A0A087XD74_POEFO Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A087XD74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	T	86.8	Confident	97.7	Very high	15 Å²	15	9.5 Å²	9.5	9%	0.092	5%	0.048	C	C	.	.				0	-62.9	0	-46.8	0	0	0	0	115.5	K3 I4 C31 D150 G225 P226 D229	T1-K3 PolarHBondContact O-N 2.73Å; T1-I4 WeakPolarHBondContact O-CB 3.49Å; T1-I4 WeakPolarHBondContact O-CG1 3.42Å; T1-I4 PolarHBondContact O-N 2.65Å; T1-C31 VanDerWaalsContact CG2-SG 3.51Å; T1-D150 PolarHBondContact N-OD1 2.97Å; T1-G225 WeakPolarHBondContact OG1-CA 3.46Å; T1-G225 PolarHBondContact OG1-O 3.25Å; T1-P226 HydrophobicContact CG2-CB 4.27Å; T1-P226 HydrophobicContact CG2-CG 4.12Å; T1-D229 WeakPolarHBondContact CG2-O 3.41Å
2	D	97.9	Very high	97.8	Very high	15 Å²	15	8.8 Å²	8.8	8%	0.08	4%	0.044	C	C	.	.	H	α-helix	trans	-51.1	-36.3	-176	-62.1	-58.4	0	0	0	114.7	I4 C5 D6 G231 V232 R235 K236	D2-I4 PolarHBondContact O-N 2.94Å; D2-I4 VanDerWaalsContact O-N 3.16Å; D2-C5 WeakPolarHBondContact O-CA 3.37Å; D2-C5 VanDerWaalsContact O-CB 3.28Å; D2-C5 WeakPolarHBondContact O-CB 3.4Å; D2-C5 PolarHBondContact O-N 3.14Å; D2-D6 PolarHBondContact O-N 2.79Å; D2-G231 VanDerWaalsContact OD1-CA 3.31Å; D2-G231 WeakPolarHBondContact OD1-CA 3.49Å; D2-V232 PolarHBondContact OD1-N 3.32Å; D2-R235 HydrophobicContact CB-CB 4.24Å; D2-K236 HydrophobicContact CB-CG 3.72Å; D2-K236 WeakPolarHBondContact OD2-CE 3.48Å; D2-K236 IonicContact OD2-NZ 2.63Å; D2-K236 PolarHBondContact OD2-NZ 3.11Å
3	K	98.8	Very high	97.9	Very high	41 Å²	41	8.1 Å²	8.1	18%	0.178	4%	0.041	C	C	.	.	H	α-helix	trans	-63.6	-17.5	176.3	-76.5	-43.7	-162	175.3	0	115.3	T1 D6 Q7 K236 D240 A346	T1-K3 PolarHBondContact O-N 2.73Å; K3-D6 HydrophobicContact CD-CB 4.21Å; K3-D6 WeakPolarHBondContact CD-OD2 3.4Å; K3-D6 IonicContact NZ-OD2 2.79Å; K3-D6 PolarHBondContact NZ-OD2 2.84Å; K3-Q7 WeakPolarHBondContact O-CB 3.46Å; K3-Q7 WeakPolarHBondContact O-CG 3.48Å; K3-Q7 PolarHBondContact O-N 2.79Å; K3-Q7 PolarHBondContact O-NE2 2.9Å; K3-K236 HydrophobicContact CD-CB 4.19Å; K3-K236 HydrophobicContact CD-CG 4.34Å; K3-K236 HydrophobicContact CG-CG 4.5Å; K3-D240 VanDerWaalsContact CE-OD1 3.22Å; K3-D240 WeakPolarHBondContact CE-OD1 3.45Å; K3-D240 IonicContact NZ-OD1 3.62Å; K3-D240 PolarHBondContact NZ-OD1 2.94Å; K3-D240 IonicContact NZ-OD2 3.08Å; K3-D240 PolarHBondContact NZ-OD2 2.92Å; K3-A346 WeakPolarHBondContact CD-O 3.43Å; K3-A346 PolarHBondContact NZ-O 3.38Å
4	I	98.8	Very high	98	Very high	8 Å²	8	7.8 Å²	7.8	4%	0.041	4%	0.039	C	C	.	.	H	α-helix	trans	-67.3	-45.9	169.5	-59.3	169.3	0	0	0	109.1	T1 D2 Q7 I8 I61 Y63 P226	T1-I4 WeakPolarHBondContact O-CB 3.49Å; T1-I4 WeakPolarHBondContact O-CG1 3.42Å; T1-I4 PolarHBondContact O-N 2.65Å; D2-I4 PolarHBondContact O-N 2.94Å; D2-I4 VanDerWaalsContact O-N 3.16Å; I4-Q7 PolarHBondContact O-N 3.24Å; I4-I8 HydrophobicContact CG2-CD1 3.68Å; I4-I8 HydrophobicContact CG2-CG1 4.43Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.39Å; I4-I8 PolarHBondContact O-N 3.21Å; I4-I61 HydrophobicContact CB-CD1 4.27Å; I4-I61 HydrophobicContact CG1-CD1 4.14Å; I4-I61 HydrophobicContact CG2-CD1 4.06Å; I4-Y63 HydrophobicContact CD1-CD2 4.12Å; I4-Y63 HydrophobicContact CD1-CE2 3.68Å; I4-P226 HydrophobicContact CD1-CG 3.82Å
5	C	98.9	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.1	-46.8	179.4	-63.3	0	0	0	0	111.9	D2 Q7 I8 S9 T29 C31 G231 T233	D2-C5 WeakPolarHBondContact O-CA 3.37Å; D2-C5 VanDerWaalsContact O-CB 3.28Å; D2-C5 WeakPolarHBondContact O-CB 3.4Å; D2-C5 PolarHBondContact O-N 3.14Å; C5-Q7 VanDerWaalsContact C-N 3.35Å; C5-Q7 PolarHBondContact O-N 2.96Å; C5-I8 PolarHBondContact O-N 2.96Å; C5-S9 WeakPolarHBondContact O-CB 3.44Å; C5-S9 PolarHBondContact O-N 3.08Å; C5-S9 PolarHBondContact O-OG 3.08Å; C5-T29 HydrophobicContact CB-CG2 4.01Å; C5-T29 VanDerWaalsContact CB-O 3.28Å; C5-T29 WeakPolarHBondContact CB-O 3.46Å; C5-T29 PolarHBondContact O-OG1 3.48Å; C5-T29 PolarHBondContact SG-O 2.89Å; C5-C31 PolarHBondContact SG-SG 3.46Å; C5-G231 PolarHBondContact SG-O 2.96Å; C5-T233 VanDerWaalsContact CB-N 3.3Å; C5-T233 WeakPolarHBondContact CB-OG1 3.46Å; C5-T233 PolarHBondContact O-OG1 3.27Å
6	D	98.9	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.2	-47.9	175.7	-73.6	-38.9	0	0	0	112.1	D2 K3 I8 S9 D10 G234 S254 A346	D2-D6 PolarHBondContact O-N 2.79Å; K3-D6 HydrophobicContact CD-CB 4.21Å; K3-D6 WeakPolarHBondContact CD-OD2 3.4Å; K3-D6 IonicContact NZ-OD2 2.79Å; K3-D6 PolarHBondContact NZ-OD2 2.84Å; D6-I8 PolarHBondContact O-N 3.04Å; D6-S9 PolarHBondContact O-N 2.97Å; D6-D10 PolarHBondContact O-N 3.05Å; D6-G234 PolarHBondContact OD1-N 2.92Å; D6-S254 WeakPolarHBondContact CB-OG 3.46Å; D6-S254 VanDerWaalsContact CG-OG 3.25Å; D6-S254 WeakPolarHBondContact OD1-CB 3.26Å; D6-S254 PolarHBondContact OD1-OG 3.28Å; D6-A346 HydrophobicContact CB-CB 4.14Å
7	Q	98.9	Very high	98.1	Very high	22 Å²	22	7.3 Å²	7.3	10%	0.103	4%	0.038	C	C	.	.	H	α-helix	trans	-65.9	-35.3	179.4	-76.7	170.8	87.6	0	0	112.9	K3 I4 C5 A11 I61 A346	K3-Q7 WeakPolarHBondContact O-CB 3.46Å; K3-Q7 WeakPolarHBondContact O-CG 3.48Å; K3-Q7 PolarHBondContact O-N 2.79Å; K3-Q7 PolarHBondContact O-NE2 2.9Å; I4-Q7 PolarHBondContact O-N 3.24Å; C5-Q7 VanDerWaalsContact C-N 3.35Å; C5-Q7 PolarHBondContact O-N 2.96Å; Q7-A11 VanDerWaalsContact O-CB 3.24Å; Q7-A11 WeakPolarHBondContact O-CB 3.5Å; Q7-A11 PolarHBondContact O-N 3.21Å; Q7-I61 HydrophobicContact CB-CD1 4.34Å; Q7-A346 HydrophobicContact CB-CB 4.33Å; Q7-A346 HydrophobicContact CG-CB 3.76Å
8	I	98.9	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-70.2	-48	175.9	-71.3	168	0	0	0	110.3	I4 C5 D6 D10 A11 V12 T29 V36 L38 V54 A57 I58	I4-I8 HydrophobicContact CG2-CD1 3.68Å; I4-I8 HydrophobicContact CG2-CG1 4.43Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.39Å; I4-I8 PolarHBondContact O-N 3.21Å; C5-I8 PolarHBondContact O-N 2.96Å; D6-I8 PolarHBondContact O-N 3.04Å; I8-D10 VanDerWaalsContact C-N 3.28Å; I8-D10 PolarHBondContact O-N 2.74Å; I8-A11 WeakPolarHBondContact O-CB 3.43Å; I8-A11 PolarHBondContact O-N 2.67Å; I8-A11 VanDerWaalsContact O-N 3.08Å; I8-V12 WeakPolarHBondContact O-CG2 3.11Å; I8-V12 PolarHBondContact O-N 2.87Å; I8-T29 HydrophobicContact CB-CG2 4.04Å; I8-T29 HydrophobicContact CD1-CG2 4.18Å; I8-T29 HydrophobicContact CG2-CG2 3.87Å; I8-V36 HydrophobicContact CD1-CG1 4.01Å; I8-V36 HydrophobicContact CD1-CG2 4.22Å; I8-L38 HydrophobicContact CG2-CD2 3.64Å; I8-V54 HydrophobicContact CD1-CG1 4.28Å; I8-V54 HydrophobicContact CG2-CG2 3.83Å; I8-A57 HydrophobicContact CG1-CB 3.96Å; I8-I58 HydrophobicContact CD1-CG1 4.07Å
9	S	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-54.3	-44.8	177.1	-79.5	0	0	0	0	111.6	C5 D6 V12 L13 C27 T29 T233	C5-S9 WeakPolarHBondContact O-CB 3.44Å; C5-S9 PolarHBondContact O-N 3.08Å; C5-S9 PolarHBondContact O-OG 3.08Å; D6-S9 PolarHBondContact O-N 2.97Å; S9-V12 PolarHBondContact O-N 2.97Å; S9-L13 PolarHBondContact O-N 3.11Å; S9-C27 WeakPolarHBondContact CB-O 3.46Å; S9-C27 PolarHBondContact OG-O 3.13Å; S9-T29 PolarHBondContact N-OG1 3.29Å; S9-T29 PolarHBondContact OG-N 3.02Å; S9-T29 PolarHBondContact OG-OG1 3.28Å; S9-T233 PolarHBondContact OG-OG1 3.17Å
10	D	98.9	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-77.1	-27	176.6	-82.1	-23.2	0	0	0	114.2	D6 I8 V12 L13 D14 S254 G255 R263 Q343 A346	D6-D10 PolarHBondContact O-N 3.05Å; I8-D10 VanDerWaalsContact C-N 3.28Å; I8-D10 PolarHBondContact O-N 2.74Å; D10-V12 VanDerWaalsContact C-N 3.3Å; D10-L13 PolarHBondContact O-N 3Å; D10-D14 WeakPolarHBondContact O-CB 3.49Å; D10-D14 PolarHBondContact O-N 3.1Å; D10-S254 WeakPolarHBondContact OD1-CA 3.37Å; D10-G255 PolarHBondContact OD1-N 2.65Å; D10-R263 IonicContact OD1-CZ 3.57Å; D10-R263 VanDerWaalsContact OD1-CZ 3.28Å; D10-R263 IonicContact OD1-NH1 2.82Å; D10-R263 PolarHBondContact OD1-NH1 3.12Å; D10-R263 IonicContact OD1-NH2 3.64Å; D10-R263 PolarHBondContact OD1-NH2 2.9Å; D10-R263 IonicContact OD2-CZ 2.71Å; D10-R263 IonicContact OD2-NH2 3.26Å; D10-R263 PolarHBondContact OD2-NH2 2.94Å; D10-Q343 HydrophobicContact CB-CB 4.48Å; D10-A346 HydrophobicContact CB-CB 4.29Å
11	A	98.9	Very high	98.3	Very high	4 Å²	4	21 Å²	21	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-37.4	170.4	0	0	0	0	0	111.8	Q7 I8 A15 V53 A57 Q343	Q7-A11 VanDerWaalsContact O-CB 3.24Å; Q7-A11 WeakPolarHBondContact O-CB 3.5Å; Q7-A11 PolarHBondContact O-N 3.21Å; I8-A11 WeakPolarHBondContact O-CB 3.43Å; I8-A11 PolarHBondContact O-N 2.67Å; I8-A11 VanDerWaalsContact O-N 3.08Å; A11-A15 WeakPolarHBondContact O-CB 3.2Å; A11-A15 PolarHBondContact O-N 2.83Å; A11-V53 HydrophobicContact CB-CG1 3.85Å; A11-A57 HydrophobicContact CB-CB 4.19Å; A11-Q343 HydrophobicContact CB-CG 4.24Å
12	V	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-48.2	173	171.9	0	0	0	0	110.4	I8 S9 D10 D14 A15 H16 C27 L38 I42 Y50 V53	I8-V12 WeakPolarHBondContact O-CG2 3.11Å; I8-V12 PolarHBondContact O-N 2.87Å; S9-V12 PolarHBondContact O-N 2.97Å; D10-V12 VanDerWaalsContact C-N 3.3Å; V12-D14 PolarHBondContact O-N 3.1Å; V12-A15 WeakPolarHBondContact O-CB 3.19Å; V12-A15 PolarHBondContact O-N 3.38Å; V12-A15 VanDerWaalsContact O-N 3.1Å; V12-H16 PolarHBondContact O-CD2 3.41Å; V12-H16 PolarHBondContact O-N 3.48Å; V12-C27 HydrophobicContact CG1-CB 4.19Å; V12-L38 HydrophobicContact CG2-CD1 4.02Å; V12-L38 HydrophobicContact CG2-CD2 4.46Å; V12-I42 HydrophobicContact CG1-CD1 3.77Å; V12-Y50 HydrophobicContact CG1-CD1 4.24Å; V12-Y50 HydrophobicContact CG1-CE1 3.87Å; V12-Y50 HydrophobicContact CG2-CD1 4.37Å; V12-V53 HydrophobicContact CG2-CG1 3.98Å
13	L	98.9	Very high	98.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-54.3	-51	174.3	173.3	62.8	0	0	0	111.8	S9 D10 A15 H16 L17 V25 K256 D257 Y342	S9-L13 PolarHBondContact O-N 3.11Å; D10-L13 PolarHBondContact O-N 3Å; L13-A15 PolarHBondContact O-N 3.13Å; L13-H16 PolarHBondContact O-N 2.86Å; L13-H16 VanDerWaalsContact O-N 3.17Å; L13-L17 HydrophobicContact CD1-CD1 3.76Å; L13-L17 HydrophobicContact CD1-CG 3.92Å; L13-L17 HydrophobicContact CG-CD1 3.85Å; L13-L17 HydrophobicContact CG-CG 4.35Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 2.91Å; L13-V25 HydrophobicContact CB-CG1 4.33Å; L13-V25 HydrophobicContact CD1-CB 3.74Å; L13-V25 HydrophobicContact CD1-CG1 4.1Å; L13-V25 HydrophobicContact CD1-CG2 3.74Å; L13-K256 VanDerWaalsContact CD2-O 3.26Å; L13-K256 WeakPolarHBondContact CD2-O 3.46Å; L13-D257 HydrophobicContact CD1-CB 4.18Å; L13-Y342 HydrophobicContact CD2-CD1 4.13Å; L13-Y342 HydrophobicContact CD2-CD2 3.44Å; L13-Y342 VanDerWaalsContact CD2-CD2 3.44Å; L13-Y342 HydrophobicContact CD2-CE2 3.98Å; L13-Y342 HydrophobicContact CD2-CG 3.52Å; L13-Y342 HydrophobicContact CG-CD2 3.89Å; L13-Y342 HydrophobicContact CG-CE2 4.46Å; L13-Y342 HydrophobicContact CG-CG 4.35Å
14	D	98.9	Very high	98.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-33.8	178.9	-76.2	-17.3	0	0	0	112	D10 V12 R18 P340 I341 Y342 Q343	D10-D14 WeakPolarHBondContact O-CB 3.49Å; D10-D14 PolarHBondContact O-N 3.1Å; V12-D14 PolarHBondContact O-N 3.1Å; D14-R18 WeakPolarHBondContact O-CB 3.37Å; D14-R18 WeakPolarHBondContact O-CG 3.45Å; D14-R18 PolarHBondContact O-N 2.66Å; D14-R18 PolarHBondContact O-NE 3.17Å; D14-P340 HydrophobicContact CB-CB 3.96Å; D14-P340 VanDerWaalsContact CG-C 3.48Å; D14-P340 WeakPolarHBondContact O-CB 3.27Å; D14-P340 WeakPolarHBondContact OD1-CA 3.42Å; D14-I341 PolarHBondContact OD1-N 3.17Å; D14-I341 VanDerWaalsContact OD1-N 3.1Å; D14-Y342 WeakPolarHBondContact OD1-CB 3.4Å; D14-Y342 WeakPolarHBondContact OD1-CD2 3.4Å; D14-Y342 PolarHBondContact OD1-N 2.93Å; D14-Y342 PolarHBondContact OD2-N 3.01Å; D14-Y342 VanDerWaalsContact OD2-N 3.12Å; D14-Q343 WeakPolarHBondContact OD2-CB 3.42Å; D14-Q343 PolarHBondContact OD2-N 3.19Å
15	A	98.9	Very high	98.9	Very high	5 Å²	5	21.3 Å²	21.3	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-38.8	176.5	0	0	0	0	0	112.6	A11 V12 L13 R18 V48 V53	A11-A15 WeakPolarHBondContact O-CB 3.2Å; A11-A15 PolarHBondContact O-N 2.83Å; V12-A15 WeakPolarHBondContact O-CB 3.19Å; V12-A15 PolarHBondContact O-N 3.38Å; V12-A15 VanDerWaalsContact O-N 3.1Å; L13-A15 PolarHBondContact O-N 3.13Å; A15-R18 VanDerWaalsContact CA-NH2 3.26Å; A15-V48 HydrophobicContact CB-CG1 3.81Å; A15-V48 HydrophobicContact CB-CG2 4.17Å; A15-V53 HydrophobicContact CB-CG1 4.46Å; A15-V53 HydrophobicContact CB-CG2 3.83Å
16	H	98.9	Very high	98.9	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-67.9	-50.9	172.3	-81.4	-79.6	0	0	0	111.4	V12 L13 R18 Q19 D20 A23 V25 I42 S44 A46 Y50	V12-H16 PolarHBondContact O-CD2 3.41Å; V12-H16 PolarHBondContact O-N 3.48Å; L13-H16 PolarHBondContact O-N 2.86Å; L13-H16 VanDerWaalsContact O-N 3.17Å; H16-R18 PolarHBondContact O-N 3.03Å; H16-Q19 PolarHBondContact O-N 3.36Å; H16-D20 PolarHBondContact O-N 3.1Å; H16-A23 HydrophobicContact CB-CB 3.83Å; H16-V25 HydrophobicContact CB-CG2 4.13Å; H16-I42 VanDerWaalsContact CE1-CG2 3.49Å; H16-I42 WeakPolarHBondContact CE1-CG2 3.42Å; H16-S44 WeakPolarHBondContact ND1-CB 3.22Å; H16-S44 PolarHBondContact ND1-OG 3.02Å; H16-A46 HydrophobicContact CB-CB 4.5Å; H16-Y50 PolarHBondContact CE1-OH 2.95Å; H16-Y50 AromaticContact NE2-CE1 3.58Å; H16-Y50 AromaticContact NE2-CZ 3.66Å; H16-Y50 PolarHBondContact NE2-OH 3.4Å
17	L	98.9	Very high	98.9	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-26.8	-177.1	-68.7	178	0	0	0	114.2	L13 Q19 D20 A23 P340 Y342	L13-L17 HydrophobicContact CD1-CD1 3.76Å; L13-L17 HydrophobicContact CD1-CG 3.92Å; L13-L17 HydrophobicContact CG-CD1 3.85Å; L13-L17 HydrophobicContact CG-CG 4.35Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 2.91Å; L17-Q19 PolarHBondContact O-N 3Å; L17-D20 WeakPolarHBondContact CA-O 3.49Å; L17-A23 HydrophobicContact CD2-CB 4.43Å; L17-P340 HydrophobicContact CB-CB 4.16Å; L17-Y342 HydrophobicContact CD1-CD2 3.68Å; L17-Y342 HydrophobicContact CD1-CE2 3.38Å
18	R	98.8	Very high	98.9	Very high	144 Å²	144	24.2 Å²	24.2	54%	0.543	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.5	173.1	-86.4	-175.1	-71.3	-93.3	2.1	113.7	D14 A15 H16 P340	D14-R18 WeakPolarHBondContact O-CB 3.37Å; D14-R18 WeakPolarHBondContact O-CG 3.45Å; D14-R18 PolarHBondContact O-N 2.66Å; D14-R18 PolarHBondContact O-NE 3.17Å; A15-R18 VanDerWaalsContact CA-NH2 3.26Å; H16-R18 PolarHBondContact O-N 3.03Å; R18-P340 HydrophobicContact CG-CB 3.76Å; R18-P340 HydrophobicContact CG-CG 3.65Å
19	Q	98.8	Very high	98.9	Very high	109 Å²	109	24.2 Å²	24.2	51%	0.509	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-29.1	-177.6	-62.2	178.9	53.4	0	0	111.9	H16 L17 A46 N47	H16-Q19 PolarHBondContact O-N 3.36Å; L17-Q19 PolarHBondContact O-N 3Å; Q19-A46 HydrophobicContact CB-CB 3.65Å; Q19-A46 HydrophobicContact CG-CB 4.34Å; Q19-N47 PolarHBondContact NE2-O 3.1Å; Q19-N47 PolarHBondContact OE1-O 2.87Å
