346 VanDerWaalsContact OG1-O 3.11Å; T236-D346 PolarHBondContact OG1-OD1 3.03Å; L342-D346 VanDerWaalsContact O-CB 3.31Å; L342-D346 WeakPolarHBondContact O-CB 3.36Å; L342-D346 PolarHBondContact O-N 2.75Å; K343-D346 PolarHBondContact O-N 3.11Å; R344-D346 PolarHBondContact O-N 3.28Å; D346-Q349 PolarHBondContact O-N 2.78Å; D346-A350 WeakPolarHBondContact O-CB 3.3Å; D346-A350 PolarHBondContact O-N 2.95Å
347A52.2Low53.5Low3 Ų356 Ų563%0.02529%0.29CS..Hα-helixtrans-65.5-42174.500000112.5L331 A334 K343 R344 A350 A351L331-A347 HydrophobicContact CD2-CB 4.31Å; L331-A347 HydrophobicContact CG-CB 4.4Å; A334-A347 HydrophobicContact CB-CB 3.63Å; K343-A347 WeakPolarHBondContact O-CB 3.26Å; K343-A347 PolarHBondContact O-N 2.97Å; R344-A347 PolarHBondContact O-N 3.28Å; A347-A350 WeakPolarHBondContact O-CB 2.81Å; A347-A350 PolarHBondContact O-N 3.08Å; A347-A351 PolarHBondContact O-N 2.82Å
348V51.8Low54Low68 Ų6851.9 Ų51.941%0.41227%0.268SS..Hα-helixtrans-63.4-43.2175.6169.20000110.8R344 M345 A350 A351 F352R344-V348 WeakPolarHBondContact O-CB 3.5Å; R344-V348 VanDerWaalsContact O-CG2 3.25Å; R344-V348 WeakPolarHBondContact O-CG2 3.04Å; R344-V348 PolarHBondContact O-N 2.93Å; M345-V348 PolarHBondContact O-N 3.27Å; V348-A350 PolarHBondContact O-N 3.11Å; V348-A351 WeakPolarHBondContact O-CB 3.4Å; V348-A351 PolarHBondContact O-N 3.42Å; V348-F352 HydrophobicContact CG1-CD2 3.61Å; V348-F352 HydrophobicContact CG1-CE2 3.48Å; V348-F352 VanDerWaalsContact CG1-CE2 3.48Å; V348-F352 WeakPolarHBondContact O-CD2 3.26Å; V348-F352 PolarHBondContact O-N 3.37Å
349Q54.1Low54.6Low62 Ų6245.7 Ų45.729%0.2923%0.234SC..Hα-helixtrans-61-43.2175.3-77.7174.70.100112.2M345 D346 A351 F352 A353M345-Q349 WeakPolarHBondContact O-CB 3.47Å; M345-Q349 VanDerWaalsContact O-CG 3.25Å; M345-Q349 WeakPolarHBondContact O-CG 3.48Å; M345-Q349 PolarHBondContact O-N 3.1Å; D346-Q349 PolarHBondContact O-N 2.78Å; Q349-A351 VanDerWaalsContact C-N 3.32Å; Q349-A351 PolarHBondContact O-N 3.35Å; Q349-F352 PolarHBondContact O-N 3.43Å; Q349-A353 WeakPolarHBondContact O-CB 3.36Å; Q349-A353 PolarHBondContact O-N 3.24Å
350A53.7Low54.5Low0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-60.3-41.9175.800000111.8A235 V239 D346 A347 V348 A353 A354A235-A350 HydrophobicContact CB-CB 3.92Å; V239-A350 HydrophobicContact CB-CB 4.33Å; V239-A350 HydrophobicContact CG2-CB 3.88Å; D346-A350 WeakPolarHBondContact O-CB 3.3Å; D346-A350 PolarHBondContact O-N 2.95Å; A347-A350 WeakPolarHBondContact O-CB 2.81Å; A347-A350 PolarHBondContact O-N 3.08Å; V348-A350 PolarHBondContact O-N 3.11Å; A350-A353 PolarHBondContact O-N 2.86Å; A350-A354 PolarHBondContact O-N 3.45Å; A350-A354 VanDerWaalsContact O-N 3.11Å
351A54.3Low54Low10 Ų1044.2 Ų44.28%0.08323%0.227CC..Hα-helixtrans-61-48.5173.900000111.6V327 L331 A347 V348 Q349 A353 A354 L355V327-A351 HydrophobicContact CG1-CB 4.27Å; L331-A351 HydrophobicContact CD1-CB 3.85Å; L331-A351 HydrophobicContact CD2-CB 4.38Å; A347-A351 PolarHBondContact O-N 2.82Å; V348-A351 WeakPolarHBondContact O-CB 3.4Å; V348-A351 PolarHBondContact O-N 3.42Å; Q349-A351 VanDerWaalsContact C-N 3.32Å; Q349-A351 PolarHBondContact O-N 3.35Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.45Å; A351-A354 PolarHBondContact O-N 3Å; A351-L355 VanDerWaalsContact O-CG 3.31Å; A351-L355 WeakPolarHBondContact O-CG 3.33Å; A351-L355 PolarHBondContact O-N 3.4Å