20	D	98.8	Very high	98.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.132	C	C	.	.			trans	-140.8	91.2	-174.2	179.6	18.3	0	0	0	110	H16 L17 D22 A23 S44 R45 A46	H16-D20 PolarHBondContact O-N 3.1Å; L17-D20 WeakPolarHBondContact CA-O 3.49Å; D20-D22 PolarHBondContact O-N 3.48Å; D20-D22 PolarHBondContact OD1-N 3.46Å; D20-A23 HydrophobicContact CB-CB 4.28Å; D20-A23 VanDerWaalsContact O-CB 3.29Å; D20-A23 WeakPolarHBondContact O-CB 3.39Å; D20-A23 PolarHBondContact O-N 3.34Å; D20-A23 VanDerWaalsContact O-N 3.07Å; D20-S44 WeakPolarHBondContact CB-OG 3.4Å; D20-S44 WeakPolarHBondContact OD2-CA 3.35Å; D20-S44 WeakPolarHBondContact OD2-CB 3.45Å; D20-S44 PolarHBondContact OD2-OG 3.29Å; D20-R45 HydrophobicContact CB-CB 4.24Å; D20-R45 IonicContact OD1-CZ 2.65Å; D20-R45 VanDerWaalsContact OD1-CZ 3.26Å; D20-R45 IonicContact OD1-NE 2.66Å; D20-R45 PolarHBondContact OD1-NE 3.04Å; D20-R45 IonicContact OD1-NH2 2.63Å; D20-R45 PolarHBondContact OD1-NH2 2.86Å; D20-R45 PolarHBondContact OD2-N 2.83Å; D20-R45 IonicContact OD2-NE 3.64Å; D20-A46 HydrophobicContact CB-CB 4.24Å
21	P	98.8	Very high	98.8	Very high	59 Å²	59	26.4 Å²	26.4	38%	0.383	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.8	179.9	-26.6	36.2	0	0	0	114.5	K338	P21-K338 HydrophobicContact CB-CB 4.11Å; P21-K338 HydrophobicContact CB-CD 4.12Å; P21-K338 WeakPolarHBondContact O-CD 3.31Å; P21-K338 WeakPolarHBondContact O-CG 3.49Å
22	D	98.6	Very high	98.8	Very high	61 Å²	61	29.5 Å²	29.5	33%	0.326	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.8	-178.1	-54.5	-51.7	0	0	0	113.1	D20 K24 R45 K338	D20-D22 PolarHBondContact O-N 3.48Å; D20-D22 PolarHBondContact OD1-N 3.46Å; D22-K24 PolarHBondContact O-N 2.92Å; D22-K24 PolarHBondContact O-NZ 3.39Å; D22-R45 IonicContact OD2-NH2 3.89Å; D22-R45 PolarHBondContact OD2-NH2 3.44Å; D22-K338 WeakPolarHBondContact OD1-CE 3.27Å; D22-K338 IonicContact OD1-NZ 2.81Å; D22-K338 PolarHBondContact OD1-NZ 2.78Å
23	A	98.8	Very high	98.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.169	C	C	.	.			trans	-51.9	133.4	179.8	0	0	0	0	0	111.5	H16 L17 D20 V25 S44 D257	H16-A23 HydrophobicContact CB-CB 3.83Å; L17-A23 HydrophobicContact CD2-CB 4.43Å; D20-A23 HydrophobicContact CB-CB 4.28Å; D20-A23 VanDerWaalsContact O-CB 3.29Å; D20-A23 WeakPolarHBondContact O-CB 3.39Å; D20-A23 PolarHBondContact O-N 3.34Å; D20-A23 VanDerWaalsContact O-N 3.07Å; A23-V25 HydrophobicContact CB-CG2 3.95Å; A23-S44 WeakPolarHBondContact CB-OG 3.45Å; A23-D257 WeakPolarHBondContact O-CB 3.32Å
24	K	98.8	Very high	98.8	Very high	24 Å²	24	35 Å²	35	10%	0.104	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.5	171.4	-58.8	-64.1	176.6	-76.4	0	107.5	D22 I42 T43 H93 D257	D22-K24 PolarHBondContact O-N 2.92Å; D22-K24 PolarHBondContact O-NZ 3.39Å; K24-I42 VanDerWaalsContact O-CA 3.32Å; K24-I42 WeakPolarHBondContact O-CA 3.35Å; K24-T43 PolarHBondContact N-O 3.31Å; K24-T43 PolarHBondContact O-N 3.32Å; K24-H93 VanDerWaalsContact CE-CD2 3.47Å; K24-H93 WeakPolarHBondContact CE-CD2 3.31Å; K24-D257 WeakPolarHBondContact CA-OD1 3.1Å
25	V	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.8	-171.9	-173.6	0	0	0	0	109.4	L13 H16 A23 C27 I42 G255 K256 D257	L13-V25 HydrophobicContact CB-CG1 4.33Å; L13-V25 HydrophobicContact CD1-CB 3.74Å; L13-V25 HydrophobicContact CD1-CG1 4.1Å; L13-V25 HydrophobicContact CD1-CG2 3.74Å; H16-V25 HydrophobicContact CB-CG2 4.13Å; A23-V25 HydrophobicContact CB-CG2 3.95Å; V25-C27 HydrophobicContact CG1-CB 3.94Å; V25-I42 HydrophobicContact CG1-CD1 4.07Å; V25-I42 HydrophobicContact CG1-CG1 4.11Å; V25-I42 HydrophobicContact CG2-CG2 4.25Å; V25-G255 CarbonylContact C-O 3.43Å; V25-G255 WeakPolarHBondContact CG1-O 3.43Å; V25-K256 WeakPolarHBondContact O-CA 3.4Å; V25-D257 HydrophobicContact CB-CB 4.48Å; V25-D257 PolarHBondContact N-OD1 3.49Å; V25-D257 PolarHBondContact O-N 3.12Å
26	A	98.8	Very high	98.8	Very high	17 Å²	17	37.2 Å²	37.2	14%	0.14	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	74.8	166.8	0	0	0	0	0	107.6	G40 E41 G255	A26-G40 WeakPolarHBondContact O-CA 3.33Å; A26-E41 PolarHBondContact N-O 3.45Å; A26-E41 PolarHBondContact O-N 3.22Å; A26-G255 CarbonylContact C-O 3.6Å; A26-G255 WeakPolarHBondContact CA-O 3.35Å
27	C	98.9	Very high	98.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	105.7	-174.5	-175.2	0	0	0	0	110.8	S9 V12 V25 I42 G255	S9-C27 WeakPolarHBondContact CB-O 3.46Å; S9-C27 PolarHBondContact OG-O 3.13Å; V12-C27 HydrophobicContact CG1-CB 4.19Å; V25-C27 HydrophobicContact CG1-CB 3.94Å; C27-I42 HydrophobicContact CB-CD1 4.25Å; C27-G255 PolarHBondContact N-O 3.16Å
28	E	98.9	Very high	98.8	Very high	65 Å²	65	38.9 Å²	38.9	30%	0.304	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	145.9	170.2	-55.7	-60.4	168.7	0	0	110.5	L38 C39 T233	E28-L38 WeakPolarHBondContact O-CA 3.49Å; E28-C39 WeakPolarHBondContact CA-O 3.34Å; E28-C39 WeakPolarHBondContact CB-O 3.16Å; E28-C39 PolarHBondContact N-O 3.37Å; E28-C39 PolarHBondContact O-N 3.1Å; E28-T233 VanDerWaalsContact OE2-CB 3.26Å; E28-T233 WeakPolarHBondContact OE2-CB 3.36Å; E28-T233 WeakPolarHBondContact OE2-CG2 3.35Å
29	T	98.9	Very high	98.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132	175.2	-55.1	0	0	0	0	109.8	C5 I8 S9 V36 L37 L38 V232 T233	C5-T29 HydrophobicContact CB-CG2 4.01Å; C5-T29 VanDerWaalsContact CB-O 3.28Å; C5-T29 WeakPolarHBondContact CB-O 3.46Å; C5-T29 PolarHBondContact O-OG1 3.48Å; C5-T29 PolarHBondContact SG-O 2.89Å; I8-T29 HydrophobicContact CB-CG2 4.04Å; I8-T29 HydrophobicContact CD1-CG2 4.18Å; I8-T29 HydrophobicContact CG2-CG2 3.87Å; S9-T29 PolarHBondContact N-OG1 3.29Å; S9-T29 PolarHBondContact OG-N 3.02Å; S9-T29 PolarHBondContact OG-OG1 3.28Å; T29-V36 HydrophobicContact CG2-CG1 3.67Å; T29-L37 CarbonylContact C-O 3.44Å; T29-L37 WeakPolarHBondContact CA-O 3.31Å; T29-L38 HydrophobicContact CG2-CD2 4.18Å; T29-V232 WeakPolarHBondContact O-CA 3.47Å; T29-T233 WeakPolarHBondContact CB-OG1 3.18Å; T29-T233 PolarHBondContact N-OG1 3.48Å; T29-T233 PolarHBondContact O-N 3.46Å; T29-T233 PolarHBondContact O-OG1 3.16Å
30	V	98.9	Very high	98.8	Very high	47 Å²	47	29.9 Å²	29.9	29%	0.285	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.9	169.3	-179.2	0	0	0	0	108.5	V36 L37 G231 V232	V30-V36 CarbonylContact O-C 3.54Å; V30-V36 WeakPolarHBondContact O-CA 3.43Å; V30-L37 HydrophobicContact CB-CB 4.33Å; V30-L37 PolarHBondContact N-O 3.08Å; V30-L37 PolarHBondContact O-N 3.36Å; V30-G231 CarbonylContact C-O 3.52Å; V30-G231 WeakPolarHBondContact CA-O 3.21Å; V30-V232 HydrophobicContact CG1-CG2 4.44Å; V30-V232 HydrophobicContact CG2-CG1 4.39Å; V30-V232 HydrophobicContact CG2-CG2 4.37Å
31	C	98.6	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.2	171.5	70.3	0	0	0	0	112.5	T1 C5 M35 P226 G231	T1-C31 VanDerWaalsContact CG2-SG 3.51Å; C5-C31 PolarHBondContact SG-SG 3.46Å; C31-M35 VanDerWaalsContact CA-O 3.27Å; C31-M35 WeakPolarHBondContact CA-O 3.41Å; C31-M35 WeakPolarHBondContact CB-O 3.31Å; C31-P226 HydrophobicContact CB-CB 4.25Å; C31-P226 HydrophobicContact CB-CG 4.2Å; C31-G231 PolarHBondContact N-O 3.42Å; C31-G231 PolarHBondContact O-N 3.11Å
32	K	98.8	Very high	98.8	Very high	68 Å²	68	31.5 Å²	31.5	30%	0.296	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-176.1	171.1	-164.4	57.9	-139.3	160.9	0	108.6	G34 M35 F70 P226 Q227 D229 A230	K32-G34 PolarHBondContact O-N 3.37Å; K32-M35 HydrophobicContact CB-CE 4.34Å; K32-M35 PolarHBondContact N-O 3.25Å; K32-M35 VanDerWaalsContact N-O 3.1Å; K32-M35 PolarHBondContact O-N 3.01Å; K32-M35 VanDerWaalsContact O-O 3.12Å; K32-F70 WeakPolarHBondContact O-CE2 3.35Å; K32-P226 CarbonylContact C-O 3.43Å; K32-P226 WeakPolarHBondContact CD-O 3.5Å; K32-P226 WeakPolarHBondContact CE-O 3.42Å; K32-P226 PolarHBondContact NZ-O 3.42Å; K32-P226 WeakPolarHBondContact O-CB 3.35Å; K32-Q227 PolarHBondContact NZ-O 3.12Å; K32-D229 PolarHBondContact NZ-O 3.1Å; K32-D229 VanDerWaalsContact NZ-O 3.17Å; K32-A230 HydrophobicContact CD-CB 3.87Å
33	T	98.6	Very high	98.8	Very high	83 Å²	83	30.9 Å²	30.9	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	113.3	-178.9	-47.3	0	0	0	0	111.8	M35 P226 Q227	T33-M35 PolarHBondContact O-N 3.06Å; T33-P226 PolarHBondContact N-O 3.33Å; T33-Q227 HydrophobicContact CG2-CG 4.23Å
34	G	97.9	Very high	98.8	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	9.8	178.1	0	0	0	0	0	116.2	K32 N76	K32-G34 PolarHBondContact O-N 3.37Å; G34-N76 WeakPolarHBondContact O-CB 3.49Å; G34-N76 PolarHBondContact O-N 3.49Å
35	M	98.8	Very high	98.8	Very high	54 Å²	54	39.9 Å²	39.9	27%	0.266	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.1	-173.7	-174.6	-173	76.9	0	0	112.4	C31 K32 T33 L78	C31-M35 VanDerWaalsContact CA-O 3.27Å; C31-M35 WeakPolarHBondContact CA-O 3.41Å; C31-M35 WeakPolarHBondContact CB-O 3.31Å; K32-M35 HydrophobicContact CB-CE 4.34Å; K32-M35 PolarHBondContact N-O 3.25Å; K32-M35 VanDerWaalsContact N-O 3.1Å; K32-M35 PolarHBondContact O-N 3.01Å; K32-M35 VanDerWaalsContact O-O 3.12Å; T33-M35 PolarHBondContact O-N 3.06Å; M35-L78 HydrophobicContact CG-CD1 4.24Å; M35-L78 HydrophobicContact SD-CD1 4.07Å
36	V	98.9	Very high	98.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.7	156.2	-178.1	0	0	0	0	108.4	I8 T29 V30 L38 V54 I58 F70 N76 V77 L78	I8-V36 HydrophobicContact CD1-CG1 4.01Å; I8-V36 HydrophobicContact CD1-CG2 4.22Å; T29-V36 HydrophobicContact CG2-CG1 3.67Å; V30-V36 CarbonylContact O-C 3.54Å; V30-V36 WeakPolarHBondContact O-CA 3.43Å; V36-L38 HydrophobicContact CG1-CD2 4.38Å; V36-V54 HydrophobicContact CB-CG1 3.99Å; V36-V54 HydrophobicContact CG1-CG1 3.81Å; V36-V54 HydrophobicContact CG2-CG1 4.03Å; V36-I58 HydrophobicContact CG2-CD1 3.95Å; V36-F70 HydrophobicContact CG2-CE1 4.33Å; V36-F70 HydrophobicContact CG2-CZ 3.89Å; V36-N76 PolarHBondContact N-O 2.93Å; V36-V77 CarbonylContact O-C 3.53Å; V36-V77 WeakPolarHBondContact O-CA 3.22Å; V36-L78 PolarHBondContact O-N 3.46Å
37	L	98.9	Very high	98.8	Very high	46 Å²	46	46.4 Å²	46.4	24%	0.241	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.8	170.9	169.8	65.8	0	0	0	108.4	T29 V30 C39 L78 A80	T29-L37 CarbonylContact C-O 3.44Å; T29-L37 WeakPolarHBondContact CA-O 3.31Å; V30-L37 HydrophobicContact CB-CB 4.33Å; V30-L37 PolarHBondContact N-O 3.08Å; V30-L37 PolarHBondContact O-N 3.36Å; L37-C39 HydrophobicContact CG-CB 4.44Å; L37-L78 WeakPolarHBondContact CA-O 3.47Å; L37-L78 HydrophobicContact CD1-CB 3.77Å; L37-A80 HydrophobicContact CD1-CB 4.19Å
38	L	98.9	Very high	98.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.2	163.2	-55.5	-176.1	0	0	0	108.6	I8 V12 E28 T29 V36 Y50 V54 L78 V79 A80 L81	I8-L38 HydrophobicContact CG2-CD2 3.64Å; V12-L38 HydrophobicContact CG2-CD1 4.02Å; V12-L38 HydrophobicContact CG2-CD2 4.46Å; E28-L38 WeakPolarHBondContact O-CA 3.49Å; T29-L38 HydrophobicContact CG2-CD2 4.18Å; V36-L38 HydrophobicContact CG1-CD2 4.38Å; L38-Y50 HydrophobicContact CD1-CD1 3.91Å; L38-Y50 HydrophobicContact CD1-CG 4.2Å; L38-V54 HydrophobicContact CD1-CG2 3.84Å; L38-V54 HydrophobicContact CD2-CG2 4.04Å; L38-V54 HydrophobicContact CG-CG2 4.15Å; L38-L78 PolarHBondContact N-O 3.44Å; L38-V79 HydrophobicContact CD1-CG2 4.41Å; L38-A80 PolarHBondContact O-N 2.86Å; L38-L81 HydrophobicContact CB-CD1 4.22Å; L38-L81 HydrophobicContact CB-CD2 4.46Å; L38-L81 HydrophobicContact CB-CG 4.27Å; L38-L81 HydrophobicContact CD1-CD1 4.35Å
39	C	98.9	Very high	98.8	Very high	56 Å²	56	48.3 Å²	48.3	38%	0.378	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.6	179.8	-169	0	0	0	0	110.4	E28 L37 A80	E28-C39 WeakPolarHBondContact CA-O 3.34Å; E28-C39 WeakPolarHBondContact CB-O 3.16Å; E28-C39 PolarHBondContact N-O 3.37Å; E28-C39 PolarHBondContact O-N 3.1Å; L37-C39 HydrophobicContact CG-CB 4.44Å; C39-A80 WeakPolarHBondContact CA-O 3.36Å
40	G	98.7	Very high	98.7	Very high	8 Å²	8	50.9 Å²	50.9	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.4	-150.9	175.9	0	0	0	0	0	112.8	A26 A80 L81 E82	A26-G40 WeakPolarHBondContact O-CA 3.33Å; G40-A80 PolarHBondContact N-O 3.43Å; G40-L81 WeakPolarHBondContact O-CA 3.43Å; G40-E82 PolarHBondContact O-N 3.08Å
41	E	98.8	Very high	98.7	Very high	88 Å²	88	52.1 Å²	52.1	41%	0.411	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.4	-165.7	-50.9	75.3	-146	0	0	112.6	A26 E82	A26-E41 PolarHBondContact N-O 3.45Å; A26-E41 PolarHBondContact O-N 3.22Å; E41-E82 CarbonylContact C-O 3.59Å; E41-E82 WeakPolarHBondContact CA-O 3.44Å
42	I	98.9	Very high	98.8	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.4	173.2	-54	-175.7	0	0	0	110.9	V12 H16 K24 V25 C27 Y50 L81 E82 Q83	V12-I42 HydrophobicContact CG1-CD1 3.77Å; H16-I42 VanDerWaalsContact CE1-CG2 3.49Å; H16-I42 WeakPolarHBondContact CE1-CG2 3.42Å; K24-I42 VanDerWaalsContact O-CA 3.32Å; K24-I42 WeakPolarHBondContact O-CA 3.35Å; V25-I42 HydrophobicContact CG1-CD1 4.07Å; V25-I42 HydrophobicContact CG1-CG1 4.11Å; V25-I42 HydrophobicContact CG2-CG2 4.25Å; C27-I42 HydrophobicContact CB-CD1 4.25Å; I42-Y50 HydrophobicContact CD1-CE1 4.33Å; I42-L81 HydrophobicContact CD1-CD1 3.84Å; I42-L81 HydrophobicContact CD1-CD2 4.26Å; I42-L81 HydrophobicContact CG1-CD2 4.3Å; I42-E82 PolarHBondContact N-O 3.33Å; I42-Q83 PolarHBondContact O-NE2 2.96Å; I42-Q83 PolarHBondContact O-OE1 3.22Å
43	T	98.9	Very high	98.8	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.2	166.1	-64.5	0	0	0	0	108.7	K24 Q83 Q84	K24-T43 PolarHBondContact N-O 3.31Å; K24-T43 PolarHBondContact O-N 3.32Å; T43-Q83 PolarHBondContact OG1-OE1 2.95Å; T43-Q84 WeakPolarHBondContact OG1-CB 3.4Å; T43-Q84 PolarHBondContact OG1-N 2.63Å
44	S	98.8	Very high	98.8	Very high	33 Å²	33	51.7 Å²	51.7	23%	0.231	27%	0.269	C	S	.	.			trans	-155.6	151.9	-174.4	-178.2	0	0	0	0	111.9	H16 D20 A23 A46	H16-S44 WeakPolarHBondContact ND1-CB 3.22Å; H16-S44 PolarHBondContact ND1-OG 3.02Å; D20-S44 WeakPolarHBondContact CB-OG 3.4Å; D20-S44 WeakPolarHBondContact OD2-CA 3.35Å; D20-S44 WeakPolarHBondContact OD2-CB 3.45Å; D20-S44 PolarHBondContact OD2-OG 3.29Å; A23-S44 WeakPolarHBondContact CB-OG 3.45Å; S44-A46 VanDerWaalsContact C-N 3.29Å; S44-A46 WeakPolarHBondContact OG-CB 3.38Å; S44-A46 PolarHBondContact OG-N 3.49Å; S44-A46 VanDerWaalsContact OG-N 3.12Å
45	R	98.7	Very high	98.8	Very high	181 Å²	181	52.8 Å²	52.8	68%	0.683	26%	0.262	S	S	*	.	S	Bend	trans	-79.9	-10.4	170.9	-61.3	173.5	-72.4	-167.3	-4.8	113	D20 D22	D20-R45 HydrophobicContact CB-CB 4.24Å; D20-R45 IonicContact OD1-CZ 2.65Å; D20-R45 VanDerWaalsContact OD1-CZ 3.26Å; D20-R45 IonicContact OD1-NE 2.66Å; D20-R45 PolarHBondContact OD1-NE 3.04Å; D20-R45 IonicContact OD1-NH2 2.63Å; D20-R45 PolarHBondContact OD1-NH2 2.86Å; D20-R45 PolarHBondContact OD2-N 2.83Å; D20-R45 IonicContact OD2-NE 3.64Å; D22-R45 IonicContact OD2-NH2 3.89Å; D22-R45 PolarHBondContact OD2-NH2 3.44Å
46	A	98.6	Very high	98.8	Very high	15 Å²	15	53.4 Å²	53.4	12%	0.124	27%	0.266	C	S	.	.			trans	-72.1	143	-176.6	0	0	0	0	0	112.1	H16 Q19 D20 S44 V48	H16-A46 HydrophobicContact CB-CB 4.5Å; Q19-A46 HydrophobicContact CB-CB 3.65Å; Q19-A46 HydrophobicContact CG-CB 4.34Å; D20-A46 HydrophobicContact CB-CB 4.24Å; S44-A46 VanDerWaalsContact C-N 3.29Å; S44-A46 WeakPolarHBondContact OG-CB 3.38Å; S44-A46 PolarHBondContact OG-N 3.49Å; S44-A46 VanDerWaalsContact OG-N 3.12Å; A46-V48 HydrophobicContact CB-CG2 3.91Å
47	N	98.6	Very high	98.8	Very high	140 Å²	140	53.5 Å²	53.5	75%	0.749	27%	0.267	S	S	*	.			trans	-99.5	105.2	167	-173.6	14.8	0	0	0	108.8	Q19	Q19-N47 PolarHBondContact NE2-O 3.1Å; Q19-N47 PolarHBondContact OE1-O 2.87Å
48	V	98.8	Very high	98.8	Very high	14 Å²	14	51.3 Å²	51.3	9%	0.085	26%	0.256	C	S	.	.			trans	-113	124.3	-172.7	178.2	0	0	0	0	110.7	A15 A46 Y50 V53	A15-V48 HydrophobicContact CB-CG1 3.81Å; A15-V48 HydrophobicContact CB-CG2 4.17Å; A46-V48 HydrophobicContact CB-CG2 3.91Å; V48-Y50 HydrophobicContact CB-CE1 4.14Å; V48-Y50 HydrophobicContact CG1-CD1 3.9Å; V48-Y50 HydrophobicContact CG1-CE1 3.87Å; V48-Y50 HydrophobicContact CG1-CG 4.5Å; V48-Y50 PolarHBondContact O-N 3.44Å; V48-V53 HydrophobicContact CG1-CG2 3.96Å
49	D	98.8	Very high	98.8	Very high	92 Å²	92	56.4 Å²	56.4	49%	0.492	28%	0.278	S	S	.	.			trans	-79.8	92.3	167.5	-178.8	-12.3	0	0	0	109.8	Q51 K52 V53	D49-Q51 VanDerWaalsContact C-N 3.27Å; D49-Q51 PolarHBondContact O-N 3.34Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.34Å; D49-Q51 PolarHBondContact OD1-N 2.83Å; D49-Q51 VanDerWaalsContact OD1-N 3.08Å; D49-K52 HydrophobicContact CB-CB 4.04Å; D49-K52 VanDerWaalsContact CG-CB 3.46Å; D49-K52 PolarHBondContact O-N 2.89Å; D49-K52 PolarHBondContact OD1-N 3.41Å; D49-K52 WeakPolarHBondContact OD2-CB 3.46Å; D49-V53 WeakPolarHBondContact O-CG2 3.24Å; D49-V53 PolarHBondContact O-N 2.89Å
50	Y	98.8	Very high	98.8	Very high	54 Å²	54	59.1 Å²	59.1	21%	0.212	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-34.1	179.9	-62.1	-66.3	0	0	0	113	V12 H16 L38 I42 V48 V53 V54 V79 L81	V12-Y50 HydrophobicContact CG1-CD1 4.24Å; V12-Y50 HydrophobicContact CG1-CE1 3.87Å; V12-Y50 HydrophobicContact CG2-CD1 4.37Å; H16-Y50 PolarHBondContact CE1-OH 2.95Å; H16-Y50 AromaticContact NE2-CE1 3.58Å; H16-Y50 AromaticContact NE2-CZ 3.66Å; H16-Y50 PolarHBondContact NE2-OH 3.4Å; L38-Y50 HydrophobicContact CD1-CD1 3.91Å; L38-Y50 HydrophobicContact CD1-CG 4.2Å; I42-Y50 HydrophobicContact CD1-CE1 4.33Å; V48-Y50 HydrophobicContact CB-CE1 4.14Å; V48-Y50 HydrophobicContact CG1-CD1 3.9Å; V48-Y50 HydrophobicContact CG1-CE1 3.87Å; V48-Y50 HydrophobicContact CG1-CG 4.5Å; V48-Y50 PolarHBondContact O-N 3.44Å; Y50-V53 PolarHBondContact O-N 2.94Å; Y50-V54 WeakPolarHBondContact O-CB 3.45Å; Y50-V54 WeakPolarHBondContact O-CG2 3.16Å; Y50-V54 PolarHBondContact O-N 3.36Å; Y50-V79 HydrophobicContact CD2-CG1 4.24Å; Y50-L81 HydrophobicContact CD1-CD1 4.18Å; Y50-L81 HydrophobicContact CE1-CD1 3.74Å; Y50-L81 HydrophobicContact CE2-CD1 4.21Å
51	Q	98.8	Very high	98.8	Very high	73 Å²	73	59.4 Å²	59.4	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-50	177.4	-70.3	-72.7	-29.2	0	0	109.7	D49 R55 V77	D49-Q51 VanDerWaalsContact C-N 3.27Å; D49-Q51 PolarHBondContact O-N 3.34Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.34Å; D49-Q51 PolarHBondContact OD1-N 2.83Å; D49-Q51 VanDerWaalsContact OD1-N 3.08Å; Q51-R55 VanDerWaalsContact O-CB 3.29Å; Q51-R55 WeakPolarHBondContact O-CB 3.37Å; Q51-R55 WeakPolarHBondContact O-CD 3.31Å; Q51-R55 WeakPolarHBondContact O-CG 3.35Å; Q51-R55 PolarHBondContact O-N 2.87Å; Q51-R55 VanDerWaalsContact O-N 3.08Å; Q51-V77 PolarHBondContact NE2-O 2.88Å
52	K	98.9	Very high	98.8	Very high	118 Å²	118	55.5 Å²	55.5	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-47.4	178.9	-175.2	-179	-177	-57.2	0	111.9	D49 V54 R55 D56	D49-K52 HydrophobicContact CB-CB 4.04Å; D49-K52 VanDerWaalsContact CG-CB 3.46Å; D49-K52 PolarHBondContact O-N 2.89Å; D49-K52 PolarHBondContact OD1-N 3.41Å; D49-K52 WeakPolarHBondContact OD2-CB 3.46Å; K52-V54 PolarHBondContact O-N 3.14Å; K52-R55 PolarHBondContact O-N 3.15Å; K52-D56 WeakPolarHBondContact CG-OD2 3.41Å; K52-D56 IonicContact NZ-OD2 3.15Å; K52-D56 PolarHBondContact NZ-OD2 3.34Å; K52-D56 WeakPolarHBondContact O-CB 3.31Å; K52-D56 VanDerWaalsContact O-CG 3.31Å; K52-D56 PolarHBondContact O-N 2.98Å
53	V	98.9	Very high	98.8	Very high	24 Å²	24	55.2 Å²	55.2	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-47.9	-178	171.2	0	0	0	0	111.6	A11 V12 A15 V48 D49 Y50 A57	A11-V53 HydrophobicContact CB-CG1 3.85Å; V12-V53 HydrophobicContact CG2-CG1 3.98Å; A15-V53 HydrophobicContact CB-CG1 4.46Å; A15-V53 HydrophobicContact CB-CG2 3.83Å; V48-V53 HydrophobicContact CG1-CG2 3.96Å; D49-V53 WeakPolarHBondContact O-CG2 3.24Å; D49-V53 PolarHBondContact O-N 2.89Å; Y50-V53 PolarHBondContact O-N 2.94Å; V53-A57 PolarHBondContact O-N 3.48Å; V53-A57 VanDerWaalsContact O-N 3.1Å
54	V	98.9	Very high	98.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-48.8	178.3	169.3	0	0	0	0	110.8	I8 V36 L38 Y50 K52 D56 A57 I58 V77	I8-V54 HydrophobicContact CD1-CG1 4.28Å; I8-V54 HydrophobicContact CG2-CG2 3.83Å; V36-V54 HydrophobicContact CB-CG1 3.99Å; V36-V54 HydrophobicContact CG1-CG1 3.81Å; V36-V54 HydrophobicContact CG2-CG1 4.03Å; L38-V54 HydrophobicContact CD1-CG2 3.84Å; L38-V54 HydrophobicContact CD2-CG2 4.04Å; L38-V54 HydrophobicContact CG-CG2 4.15Å; Y50-V54 WeakPolarHBondContact O-CB 3.45Å; Y50-V54 WeakPolarHBondContact O-CG2 3.16Å; Y50-V54 PolarHBondContact O-N 3.36Å; K52-V54 PolarHBondContact O-N 3.14Å; V54-D56 PolarHBondContact O-N 2.81Å; V54-A57 PolarHBondContact O-N 2.94Å; V54-I58 HydrophobicContact CG1-CD1 3.71Å; V54-I58 WeakPolarHBondContact O-CD1 3.37Å; V54-I58 VanDerWaalsContact O-CG1 3.31Å; V54-I58 WeakPolarHBondContact O-CG1 3.42Å; V54-I58 PolarHBondContact O-N 3.45Å; V54-V77 HydrophobicContact CB-CG1 4.09Å; V54-V77 HydrophobicContact CB-CG2 4.33Å; V54-V77 HydrophobicContact CG1-CG1 4.04Å; V54-V77 HydrophobicContact CG1-CG2 3.72Å; V54-V77 HydrophobicContact CG2-CG1 3.99Å
55	R	98.9	Very high	98.7	Very high	57 Å²	57	57.2 Å²	57.2	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-39.9	-177	-69.4	178.9	-168.7	-73.3	-3.9	112.2	Q51 K52 I58 K59 Y72 C75 V77	Q51-R55 VanDerWaalsContact O-CB 3.29Å; Q51-R55 WeakPolarHBondContact O-CB 3.37Å; Q51-R55 WeakPolarHBondContact O-CD 3.31Å; Q51-R55 WeakPolarHBondContact O-CG 3.35Å; Q51-R55 PolarHBondContact O-N 2.87Å; Q51-R55 VanDerWaalsContact O-N 3.08Å; K52-R55 PolarHBondContact O-N 3.15Å; R55-I58 PolarHBondContact O-N 3.2Å; R55-K59 VanDerWaalsContact O-CB 3.31Å; R55-K59 WeakPolarHBondContact O-CB 3.23Å; R55-K59 PolarHBondContact O-N 3.33Å; R55-Y72 HydrophobicContact CB-CD2 4.22Å; R55-Y72 WeakPolarHBondContact CD-O 3.2Å; R55-Y72 VanDerWaalsContact CG-O 3.27Å; R55-Y72 WeakPolarHBondContact CG-O 3.42Å; R55-Y72 PolarHBondContact NH1-O 3.4Å; R55-Y72 WeakPolarHBondContact O-CB 3.31Å; R55-C75 PolarHBondContact NH1-O 3.38Å; R55-C75 PolarHBondContact NH2-O 3.41Å; R55-V77 HydrophobicContact CG-CG2 4.47Å
56	D	98.9	Very high	98.6	Very high	66 Å²	66	52.9 Å²	52.9	35%	0.353	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-39.1	176.1	-76.2	-18.8	0	0	0	111.9	K52 V54 K59 H60	K52-D56 WeakPolarHBondContact CG-OD2 3.41Å; K52-D56 IonicContact NZ-OD2 3.15Å; K52-D56 PolarHBondContact NZ-OD2 3.34Å; K52-D56 WeakPolarHBondContact O-CB 3.31Å; K52-D56 VanDerWaalsContact O-CG 3.31Å; K52-D56 PolarHBondContact O-N 2.98Å; V54-D56 PolarHBondContact O-N 2.81Å; D56-K59 PolarHBondContact O-N 3.17Å; D56-H60 WeakPolarHBondContact O-CB 3.38Å; D56-H60 PolarHBondContact O-N 3.04Å
57	A	98.9	Very high	98.5	Very high	2 Å²	2	59.4 Å²	59.4	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-46.3	174.5	0	0	0	0	0	111.8	I8 A11 V53 V54 K59 H60 I61	I8-A57 HydrophobicContact CG1-CB 3.96Å; A11-A57 HydrophobicContact CB-CB 4.19Å; V53-A57 PolarHBondContact O-N 3.48Å; V53-A57 VanDerWaalsContact O-N 3.1Å; V54-A57 PolarHBondContact O-N 2.94Å; A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 3.33Å; A57-H60 PolarHBondContact O-N 3.06Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 3.45Å; A57-I61 VanDerWaalsContact O-N 3.1Å
58	I	98.9	Very high	98.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-42.2	176.7	-61.5	156.3	0	0	0	111	I8 V36 V54 R55 H60 I61 G62 Y63 F70	I8-I58 HydrophobicContact CD1-CG1 4.07Å; V36-I58 HydrophobicContact CG2-CD1 3.95Å; V54-I58 HydrophobicContact CG1-CD1 3.71Å; V54-I58 WeakPolarHBondContact O-CD1 3.37Å; V54-I58 VanDerWaalsContact O-CG1 3.31Å; V54-I58 WeakPolarHBondContact O-CG1 3.42Å; V54-I58 PolarHBondContact O-N 3.45Å; R55-I58 PolarHBondContact O-N 3.2Å; I58-H60 PolarHBondContact O-N 3.17Å; I58-I61 WeakPolarHBondContact O-CB 3.17Å; I58-I61 PolarHBondContact O-N 3.36Å; I58-G62 PolarHBondContact O-N 3.12Å; I58-G62 VanDerWaalsContact O-N 3.08Å; I58-Y63 PolarHBondContact O-N 2.94Å; I58-F70 HydrophobicContact CD1-CE1 3.84Å; I58-F70 HydrophobicContact CG1-CE1 4.18Å; I58-F70 HydrophobicContact CG2-CD1 3.79Å; I58-F70 HydrophobicContact CG2-CE1 3.91Å
59	K	98.8	Very high	98.5	Very high	108 Å²	108	54.1 Å²	54.1	47%	0.47	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-45.7	175.8	-177.1	-179.3	-177.9	175.5	0	111.4	R55 D56 A57 I61 G62 Y72	R55-K59 VanDerWaalsContact O-CB 3.31Å; R55-K59 WeakPolarHBondContact O-CB 3.23Å; R55-K59 PolarHBondContact O-N 3.33Å; D56-K59 PolarHBondContact O-N 3.17Å; A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 3.33Å; K59-I61 VanDerWaalsContact C-N 3.31Å; K59-I61 PolarHBondContact O-N 3.04Å; K59-G62 WeakPolarHBondContact O-CA 3.44Å; K59-G62 PolarHBondContact O-N 3.35Å; K59-G62 VanDerWaalsContact O-N 3.11Å; K59-Y72 HydrophobicContact CB-CD1 3.75Å; K59-Y72 HydrophobicContact CB-CD2 4.07Å; K59-Y72 HydrophobicContact CB-CE1 4.01Å; K59-Y72 HydrophobicContact CB-CE2 4.29Å; K59-Y72 HydrophobicContact CB-CG 3.79Å; K59-Y72 HydrophobicContact CD-CD2 4.45Å; K59-Y72 HydrophobicContact CD-CE1 4.05Å; K59-Y72 HydrophobicContact CD-CE2 3.87Å; K59-Y72 HydrophobicContact CG-CD1 3.99Å; K59-Y72 HydrophobicContact CG-CE1 3.72Å; K59-Y72 HydrophobicContact CG-CE2 4.29Å; K59-Y72 HydrophobicContact CG-CG 4.41Å
60	H	98.5	Very high	98.5	Very high	113 Å²	113	50 Å²	50	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-37.8	177.6	178	79.3	0	0	0	112.8	D56 A57 I58 G62 R140	D56-H60 WeakPolarHBondContact O-CB 3.38Å; D56-H60 PolarHBondContact O-N 3.04Å; A57-H60 PolarHBondContact O-N 3.06Å; I58-H60 PolarHBondContact O-N 3.17Å; H60-G62 VanDerWaalsContact C-N 3.28Å; H60-G62 PolarHBondContact O-N 3.1Å; H60-R140 PolarHBondContact NE2-NH2 2.99Å; H60-R140 PolarHBondContact O-NH2 3.42Å
61	I	98.6	Very high	98.5	Very high	13 Å²	13	48.1 Å²	48.1	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-37.9	175.2	-68.2	165.7	0	0	0	110.3	I4 Q7 A57 I58 K59 Y63 R139 P149	I4-I61 HydrophobicContact CB-CD1 4.27Å; I4-I61 HydrophobicContact CG1-CD1 4.14Å; I4-I61 HydrophobicContact CG2-CD1 4.06Å; Q7-I61 HydrophobicContact CB-CD1 4.34Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 3.45Å; A57-I61 VanDerWaalsContact O-N 3.1Å; I58-I61 WeakPolarHBondContact O-CB 3.17Å; I58-I61 PolarHBondContact O-N 3.36Å; K59-I61 VanDerWaalsContact C-N 3.31Å; K59-I61 PolarHBondContact O-N 3.04Å; I61-Y63 HydrophobicContact CG2-CD2 3.85Å; I61-Y63 HydrophobicContact CG2-CE2 4.13Å; I61-R139 PolarHBondContact O-NH1 3.13Å; I61-R139 PolarHBondContact O-NH2 3.24Å; I61-P149 HydrophobicContact CG2-CB 3.88Å
62	G	98.4	Very high	98.5	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.3	20.4	173.7	0	0	0	0	0	114.7	I58 K59 H60 K68	I58-G62 PolarHBondContact O-N 3.12Å; I58-G62 VanDerWaalsContact O-N 3.08Å; K59-G62 WeakPolarHBondContact O-CA 3.44Å; K59-G62 PolarHBondContact O-N 3.35Å; K59-G62 VanDerWaalsContact O-N 3.11Å; H60-G62 VanDerWaalsContact C-N 3.28Å; H60-G62 PolarHBondContact O-N 3.1Å; G62-K68 WeakPolarHBondContact O-CD 3.27Å; G62-K68 PolarHBondContact O-NZ 3.03Å; G62-K68 VanDerWaalsContact O-NZ 3.12Å
63	Y	98.7	Very high	98.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.008	23%	0.232	C	C	.	.			trans	-88.9	94.1	169.4	-80	-63.1	0	0	0	109.8	I4 I58 I61 K68 F70 Y72 P149 D150 Q179 G225	I4-Y63 HydrophobicContact CD1-CD2 4.12Å; I4-Y63 HydrophobicContact CD1-CE2 3.68Å; I58-Y63 PolarHBondContact O-N 2.94Å; I61-Y63 HydrophobicContact CG2-CD2 3.85Å; I61-Y63 HydrophobicContact CG2-CE2 4.13Å; Y63-K68 HydrophobicContact CD1-CB 3.97Å; Y63-K68 HydrophobicContact CE1-CB 4.26Å; Y63-K68 WeakPolarHBondContact CE1-O 3.48Å; Y63-F70 CarbonylContact C-O 3.59Å; Y63-F70 WeakPolarHBondContact CB-O 3.24Å; Y63-F70 HydrophobicContact CD1-CB 3.66Å; Y63-F70 HydrophobicContact CE1-CB 4.25Å; Y63-F70 HydrophobicContact CG-CB 3.87Å; Y63-F70 HydrophobicContact CG-CD1 4.41Å; Y63-Y72 WeakPolarHBondContact O-CD1 3.35Å; Y63-Y72 PolarHBondContact O-N 2.97Å; Y63-P149 HydrophobicContact CD1-CG 4.25Å; Y63-P149 HydrophobicContact CD2-CB 4.2Å; Y63-P149 HydrophobicContact CD2-CG 4.15Å; Y63-P149 HydrophobicContact CE1-CG 4.1Å; Y63-P149 HydrophobicContact CE2-CB 3.71Å; Y63-P149 HydrophobicContact CE2-CG 4Å; Y63-P149 HydrophobicContact CG-CG 4.26Å; Y63-D150 WeakPolarHBondContact OH-CB 3.27Å; Y63-D150 PolarHBondContact OH-N 3.28Å; Y63-Q179 PolarHBondContact OH-OE1 3.46Å; Y63-G225 VanDerWaalsContact OH-CA 3.24Å; Y63-G225 WeakPolarHBondContact OH-CA 3.34Å; Y63-G225 PolarHBondContact OH-N 3.47Å
64	D	98.4	Very high	98.4	Very high	61 Å²	61	50.3 Å²	50.3	33%	0.326	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	10.6	-167.3	59.7	12.1	0	0	0	113.2	K68 D71 Y72 K73	D64-K68 VanDerWaalsContact CG-NZ 3.25Å; D64-K68 WeakPolarHBondContact OD1-CD 3.43Å; D64-K68 WeakPolarHBondContact OD1-CE 3.39Å; D64-K68 IonicContact OD1-NZ 3.04Å; D64-K68 PolarHBondContact OD1-NZ 2.89Å; D64-K68 IonicContact OD2-NZ 2.57Å; D64-K68 PolarHBondContact OD2-NZ 2.96Å; D64-K68 VanDerWaalsContact OD2-NZ 3.13Å; D64-D71 VanDerWaalsContact C-OD1 3.29Å; D64-D71 WeakPolarHBondContact CA-OD1 3.4Å; D64-Y72 HydrophobicContact CB-CD1 4Å; D64-Y72 HydrophobicContact CB-CE1 3.83Å; D64-K73 PolarHBondContact O-NZ 3.01Å
65	N	97.9	Very high	98.4	Very high	61 Å²	61	50.5 Å²	50.5	33%	0.326	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	140.5	-178.6	-170.3	-57.5	0	0	0	109.9	E67 K68 F70	N65-E67 PolarHBondContact O-N 3.35Å; N65-E67 WeakPolarHBondContact OD1-CB 3.32Å; N65-E67 WeakPolarHBondContact OD1-CG 3.45Å; N65-E67 PolarHBondContact OD1-N 3.2Å; N65-K68 HydrophobicContact CB-CG 4.48Å; N65-K68 WeakPolarHBondContact O-CB 3.12Å; N65-K68 PolarHBondContact O-N 2.94Å; N65-F70 VanDerWaalsContact O-O 3.07Å