352F53.6Low53.9Low82 Ų8239.2 Ų39.236%0.3621%0.205SC..Hα-helixtrans-62-38.9178.2-86.8-68000113.1M32 V348 Q349 L355 S356M32-F352 HydrophobicContact CG-CE1 4.47Å; M32-F352 HydrophobicContact CG-CZ 4.37Å; M32-F352 HydrophobicContact SD-CE1 4.49Å; M32-F352 HydrophobicContact SD-CZ 4.44Å; V348-F352 HydrophobicContact CG1-CD2 3.61Å; V348-F352 HydrophobicContact CG1-CE2 3.48Å; V348-F352 VanDerWaalsContact CG1-CE2 3.48Å; V348-F352 WeakPolarHBondContact O-CD2 3.26Å; V348-F352 PolarHBondContact O-N 3.37Å; Q349-F352 PolarHBondContact O-N 3.43Å; F352-L355 PolarHBondContact O-N 2.92Å; F352-S356 VanDerWaalsContact O-CB 3.27Å; F352-S356 WeakPolarHBondContact O-CB 3.49Å; F352-S356 PolarHBondContact O-N 3.44Å; F352-S356 PolarHBondContact O-OG 3.39Å
353A54.6Low53.7Low17 Ų1737.3 Ų37.314%0.1420%0.195CC..Hα-helixtrans-62.1-45.6176.100000111F205 Q349 A350 A351 F357F205-A353 HydrophobicContact CZ-CB 4.25Å; Q349-A353 WeakPolarHBondContact O-CB 3.36Å; Q349-A353 PolarHBondContact O-N 3.24Å; A350-A353 PolarHBondContact O-N 2.86Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.45Å; A353-F357 WeakPolarHBondContact O-CB 3.32Å; A353-F357 PolarHBondContact O-N 3.37Å; A353-F357 VanDerWaalsContact O-N 3.11Å
354A56.1Low53.7Low7 Ų735.8 Ų35.86%0.05819%0.187CC..Hα-helixtrans-61.4-51.9175.500000111.4V327 A350 A351 S356 F357 F358V327-A354 HydrophobicContact CG2-CB 4.24Å; A350-A354 PolarHBondContact O-N 3.45Å; A350-A354 VanDerWaalsContact O-N 3.11Å; A351-A354 PolarHBondContact O-N 3Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 3.05Å; A354-F357 WeakPolarHBondContact O-CB 3.27Å; A354-F357 PolarHBondContact O-N 2.83Å; A354-F358 HydrophobicContact CB-CE2 4.13Å; A354-F358 WeakPolarHBondContact O-CD2 3.38Å; A354-F358 WeakPolarHBondContact O-CE2 3.18Å; A354-F358 PolarHBondContact O-N 3.2Å; A354-F358 VanDerWaalsContact O-N 3.11Å
355L54.3Low53.4Low34 Ų3433.8 Ų33.818%0.17818%0.181CC..Hα-helixtrans-57.5-44178.8-69.1177.1000112.8V302 Y306 A351 F352 F357 F358 Q359V302-L355 HydrophobicContact CG1-CD1 3.97Å; Y306-L355 HydrophobicContact CD1-CD2 3.11Å; Y306-L355 HydrophobicContact CE1-CD2 3.22Å; Y306-L355 HydrophobicContact CG-CD2 3.86Å; A351-L355 VanDerWaalsContact O-CG 3.31Å; A351-L355 WeakPolarHBondContact O-CG 3.33Å; A351-L355 PolarHBondContact O-N 3.4Å; F352-L355 PolarHBondContact O-N 2.92Å; L355-F357 VanDerWaalsContact C-N 3.32Å; L355-F357 PolarHBondContact O-N 3.07Å; L355-F358 PolarHBondContact O-N 3.48Å; L355-Q359 WeakPolarHBondContact O-CB 3.46Å; L355-Q359 PolarHBondContact O-N 3.01Å
356S53Low53Low32 Ų3234.4 Ų34.422%0.22419%0.186CC..Hα-helixtrans-64.2-39.1-180-60.30000111.7F352 A354 A360F352-S356 VanDerWaalsContact O-CB 3.27Å; F352-S356 WeakPolarHBondContact O-CB 3.49Å; F352-S356 PolarHBondContact O-N 3.44Å; F352-S356 PolarHBondContact O-OG 3.39Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 3.05Å; S356-A360 WeakPolarHBondContact O-CB 3.3Å; S356-A360 PolarHBondContact O-N 3.29Å