66	S	97.2	Very high	98.4	Very high	91 Å²	91	51.7 Å²	51.7	64%	0.636	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-55.5	-31.1	176.5	45.3	0	0	0	0	113.8	K68 G69	S66-K68 PolarHBondContact O-N 2.96Å; S66-G69 WeakPolarHBondContact O-CA 3.31Å; S66-G69 PolarHBondContact O-N 3.45Å
67	E	96.8	Very high	98.4	Very high	152 Å²	152	48.9 Å²	48.9	71%	0.71	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.7	174.9	-68.5	178.7	-178.6	0	0	113.2	N65	N65-E67 PolarHBondContact O-N 3.35Å; N65-E67 WeakPolarHBondContact OD1-CB 3.32Å; N65-E67 WeakPolarHBondContact OD1-CG 3.45Å; N65-E67 PolarHBondContact OD1-N 3.2Å
68	K	98.1	Very high	98.4	Very high	32 Å²	32	52.2 Å²	52.2	14%	0.139	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-83.3	-3.3	174	-57.1	-176.2	175.6	169.3	0	112.3	G62 Y63 D64 N65 S66 F70 Q179	G62-K68 WeakPolarHBondContact O-CD 3.27Å; G62-K68 PolarHBondContact O-NZ 3.03Å; G62-K68 VanDerWaalsContact O-NZ 3.12Å; Y63-K68 HydrophobicContact CD1-CB 3.97Å; Y63-K68 HydrophobicContact CE1-CB 4.26Å; Y63-K68 WeakPolarHBondContact CE1-O 3.48Å; D64-K68 VanDerWaalsContact CG-NZ 3.25Å; D64-K68 WeakPolarHBondContact OD1-CD 3.43Å; D64-K68 WeakPolarHBondContact OD1-CE 3.39Å; D64-K68 IonicContact OD1-NZ 3.04Å; D64-K68 PolarHBondContact OD1-NZ 2.89Å; D64-K68 IonicContact OD2-NZ 2.57Å; D64-K68 PolarHBondContact OD2-NZ 2.96Å; D64-K68 VanDerWaalsContact OD2-NZ 3.13Å; N65-K68 HydrophobicContact CB-CG 4.48Å; N65-K68 WeakPolarHBondContact O-CB 3.12Å; N65-K68 PolarHBondContact O-N 2.94Å; S66-K68 PolarHBondContact O-N 2.96Å; K68-F70 VanDerWaalsContact C-N 3.34Å; K68-Q179 PolarHBondContact O-NE2 3.49Å
69	G	97.8	Very high	98.4	Very high	11 Å²	11	55.4 Å²	55.4	11%	0.113	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-3.8	-176.1	0	0	0	0	0	114.6	S66 Q227	S66-G69 WeakPolarHBondContact O-CA 3.31Å; S66-G69 PolarHBondContact O-N 3.45Å; G69-Q227 VanDerWaalsContact CA-OE1 3.32Å
70	F	98.6	Very high	98.4	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	141.6	179.5	-152.8	-104.6	0	0	0	111.2	K32 V36 I58 Y63 N65 K68 C75 P226	K32-F70 WeakPolarHBondContact O-CE2 3.35Å; V36-F70 HydrophobicContact CG2-CE1 4.33Å; V36-F70 HydrophobicContact CG2-CZ 3.89Å; I58-F70 HydrophobicContact CD1-CE1 3.84Å; I58-F70 HydrophobicContact CG1-CE1 4.18Å; I58-F70 HydrophobicContact CG2-CD1 3.79Å; I58-F70 HydrophobicContact CG2-CE1 3.91Å; Y63-F70 CarbonylContact C-O 3.59Å; Y63-F70 WeakPolarHBondContact CB-O 3.24Å; Y63-F70 HydrophobicContact CD1-CB 3.66Å; Y63-F70 HydrophobicContact CE1-CB 4.25Å; Y63-F70 HydrophobicContact CG-CB 3.87Å; Y63-F70 HydrophobicContact CG-CD1 4.41Å; N65-F70 VanDerWaalsContact O-O 3.07Å; K68-F70 VanDerWaalsContact C-N 3.34Å; F70-C75 HydrophobicContact CE1-CB 4.15Å; F70-C75 HydrophobicContact CE2-CB 4.34Å; F70-C75 HydrophobicContact CZ-CB 3.87Å; F70-P226 HydrophobicContact CD1-CG 4.38Å; F70-P226 HydrophobicContact CD2-CB 3.85Å; F70-P226 HydrophobicContact CD2-CG 3.71Å; F70-P226 HydrophobicContact CE1-CG 4.46Å; F70-P226 HydrophobicContact CE2-CB 3.84Å; F70-P226 HydrophobicContact CE2-CG 3.82Å; F70-P226 HydrophobicContact CG-CG 4.01Å; F70-P226 HydrophobicContact CZ-CG 4.2Å
71	D	98.8	Very high	98.4	Very high	14 Å²	14	49 Å²	49	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	122.3	-178.6	-179.5	8	0	0	0	111.6	D64 K73 T74 C75	D64-D71 VanDerWaalsContact C-OD1 3.29Å; D64-D71 WeakPolarHBondContact CA-OD1 3.4Å; D71-K73 PolarHBondContact O-N 2.72Å; D71-K73 VanDerWaalsContact O-N 3.14Å; D71-K73 PolarHBondContact OD1-N 2.96Å; D71-K73 IonicContact OD1-NZ 2.73Å; D71-K73 PolarHBondContact OD1-NZ 3.48Å; D71-K73 WeakPolarHBondContact OD2-CE 3.35Å; D71-K73 IonicContact OD2-NZ 2.97Å; D71-K73 PolarHBondContact OD2-NZ 2.74Å; D71-T74 PolarHBondContact O-N 3.5Å; D71-C75 WeakPolarHBondContact O-CB 3.33Å; D71-C75 PolarHBondContact O-N 3.15Å
72	Y	98.8	Very high	98.4	Very high	47 Å²	47	55.7 Å²	55.7	18%	0.184	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.8	177	80.1	-89.8	0	0	0	114	R55 K59 Y63 D64	R55-Y72 HydrophobicContact CB-CD2 4.22Å; R55-Y72 WeakPolarHBondContact CD-O 3.2Å; R55-Y72 VanDerWaalsContact CG-O 3.27Å; R55-Y72 WeakPolarHBondContact CG-O 3.42Å; R55-Y72 PolarHBondContact NH1-O 3.4Å; R55-Y72 WeakPolarHBondContact O-CB 3.31Å; K59-Y72 HydrophobicContact CB-CD1 3.75Å; K59-Y72 HydrophobicContact CB-CD2 4.07Å; K59-Y72 HydrophobicContact CB-CE1 4.01Å; K59-Y72 HydrophobicContact CB-CE2 4.29Å; K59-Y72 HydrophobicContact CB-CG 3.79Å; K59-Y72 HydrophobicContact CD-CD2 4.45Å; K59-Y72 HydrophobicContact CD-CE1 4.05Å; K59-Y72 HydrophobicContact CD-CE2 3.87Å; K59-Y72 HydrophobicContact CG-CD1 3.99Å; K59-Y72 HydrophobicContact CG-CE1 3.72Å; K59-Y72 HydrophobicContact CG-CE2 4.29Å; K59-Y72 HydrophobicContact CG-CG 4.41Å; Y63-Y72 WeakPolarHBondContact O-CD1 3.35Å; Y63-Y72 PolarHBondContact O-N 2.97Å; D64-Y72 HydrophobicContact CB-CD1 4Å; D64-Y72 HydrophobicContact CB-CE1 3.83Å
73	K	98.8	Very high	98.4	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-30.9	-178	-64.7	-178.9	-60.6	-56	0	112.8	D64 D71	D64-K73 PolarHBondContact O-NZ 3.01Å; D71-K73 PolarHBondContact O-N 2.72Å; D71-K73 VanDerWaalsContact O-N 3.14Å; D71-K73 PolarHBondContact OD1-N 2.96Å; D71-K73 IonicContact OD1-NZ 2.73Å; D71-K73 PolarHBondContact OD1-NZ 3.48Å; D71-K73 WeakPolarHBondContact OD2-CE 3.35Å; D71-K73 IonicContact OD2-NZ 2.97Å; D71-K73 PolarHBondContact OD2-NZ 2.74Å
74	T	98.7	Very high	98.4	Very high	107 Å²	107	62.1 Å²	62.1	66%	0.656	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-10	-166.4	57.2	0	0	0	0	113.5	D71	D71-T74 PolarHBondContact O-N 3.5Å
75	C	98.6	Very high	98.4	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.027	33%	0.33	C	S	.	.			trans	-63.6	146.2	176.4	69.1	0	0	0	0	112	R55 F70 D71	R55-C75 PolarHBondContact NH1-O 3.38Å; R55-C75 PolarHBondContact NH2-O 3.41Å; F70-C75 HydrophobicContact CE1-CB 4.15Å; F70-C75 HydrophobicContact CE2-CB 4.34Å; F70-C75 HydrophobicContact CZ-CB 3.87Å; D71-C75 WeakPolarHBondContact O-CB 3.33Å; D71-C75 PolarHBondContact O-N 3.15Å
76	N	98.8	Very high	98.5	Very high	82 Å²	82	63.3 Å²	63.3	44%	0.439	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.9	168	-172.2	18	0	0	0	109.8	G34 V36 L78	G34-N76 WeakPolarHBondContact O-CB 3.49Å; G34-N76 PolarHBondContact O-N 3.49Å; V36-N76 PolarHBondContact N-O 2.93Å; N76-L78 WeakPolarHBondContact ND2-CG 3.35Å
77	V	98.9	Very high	98.5	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.7	174.5	178.7	0	0	0	0	107	V36 Q51 V54 R55	V36-V77 CarbonylContact O-C 3.53Å; V36-V77 WeakPolarHBondContact O-CA 3.22Å; Q51-V77 PolarHBondContact NE2-O 2.88Å; V54-V77 HydrophobicContact CB-CG1 4.09Å; V54-V77 HydrophobicContact CB-CG2 4.33Å; V54-V77 HydrophobicContact CG1-CG1 4.04Å; V54-V77 HydrophobicContact CG1-CG2 3.72Å; V54-V77 HydrophobicContact CG2-CG1 3.99Å; R55-V77 HydrophobicContact CG-CG2 4.47Å
78	L	98.9	Very high	98.6	Very high	72 Å²	72	60.8 Å²	60.8	38%	0.377	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142	178.4	-63.1	172.1	0	0	0	109.1	M35 V36 L37 L38 N76	M35-L78 HydrophobicContact CG-CD1 4.24Å; M35-L78 HydrophobicContact SD-CD1 4.07Å; V36-L78 PolarHBondContact O-N 3.46Å; L37-L78 WeakPolarHBondContact CA-O 3.47Å; L37-L78 HydrophobicContact CD1-CB 3.77Å; L38-L78 PolarHBondContact N-O 3.44Å; N76-L78 WeakPolarHBondContact ND2-CG 3.35Å
79	V	98.8	Very high	98.6	Very high	67 Å²	67	59.9 Å²	59.9	41%	0.406	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.1	-178	-176.6	0	0	0	0	108.4	L38 Y50 L81	L38-V79 HydrophobicContact CD1-CG2 4.41Å; Y50-V79 HydrophobicContact CD2-CG1 4.24Å; V79-L81 HydrophobicContact CG1-CB 4.1Å; V79-L81 HydrophobicContact CG1-CD1 3.77Å; V79-L81 HydrophobicContact CG1-CG 3.85Å
80	A	98.8	Very high	98.6	Very high	50 Å²	50	65.1 Å²	65.1	41%	0.413	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	62.6	174.4	0	0	0	0	0	108.5	L37 L38 C39 G40	L37-A80 HydrophobicContact CD1-CB 4.19Å; L38-A80 PolarHBondContact O-N 2.86Å; C39-A80 WeakPolarHBondContact CA-O 3.36Å; G40-A80 PolarHBondContact N-O 3.43Å
81	L	98.9	Very high	98.5	Very high	38 Å²	38	66 Å²	66	20%	0.199	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.1	-178.8	-66.9	171.6	0	0	0	109.9	L38 G40 I42 Y50 V79	L38-L81 HydrophobicContact CB-CD1 4.22Å; L38-L81 HydrophobicContact CB-CD2 4.46Å; L38-L81 HydrophobicContact CB-CG 4.27Å; L38-L81 HydrophobicContact CD1-CD1 4.35Å; G40-L81 WeakPolarHBondContact O-CA 3.43Å; I42-L81 HydrophobicContact CD1-CD1 3.84Å; I42-L81 HydrophobicContact CD1-CD2 4.26Å; I42-L81 HydrophobicContact CG1-CD2 4.3Å; Y50-L81 HydrophobicContact CD1-CD1 4.18Å; Y50-L81 HydrophobicContact CE1-CD1 3.74Å; Y50-L81 HydrophobicContact CE2-CD1 4.21Å; V79-L81 HydrophobicContact CG1-CB 4.1Å; V79-L81 HydrophobicContact CG1-CD1 3.77Å; V79-L81 HydrophobicContact CG1-CG 3.85Å
82	E	98.8	Very high	98.5	Very high	153 Å²	153	65.3 Å²	65.3	72%	0.715	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	179	177.2	-68.7	-176.6	-152.8	0	0	111	G40 E41 I42	G40-E82 PolarHBondContact O-N 3.08Å; E41-E82 CarbonylContact C-O 3.59Å; E41-E82 WeakPolarHBondContact CA-O 3.44Å; I42-E82 PolarHBondContact N-O 3.33Å
83	Q	98.6	Very high	98.4	Very high	126 Å²	126	64.9 Å²	64.9	59%	0.589	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-72.9	155.2	171.9	-65.9	-63.6	-44.1	0	0	110.7	I42 T43 S85	I42-Q83 PolarHBondContact O-NE2 2.96Å; I42-Q83 PolarHBondContact O-OE1 3.22Å; T43-Q83 PolarHBondContact OG1-OE1 2.95Å; Q83-S85 PolarHBondContact O-N 3.46Å
84	Q	98.5	Very high	98.4	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.084	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-58.3	137.6	166.6	-177	179.8	49	0	0	109.4	T43 P86 I88 H93	T43-Q84 WeakPolarHBondContact OG1-CB 3.4Å; T43-Q84 PolarHBondContact OG1-N 2.63Å; Q84-P86 WeakPolarHBondContact O-CD 3.22Å; Q84-I88 HydrophobicContact CG-CB 4.45Å; Q84-I88 HydrophobicContact CG-CG2 4.44Å; Q84-H93 PolarHBondContact OE1-NE2 3.3Å
85	S	98.6	Very high	98.3	Very high	44 Å²	44	66.4 Å²	66.4	31%	0.308	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-50.8	127	174	169	0	0	0	0	111.1	Q83 D87 I88 A89	Q83-S85 PolarHBondContact O-N 3.46Å; S85-D87 PolarHBondContact O-N 2.82Å; S85-D87 PolarHBondContact OG-N 3.44Å; S85-I88 PolarHBondContact O-N 2.82Å; S85-I88 VanDerWaalsContact O-N 3.13Å; S85-A89 PolarHBondContact O-N 2.93Å
86	P	98.2	Very high	98.3	Very high	102 Å²	102	71.1 Å²	71.1	66%	0.662	38%	0.381	S	S	*	.	H	α-helix	trans	-57.2	-32	174.5	-26.5	35.3	0	0	0	113.1	Q84 A89 Q90	Q84-P86 WeakPolarHBondContact O-CD 3.22Å; P86-A89 PolarHBondContact O-N 2.92Å; P86-Q90 WeakPolarHBondContact O-CG 3.4Å; P86-Q90 PolarHBondContact O-N 3.36Å
87	D	98.3	Very high	98.2	Very high	123 Å²	123	75.9 Å²	75.9	66%	0.658	39%	0.393	S	S	*	.	H	α-helix	trans	-67.9	-36	178.7	-62.7	-27.7	0	0	0	111.9	S85 Q90 G91	S85-D87 PolarHBondContact O-N 2.82Å; S85-D87 PolarHBondContact OG-N 3.44Å; D87-Q90 WeakPolarHBondContact O-CG 3.42Å; D87-Q90 PolarHBondContact O-NE2 2.78Å; D87-G91 PolarHBondContact O-N 2.93Å
88	I	97.6	Very high	98.1	Very high	68 Å²	68	79.6 Å²	79.6	35%	0.349	41%	0.41	S	S	.	.	H	α-helix	trans	-70.5	-45.5	172.1	-62.6	176.2	0	0	0	109.4	Q84 S85 Q90 G91 V92	Q84-I88 HydrophobicContact CG-CB 4.45Å; Q84-I88 HydrophobicContact CG-CG2 4.44Å; S85-I88 PolarHBondContact O-N 2.82Å; S85-I88 VanDerWaalsContact O-N 3.13Å; I88-Q90 PolarHBondContact O-N 3.3Å; I88-G91 PolarHBondContact O-N 2.98Å; I88-V92 HydrophobicContact CG2-CG2 4.1Å; I88-V92 WeakPolarHBondContact O-CB 3.4Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3Å; I88-V92 VanDerWaalsContact O-N 3.12Å
89	A	98.3	Very high	98.1	Very high	12 Å²	12	80.2 Å²	80.2	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-58.7	-49.5	-177.4	0	0	0	0	0	112.1	S85 P86 G91 V92 H93 I94	S85-A89 PolarHBondContact O-N 2.93Å; P86-A89 PolarHBondContact O-N 2.92Å; A89-G91 VanDerWaalsContact C-N 3.29Å; A89-G91 PolarHBondContact O-N 2.78Å; A89-V92 PolarHBondContact O-N 2.84Å; A89-H93 WeakPolarHBondContact CA-NE2 3.28Å; A89-H93 WeakPolarHBondContact CB-NE2 3.4Å; A89-H93 PolarHBondContact O-N 3.46Å; A89-I94 HydrophobicContact CB-CD1 4.5Å; A89-I94 HydrophobicContact CB-CG1 4.01Å; A89-I94 WeakPolarHBondContact O-CG1 3.25Å; A89-I94 PolarHBondContact O-N 3.37Å; A89-I94 VanDerWaalsContact O-N 3.17Å
90	Q	97.8	Very high	98	Very high	122 Å²	122	79.2 Å²	79.2	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-33.5	-179.9	68.9	77.7	38.9	0	0	113.1	P86 D87 I88	P86-Q90 WeakPolarHBondContact O-CG 3.4Å; P86-Q90 PolarHBondContact O-N 3.36Å; D87-Q90 WeakPolarHBondContact O-CG 3.42Å; D87-Q90 PolarHBondContact O-NE2 2.78Å; I88-Q90 PolarHBondContact O-N 3.3Å
91	G	97.3	Very high	98	Very high	22 Å²	22	77.3 Å²	77.3	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-77.9	-21.3	178.7	0	0	0	0	0	114.1	D87 I88 A89 G294	D87-G91 PolarHBondContact O-N 2.93Å; I88-G91 PolarHBondContact O-N 2.98Å; A89-G91 VanDerWaalsContact C-N 3.29Å; A89-G91 PolarHBondContact O-N 2.78Å; G91-G294 WeakPolarHBondContact O-CA 3.42Å
92	V	98.2	Very high	97.9	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-109.7	-51.3	-167.8	174.4	0	0	0	0	112.8	I88 A89 R96 G102 I293	I88-V92 HydrophobicContact CG2-CG2 4.1Å; I88-V92 WeakPolarHBondContact O-CB 3.4Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3Å; I88-V92 VanDerWaalsContact O-N 3.12Å; A89-V92 PolarHBondContact O-N 2.84Å; V92-R96 VanDerWaalsContact O-CD 3.32Å; V92-R96 WeakPolarHBondContact O-CD 3.45Å; V92-G102 WeakPolarHBondContact CG1-O 3.28Å; V92-G102 PolarHBondContact O-N 2.85Å; V92-I293 HydrophobicContact CG2-CD1 4.46Å; V92-I293 HydrophobicContact CG2-CG1 4Å
93	H	98.1	Very high	97.9	Very high	38 Å²	38	68.2 Å²	68.2	18%	0.176	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-21.9	-164.8	65.8	85.2	0	0	0	116.4	K24 Q84 A89 D95 R96 I101	K24-H93 VanDerWaalsContact CE-CD2 3.47Å; K24-H93 WeakPolarHBondContact CE-CD2 3.31Å; Q84-H93 PolarHBondContact OE1-NE2 3.3Å; A89-H93 WeakPolarHBondContact CA-NE2 3.28Å; A89-H93 WeakPolarHBondContact CB-NE2 3.4Å; A89-H93 PolarHBondContact O-N 3.46Å; H93-D95 PolarHBondContact O-N 2.64Å; H93-R96 PolarHBondContact O-N 3.4Å; H93-I101 HydrophobicContact CB-CG2 4.37Å
94	I	97.7	Very high	97.8	Very high	80 Å²	80	62.6 Å²	62.6	41%	0.41	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	136.5	177.5	-59.1	-64.6	0	0	0	110.1	A89 R96	A89-I94 HydrophobicContact CB-CD1 4.5Å; A89-I94 HydrophobicContact CB-CG1 4.01Å; A89-I94 WeakPolarHBondContact O-CG1 3.25Å; A89-I94 PolarHBondContact O-N 3.37Å; A89-I94 VanDerWaalsContact O-N 3.17Å; I94-R96 PolarHBondContact O-N 2.95Å
95	D	97.3	Very high	97.8	Very high	167 Å²	167	65.5 Å²	65.5	89%	0.893	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	24.3	179.6	-57.8	-36.7	0	0	0	115	H93	H93-D95 PolarHBondContact O-N 2.64Å
96	R	97.8	Very high	97.7	Very high	102 Å²	102	69.8 Å²	69.8	39%	0.385	35%	0.35	S	S	.	.			trans	-110.4	145.8	176.1	-72.8	-179.3	166.7	-150.3	8.2	111.3	V92 H93 I94 D100 G102 G294	V92-R96 VanDerWaalsContact O-CD 3.32Å; V92-R96 WeakPolarHBondContact O-CD 3.45Å; H93-R96 PolarHBondContact O-N 3.4Å; I94-R96 PolarHBondContact O-N 2.95Å; R96-D100 PolarHBondContact NH1-O 3.43Å; R96-G102 VanDerWaalsContact NH1-N 3.14Å; R96-G294 PolarHBondContact NH1-O 2.7Å; R96-G294 PolarHBondContact NH2-O 2.87Å
97	R	97.2	Very high	97.7	Very high	182 Å²	182	66.1 Å²	66.1	69%	0.687	33%	0.33	S	S	*	.			trans	-67.7	143.7	168.1	-60.2	-172.3	-59.5	-178	-0.3	109	E99 D100 I101	R97-E99 VanDerWaalsContact C-N 3.27Å; R97-E99 PolarHBondContact O-N 3.34Å; R97-D100 IonicContact CZ-OD2 2.77Å; R97-D100 VanDerWaalsContact CZ-OD2 3.22Å; R97-D100 IonicContact NE-OD2 3.02Å; R97-D100 PolarHBondContact NE-OD2 3.46Å; R97-D100 IonicContact NH2-OD2 2.61Å; R97-D100 PolarHBondContact NH2-OD2 3.39Å; R97-D100 CarbonylContact O-C 3.57Å; R97-D100 WeakPolarHBondContact O-CA 3.45Å; R97-D100 PolarHBondContact O-N 2.85Å; R97-I101 PolarHBondContact O-N 3.16Å; R97-I101 VanDerWaalsContact O-N 3.16Å
98	E	97.3	Very high	97.7	Very high	86 Å²	86	63.6 Å²	63.6	40%	0.402	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-53.9	-42.4	-176.8	-177.8	159.6	126.4	0	0	113	D100 I101 G329 K338	E98-D100 PolarHBondContact O-N 2.81Å; E98-I101 WeakPolarHBondContact O-CG1 3.32Å; E98-I101 WeakPolarHBondContact O-CG2 3.46Å; E98-I101 PolarHBondContact O-N 2.91Å; E98-G329 WeakPolarHBondContact O-CA 3.49Å; E98-K338 IonicContact OE1-NZ 2.73Å; E98-K338 PolarHBondContact OE1-NZ 3.45Å; E98-K338 VanDerWaalsContact OE1-NZ 3.13Å; E98-K338 IonicContact OE2-NZ 3.28Å; E98-K338 PolarHBondContact OE2-NZ 2.87Å
99	E	97.4	Very high	97.8	Very high	85 Å²	85	60.6 Å²	60.6	40%	0.397	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-65.1	-22.3	179.2	-60	-171	156.7	0	0	113.7	R97 R327 R333	R97-E99 VanDerWaalsContact C-N 3.27Å; R97-E99 PolarHBondContact O-N 3.34Å; E99-R327 PolarHBondContact O-NH1 2.88Å; E99-R333 IonicContact OE1-NH1 3.03Å; E99-R333 PolarHBondContact OE1-NH1 3.32Å; E99-R333 VanDerWaalsContact OE1-NH1 3.08Å
100	D	97.7	Very high	97.8	Very high	45 Å²	45	61.3 Å²	61.3	24%	0.241	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-111.8	13.8	-175.3	-60.2	-44.8	0	0	0	112.7	R96 R97 E98 G102 R327	R96-D100 PolarHBondContact NH1-O 3.43Å; R97-D100 IonicContact CZ-OD2 2.77Å; R97-D100 VanDerWaalsContact CZ-OD2 3.22Å; R97-D100 IonicContact NE-OD2 3.02Å; R97-D100 PolarHBondContact NE-OD2 3.46Å; R97-D100 IonicContact NH2-OD2 2.61Å; R97-D100 PolarHBondContact NH2-OD2 3.39Å; R97-D100 CarbonylContact O-C 3.57Å; R97-D100 WeakPolarHBondContact O-CA 3.45Å; R97-D100 PolarHBondContact O-N 2.85Å; E98-D100 PolarHBondContact O-N 2.81Å; D100-G102 PolarHBondContact O-N 3.05Å; D100-R327 IonicContact OD1-NH1 2.69Å; D100-R327 PolarHBondContact OD1-NH1 3.27Å
101	I	97.8	Very high	97.9	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.051	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.3	143.5	173.2	67.1	166.7	0	0	0	109.8	H93 R97 E98 F258 A296 P328	H93-I101 HydrophobicContact CB-CG2 4.37Å; R97-I101 PolarHBondContact O-N 3.16Å; R97-I101 VanDerWaalsContact O-N 3.16Å; E98-I101 WeakPolarHBondContact O-CG1 3.32Å; E98-I101 WeakPolarHBondContact O-CG2 3.46Å; E98-I101 PolarHBondContact O-N 2.91Å; I101-F258 HydrophobicContact CD1-CD2 4.26Å; I101-F258 HydrophobicContact CD1-CE2 3.33Å; I101-F258 HydrophobicContact CD1-CZ 3.83Å; I101-A296 WeakPolarHBondContact O-CA 3.5Å; I101-A296 VanDerWaalsContact O-CB 3.26Å; I101-A296 WeakPolarHBondContact O-CB 3.22Å; I101-P328 HydrophobicContact CD1-CB 4.33Å; I101-P328 HydrophobicContact CG1-CB 4.34Å
102	G	98.1	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.2	158.7	174	0	0	0	0	0	111.4	V92 R96 D100 G104 G294	V92-G102 WeakPolarHBondContact CG1-O 3.28Å; V92-G102 PolarHBondContact O-N 2.85Å; R96-G102 VanDerWaalsContact NH1-N 3.14Å; D100-G102 PolarHBondContact O-N 3.05Å; G102-G104 PolarHBondContact O-N 3.4Å; G102-G294 VanDerWaalsContact CA-C 3.48Å
103	A	98.4	Very high	98	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-57.1	135.4	161.6	0	0	0	0	0	109.7	D105 V261 Y291 I293 G294 V295	A103-D105 WeakPolarHBondContact CB-O 3.46Å; A103-D105 PolarHBondContact O-N 2.94Å; A103-V261 HydrophobicContact CB-CB 4.48Å; A103-V261 HydrophobicContact CB-CG1 3.6Å; A103-V261 HydrophobicContact CB-CG2 4.04Å; A103-Y291 HydrophobicContact CB-CD1 3.96Å; A103-Y291 HydrophobicContact CB-CG 3.95Å; A103-I293 WeakPolarHBondContact O-CA 3.29Å; A103-G294 PolarHBondContact O-N 2.71Å; A103-V295 PolarHBondContact N-O 2.75Å
104	G	97	Very high	98	Very high	9 Å²	9	52.7 Å²	52.7	9%	0.093	26%	0.256	C	S	.	.	S	Bend	trans	-68.9	-13.7	-179.1	0	0	0	0	0	114.5	G102 S259	G102-G104 PolarHBondContact O-N 3.4Å; G104-S259 VanDerWaalsContact CA-O 3.3Å; G104-S259 WeakPolarHBondContact CA-O 3.48Å; G104-S259 PolarHBondContact N-O 2.64Å
105	D	97.4	Very high	98.1	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	25%	0.251	S	S	.	.	S	Bend	trans	-157.6	167.6	173.3	-160.5	-0.8	0	0	0	109.3	A103 V261	A103-D105 WeakPolarHBondContact CB-O 3.46Å; A103-D105 PolarHBondContact O-N 2.94Å; D105-V261 WeakPolarHBondContact O-CG2 3.41Å
106	Q	97.2	Very high	98.1	Very high	134 Å²	134	44.7 Å²	44.7	63%	0.626	21%	0.213	S	C	*	.			trans	-73.6	159.6	161.3	66	172	49.1	0	0	110.9	Y291	Q106-Y291 VanDerWaalsContact CA-O 3.24Å; Q106-Y291 WeakPolarHBondContact CA-O 3.4Å; Q106-Y291 WeakPolarHBondContact CB-O 3.4Å
107	G	98.1	Very high	98.2	Very high	25 Å²	25	40.8 Å²	40.8	26%	0.258	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	177.8	171.2	0	0	0	0	0	112.6	S290 Y291	G107-S290 CarbonylContact O-C 3.32Å; G107-S290 WeakPolarHBondContact O-CA 3.32Å; G107-S290 VanDerWaalsContact O-CB 3.3Å; G107-S290 WeakPolarHBondContact O-CB 3.35Å; G107-Y291 PolarHBondContact N-O 3.47Å; G107-Y291 VanDerWaalsContact N-O 3.11Å; G107-Y291 PolarHBondContact O-N 2.95Å
108	L	98.4	Very high	98.2	Very high	70 Å²	70	38.8 Å²	38.8	37%	0.366	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.5	174.3	60.9	102	0	0	0	109.1	F110 G249 V289	L108-F110 HydrophobicContact CD1-CD2 4.14Å; L108-F110 HydrophobicContact CD1-CE2 3.3Å; L108-F110 HydrophobicContact CD1-CZ 3.9Å; L108-G249 VanDerWaalsContact CD1-CA 3.45Å; L108-G249 WeakPolarHBondContact O-CA 3.38Å; L108-V289 CarbonylContact C-O 3.55Å; L108-V289 VanDerWaalsContact CA-O 3.3Å; L108-V289 WeakPolarHBondContact CA-O 3.36Å
109	M	98.9	Very high	98.2	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.6	-176.7	-58.2	82.4	-152.6	0	0	109.3	V261 D262 A265 A266 Q288 V289 Y291	M109-V261 HydrophobicContact CE-CB 4.15Å; M109-V261 HydrophobicContact CE-CG2 3.66Å; M109-V261 WeakPolarHBondContact CG-O 3.31Å; M109-V261 HydrophobicContact SD-CB 4.29Å; M109-V261 HydrophobicContact SD-CG2 4.33Å; M109-D262 WeakPolarHBondContact CE-OD1 3.19Å; M109-A265 HydrophobicContact CB-CB 4.46Å; M109-A265 HydrophobicContact CG-CB 4.21Å; M109-A265 HydrophobicContact SD-CB 4.06Å; M109-A266 HydrophobicContact CB-CB 4.2Å; M109-A266 HydrophobicContact CG-CB 4.45Å; M109-Q288 WeakPolarHBondContact O-CA 3.21Å; M109-V289 HydrophobicContact CB-CG2 3.94Å; M109-V289 PolarHBondContact N-O 3.5Å; M109-V289 PolarHBondContact O-N 2.87Å; M109-Y291 HydrophobicContact SD-CD2 4.02Å; M109-Y291 HydrophobicContact SD-CE2 4.26Å
110	F	98.9	Very high	98.3	Very high	27 Å²	27	32.6 Å²	32.6	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.2	179.5	-66.2	-87.5	0	0	0	112.3	L108 A247 L286 V287 Q288	L108-F110 HydrophobicContact CD1-CD2 4.14Å; L108-F110 HydrophobicContact CD1-CE2 3.3Å; L108-F110 HydrophobicContact CD1-CZ 3.9Å; F110-A247 HydrophobicContact CB-CB 4.41Å; F110-A247 HydrophobicContact CD1-CB 3.77Å; F110-A247 HydrophobicContact CD2-CB 3.79Å; F110-A247 HydrophobicContact CE1-CB 3.81Å; F110-A247 HydrophobicContact CE2-CB 3.82Å; F110-A247 HydrophobicContact CG-CB 3.74Å; F110-A247 HydrophobicContact CZ-CB 3.83Å; F110-L286 HydrophobicContact CB-CD1 3.96Å; F110-L286 HydrophobicContact CD1-CD1 3.72Å; F110-L286 HydrophobicContact CD1-CD2 4.15Å; F110-L286 HydrophobicContact CD1-CG 3.96Å; F110-L286 HydrophobicContact CE1-CD2 4.3Å; F110-L286 HydrophobicContact CG-CD1 4.2Å; F110-V287 CarbonylContact C-O 3.52Å; F110-V287 WeakPolarHBondContact CA-O 3.48Å; F110-Q288 HydrophobicContact CD1-CB 3.8Å; F110-Q288 HydrophobicContact CD1-CG 3.98Å; F110-Q288 HydrophobicContact CE1-CB 3.59Å; F110-Q288 HydrophobicContact CE1-CG 3.51Å; F110-Q288 HydrophobicContact CZ-CB 4.46Å; F110-Q288 HydrophobicContact CZ-CG 3.88Å; F110-Q288 VanDerWaalsContact CZ-NE2 3.3Å
111	G	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.4	168.2	0	0	0	0	0	110.1	Y242 A269 L286 V287	G111-Y242 WeakPolarHBondContact CA-OH 3.35Å; G111-A269 VanDerWaalsContact CA-C 3.41Å; G111-L286 CarbonylContact O-C 3.54Å; G111-L286 WeakPolarHBondContact O-CA 3.39Å; G111-V287 PolarHBondContact N-O 3.43Å; G111-V287 PolarHBondContact O-N 2.99Å
112	Y	98.9	Very high	98.4	Very high	1 Å²	1	30 Å²	30	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.8	178.4	179.2	-98.8	0	0	0	111.6	T114 P122 Y242 W245 R270 R284 V285 L286 Y306	Y112-T114 HydrophobicContact CE1-CG2 3.72Å; Y112-P122 HydrophobicContact CD1-CG 4.45Å; Y112-P122 HydrophobicContact CE1-CG 3.92Å; Y112-Y242 HydrophobicContact CD1-CD1 4.04Å; Y112-Y242 HydrophobicContact CD1-CG 4.15Å; Y112-Y242 HydrophobicContact CG-CD1 4.45Å; Y112-Y242 HydrophobicContact CG-CG 4.36Å; Y112-Y242 PolarHBondContact N-OH 3.11Å; Y112-Y242 WeakPolarHBondContact O-CE1 3.39Å; Y112-W245 HydrophobicContact CD1-CB 4.49Å; Y112-W245 HydrophobicContact CE1-CB 4.01Å; Y112-R270 WeakPolarHBondContact O-CD 3.22Å; Y112-R270 PolarHBondContact O-NH1 3.48Å; Y112-R284 HydrophobicContact CE2-CG 3.87Å; Y112-R284 VanDerWaalsContact OH-CD 3.27Å; Y112-R284 WeakPolarHBondContact OH-CD 3.49Å; Y112-R284 WeakPolarHBondContact OH-CG 3.21Å; Y112-V285 WeakPolarHBondContact CA-O 3.48Å; Y112-V285 VanDerWaalsContact CD2-O 3.25Å; Y112-V285 WeakPolarHBondContact CD2-O 3.32Å; Y112-L286 HydrophobicContact CD2-CB 4.42Å; Y112-L286 HydrophobicContact CD2-CD1 4.43Å; Y112-Y306 HydrophobicContact CE2-CE2 4.13Å
113	A	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.9	170.5	0	0	0	0	0	110.8	C120 A273 V277 R284 V285	A113-C120 HydrophobicContact CB-CB 4.25Å; A113-A273 VanDerWaalsContact CB-C 3.5Å; A113-A273 HydrophobicContact CB-CB 3.84Å; A113-A273 WeakPolarHBondContact CB-O 3.4Å; A113-V277 HydrophobicContact CB-CB 4.23Å; A113-V277 HydrophobicContact CB-CG2 3.66Å; A113-R284 WeakPolarHBondContact O-CA 3.37Å; A113-V285 HydrophobicContact CB-CG1 4.44Å; A113-V285 PolarHBondContact N-O 3.27Å; A113-V285 VanDerWaalsContact N-O 3.1Å; A113-V285 PolarHBondContact O-N 2.92Å
114	T	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.7	-179.1	172.9	0	0	0	0	108.4	Y112 E116 C120 P122 R283	Y112-T114 HydrophobicContact CE1-CG2 3.72Å; T114-E116 HydrophobicContact CG2-CG 3.73Å; T114-E116 WeakPolarHBondContact CG2-OE2 3.44Å; T114-E116 PolarHBondContact O-N 3.25Å; T114-E116 WeakPolarHBondContact OG1-CG 3.38Å; T114-E116 PolarHBondContact OG1-N 3.05Å; T114-E116 PolarHBondContact OG1-OE2 2.78Å; T114-C120 PolarHBondContact N-O 3.01Å; T114-C120 CarbonylContact O-C 3.56Å; T114-C120 VanDerWaalsContact O-C 3.27Å; T114-C120 WeakPolarHBondContact O-CA 3.28Å; T114-P122 HydrophobicContact CG2-CG 4.29Å; T114-R283 CarbonylContact C-O 3.44Å
115	D	98.8	Very high	98.6	Very high	55 Å²	55	31.9 Å²	31.9	29%	0.294	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.9	-179.9	77.5	-25.1	0	0	0	114	T117 V277 R283	D115-T117 PolarHBondContact O-N 2.93Å; D115-V277 HydrophobicContact CB-CG1 4.08Å; D115-R283 HydrophobicContact CB-CB 4.44Å; D115-R283 WeakPolarHBondContact CB-O 3.41Å; D115-R283 PolarHBondContact N-O 3.08Å; D115-R283 IonicContact OD1-CZ 3.92Å; D115-R283 IonicContact OD1-NE 3.85Å; D115-R283 IonicContact OD1-NH2 3.29Å; D115-R283 PolarHBondContact OD1-NH2 3.41Å; D115-R283 IonicContact OD2-CZ 3.2Å; D115-R283 IonicContact OD2-NE 2.71Å; D115-R283 PolarHBondContact OD2-NE 2.89Å; D115-R283 IonicContact OD2-NH2 2.81Å; D115-R283 PolarHBondContact OD2-NH2 2.85Å
116	E	98.5	Very high	98.7	Very high	24 Å²	24	28.8 Å²	28.8	11%	0.112	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17	-176.7	73.8	-172.6	-103.1	0	0	114.2	T114 M121 P122 L123 Y159 V166 P168	T114-E116 HydrophobicContact CG2-CG 3.73Å; T114-E116 WeakPolarHBondContact CG2-OE2 3.44Å; T114-E116 PolarHBondContact O-N 3.25Å; T114-E116 WeakPolarHBondContact OG1-CG 3.38Å; T114-E116 PolarHBondContact OG1-N 3.05Å; T114-E116 PolarHBondContact OG1-OE2 2.78Å; E116-M121 WeakPolarHBondContact CG-O 3.3Å; E116-P122 WeakPolarHBondContact OE1-CA 3.39Å; E116-L123 PolarHBondContact OE1-N 2.78Å; E116-Y159 VanDerWaalsContact OE1-CE1 3.25Å; E116-Y159 WeakPolarHBondContact OE1-CE1 3.34Å; E116-Y159 PolarHBondContact OE1-OH 3.41Å; E116-V166 WeakPolarHBondContact OE2-CG2 3.36Å; E116-P168 HydrophobicContact CB-CG 4.21Å
117	T	98.8	Very high	98.7	Very high	19 Å²	19	22.7 Å²	22.7	12%	0.117	12%	0.121	C	C	.	.	S	Bend	trans	-135	160.7	172.3	63.1	0	0	0	0	111.2	D115 E119 C120 M121 L123	D115-T117 PolarHBondContact O-N 2.93Å; T117-E119 VanDerWaalsContact C-N 3.31Å; T117-E119 WeakPolarHBondContact CB-OE2 3.49Å; T117-E119 PolarHBondContact O-N 2.69Å; T117-C120 PolarHBondContact O-N 2.81Å; T117-C120 VanDerWaalsContact O-N 3.12Å; T117-M121 WeakPolarHBondContact CG2-O 3.42Å; T117-M121 PolarHBondContact OG1-N 3.42Å; T117-M121 PolarHBondContact OG1-O 2.89Å; T117-L123 HydrophobicContact CG2-CB 4.03Å; T117-L123 HydrophobicContact CG2-CD1 3.96Å
118	E	98	Very high	98.8	Very high	141 Å²	141	21.9 Å²	21.9	66%	0.659	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-40.6	179.6	-168.9	-72.2	129.3	0	0	111	C120 K278	E118-C120 PolarHBondContact O-N 3.06Å; E118-K278 WeakPolarHBondContact O-CE 3.49Å; E118-K278 PolarHBondContact O-NZ 2.97Å; E118-K278 IonicContact OE1-NZ 3.16Å; E118-K278 PolarHBondContact OE1-NZ 2.98Å
119	E	98.1	Very high	98.8	Very high	36 Å²	36	19.5 Å²	19.5	17%	0.168	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	4.3	177.5	57.4	-93.5	-118.7	0	0	113.9	T117 M121 V126 K130 R270 G352	T117-E119 VanDerWaalsContact C-N 3.31Å; T117-E119 WeakPolarHBondContact CB-OE2 3.49Å; T117-E119 PolarHBondContact O-N 2.69Å; E119-M121 VanDerWaalsContact C-N 3.31Å; E119-M121 HydrophobicContact CG-CB 4.09Å; E119-M121 HydrophobicContact CG-CG 4.39Å; E119-M121 PolarHBondContact O-N 3.33Å; E119-V126 HydrophobicContact CG-CG2 4.09Å; E119-V126 VanDerWaalsContact OE1-CG1 3.31Å; E119-V126 WeakPolarHBondContact OE1-CG1 3.49Å; E119-K130 IonicContact OE1-NZ 2.84Å; E119-K130 PolarHBondContact OE1-NZ 2.91Å; E119-K130 VanDerWaalsContact OE1-NZ 3.08Å; E119-R270 PolarHBondContact O-NH2 3.2Å; E119-G352 WeakPolarHBondContact CB-O 3.3Å