357F56.7Low52.8Low7 Ų739.2 Ų39.23%0.03120%0.202CC..Hα-helixtrans-61.6-48.4174.7170-99.4000111.8L193 F197 L243 F247 F248 A353 A354 L355 Q359 A360 A361L193-F357 HydrophobicContact CD2-CE2 4.27Å; F197-F357 AromaticContact CD2-CD2 3.99Å; F197-F357 HydrophobicContact CD2-CD2 3.99Å; F197-F357 HydrophobicContact CD2-CE2 4.31Å; F197-F357 HydrophobicContact CE2-CD2 4.36Å; L243-F357 HydrophobicContact CD2-CD1 4.19Å; L243-F357 HydrophobicContact CD2-CE1 4.37Å; F247-F357 HydrophobicContact CD1-CE2 4.12Å; F247-F357 AromaticContact CD1-CZ 3.64Å; F247-F357 HydrophobicContact CD1-CZ 3.64Å; F247-F357 HydrophobicContact CD2-CE1 4.2Å; F247-F357 AromaticContact CD2-CZ 3.86Å; F247-F357 HydrophobicContact CD2-CZ 3.86Å; F247-F357 HydrophobicContact CE1-CE2 4.06Å; F247-F357 AromaticContact CE1-CZ 3.51Å; F247-F357 HydrophobicContact CE1-CZ 3.51Å; F247-F357 HydrophobicContact CE2-CE1 4.11Å; F247-F357 AromaticContact CE2-CZ 3.72Å; F247-F357 HydrophobicContact CE2-CZ 3.72Å; F247-F357 HydrophobicContact CG-CE1 4.48Å; F247-F357 AromaticContact CG-CZ 3.82Å; F247-F357 HydrophobicContact CG-CZ 3.82Å; F247-F357 HydrophobicContact CZ-CE1 4.34Å; F247-F357 HydrophobicContact CZ-CE2 4.48Å; F247-F357 AromaticContact CZ-CZ 3.55Å; F247-F357 HydrophobicContact CZ-CZ 3.55Å; F248-F357 HydrophobicContact CE2-CE2 4.25Å; F248-F357 AromaticContact CZ-CE2 3.84Å; F248-F357 HydrophobicContact CZ-CE2 3.84Å; A353-F357 WeakPolarHBondContact O-CB 3.32Å; A353-F357 PolarHBondContact O-N 3.37Å; A353-F357 VanDerWaalsContact O-N 3.11Å; A354-F357 WeakPolarHBondContact O-CB 3.27Å; A354-F357 PolarHBondContact O-N 2.83Å; L355-F357 VanDerWaalsContact C-N 3.32Å; L355-F357 PolarHBondContact O-N 3.07Å; F357-Q359 PolarHBondContact O-N 2.85Å; F357-A360 PolarHBondContact O-N 2.96Å; F357-A361 PolarHBondContact O-N 3.21Å; F357-A361 VanDerWaalsContact O-N 3.1Å
358F58.3Low52.3Low2 Ų240.8 Ų40.81%0.00921%0.209CC..Hα-helixtrans-65.9-39.8178.6-65-63.1000112.6L262 Y306 V310 F314 A354 L355 A360 A361 I362L262-F358 HydrophobicContact CD1-CD1 4.33Å; L262-F358 HydrophobicContact CD1-CE1 4.2Å; L262-F358 HydrophobicContact CD2-CD1 3.91Å; L262-F358 HydrophobicContact CD2-CE1 3.92Å; Y306-F358 HydrophobicContact CE1-CB 4.21Å; Y306-F358 HydrophobicContact CE1-CD2 4.01Å; Y306-F358 HydrophobicContact CE1-CG 4.36Å; Y306-F358 WeakPolarHBondContact OH-CB 3.34Å; V310-F358 HydrophobicContact CB-CE2 4.1Å; V310-F358 HydrophobicContact CB-CZ 4.24Å; V310-F358 HydrophobicContact CG1-CD2 4.29Å; V310-F358 HydrophobicContact CG1-CE1 4.17Å; V310-F358 HydrophobicContact CG1-CE2 3.35Å; V310-F358 HydrophobicContact CG1-CZ 3.29Å; V310-F358 HydrophobicContact CG2-CD1 4.4Å; V310-F358 HydrophobicContact CG2-CD2 3.63Å; V310-F358 HydrophobicContact CG2-CE1 4.31Å; V310-F358 HydrophobicContact CG2-CE2 3.55Å; V310-F358 HydrophobicContact CG2-CG 4.12Å; V310-F358 HydrophobicContact CG2-CZ 3.93Å; F314-F358 HydrophobicContact