120	C	98.9	Very high	98.8	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.027	12%	0.117	C	C	.	.	S	Bend	trans	55.9	37.7	-177.2	-64.3	0	0	0	0	114.6	A113 T114 T117 E118 R270 K274 K278	A113-C120 HydrophobicContact CB-CB 4.25Å; T114-C120 PolarHBondContact N-O 3.01Å; T114-C120 CarbonylContact O-C 3.56Å; T114-C120 VanDerWaalsContact O-C 3.27Å; T114-C120 WeakPolarHBondContact O-CA 3.28Å; T117-C120 PolarHBondContact O-N 2.81Å; T117-C120 VanDerWaalsContact O-N 3.12Å; E118-C120 PolarHBondContact O-N 3.06Å; C120-R270 PolarHBondContact O-NH1 3.28Å; C120-K274 HydrophobicContact CB-CG 4.06Å; C120-K278 WeakPolarHBondContact SG-CE 3.39Å
121	M	98.9	Very high	98.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	-122.9	156.8	-178.4	-74.6	-66.6	-76.2	0	0	111.8	E116 T117 E119 L123 I125 V126 T241 Y242 R270 F351	E116-M121 WeakPolarHBondContact CG-O 3.3Å; T117-M121 WeakPolarHBondContact CG2-O 3.42Å; T117-M121 PolarHBondContact OG1-N 3.42Å; T117-M121 PolarHBondContact OG1-O 2.89Å; E119-M121 VanDerWaalsContact C-N 3.31Å; E119-M121 HydrophobicContact CG-CB 4.09Å; E119-M121 HydrophobicContact CG-CG 4.39Å; E119-M121 PolarHBondContact O-N 3.33Å; M121-L123 PolarHBondContact O-N 2.84Å; M121-I125 HydrophobicContact CE-CG2 4.01Å; M121-V126 HydrophobicContact CB-CG2 3.57Å; M121-T241 VanDerWaalsContact CE-O 3.31Å; M121-T241 WeakPolarHBondContact CE-O 3.44Å; M121-Y242 HydrophobicContact CE-CD1 4.06Å; M121-Y242 HydrophobicContact SD-CD1 4Å; M121-Y242 HydrophobicContact SD-CE1 4.16Å; M121-R270 PolarHBondContact SD-NH1 3.36Å; M121-F351 HydrophobicContact CE-CB 3.86Å; M121-F351 HydrophobicContact SD-CB 3.77Å
122	P	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.			trans	-60	131.5	172.7	-21.2	31.2	0	0	0	112.2	Y112 T114 E116 T124 I125 V126 W245	Y112-P122 HydrophobicContact CD1-CG 4.45Å; Y112-P122 HydrophobicContact CE1-CG 3.92Å; T114-P122 HydrophobicContact CG2-CG 4.29Å; E116-P122 WeakPolarHBondContact OE1-CA 3.39Å; P122-T124 PolarHBondContact O-N 3.19Å; P122-I125 HydrophobicContact CB-CG2 4.15Å; P122-I125 HydrophobicContact CG-CG2 4.3Å; P122-I125 WeakPolarHBondContact O-CG2 3.45Å; P122-I125 PolarHBondContact O-N 3.04Å; P122-V126 WeakPolarHBondContact O-CG2 3.44Å; P122-V126 PolarHBondContact O-N 3.3Å; P122-V126 VanDerWaalsContact O-N 3.16Å; P122-W245 HydrophobicContact CB-CB 4.49Å; P122-W245 HydrophobicContact CB-CD2 4.42Å; P122-W245 HydrophobicContact CB-CG 3.86Å; P122-W245 HydrophobicContact CG-CB 3.7Å; P122-W245 VanDerWaalsContact CG-CD1 3.47Å; P122-W245 HydrophobicContact CG-CD2 4.45Å; P122-W245 HydrophobicContact CG-CG 3.6Å
123	L	98.9	Very high	98.8	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.068	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-34.1	179.9	-176.8	66.2	0	0	0	111.5	E116 T117 M121 I125 V126 L127 P168 Y206	E116-L123 PolarHBondContact OE1-N 2.78Å; T117-L123 HydrophobicContact CG2-CB 4.03Å; T117-L123 HydrophobicContact CG2-CD1 3.96Å; M121-L123 PolarHBondContact O-N 2.84Å; L123-I125 PolarHBondContact O-N 3.07Å; L123-V126 PolarHBondContact O-N 2.86Å; L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CD2 4.33Å; L123-L127 HydrophobicContact CD1-CG 3.92Å; L123-L127 HydrophobicContact CD2-CD1 4.3Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.11Å; L123-L127 WeakPolarHBondContact O-CB 3.32Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.39Å; L123-L127 PolarHBondContact O-N 3.12Å; L123-P168 HydrophobicContact CB-CG 4.06Å; L123-P168 HydrophobicContact CD2-CB 3.48Å; L123-P168 VanDerWaalsContact CD2-CB 3.48Å; L123-P168 HydrophobicContact CD2-CG 3.73Å; L123-Y206 HydrophobicContact CD2-CD2 4.27Å; L123-Y206 HydrophobicContact CD2-CE1 4.44Å; L123-Y206 HydrophobicContact CD2-CE2 3.78Å
124	T	98.9	Very high	98.8	Very high	20 Å²	20	28.2 Å²	28.2	12%	0.123	14%	0.144	C	C	.	.	H	α-helix	trans	-55.1	-53.8	178	51.6	0	0	0	0	112.3	P122 A128 V157 Y159 W245	P122-T124 PolarHBondContact O-N 3.19Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 2.84Å; T124-A128 VanDerWaalsContact O-N 3.11Å; T124-V157 HydrophobicContact CG2-CB 3.75Å; T124-V157 HydrophobicContact CG2-CG2 3.67Å; T124-Y159 HydrophobicContact CG2-CE2 3.99Å; T124-W245 PolarHBondContact OG1-NE1 2.91Å; T124-W245 VanDerWaalsContact OG1-NE1 3.15Å
125	I	98.9	Very high	98.8	Very high	15 Å²	15	28.4 Å²	28.4	8%	0.077	15%	0.145	C	C	.	.	H	α-helix	trans	-75.7	-34.4	-175.5	-162.5	61.6	0	0	0	111.5	M121 P122 L123 L127 A128 H129	M121-I125 HydrophobicContact CE-CG2 4.01Å; P122-I125 HydrophobicContact CB-CG2 4.15Å; P122-I125 HydrophobicContact CG-CG2 4.3Å; P122-I125 WeakPolarHBondContact O-CG2 3.45Å; P122-I125 PolarHBondContact O-N 3.04Å; L123-I125 PolarHBondContact O-N 3.07Å; I125-L127 PolarHBondContact O-N 3.03Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-H129 WeakPolarHBondContact CG1-NE2 3.34Å; I125-H129 PolarHBondContact O-CD2 2.89Å; I125-H129 VanDerWaalsContact O-CG 3.32Å; I125-H129 PolarHBondContact O-N 3.1Å
126	V	98.9	Very high	98.8	Very high	13 Å²	13	26.1 Å²	26.1	8%	0.079	13%	0.134	C	C	.	.	H	α-helix	trans	-57.9	-49.7	173.4	168.9	0	0	0	0	110.9	E119 M121 P122 L123 H129 K130	E119-V126 HydrophobicContact CG-CG2 4.09Å; E119-V126 VanDerWaalsContact OE1-CG1 3.31Å; E119-V126 WeakPolarHBondContact OE1-CG1 3.49Å; M121-V126 HydrophobicContact CB-CG2 3.57Å; P122-V126 WeakPolarHBondContact O-CG2 3.44Å; P122-V126 PolarHBondContact O-N 3.3Å; P122-V126 VanDerWaalsContact O-N 3.16Å; L123-V126 PolarHBondContact O-N 2.86Å; V126-H129 PolarHBondContact O-N 3.39Å; V126-K130 HydrophobicContact CG1-CD 3.94Å; V126-K130 WeakPolarHBondContact O-CB 3.32Å; V126-K130 WeakPolarHBondContact O-CG 3.44Å; V126-K130 PolarHBondContact O-N 2.91Å
127	L	98.9	Very high	98.8	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-42.7	178.6	-68.8	178.6	0	0	0	111.5	L123 I125 H129 K130 L131 V155 V171 V201 V202	L123-L127 HydrophobicContact CD1-CD1 4.09Å; L123-L127 HydrophobicContact CD1-CD2 4.33Å; L123-L127 HydrophobicContact CD1-CG 3.92Å; L123-L127 HydrophobicContact CD2-CD1 4.3Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.11Å; L123-L127 WeakPolarHBondContact O-CB 3.32Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.39Å; L123-L127 PolarHBondContact O-N 3.12Å; I125-L127 PolarHBondContact O-N 3.03Å; L127-H129 VanDerWaalsContact C-N 3.34Å; L127-H129 PolarHBondContact O-N 3.34Å; L127-K130 PolarHBondContact O-N 2.73Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 2.9Å; L127-V155 HydrophobicContact CB-CB 4.49Å; L127-V155 HydrophobicContact CB-CG1 4.26Å; L127-V155 HydrophobicContact CB-CG2 4.08Å; L127-V155 HydrophobicContact CD1-CG1 4.17Å; L127-V171 HydrophobicContact CD1-CG2 3.98Å; L127-V201 HydrophobicContact CD2-CG1 4.32Å; L127-V202 HydrophobicContact CD1-CG1 4.32Å; L127-V202 HydrophobicContact CD2-CG2 4.37Å
128	A	98.9	Very high	98.8	Very high	8 Å²	8	28.9 Å²	28.9	7%	0.066	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-43.5	176.9	0	0	0	0	0	112.2	T124 I125 N132 T153 V155	T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 2.84Å; T124-A128 VanDerWaalsContact O-N 3.11Å; I125-A128 PolarHBondContact O-N 2.91Å; A128-N132 PolarHBondContact O-N 2.94Å; A128-N132 PolarHBondContact O-ND2 2.86Å; A128-T153 WeakPolarHBondContact CA-OG1 3.19Å; A128-T153 PolarHBondContact O-OG1 2.86Å; A128-V155 HydrophobicContact CB-CG2 4.14Å
129	H	98.9	Very high	98.8	Very high	20 Å²	20	24.2 Å²	24.2	9%	0.093	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-46.4	175.1	-68.2	-23.4	0	0	0	112.4	I125 V126 L127 L131 N132 S133 V239 Y348	I125-H129 WeakPolarHBondContact CG1-NE2 3.34Å; I125-H129 PolarHBondContact O-CD2 2.89Å; I125-H129 VanDerWaalsContact O-CG 3.32Å; I125-H129 PolarHBondContact O-N 3.1Å; V126-H129 PolarHBondContact O-N 3.39Å; L127-H129 VanDerWaalsContact C-N 3.34Å; L127-H129 PolarHBondContact O-N 3.34Å; H129-L131 VanDerWaalsContact C-N 3.29Å; H129-L131 PolarHBondContact O-N 3.13Å; H129-N132 PolarHBondContact O-N 3.49Å; H129-S133 PolarHBondContact O-N 2.81Å; H129-V239 PolarHBondContact CE1-O 3.35Å; H129-V239 PolarHBondContact NE2-O 3.32Å; H129-Y348 PolarHBondContact CD2-O 3.17Å
130	K	98.9	Very high	98.8	Very high	98 Å²	98	28.3 Å²	28.3	43%	0.426	14%	0.136	S	C	.	.	H	α-helix	trans	-62.6	-34.5	-179.8	-72.3	176.1	-178.5	165.4	0	112	E119 V126 L127 S133 K134 V201	E119-K130 IonicContact OE1-NZ 2.84Å; E119-K130 PolarHBondContact OE1-NZ 2.91Å; E119-K130 VanDerWaalsContact OE1-NZ 3.08Å; V126-K130 HydrophobicContact CG1-CD 3.94Å; V126-K130 WeakPolarHBondContact O-CB 3.32Å; V126-K130 WeakPolarHBondContact O-CG 3.44Å; V126-K130 PolarHBondContact O-N 2.91Å; L127-K130 PolarHBondContact O-N 2.73Å; K130-S133 PolarHBondContact O-N 2.84Å; K130-K134 WeakPolarHBondContact O-CB 3.2Å; K130-K134 PolarHBondContact O-N 2.83Å; K130-V201 HydrophobicContact CB-CG1 3.45Å; K130-V201 VanDerWaalsContact CB-CG1 3.45Å; K130-V201 HydrophobicContact CB-CG2 4.47Å
131	L	98.9	Very high	98.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-46.4	173.7	-69.9	168.8	0	0	0	112.1	L127 H129 K134 M135 T153 V155 I174 I176 V197 I198 V201 V202	L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 2.9Å; H129-L131 VanDerWaalsContact C-N 3.29Å; H129-L131 PolarHBondContact O-N 3.13Å; L131-K134 PolarHBondContact O-N 3.01Å; L131-M135 WeakPolarHBondContact O-CG 3.45Å; L131-M135 PolarHBondContact O-N 3.39Å; L131-M135 VanDerWaalsContact O-N 3.08Å; L131-T153 HydrophobicContact CB-CG2 3.82Å; L131-V155 HydrophobicContact CD1-CG2 3.71Å; L131-I174 HydrophobicContact CD1-CG2 4.05Å; L131-I176 HydrophobicContact CD2-CD1 4.37Å; L131-V197 HydrophobicContact CD2-CG1 3.89Å; L131-I198 HydrophobicContact CD2-CG1 3.98Å; L131-V201 HydrophobicContact CD2-CB 3.95Å; L131-V201 HydrophobicContact CD2-CG1 4.06Å; L131-V201 HydrophobicContact CD2-CG2 4.33Å; L131-V201 HydrophobicContact CG-CG1 4.12Å; L131-V202 HydrophobicContact CD2-CG2 4.45Å
132	N	98.9	Very high	98.8	Very high	24 Å²	24	34 Å²	34	13%	0.128	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-42.2	175.3	-73.1	-70.1	0	0	0	112.2	A128 H129 K134 M135 A136 S151 T153 Y348	A128-N132 PolarHBondContact O-N 2.94Å; A128-N132 PolarHBondContact O-ND2 2.86Å; H129-N132 PolarHBondContact O-N 3.49Å; N132-K134 VanDerWaalsContact C-N 3.33Å; N132-K134 PolarHBondContact O-N 3.42Å; N132-M135 PolarHBondContact O-N 3.14Å; N132-A136 PolarHBondContact O-N 3.49Å; N132-S151 WeakPolarHBondContact OD1-CB 3.37Å; N132-S151 PolarHBondContact OD1-OG 2.98Å; N132-T153 PolarHBondContact ND2-OG1 3.06Å; N132-Y348 HydrophobicContact CB-CD1 4.38Å; N132-Y348 HydrophobicContact CB-CE1 4.02Å
133	S	98.6	Very high	98.7	Very high	54 Å²	54	37.2 Å²	37.2	38%	0.378	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-43.2	177.4	-174.5	0	0	0	0	111.1	H129 K130 M135 A136 E137	H129-S133 PolarHBondContact O-N 2.81Å; K130-S133 PolarHBondContact O-N 2.84Å; S133-M135 PolarHBondContact O-N 3.03Å; S133-A136 WeakPolarHBondContact O-CB 3.17Å; S133-A136 PolarHBondContact O-N 3.44Å; S133-A136 VanDerWaalsContact O-N 3.14Å; S133-E137 PolarHBondContact O-N 3.48Å
134	K	98.9	Very high	98.7	Very high	42 Å²	42	36.7 Å²	36.7	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-40.9	176.8	-173.1	55.4	169.2	-178.4	0	112.7	K130 L131 N132 A136 E137 L138 V197 V201	K130-K134 WeakPolarHBondContact O-CB 3.2Å; K130-K134 PolarHBondContact O-N 2.83Å; L131-K134 PolarHBondContact O-N 3.01Å; N132-K134 VanDerWaalsContact C-N 3.33Å; N132-K134 PolarHBondContact O-N 3.42Å; K134-A136 VanDerWaalsContact C-N 3.33Å; K134-A136 PolarHBondContact O-N 3.33Å; K134-E137 WeakPolarHBondContact CD-OE2 3.18Å; K134-E137 IonicContact NZ-OE1 2.83Å; K134-E137 PolarHBondContact NZ-OE1 2.92Å; K134-E137 IonicContact NZ-OE2 2.69Å; K134-E137 PolarHBondContact NZ-OE2 3.39Å; K134-E137 WeakPolarHBondContact O-CB 3.33Å; K134-E137 PolarHBondContact O-N 3.4Å; K134-L138 HydrophobicContact CD-CG 4.31Å; K134-L138 HydrophobicContact CG-CD1 4.33Å; K134-L138 VanDerWaalsContact O-CG 3.32Å; K134-L138 WeakPolarHBondContact O-CG 3.49Å; K134-L138 PolarHBondContact O-N 2.83Å; K134-V197 HydrophobicContact CB-CG1 4.23Å; K134-V197 HydrophobicContact CG-CG1 4.27Å; K134-V201 HydrophobicContact CB-CG2 3.62Å; K134-V201 HydrophobicContact CG-CG2 3.93Å
135	M	98.9	Very high	98.6	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-41.1	173.6	-71.1	-174.5	-67.9	0	0	111.9	L131 N132 S133 L138 R139 L147 T153 I176 V178 L193 V197	L131-M135 WeakPolarHBondContact O-CG 3.45Å; L131-M135 PolarHBondContact O-N 3.39Å; L131-M135 VanDerWaalsContact O-N 3.08Å; N132-M135 PolarHBondContact O-N 3.14Å; S133-M135 PolarHBondContact O-N 3.03Å; M135-L138 PolarHBondContact O-N 3.4Å; M135-R139 VanDerWaalsContact O-CB 3.27Å; M135-R139 WeakPolarHBondContact O-CB 3.35Å; M135-R139 PolarHBondContact O-N 3.41Å; M135-L147 HydrophobicContact CB-CD1 4.27Å; M135-L147 WeakPolarHBondContact O-CD1 3.26Å; M135-T153 HydrophobicContact CE-CG2 3.56Å; M135-I176 HydrophobicContact CE-CG2 3.99Å; M135-I176 HydrophobicContact SD-CG2 3.64Å; M135-V178 HydrophobicContact SD-CB 3.94Å; M135-V178 HydrophobicContact SD-CG1 4.07Å; M135-V178 HydrophobicContact SD-CG2 4.2Å; M135-L193 HydrophobicContact CG-CD2 4.49Å; M135-L193 HydrophobicContact SD-CD2 3.91Å; M135-V197 HydrophobicContact CG-CB 4.49Å; M135-V197 HydrophobicContact CG-CG1 3.78Å; M135-V197 HydrophobicContact CG-CG2 3.87Å
136	A	98.8	Very high	98.6	Very high	7 Å²	7	39.8 Å²	39.8	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-39.5	176.2	0	0	0	0	0	112.6	N132 S133 K134 R139 R140 Y348	N132-A136 PolarHBondContact O-N 3.49Å; S133-A136 WeakPolarHBondContact O-CB 3.17Å; S133-A136 PolarHBondContact O-N 3.44Å; S133-A136 VanDerWaalsContact O-N 3.14Å; K134-A136 VanDerWaalsContact C-N 3.33Å; K134-A136 PolarHBondContact O-N 3.33Å; A136-R139 PolarHBondContact O-N 3.08Å; A136-R140 WeakPolarHBondContact O-CB 3.34Å; A136-R140 VanDerWaalsContact O-CG 3.27Å; A136-R140 WeakPolarHBondContact O-CG 3.47Å; A136-R140 PolarHBondContact O-N 2.84Å; A136-Y348 WeakPolarHBondContact CB-OH 3.36Å
137	E	98.8	Very high	98.6	Very high	91 Å²	91	39.4 Å²	39.4	43%	0.425	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-54	173.7	-175.2	-153.3	128.7	0	0	111.1	S133 K134 R139 R140 N141	S133-E137 PolarHBondContact O-N 3.48Å; K134-E137 WeakPolarHBondContact CD-OE2 3.18Å; K134-E137 IonicContact NZ-OE1 2.83Å; K134-E137 PolarHBondContact NZ-OE1 2.92Å; K134-E137 IonicContact NZ-OE2 2.69Å; K134-E137 PolarHBondContact NZ-OE2 3.39Å; K134-E137 WeakPolarHBondContact O-CB 3.33Å; K134-E137 PolarHBondContact O-N 3.4Å; E137-R139 VanDerWaalsContact C-N 3.28Å; E137-R139 PolarHBondContact O-N 2.87Å; E137-R140 PolarHBondContact O-N 2.88Å; E137-N141 PolarHBondContact O-N 2.9Å; E137-N141 PolarHBondContact O-ND2 2.77Å; E137-N141 PolarHBondContact O-OD1 3.42Å