CD2-CZ 4.46Å; F314-F358 AromaticContact CE2-CE1 3.69Å; F314-F358 HydrophobicContact CE2-CE1 3.69Å; F314-F358 AromaticContact CE2-CZ 3.5Å; F314-F358 HydrophobicContact CE2-CZ 3.5Å; F314-F358 HydrophobicContact CZ-CE1 4.32Å; F314-F358 HydrophobicContact CZ-CZ 4.18Å; A354-F358 HydrophobicContact CB-CE2 4.13Å; A354-F358 WeakPolarHBondContact O-CD2 3.38Å; A354-F358 WeakPolarHBondContact O-CE2 3.18Å; A354-F358 PolarHBondContact O-N 3.2Å; A354-F358 VanDerWaalsContact O-N 3.11Å; L355-F358 PolarHBondContact O-N 3.48Å; F358-A360 VanDerWaalsContact C-N 3.35Å; F358-A360 PolarHBondContact O-N 2.81Å; F358-A361 WeakPolarHBondContact O-CB 3.37Å; F358-A361 PolarHBondContact O-N 3.17Å; F358-I362 VanDerWaalsContact O-CG1 3.32Å; F358-I362 WeakPolarHBondContact O-CG1 3.29Å; F358-I362 PolarHBondContact O-N 3.12Å
359Q55.1Low51.8Low28 Ų2839 Ų3913%0.13120%0.199CC..Hα-helixtrans-65.3-38.6176.3-17262.448.700112.4W27 L355 F357 A361 I362 D363W27-Q359 HydrophobicContact CB-CG 3.82Å; W27-Q359 HydrophobicContact CD2-CG 4.32Å; W27-Q359 HydrophobicContact CE3-CG 3.93Å; W27-Q359 HydrophobicContact CG-CG 4.33Å; L355-Q359 WeakPolarHBondContact O-CB 3.46Å; L355-Q359 PolarHBondContact O-N 3.01Å; F357-Q359 PolarHBondContact O-N 2.85Å; Q359-A361 VanDerWaalsContact C-N 3.28Å; Q359-A361 PolarHBondContact O-N 3.15Å; Q359-I362 PolarHBondContact O-N 2.89Å; Q359-D363 PolarHBondContact NE2-OD1 3.34Å; Q359-D363 WeakPolarHBondContact O-CB 3.01Å; Q359-D363 PolarHBondContact O-N 3.47Å
360A53.4Low51.1Low36 Ų3640.3 Ų40.330%0.29821%0.205SC..Hα-helixtrans-61.5-39.7174.400000111.5S356 F357 F358 R364S356-A360 WeakPolarHBondContact O-CB 3.3Å; S356-A360 PolarHBondContact O-N 3.29Å; F357-A360 PolarHBondContact O-N 2.96Å; F358-A360 VanDerWaalsContact C-N 3.35Å; F358-A360 PolarHBondContact O-N 2.81Å; A360-R364 WeakPolarHBondContact O-CB 3.31Å; A360-R364 VanDerWaalsContact O-CG 3.3Å; A360-R364 WeakPolarHBondContact O-CG 3.44Å; A360-R364 PolarHBondContact O-N 3.31Å; A360-R364 VanDerWaalsContact O-N 3.16Å
361A52.1Low50.4Low15 Ų1543.5 Ų43.512%0.12423%0.231CC..Hα-helixtrans-61.2-48.1172.300000111.1F357 F358 Q359 R364 F365F357-A361 PolarHBondContact O-N 3.21Å; F357-A361 VanDerWaalsContact O-N 3.1Å; F358-A361 WeakPolarHBondContact O-CB 3.37Å; F358-A361 PolarHBondContact O-N 3.17Å; Q359-A361 VanDerWaalsContact C-N 3.28Å; Q359-A361 PolarHBondContact O-N 3.15Å; A361-R364 PolarHBondContact O-N 2.67Å; A361-F365 VanDerWaalsContact O-CD2 3.3Å; A361-F365 WeakPolarHBondContact O-CD2 3.47Å; A361-F365 PolarHBondContact O-N 3.49Å
362I51.5Low49.9Very low50 Ų5048 Ų4826%0.25625%0.254SS..Hα-helixtrans-58.3-51.2177.8-65.2165.1000111.6F266 F358 Q359 R364 F365 D366F266-I362 HydrophobicContact CD1-CD1 4.41Å; F266-I362 HydrophobicContact CE1-CD1 3.59Å; F266-I362 HydrophobicContact CE1-CG1 4.11Å; F266-I362 HydrophobicContact CE2-CD1 4.48Å; F266-I362 HydrophobicContact CE2-CG1 4.28Å; F266-I362 HydrophobicContact CZ-CD1 3.65Å; F266-I362 HydrophobicContact CZ-CG1 3.93Å; F358-I362 VanDerWaalsContact O-CG1 3.32Å; F358-I362 WeakPolarHBondContact O-CG1 3.29Å; F358-I362 PolarHBondContact O-N 3.12Å; Q359-I362 PolarHBondContact O-N 2.89Å; I362-R364 PolarHBondContact O-N 3.12Å; I362-F365 PolarHBondContact O-N 3.35Å; I362-F365 VanDerWaalsContact O-N 3.13Å; I362-D366 PolarHBondContact O-N 3.21Å