138	L	98.8	Very high	98.6	Very high	10 Å²	10	41 Å²	41	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-30.6	-178.6	-66.6	179.8	0	0	0	113.2	K134 M135 N141 T143 V144 L147 K196 V197	K134-L138 HydrophobicContact CD-CG 4.31Å; K134-L138 HydrophobicContact CG-CD1 4.33Å; K134-L138 VanDerWaalsContact O-CG 3.32Å; K134-L138 WeakPolarHBondContact O-CG 3.49Å; K134-L138 PolarHBondContact O-N 2.83Å; M135-L138 PolarHBondContact O-N 3.4Å; L138-N141 WeakPolarHBondContact CA-OD1 3.48Å; L138-N141 PolarHBondContact O-OD1 2.92Å; L138-T143 HydrophobicContact CD2-CG2 4.01Å; L138-T143 PolarHBondContact O-N 3.05Å; L138-T143 VanDerWaalsContact O-N 3.15Å; L138-V144 HydrophobicContact CB-CB 4.18Å; L138-V144 HydrophobicContact CB-CG2 3.91Å; L138-V144 HydrophobicContact CD1-CG2 4.01Å; L138-V144 HydrophobicContact CG-CG2 4.45Å; L138-V144 PolarHBondContact O-N 3.33Å; L138-L147 HydrophobicContact CB-CD1 4.36Å; L138-K196 HydrophobicContact CD1-CB 3.95Å; L138-V197 HydrophobicContact CD1-CG2 3.89Å
139	R	98.7	Very high	98.5	Very high	42 Å²	42	41.7 Å²	41.7	16%	0.158	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-50.2	172	178	176.5	59.6	83	-7.8	111.2	I61 M135 A136 E137 G142 L147	I61-R139 PolarHBondContact O-NH1 3.13Å; I61-R139 PolarHBondContact O-NH2 3.24Å; M135-R139 VanDerWaalsContact O-CB 3.27Å; M135-R139 WeakPolarHBondContact O-CB 3.35Å; M135-R139 PolarHBondContact O-N 3.41Å; A136-R139 PolarHBondContact O-N 3.08Å; E137-R139 VanDerWaalsContact C-N 3.28Å; E137-R139 PolarHBondContact O-N 2.87Å; R139-G142 PolarHBondContact O-N 2.98Å; R139-L147 HydrophobicContact CB-CB 3.84Å; R139-L147 HydrophobicContact CB-CD1 4.27Å; R139-L147 WeakPolarHBondContact CD-O 3.25Å; R139-L147 HydrophobicContact CG-CB 4.04Å; R139-L147 WeakPolarHBondContact CG-O 3.47Å
140	R	98.2	Very high	98.5	Very high	122 Å²	122	41.4 Å²	41.4	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-69.8	-34	-174.5	-75.6	170.7	170.9	156.6	-7	112.6	H60 A136 E137 G142	H60-R140 PolarHBondContact NE2-NH2 2.99Å; H60-R140 PolarHBondContact O-NH2 3.42Å; A136-R140 WeakPolarHBondContact O-CB 3.34Å; A136-R140 VanDerWaalsContact O-CG 3.27Å; A136-R140 WeakPolarHBondContact O-CG 3.47Å; A136-R140 PolarHBondContact O-N 2.84Å; E137-R140 PolarHBondContact O-N 2.88Å; R140-G142 VanDerWaalsContact C-N 3.3Å
141	N	98.2	Very high	98.5	Very high	84 Å²	84	38.2 Å²	38.2	45%	0.449	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1	177.7	74.5	16.1	0	0	0	113.9	E137 L138 T143	E137-N141 PolarHBondContact O-N 2.9Å; E137-N141 PolarHBondContact O-ND2 2.77Å; E137-N141 PolarHBondContact O-OD1 3.42Å; L138-N141 WeakPolarHBondContact CA-OD1 3.48Å; L138-N141 PolarHBondContact O-OD1 2.92Å; N141-T143 VanDerWaalsContact C-N 3.29Å; N141-T143 PolarHBondContact O-N 3.24Å; N141-T143 WeakPolarHBondContact OD1-CB 3.48Å; N141-T143 PolarHBondContact OD1-N 2.67Å; N141-T143 PolarHBondContact OD1-OG1 3.2Å
142	G	98	Very high	98.5	Very high	43 Å²	43	43.6 Å²	43.6	44%	0.443	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	2.2	178.1	0	0	0	0	0	115.6	R139 R140 V144 P145	R139-G142 PolarHBondContact O-N 2.98Å; R140-G142 VanDerWaalsContact C-N 3.3Å; G142-V144 VanDerWaalsContact C-N 3.26Å; G142-V144 PolarHBondContact O-N 3.17Å; G142-P145 WeakPolarHBondContact O-CD 3.49Å
143	T	98.3	Very high	98.5	Very high	66 Å²	66	43.6 Å²	43.6	41%	0.405	23%	0.234	S	C	.	.	S	Bend	trans	-65	-32	178.8	-59.4	0	0	0	0	112.2	L138 N141 K196	L138-T143 HydrophobicContact CD2-CG2 4.01Å; L138-T143 PolarHBondContact O-N 3.05Å; L138-T143 VanDerWaalsContact O-N 3.15Å; N141-T143 VanDerWaalsContact C-N 3.29Å; N141-T143 PolarHBondContact O-N 3.24Å; N141-T143 WeakPolarHBondContact OD1-CB 3.48Å; N141-T143 PolarHBondContact OD1-N 2.67Å; N141-T143 PolarHBondContact OD1-OG1 3.2Å; T143-K196 HydrophobicContact CG2-CD 4.31Å
144	V	98.2	Very high	98.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	24%	0.243	C	C	.	.	S	Bend	trans	-131.3	78.9	175.9	-170.1	0	0	0	0	108.1	L138 G142 W146 L147 I192 K196	L138-V144 HydrophobicContact CB-CB 4.18Å; L138-V144 HydrophobicContact CB-CG2 3.91Å; L138-V144 HydrophobicContact CD1-CG2 4.01Å; L138-V144 HydrophobicContact CG-CG2 4.45Å; L138-V144 PolarHBondContact O-N 3.33Å; G142-V144 VanDerWaalsContact C-N 3.26Å; G142-V144 PolarHBondContact O-N 3.17Å; V144-W146 VanDerWaalsContact C-N 3.28Å; V144-W146 HydrophobicContact CG1-CD2 3.84Å; V144-W146 HydrophobicContact CG1-CG 4.22Å; V144-W146 HydrophobicContact CG1-CH2 4.32Å; V144-W146 HydrophobicContact CG1-CZ2 3.53Å; V144-W146 VanDerWaalsContact CG1-NE1 3.32Å; V144-W146 PolarHBondContact O-N 3.04Å; V144-L147 HydrophobicContact CB-CD1 3.73Å; V144-L147 HydrophobicContact CB-CG 4.13Å; V144-L147 HydrophobicContact CG1-CD1 3.71Å; V144-L147 HydrophobicContact CG1-CG 3.64Å; V144-L147 PolarHBondContact O-N 2.95Å; V144-I192 HydrophobicContact CG1-CG2 3.89Å; V144-I192 HydrophobicContact CG2-CG2 3.81Å; V144-K196 HydrophobicContact CG2-CD 4.19Å
145	P	97.5	Very high	98.6	Very high	87 Å²	87	45.4 Å²	45.4	57%	0.565	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-19	-166.1	29.3	-35.4	0	0	0	113.8	G142 L147	G142-P145 WeakPolarHBondContact O-CD 3.49Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 2.95Å
146	W	98.1	Very high	98.6	Very high	14 Å²	14	48 Å²	48	5%	0.053	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.8	178.2	57.3	-106.4	0	0	0	113.3	V144 R148 V178 H180 D181 I184 Q189 I192 L193	V144-W146 VanDerWaalsContact C-N 3.28Å; V144-W146 HydrophobicContact CG1-CD2 3.84Å; V144-W146 HydrophobicContact CG1-CG 4.22Å; V144-W146 HydrophobicContact CG1-CH2 4.32Å; V144-W146 HydrophobicContact CG1-CZ2 3.53Å; V144-W146 VanDerWaalsContact CG1-NE1 3.32Å; V144-W146 PolarHBondContact O-N 3.04Å; W146-R148 PolarHBondContact O-N 3.27Å; W146-V178 HydrophobicContact CZ3-CG1 4.2Å; W146-H180 HydrophobicContact CE3-CB 3.6Å; W146-H180 HydrophobicContact CZ3-CB 3.93Å; W146-H180 WeakPolarHBondContact O-CA 3.39Å; W146-D181 WeakPolarHBondContact CA-OD2 3.49Å; W146-D181 WeakPolarHBondContact CB-OD2 3.26Å; W146-D181 PolarHBondContact O-N 2.96Å; W146-D181 VanDerWaalsContact O-N 3.11Å; W146-I184 HydrophobicContact CB-CB 4.27Å; W146-I184 HydrophobicContact CB-CG2 4.05Å; W146-I184 HydrophobicContact CD2-CB 4.46Å; W146-I184 HydrophobicContact CD2-CG1 4.16Å; W146-I184 HydrophobicContact CD2-CG2 4.03Å; W146-I184 HydrophobicContact CE3-CG2 4.14Å; W146-I184 HydrophobicContact CG-CB 4.13Å; W146-I184 HydrophobicContact CG-CD1 4.48Å; W146-I184 HydrophobicContact CG-CG1 4.05Å; W146-I184 HydrophobicContact CG-CG2 4.01Å; W146-Q189 HydrophobicContact CE3-CG 4.48Å; W146-Q189 HydrophobicContact CH2-CB 4Å; W146-Q189 HydrophobicContact CH2-CG 3.9Å; W146-Q189 HydrophobicContact CZ2-CB 4.33Å; W146-Q189 HydrophobicContact CZ2-CG 4.19Å; W146-Q189 HydrophobicContact CZ3-CG 4.04Å; W146-I192 HydrophobicContact CZ2-CB 4.09Å; W146-I192 HydrophobicContact CZ2-CD1 4.04Å; W146-I192 HydrophobicContact CZ2-CG2 3.93Å; W146-L193 HydrophobicContact CH2-CD2 4.5Å; W146-L193 HydrophobicContact CH2-CG 4.45Å
147	L	98.7	Very high	98.6	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.4	176.7	-72.6	171.2	0	0	0	110.6	M135 L138 R139 V144 P145 V178	M135-L147 HydrophobicContact CB-CD1 4.27Å; M135-L147 WeakPolarHBondContact O-CD1 3.26Å; L138-L147 HydrophobicContact CB-CD1 4.36Å; R139-L147 HydrophobicContact CB-CB 3.84Å; R139-L147 HydrophobicContact CB-CD1 4.27Å; R139-L147 WeakPolarHBondContact CD-O 3.25Å; R139-L147 HydrophobicContact CG-CB 4.04Å; R139-L147 WeakPolarHBondContact CG-O 3.47Å; V144-L147 HydrophobicContact CB-CD1 3.73Å; V144-L147 HydrophobicContact CB-CG 4.13Å; V144-L147 HydrophobicContact CG1-CD1 3.71Å; V144-L147 HydrophobicContact CG1-CG 3.64Å; V144-L147 PolarHBondContact O-N 2.95Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 2.95Å; L147-V178 HydrophobicContact CD2-CB 4.2Å; L147-V178 HydrophobicContact CD2-CG1 3.6Å; L147-V178 HydrophobicContact CD2-CG2 3.54Å
148	R	98.7	Very high	98.6	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	168.1	169.7	-56.3	-55.9	-165.8	-151.8	8	110.3	W146 D150 Q179	W146-R148 PolarHBondContact O-N 3.27Å; R148-D150 PolarHBondContact O-N 3.26Å; R148-Q179 HydrophobicContact CB-CB 3.78Å; R148-Q179 VanDerWaalsContact CB-CD 3.48Å; R148-Q179 HydrophobicContact CB-CG 3.6Å; R148-Q179 WeakPolarHBondContact CB-O 3.34Å; R148-Q179 HydrophobicContact CG-CG 4.02Å; R148-Q179 PolarHBondContact N-O 3.11Å
149	P	98.6	Very high	98.5	Very high	22 Å²	22	50.1 Å²	50.1	14%	0.143	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-22.7	-169	-22.4	34.3	0	0	0	116.5	I61 Y63 S151	I61-P149 HydrophobicContact CG2-CB 3.88Å; Y63-P149 HydrophobicContact CD1-CG 4.25Å; Y63-P149 HydrophobicContact CD2-CB 4.2Å; Y63-P149 HydrophobicContact CD2-CG 4.15Å; Y63-P149 HydrophobicContact CE1-CG 4.1Å; Y63-P149 HydrophobicContact CE2-CB 3.71Å; Y63-P149 HydrophobicContact CE2-CG 4Å; Y63-P149 HydrophobicContact CG-CG 4.26Å; P149-S151 PolarHBondContact O-N 2.95Å
150	D	98.8	Very high	98.5	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.5	-177.1	-164.4	22.7	0	0	0	111.5	T1 Y63 R148 Q179 G225	T1-D150 PolarHBondContact N-OD1 2.97Å; Y63-D150 WeakPolarHBondContact OH-CB 3.27Å; Y63-D150 PolarHBondContact OH-N 3.28Å; R148-D150 PolarHBondContact O-N 3.26Å; D150-Q179 HydrophobicContact CB-CB 4Å; D150-Q179 WeakPolarHBondContact O-CB 3.44Å; D150-Q179 PolarHBondContact O-N 3.39Å; D150-G225 PolarHBondContact OD2-N 2.88Å
151	S	98.8	Very high	98.5	Very high	32 Å²	32	53.6 Å²	53.6	22%	0.224	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.4	178.4	67	0	0	0	0	112.4	N132 P149 S177	N132-S151 WeakPolarHBondContact OD1-CB 3.37Å; N132-S151 PolarHBondContact OD1-OG 2.98Å; P149-S151 PolarHBondContact O-N 2.95Å; S151-S177 CarbonylContact C-O 3.47Å; S151-S177 WeakPolarHBondContact CA-O 3.26Å
152	K	98.9	Very high	98.4	Very high	112 Å²	112	55.9 Å²	55.9	49%	0.487	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.4	175.1	-63.1	179.5	179.3	176.4	0	108.6	S177	K152-S177 PolarHBondContact N-O 2.98Å; K152-S177 PolarHBondContact O-N 2.61Å
153	T	98.9	Very high	98.3	Very high	25 Å²	25	59.3 Å²	59.3	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.3	175.5	65.2	0	0	0	0	110.5	A128 L131 N132 M135 V175 I176	A128-T153 WeakPolarHBondContact CA-OG1 3.19Å; A128-T153 PolarHBondContact O-OG1 2.86Å; L131-T153 HydrophobicContact CB-CG2 3.82Å; N132-T153 PolarHBondContact ND2-OG1 3.06Å; M135-T153 HydrophobicContact CE-CG2 3.56Å; T153-V175 CarbonylContact C-O 3.57Å; T153-V175 WeakPolarHBondContact CA-O 3.38Å; T153-I176 HydrophobicContact CG2-CG1 4.16Å; T153-I176 HydrophobicContact CG2-CG2 4.38Å
154	Q	98.9	Very high	98.1	Very high	121 Å²	121	57.4 Å²	57.4	57%	0.565	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.3	174.3	-171.5	174.9	-69.4	0	0	109.3	I174 V175	Q154-I174 WeakPolarHBondContact O-CA 3.33Å; Q154-V175 HydrophobicContact CB-CB 4Å; Q154-V175 HydrophobicContact CB-CG2 4.16Å; Q154-V175 PolarHBondContact N-O 3.02Å; Q154-V175 PolarHBondContact O-N 3.16Å
155	V	98.9	Very high	98.1	Very high	12 Å²	12	57.3 Å²	57.3	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.2	179.9	-174.5	0	0	0	0	108.8	L127 A128 L131 V157 V171	L127-V155 HydrophobicContact CB-CB 4.49Å; L127-V155 HydrophobicContact CB-CG1 4.26Å; L127-V155 HydrophobicContact CB-CG2 4.08Å; L127-V155 HydrophobicContact CD1-CG1 4.17Å; A128-V155 HydrophobicContact CB-CG2 4.14Å; L131-V155 HydrophobicContact CD1-CG2 3.71Å; V155-V157 HydrophobicContact CG1-CG2 3.99Å; V155-V171 HydrophobicContact CG1-CG1 3.99Å; V155-V171 HydrophobicContact CG1-CG2 4.2Å
156	T	98.9	Very high	98.2	Very high	59 Å²	59	53.3 Å²	53.3	36%	0.362	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.4	172.3	-53.5	0	0	0	0	108.3	H172 T173	T156-H172 HydrophobicContact CG2-CB 4.12Å; T156-H172 PolarHBondContact O-N 3.28Å; T156-T173 PolarHBondContact N-O 3.18Å; T156-T173 PolarHBondContact O-N 2.77Å
157	V	98.9	Very high	98.2	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.8	-179.4	173.2	0	0	0	0	109.2	T124 V155 Y159 P168 R170 V171	T124-V157 HydrophobicContact CG2-CB 3.75Å; T124-V157 HydrophobicContact CG2-CG2 3.67Å; V155-V157 HydrophobicContact CG1-CG2 3.99Å; V157-Y159 HydrophobicContact CB-CD2 4.09Å; V157-Y159 HydrophobicContact CB-CE2 3.49Å; V157-Y159 VanDerWaalsContact CB-CE2 3.49Å; V157-Y159 HydrophobicContact CG1-CD2 3.81Å; V157-Y159 HydrophobicContact CG1-CE1 4.37Å; V157-Y159 HydrophobicContact CG1-CE2 3.43Å; V157-Y159 VanDerWaalsContact CG1-CE2 3.43Å; V157-Y159 HydrophobicContact CG1-CG 4.42Å; V157-Y159 WeakPolarHBondContact O-CD2 3.45Å; V157-P168 HydrophobicContact CG1-CB 3.97Å; V157-R170 WeakPolarHBondContact CA-O 3.32Å; V157-R170 WeakPolarHBondContact CG1-O 3.2Å; V157-V171 HydrophobicContact CG2-CG2 4.25Å
158	H	98.6	Very high	98.2	Very high	100 Å²	100	55.6 Å²	55.6	46%	0.463	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.9	170.1	-173.4	-169.4	0	0	0	109.2	K169 R170	H158-K169 PolarHBondContact O-N 3.28Å; H158-R170 HydrophobicContact CB-CG 3.84Å; H158-R170 PolarHBondContact N-O 3.11Å
159	Y	98.7	Very high	98.2	Very high	37 Å²	37	58.3 Å²	58.3	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.8	-177.8	-74.4	-92.4	0	0	0	111.8	E116 T124 V157 V166 V167 P168 W245	E116-Y159 VanDerWaalsContact OE1-CE1 3.25Å; E116-Y159 WeakPolarHBondContact OE1-CE1 3.34Å; E116-Y159 PolarHBondContact OE1-OH 3.41Å; T124-Y159 HydrophobicContact CG2-CE2 3.99Å; V157-Y159 HydrophobicContact CB-CD2 4.09Å; V157-Y159 HydrophobicContact CB-CE2 3.49Å; V157-Y159 VanDerWaalsContact CB-CE2 3.49Å; V157-Y159 HydrophobicContact CG1-CD2 3.81Å; V157-Y159 HydrophobicContact CG1-CE1 4.37Å; V157-Y159 HydrophobicContact CG1-CE2 3.43Å; V157-Y159 VanDerWaalsContact CG1-CE2 3.43Å; V157-Y159 HydrophobicContact CG1-CG 4.42Å; V157-Y159 WeakPolarHBondContact O-CD2 3.45Å; Y159-V166 HydrophobicContact CD1-CB 3.76Å; Y159-V166 HydrophobicContact CD1-CG2 4.23Å; Y159-V166 HydrophobicContact CE1-CB 4.24Å; Y159-V166 HydrophobicContact CE1-CG2 4.19Å; Y159-V166 HydrophobicContact CG-CB 4.49Å; Y159-V167 WeakPolarHBondContact CA-O 3.43Å; Y159-P168 HydrophobicContact CD1-CB 4.35Å; Y159-P168 HydrophobicContact CD1-CG 4.19Å; Y159-P168 HydrophobicContact CE1-CB 4.02Å; Y159-P168 HydrophobicContact CE1-CG 3.59Å; Y159-W245 HydrophobicContact CD2-CH2 4.42Å; Y159-W245 HydrophobicContact CD2-CZ2 4.21Å; Y159-W245 HydrophobicContact CE2-CH2 4.33Å; Y159-W245 AromaticContact CE2-CZ2 3.72Å; Y159-W245 HydrophobicContact CE2-CZ2 3.72Å; Y159-W245 AromaticContact CZ-CZ2 3.96Å