363D50.3Low49.2Very low40 Ų4045 Ų4521%0.21424%0.243CC..Hα-helixtrans-63.3-29.5-177.1-75.9-2000112.5Q359 R367Q359-D363 PolarHBondContact NE2-OD1 3.34Å; Q359-D363 WeakPolarHBondContact O-CB 3.01Å; Q359-D363 PolarHBondContact O-N 3.47Å; D363-R367 WeakPolarHBondContact O-CG 3.31Å; D363-R367 PolarHBondContact O-N 3.44Å; D363-R367 PolarHBondContact O-NE 3.29Å; D363-R367 VanDerWaalsContact O-NE 3.08Å
364R53.1Low48.7Very low54 Ų5448.1 Ų48.120%0.20426%0.261CS..Hα-helixtrans-76-40.7174.9-74.3-73.8-176.6178.3-1.4111.2E192 D196 A360 A361 I362 R367 F368E192-R364 IonicContact OE2-CZ 3.22Å; E192-R364 IonicContact OE2-NE 2.8Å; E192-R364 IonicContact OE2-NH1 2.73Å; E192-R364 PolarHBondContact OE2-NH1 3.44Å; D196-R364 IonicContact OD1-NH2 3.89Å; D196-R364 PolarHBondContact OD1-NH2 2.81Å; D196-R364 IonicContact OD2-CZ 3.08Å; D196-R364 VanDerWaalsContact OD2-CZ 3.25Å; D196-R364 IonicContact OD2-NE 3.45Å; D196-R364 PolarHBondContact OD2-NE 2.56Å; D196-R364 IonicContact OD2-NH2 3.74Å; D196-R364 PolarHBondContact OD2-NH2 3.19Å; A360-R364 WeakPolarHBondContact O-CB 3.31Å; A360-R364 VanDerWaalsContact O-CG 3.3Å; A360-R364 WeakPolarHBondContact O-CG 3.44Å; A360-R364 PolarHBondContact O-N 3.31Å; A360-R364 VanDerWaalsContact O-N 3.16Å; A361-R364 PolarHBondContact O-N 2.67Å; I362-R364 PolarHBondContact O-N 3.12Å; R364-R367 PolarHBondContact O-N 3.12Å; R364-F368 WeakPolarHBondContact O-CB 3.19Å; R364-F368 PolarHBondContact O-N 3.42Å
365F47.7Very low48.2Very low70 Ų7051.5 Ų51.531%0.30728%0.276SS..Hα-helixtrans-63.4-41.1173-91.5-75.6000112.6A361 I362 F368 C369A361-F365 VanDerWaalsContact O-CD2 3.3Å; A361-F365 WeakPolarHBondContact O-CD2 3.47Å; A361-F365 PolarHBondContact O-N 3.49Å; I362-F365 PolarHBondContact O-N 3.35Å; I362-F365 VanDerWaalsContact O-N 3.13Å; F365-F368 WeakPolarHBondContact O-CB 3.48Å; F365-F368 PolarHBondContact O-N 3.41Å; F365-C369 PolarHBondContact O-N 3.48Å; F365-C369 PolarHBondContact O-SG 3.22Å; F365-C369 VanDerWaalsContact O-SG 3.35Å
366D45.4Very low47.8Very low79 Ų7955.6 Ų55.642%0.42230%0.298SS..Hα-helixtrans-62-45.8175.9-176.742.7000111.4I362 F368 C369 Q370I362-D366 PolarHBondContact O-N 3.21Å; D366-F368 VanDerWaalsContact C-N 3.33Å; D366-F368 PolarHBondContact O-N 3.48Å; D366-C369 WeakPolarHBondContact O-CB 3.4Å; D366-C369 PolarHBondContact O-N 3.14Å; D366-Q370 VanDerWaalsContact O-CG 3.3Å; D366-Q370 WeakPolarHBondContact O-CG 3.13Å; D366-Q370 PolarHBondContact O-N 3.46Å; D366-Q370 PolarHBondContact OD1-NE2 2.95Å; D366-Q370 PolarHBondContact OD2-NE2 3.44Å
367R47.8Very low47.6Very low127 Ų12756.4 Ų56.448%0.47931%0.307SS..Hα-helixtrans-61.8-39.4174.3-79.2-177.3-82.3-170.4-3112.9D363 R364 C369 Q370 A371D363-R367 WeakPolarHBondContact O-CG 3.31Å; D363-R367 PolarHBondContact O-N 3.44Å; D363-R367 PolarHBondContact O-NE 3.29Å; D363-R367 VanDerWaalsContact O-NE 3.08Å; R364-R367 PolarHBondContact O-N 3.12Å; R367-C369 VanDerWaalsContact C-N 3.33Å; R367-Q370 PolarHBondContact O-N 3.18Å; R367-A371 PolarHBondContact O-N 2.74Å; R367-A371 VanDerWaalsContact O-N 3.1Å
368F42Very low47Very low37 Ų3759 Ų5916%0.16232%0.321CS..Hα-helixtrans-61.7-40.9175.1174-97.6000112.2R179 V185 L189 R364 F365 D366R179-F368 HydrophobicContact CB-CE1 4.44Å; R179-F368 HydrophobicContact CB-CZ 3.92Å; R179-F368 VanDerWaalsContact CD-CZ 3.49Å; R179-F368 HydrophobicContact CG-CE2 4.32Å; R179-F368 HydrophobicContact CG-CZ 3.74Å; V185-F368 HydrophobicContact CG1-CD2 4.36Å; V185-F368 HydrophobicContact CG1-CE2 3.31Å; V185-F368 HydrophobicContact CG1-CZ 3.49Å; V185-F368 VanDerWaalsContact CG1-CZ 3.49Å; L189-F368 HydrophobicContact CD1-CD2 3.98Å; L189-F368 HydrophobicContact CD1-CE2 4.12Å; L189-F368 HydrophobicContact CD1-CG 4.36Å; R364-F368 WeakPolarHBondContact O-CB 3.19Å; R364-F368 PolarHBondContact O-N 3.42Å; F365-F368 WeakPolarHBondContact O-CB 3.48Å; F365-F368 PolarHBondContact O-N 3.41Å; D366-F368 VanDerWaalsContact C-N 3.33Å; D366-F368 PolarHBondContact O-N 3.48Å
369C40.5Very low46.4Very low30 Ų3062.3 Ų62.320%0.20334%0.338CS..Hα-helixtrans-67.8-37.3174.7-71.80000112.4F172 F365 D366 R367 C373F172-C369 HydrophobicContact CE2-CB 4.08Å; F172-C369 HydrophobicContact CZ-CB 4.25Å; F365-C369 PolarHBondContact O-N 3.48Å; F365-C369 PolarHBondContact O-SG 3.22Å; F365-C369 VanDerWaalsContact O-SG 3.35Å; D366-C369 WeakPolarHBondContact O-CB 3.4Å; D366-C369 PolarHBondContact O-N 3.14Å; R367-C369 VanDerWaalsContact C-N 3.33Å; C369-C373 WeakPolarHBondContact O-CB 3.49Å; C369-C373 PolarHBondContact O-SG 3.48Å
370Q39Very low46.2Very low90 Ų9066.9 Ų66.942%0.42136%0.359SS..Hα-helixtrans-73.7-28.5-178-73.7170.417.700114.3D366 R367 D372D366-Q370 VanDerWaalsContact O-CG 3.3Å; D366-Q370 WeakPolarHBondContact O-CG 3.13Å; D366-Q370 PolarHBondContact O-N 3.46Å; D366-Q370 PolarHBondContact OD1-NE2 2.95Å; D366-Q370 PolarHBondContact OD2-NE2 3.44Å; R367-Q370 PolarHBondContact O-N 3.18Å; Q370-D372 PolarHBondContact O-N 3.5Å
371A38.7Very low46Very low66 Ų6667.6 Ų67.655%0.54536%0.357SS..THydrogen-bonded Turntrans-64.6-31.5-168.400000114.9R367R367-A371 PolarHBondContact O-N 2.74Å; R367-A371 VanDerWaalsContact O-N 3.1Å
372D44.2Very low45.6Very low105 Ų10571.3 Ų71.356%0.56138%0.375SS*.THydrogen-bonded Turntrans-147.99.8179.7-53.9-90.2000115.1R179 Q370R179-D372 IonicContact CZ-OD2 3.12Å; R179-D372 VanDerWaalsContact NH1-CB 3.32Å; R179-D372 IonicContact NH1-OD2 2.78Å; R179-D372 PolarHBondContact NH1-OD2 3.38Å; R179-D372 IonicContact NH2-OD2 2.61Å; R179-D372 PolarHBondContact NH2-OD2 2.98Å; Q370-D372 PolarHBondContact O-N 3.5Å
373C40.6Very low45.6Very low19 Ų1976.1 Ų76.113%0.12839%0.394CS..SBendtrans-75.3140.4165.6-67.10000108.2C369 H375C369-C373 WeakPolarHBondContact O-CB 3.49Å; C369-C373 PolarHBondContact O-SG 3.48Å; C373-H375 PolarHBondContact O-N 3.29Å
374P43Very low45.7Very low82 Ų8279.8 Ų79.853%0.53241%0.414SS..  trans-70.375.1178.129.9-33.8000109.9D376 A377P374-D376 PolarHBondContact O-N 3.39Å; P374-A377 HydrophobicContact CB-CB 4.41Å; P374-A377 WeakPolarHBondContact O-CB 3.2Å; P374-A377 PolarHBondContact O-N 2.61Å; P374-A377 VanDerWaalsContact O-N 3.12Å
375H45.8Very low45.4Very low79 Ų7981.1 Ų81.137%0.36643%0.428SS..Hα-helixtrans-65-24.6-179.8-147.7-63.4000110.7C373 L378 L379C373-H375 PolarHBondContact O-N 3.29Å; H375-L378 WeakPolarHBondContact O-CB 3.35Å; H375-L378 PolarHBondContact O-N 2.78Å; H375-L379 WeakPolarHBondContact O-CB 3.43Å; H375-L379 VanDerWaalsContact O-CG 3.25Å; H375-L379 WeakPolarHBondContact O-CG 3.41Å; H375-L379 PolarHBondContact O-N 2.65Å
376D46.2Very low45.3Very low120 Ų12087 Ų8764%0.64245%0.453SS*.Hα-helixtrans-63.9-36.7172.9-82.1-28.6000112.8P374 L378 L379 Q380P374-D376 PolarHBondContact O-N 3.39Å; D376-L378 VanDerWaalsContact C-N 3.34Å; D376-L379 PolarHBondContact O-N 3.35Å; D376-Q380 VanDerWaalsContact O-CB 3.32Å; D376-Q380 WeakPolarHBondContact O-CB 3.42Å; D376-Q380 VanDerWaalsContact O-CG 3.3Å; D376-Q380 WeakPolarHBondContact O-CG 3.25Å; D376-Q380 PolarHBondContact O-N 3.44Å
377A48.5Very low45.2Very low49 Ų4986.5 Ų86.541%0.40547%0.467SS..Hα-helixtrans-66-41.7174.400000110.3P374 Q380 I381P374-A377 HydrophobicContact CB-CB 4.41Å; P374-A377 WeakPolarHBondContact O-CB 3.2Å; P374-A377 PolarHBondContact O-N 2.61Å; P374-A377 VanDerWaalsContact O-N 3.12Å; A377-Q380 PolarHBondContact O-N 3.24Å; A377-I381 WeakPolarHBondContact O-CB 3.45Å; A377-I381 WeakPolarHBondContact O-CD1 3.48Å; A377-I381 WeakPolarHBondContact O-CG1 3.48Å; A377-I381 PolarHBondContact O-N 2.96Å
378L43.2Very low44.5Very low62 Ų6291.7 Ų91.733%0.32549%0.492SS..Hα-helixtrans-63.3-45.9175.1-149.1105.3000111.5T168 H375 D376 I381 L382T168-L378 HydrophobicContact CG2-CD1 3.77Å; H375-L378 WeakPolarHBondContact O-CB 3.35Å; H375-L378 PolarHBondContact O-N 2.78Å; D376-L378 VanDerWaalsContact C-N 3.34Å; L378-I381 PolarHBondContact O-N 2.92Å; L378-L382 HydrophobicContact CD2-CD1 4.05Å; L378-L382 HydrophobicContact CG-CD1 4.47Å; L378-L382 WeakPolarHBondContact O-CB 3.33Å; L378-L382 WeakPolarHBondContact O-CG 3.28Å; L378-L382 PolarHBondContact O-N 2.92Å
379L46.5Very low44.7Very low71 Ų7194.4 Ų94.437%0.37251%0.509SS..Hα-helixtrans-67.6-36.3179.2-76165.7000112.3H375 D376 K383H375-L379 WeakPolarHBondContact O-CB 3.43Å; H375-L379 VanDerWaalsContact O-CG 3.25Å; H375-L379 WeakPolarHBondContact O-CG 3.41Å; H375-L379 PolarHBondContact O-N 2.65Å; D376-L379 PolarHBondContact O-N 3.35Å; L379-K383 VanDerWaalsContact O-CB 3.31Å; L379-K383 WeakPolarHBondContact O-CB 3.3Å; L379-K383 WeakPolarHBondContact O-CG 3.44Å; L379-K383 PolarHBondContact O-N 2.95Å
380Q50.4Low44.9Very low124 Ų12497.8 Ų97.858%0.57953%0.525SS*.Hα-helixtrans-68.9-40.8174.5-77.7-165.616.100111.8D376 A377 L382 K383 N384D376-Q380 VanDerWaalsContact O-CB 3.32Å; D376-Q380 WeakPolarHBondContact O-CB 3.42Å; D376-Q380 VanDerWaalsContact O-CG 3.3Å; D376-Q380 WeakPolarHBondContact O-CG 3.25Å; D376-Q380 PolarHBondContact O-N 3.44Å; A377-Q380 PolarHBondContact O-N 3.24Å; Q380-L382 VanDerWaalsContact C-N 3.34Å; Q380-K383 PolarHBondContact O-N 3.48Å; Q380-N384 WeakPolarHBondContact O-CB 3.2Å; Q380-N384 PolarHBondContact O-N 3.49Å; Q380-N384 PolarHBondContact O-ND2 2.94Å
381I48.8Very low45.2Very low50 Ų5098.2 Ų98.226%0.25653%0.531SS..Hα-helixtrans-65.2-40.4176.2-67.6166.9000110.6T168 A377 L378 N384 T385T168-I381 HydrophobicContact CG2-CD1 3.94Å; T168-I381 VanDerWaalsContact OG1-CD1 3.27Å; T168-I381 WeakPolarHBondContact OG1-CD1 3.42Å; A377-I381 WeakPolarHBondContact O-CB 3.45Å; A377-I381 WeakPolarHBondContact O-CD1 3.48Å; A377-I381 WeakPolarHBondContact O-CG1 3.48Å; A377-I381 PolarHBondContact O-N 2.96Å; L378-I381 PolarHBondContact O-N 2.92Å; I381-N384 PolarHBondContact O-N 2.97Å; I381-T385 PolarHBondContact O-N 2.7Å; I381-T385 VanDerWaalsContact O-N 3.16Å; I381-T385 PolarHBondContact O-OG1 3.17Å
382L44.8Very low45.6Very low93 Ų93100.1 Ų100.149%0.48753%0.53SS..Hα-helixtrans-68.2-34174.5-71.3169.5000113.4L378 Q380 T385 K386L378-L382 HydrophobicContact CD2-CD1 4.05Å; L378-L382 HydrophobicContact CG-CD1 4.47Å; L378-L382 WeakPolarHBondContact O-CB 3.33Å; L378-L382 WeakPolarHBondContact O-CG 3.28Å; L378-L382 PolarHBondContact O-N 2.92Å; Q380-L382 VanDerWaalsContact C-N 3.34Å; L382-T385 VanDerWaalsContact CA-OG1 3.3Å; L382-T385 WeakPolarHBondContact CA-OG1 3.31Å; L382-T385 PolarHBondContact O-OG1 3.36Å; L382-K386 PolarHBondContact O-N 3.31Å
383K51.1Low45.7Very low151 Ų15199.8 Ų99.866%0.65753%0.528SS*.Hα-helixtrans-69.5-38.7173-79.2172.2-179.4178.90111.6L379 Q380 T385 K386L379-K383 VanDerWaalsContact O-CB 3.31Å; L379-K383 WeakPolarHBondContact O-CB 3.3Å; L379-K383 WeakPolarHBondContact O-CG 3.44Å; L379-K383 PolarHBondContact O-N 2.95Å; Q380-K383 PolarHBondContact O-N 3.48Å; K383-T385 VanDerWaalsContact C-N 3.28Å; K383-T385 PolarHBondContact O-N 2.78Å; K383-K386 PolarHBondContact O-N 3.04Å
384N51.8Low46Very low118 Ų118105.2 Ų105.263%0.63156%0.555SS**Hα-helixtrans-74.8-16.5-179.7-69.1-18.2000113.5Q380 I381Q380-N384 WeakPolarHBondContact O-CB 3.2Å; Q380-N384 PolarHBondContact O-N 3.49Å; Q380-N384 PolarHBondContact O-ND2 2.94Å; I381-N384 PolarHBondContact O-N 2.97Å
385T48.4Very low46.2Very low81 Ų81106.9 Ų106.950%0.49756%0.556SS.*Hα-helixtrans-93.4-14175330000113.9I381 L382 K383I381-T385 PolarHBondContact O-N 2.7Å; I381-T385 VanDerWaalsContact O-N 3.16Å; I381-T385 PolarHBondContact O-OG1 3.17Å; L382-T385 VanDerWaalsContact CA-OG1 3.3Å; L382-T385 WeakPolarHBondContact CA-OG1 3.31Å; L382-T385 PolarHBondContact O-OG1 3.36Å; K383-T385 VanDerWaalsContact C-N 3.28Å; K383-T385 PolarHBondContact O-N 2.78Å
386K44.3Very low46.3Very low195 Ų195109 Ų10985%0.84857%0.571SS**SBendtrans-88.50.9173.8-81.5-171.9174.9-175.70114.6L382 K383L382-K386 PolarHBondContact O-N 3.31Å; K383-K386 PolarHBondContact O-N 3.04Å
387G43.6Very low46.3Very low68 Ų68108.1 Ų108.170%0.70157%0.565SS**  trans-114.714.1-174.900000115.7
388K33.9Very low46.1Very low235 Ų235113.5 Ų113.5100%1.02258%0.579SS**  trans-138.70173.4-71.2-175.8178.9-1800108.1

Retrieved 388 of 388 residues in 529.8 ms (Link to these results)

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