160	D	98.2	Very high	98.2	Very high	74 Å²	74	59 Å²	59	40%	0.396	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	153.3	155.9	-73.9	4	0	0	0	109.6	V166 V167 K169	D160-V166 WeakPolarHBondContact O-CA 3.42Å; D160-V167 PolarHBondContact N-O 2.88Å; D160-V167 PolarHBondContact O-N 2.94Å; D160-K169 WeakPolarHBondContact OD2-CE 3.46Å; D160-K169 IonicContact OD2-NZ 2.84Å; D160-K169 PolarHBondContact OD2-NZ 3.39Å
161	Q	97.9	Very high	98.2	Very high	164 Å²	164	58.3 Å²	58.3	77%	0.766	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.8	168.3	-67.1	-178.7	2.4	0	0	110	A165 V166	Q161-A165 WeakPolarHBondContact CA-O 3.44Å; Q161-V166 HydrophobicContact CG-CG1 4.14Å
162	K	95.9	Very high	98.2	Very high	132 Å²	132	60.8 Å²	60.8	57%	0.574	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	119.9	176	-178.3	174.4	-179.8	-177.8	0	110	G164 A165	K162-G164 VanDerWaalsContact C-N 3.29Å; K162-G164 PolarHBondContact O-N 2.92Å; K162-A165 PolarHBondContact N-O 2.73Å; K162-A165 WeakPolarHBondContact O-CB 3.38Å; K162-A165 PolarHBondContact O-N 3.16Å
163	D	95.2	Very high	98.2	Very high	115 Å²	115	56.3 Å²	56.3	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	47.2	175.7	-49.2	-41.9	0	0	0	112.5	A165 S308	D163-A165 PolarHBondContact O-N 2.71Å; D163-A165 VanDerWaalsContact O-N 3.1Å; D163-S308 WeakPolarHBondContact O-CA 3.25Å
164	G	95.3	Very high	98.2	Very high	25 Å²	25	55.1 Å²	55.1	26%	0.258	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-13.6	-179.1	0	0	0	0	0	116	K162 R284 Y306	K162-G164 VanDerWaalsContact C-N 3.29Å; K162-G164 PolarHBondContact O-N 2.92Å; G164-R284 PolarHBondContact O-NE 2.93Å; G164-Y306 WeakPolarHBondContact CA-O 3.35Å
165	A	98.1	Very high	98.2	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	165.3	174.7	0	0	0	0	0	111.9	Q161 K162 D163 R283	Q161-A165 WeakPolarHBondContact CA-O 3.44Å; K162-A165 PolarHBondContact N-O 2.73Å; K162-A165 WeakPolarHBondContact O-CB 3.38Å; K162-A165 PolarHBondContact O-N 3.16Å; D163-A165 PolarHBondContact O-N 2.71Å; D163-A165 VanDerWaalsContact O-N 3.1Å; A165-R283 HydrophobicContact CB-CB 3.95Å; A165-R283 VanDerWaalsContact CB-CZ 3.42Å
166	V	98.6	Very high	98.2	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.3	177.9	-72.5	0	0	0	0	110.3	E116 Y159 D160 Q161 W245 R284	E116-V166 WeakPolarHBondContact OE2-CG2 3.36Å; Y159-V166 HydrophobicContact CD1-CB 3.76Å; Y159-V166 HydrophobicContact CD1-CG2 4.23Å; Y159-V166 HydrophobicContact CE1-CB 4.24Å; Y159-V166 HydrophobicContact CE1-CG2 4.19Å; Y159-V166 HydrophobicContact CG-CB 4.49Å; D160-V166 WeakPolarHBondContact O-CA 3.42Å; Q161-V166 HydrophobicContact CG-CG1 4.14Å; V166-W245 HydrophobicContact CG1-CH2 4.3Å; V166-W245 HydrophobicContact CG1-CZ3 4.24Å; V166-W245 HydrophobicContact CG2-CH2 4.46Å; V166-W245 HydrophobicContact CG2-CZ3 4.43Å; V166-R284 VanDerWaalsContact CG1-NH1 3.26Å
167	V	98.5	Very high	98.2	Very high	52 Å²	52	48.7 Å²	48.7	32%	0.315	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.5	-176.7	-175.5	0	0	0	0	109.7	Y159 D160 K169	Y159-V167 WeakPolarHBondContact CA-O 3.43Å; D160-V167 PolarHBondContact N-O 2.88Å; D160-V167 PolarHBondContact O-N 2.94Å; V167-K169 PolarHBondContact O-N 2.69Å
168	P	98.5	Very high	98.2	Very high	14 Å²	14	48 Å²	48	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131.1	178	-15.9	24.5	0	0	0	111.9	E116 L123 V157 Y159 Y206	E116-P168 HydrophobicContact CB-CG 4.21Å; L123-P168 HydrophobicContact CB-CG 4.06Å; L123-P168 HydrophobicContact CD2-CB 3.48Å; L123-P168 VanDerWaalsContact CD2-CB 3.48Å; L123-P168 HydrophobicContact CD2-CG 3.73Å; V157-P168 HydrophobicContact CG1-CB 3.97Å; Y159-P168 HydrophobicContact CD1-CB 4.35Å; Y159-P168 HydrophobicContact CD1-CG 4.19Å; Y159-P168 HydrophobicContact CE1-CB 4.02Å; Y159-P168 HydrophobicContact CE1-CG 3.59Å; P168-Y206 HydrophobicContact CB-CE1 4.28Å
169	K	98.4	Very high	98.2	Very high	96 Å²	96	43.3 Å²	43.3	42%	0.417	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-51.7	177.6	-63.2	-57.5	-173.2	167	0	113.4	H158 D160 V167 Y206	H158-K169 PolarHBondContact O-N 3.28Å; D160-K169 WeakPolarHBondContact OD2-CE 3.46Å; D160-K169 IonicContact OD2-NZ 2.84Å; D160-K169 PolarHBondContact OD2-NZ 3.39Å; V167-K169 PolarHBondContact O-N 2.69Å; K169-Y206 WeakPolarHBondContact O-CD1 3.45Å
170	R	98.6	Very high	98.2	Very high	36 Å²	36	41.9 Å²	41.9	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.5	-177.7	59.7	172	-67.4	-92.4	2.9	110.9	V157 H158 H172 D208 K210	V157-R170 WeakPolarHBondContact CA-O 3.32Å; V157-R170 WeakPolarHBondContact CG1-O 3.2Å; H158-R170 HydrophobicContact CB-CG 3.84Å; H158-R170 PolarHBondContact N-O 3.11Å; R170-H172 PolarHBondContact NH1-CD2 3.11Å; R170-D208 VanDerWaalsContact CD-OD2 3.28Å; R170-D208 WeakPolarHBondContact CD-OD2 3.49Å; R170-D208 IonicContact CZ-OD1 2.87Å; R170-D208 IonicContact CZ-OD2 2.69Å; R170-D208 IonicContact NE-OD1 3.28Å; R170-D208 PolarHBondContact NE-OD1 2.63Å; R170-D208 IonicContact NE-OD2 2.7Å; R170-D208 PolarHBondContact NE-OD2 3.16Å; R170-D208 IonicContact NH2-OD1 2.75Å; R170-D208 PolarHBondContact NH2-OD1 2.69Å; R170-D208 IonicContact NH2-OD2 2.97Å; R170-K210 PolarHBondContact NH2-O 2.53Å
171	V	98.9	Very high	98.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.2	165.9	174.3	0	0	0	0	108	L127 V155 V157 I174 V202 Y206 L207 T211	L127-V171 HydrophobicContact CD1-CG2 3.98Å; V155-V171 HydrophobicContact CG1-CG1 3.99Å; V155-V171 HydrophobicContact CG1-CG2 4.2Å; V157-V171 HydrophobicContact CG2-CG2 4.25Å; V171-I174 HydrophobicContact CG1-CD1 3.89Å; V171-I174 HydrophobicContact CG1-CG1 3.46Å; V171-I174 VanDerWaalsContact CG1-CG1 3.46Å; V171-V202 HydrophobicContact CG2-CG1 3.88Å; V171-Y206 PolarHBondContact N-O 2.96Å; V171-L207 HydrophobicContact CB-CD2 4.27Å; V171-T211 HydrophobicContact CG1-CG2 4.28Å; V171-T211 PolarHBondContact O-OG1 2.96Å
172	H	98.9	Very high	98	Very high	84 Å²	84	37.8 Å²	37.8	39%	0.389	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-50.9	177.5	-178.4	-72.6	0	0	0	111.9	T156 R170 V212	T156-H172 HydrophobicContact CG2-CB 4.12Å; T156-H172 PolarHBondContact O-N 3.28Å; R170-H172 PolarHBondContact NH1-CD2 3.11Å; H172-V212 PolarHBondContact O-N 3.04Å
173	T	98.9	Very high	97.9	Very high	19 Å²	19	35.1 Å²	35.1	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.9	-176.1	-57.6	0	0	0	0	110.4	T156 V175 V212	T156-T173 PolarHBondContact N-O 3.18Å; T156-T173 PolarHBondContact O-N 2.77Å; T173-V175 HydrophobicContact CG2-CG2 4.29Å; T173-V212 CarbonylContact C-O 3.6Å; T173-V212 VanDerWaalsContact CA-O 3.3Å; T173-V212 WeakPolarHBondContact CA-O 3.46Å; T173-V212 HydrophobicContact CG2-CB 4.22Å; T173-V212 HydrophobicContact CG2-CG1 4.31Å
174	I	98.9	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130	167.8	-57.8	179.2	0	0	0	108.8	L131 Q154 V171 I176 I198 V202 L207 V212 Y213 H214	L131-I174 HydrophobicContact CD1-CG2 4.05Å; Q154-I174 WeakPolarHBondContact O-CA 3.33Å; V171-I174 HydrophobicContact CG1-CD1 3.89Å; V171-I174 HydrophobicContact CG1-CG1 3.46Å; V171-I174 VanDerWaalsContact CG1-CG1 3.46Å; I174-I176 HydrophobicContact CG2-CD1 4.32Å; I174-I176 HydrophobicContact CG2-CG1 3.98Å; I174-I198 HydrophobicContact CB-CD1 4.32Å; I174-I198 HydrophobicContact CD1-CD1 4.15Å; I174-I198 HydrophobicContact CD1-CG1 4.23Å; I174-I198 HydrophobicContact CD1-CG2 3.61Å; I174-I198 HydrophobicContact CG2-CD1 3.79Å; I174-I198 HydrophobicContact CG2-CG1 4.21Å; I174-V202 HydrophobicContact CD1-CG2 4.07Å; I174-L207 HydrophobicContact CD1-CD2 4.18Å; I174-V212 PolarHBondContact N-O 2.8Å; I174-Y213 HydrophobicContact CB-CD1 4.42Å; I174-Y213 HydrophobicContact CD1-CE1 4.18Å; I174-H214 PolarHBondContact O-N 2.77Å
175	V	98.9	Very high	98.1	Very high	33 Å²	33	33 Å²	33	20%	0.2	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.6	169.4	-170.2	0	0	0	0	108.6	T153 Q154 T173 H214 P217	T153-V175 CarbonylContact C-O 3.57Å; T153-V175 WeakPolarHBondContact CA-O 3.38Å; Q154-V175 HydrophobicContact CB-CB 4Å; Q154-V175 HydrophobicContact CB-CG2 4.16Å; Q154-V175 PolarHBondContact N-O 3.02Å; Q154-V175 PolarHBondContact O-N 3.16Å; T173-V175 HydrophobicContact CG2-CG2 4.29Å; V175-H214 WeakPolarHBondContact CA-O 3.47Å; V175-H214 HydrophobicContact CB-CB 4.43Å; V175-H214 HydrophobicContact CG1-CB 4.19Å; V175-H214 HydrophobicContact CG2-CB 4.15Å; V175-P217 HydrophobicContact CG1-CG 4.21Å
176	I	98.9	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.5	169.4	-57.1	-176.2	0	0	0	108.4	L131 M135 T153 I174 L193 V197 I198 H214 L215 Q216	L131-I176 HydrophobicContact CD2-CD1 4.37Å; M135-I176 HydrophobicContact CE-CG2 3.99Å; M135-I176 HydrophobicContact SD-CG2 3.64Å; T153-I176 HydrophobicContact CG2-CG1 4.16Å; T153-I176 HydrophobicContact CG2-CG2 4.38Å; I174-I176 HydrophobicContact CG2-CD1 4.32Å; I174-I176 HydrophobicContact CG2-CG1 3.98Å; I176-L193 HydrophobicContact CB-CD1 4.34Å; I176-L193 HydrophobicContact CG2-CD1 3.94Å; I176-L193 HydrophobicContact CG2-CD2 3.98Å; I176-V197 HydrophobicContact CD1-CG1 4.34Å; I176-I198 HydrophobicContact CD1-CD1 3.84Å; I176-I198 HydrophobicContact CD1-CG1 3.71Å; I176-H214 PolarHBondContact N-O 3.36Å; I176-L215 HydrophobicContact CB-CD2 4.08Å; I176-L215 HydrophobicContact CD1-CD2 4.21Å; I176-L215 HydrophobicContact CG1-CD2 4.07Å; I176-Q216 PolarHBondContact O-N 3.17Å
177	S	98.9	Very high	98.1	Very high	24 Å²	24	41.3 Å²	41.3	17%	0.168	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.3	166.1	-61.6	0	0	0	0	108.3	S151 K152	S151-S177 CarbonylContact C-O 3.47Å; S151-S177 WeakPolarHBondContact CA-O 3.26Å; K152-S177 PolarHBondContact N-O 2.98Å; K152-S177 PolarHBondContact O-N 2.61Å
178	V	98.9	Very high	98.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.3	179.2	59.7	0	0	0	0	110.2	M135 W146 L147 L193 Q216	M135-V178 HydrophobicContact SD-CB 3.94Å; M135-V178 HydrophobicContact SD-CG1 4.07Å; M135-V178 HydrophobicContact SD-CG2 4.2Å; W146-V178 HydrophobicContact CZ3-CG1 4.2Å; L147-V178 HydrophobicContact CD2-CB 4.2Å; L147-V178 HydrophobicContact CD2-CG1 3.6Å; L147-V178 HydrophobicContact CD2-CG2 3.54Å; V178-L193 HydrophobicContact CG1-CD1 4.33Å; V178-L193 HydrophobicContact CG1-CD2 4.12Å; V178-Q216 PolarHBondContact O-NE2 2.99Å; V178-Q216 PolarHBondContact O-OE1 3.29Å
179	Q	98.8	Very high	98.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.2	175.2	-175.3	-165.2	9.5	0	0	109.4	Y63 K68 R148 D150 F221 V222	Y63-Q179 PolarHBondContact OH-OE1 3.46Å; K68-Q179 PolarHBondContact O-NE2 3.49Å; R148-Q179 HydrophobicContact CB-CB 3.78Å; R148-Q179 VanDerWaalsContact CB-CD 3.48Å; R148-Q179 HydrophobicContact CB-CG 3.6Å; R148-Q179 WeakPolarHBondContact CB-O 3.34Å; R148-Q179 HydrophobicContact CG-CG 4.02Å; R148-Q179 PolarHBondContact N-O 3.11Å; D150-Q179 HydrophobicContact CB-CB 4Å; D150-Q179 WeakPolarHBondContact O-CB 3.44Å; D150-Q179 PolarHBondContact O-N 3.39Å; Q179-F221 VanDerWaalsContact CA-O 3.23Å; Q179-F221 WeakPolarHBondContact CA-O 3.45Å; Q179-V222 WeakPolarHBondContact CG-O 3.48Å; Q179-V222 PolarHBondContact NE2-O 3.32Å
180	H	98.7	Very high	98.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	164.6	-177.2	61.9	90	0	0	0	111.8	W146 I184 Q189 Q216 F221 V222	W146-H180 HydrophobicContact CE3-CB 3.6Å; W146-H180 HydrophobicContact CZ3-CB 3.93Å; W146-H180 WeakPolarHBondContact O-CA 3.39Å; H180-I184 HydrophobicContact CB-CG2 4.04Å; H180-Q189 PolarHBondContact CD2-OE1 2.67Å; H180-Q189 PolarHBondContact CE1-NE2 3.31Å; H180-Q216 PolarHBondContact CD2-NE2 3.32Å; H180-F221 PolarHBondContact N-O 3.37Å; H180-F221 VanDerWaalsContact N-O 3.1Å; H180-F221 PolarHBondContact NE2-N 3.3Å; H180-V222 WeakPolarHBondContact O-CA 3.22Å
181	D	96.9	Very high	98.2	Very high	44 Å²	44	44.7 Å²	44.7	24%	0.235	24%	0.243	C	C	.	.			trans	-72.8	169.9	167.5	68.4	29.5	0	0	0	112.2	W146 G183	W146-D181 WeakPolarHBondContact CA-OD2 3.49Å; W146-D181 WeakPolarHBondContact CB-OD2 3.26Å; W146-D181 PolarHBondContact O-N 2.96Å; W146-D181 VanDerWaalsContact O-N 3.11Å; D181-G183 VanDerWaalsContact C-N 3.26Å; D181-G183 PolarHBondContact O-N 2.85Å; D181-G183 PolarHBondContact OD1-N 3.19Å; D181-G183 VanDerWaalsContact OD1-N 3.1Å
182	D	94.8	Very high	98.2	Very high	108 Å²	108	45.3 Å²	45.3	58%	0.578	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.2	-175.8	-149.9	0	0	0	0	114	R220 V222	D182-R220 IonicContact OD1-CZ 3.51Å; D182-R220 IonicContact OD1-NH1 2.85Å; D182-R220 PolarHBondContact OD1-NH1 3.43Å; D182-R220 IonicContact OD1-NH2 3.34Å; D182-R220 PolarHBondContact OD1-NH2 3.32Å; D182-R220 IonicContact OD2-NH2 2.71Å; D182-R220 PolarHBondContact OD2-NH2 3.26Å; D182-V222 HydrophobicContact CB-CG2 4.49Å
183	G	93.8	Very high	98.2	Very high	76 Å²	76	41.4 Å²	41.4	78%	0.784	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13	-169.5	0	0	0	0	0	115.2	D181	D181-G183 VanDerWaalsContact C-N 3.26Å; D181-G183 PolarHBondContact O-N 2.85Å; D181-G183 PolarHBondContact OD1-N 3.19Å; D181-G183 VanDerWaalsContact OD1-N 3.1Å
184	I	97.3	Very high	98.1	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.19	24%	0.238	C	C	.	.	S	Bend	trans	-101.4	128.4	-170.2	-170.5	70.3	0	0	0	112.8	W146 H180 E188 Q189	W146-I184 HydrophobicContact CB-CB 4.27Å; W146-I184 HydrophobicContact CB-CG2 4.05Å; W146-I184 HydrophobicContact CD2-CB 4.46Å; W146-I184 HydrophobicContact CD2-CG1 4.16Å; W146-I184 HydrophobicContact CD2-CG2 4.03Å; W146-I184 HydrophobicContact CE3-CG2 4.14Å; W146-I184 HydrophobicContact CG-CB 4.13Å; W146-I184 HydrophobicContact CG-CD1 4.48Å; W146-I184 HydrophobicContact CG-CG1 4.05Å; W146-I184 HydrophobicContact CG-CG2 4.01Å; H180-I184 HydrophobicContact CB-CG2 4.04Å; I184-E188 HydrophobicContact CD1-CB 3.93Å; I184-E188 HydrophobicContact CD1-CG 3.44Å; I184-E188 VanDerWaalsContact CD1-CG 3.44Å; I184-E188 HydrophobicContact CG1-CB 4.41Å; I184-E188 HydrophobicContact CG1-CG 4.29Å; I184-Q189 HydrophobicContact CB-CG 4.34Å; I184-Q189 HydrophobicContact CG1-CG 3.73Å; I184-Q189 HydrophobicContact CG2-CG 3.75Å; I184-Q189 PolarHBondContact O-NE2 3.01Å
185	S	98.3	Very high	98.1	Very high	58 Å²	58	48.2 Å²	48.2	41%	0.406	26%	0.257	S	S	.	.			trans	-69.4	153.1	178	94.7	0	0	0	0	112.2	E187 E188 Q189	S185-E187 VanDerWaalsContact C-N 3.31Å; S185-E187 VanDerWaalsContact CB-OE2 3.31Å; S185-E187 WeakPolarHBondContact CB-OE2 3.23Å; S185-E187 PolarHBondContact O-N 3.19Å; S185-E187 PolarHBondContact OG-OE2 3.23Å; S185-E188 PolarHBondContact O-N 3.35Å; S185-E188 PolarHBondContact OG-N 3.06Å; S185-Q189 VanDerWaalsContact O-CG 3.31Å; S185-Q189 WeakPolarHBondContact O-CG 3.21Å; S185-Q189 PolarHBondContact O-N 2.83Å
186	L	98.5	Very high	98.1	Very high	50 Å²	50	50.7 Å²	50.7	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-41.4	-179.6	178.9	60.1	0	0	0	111.7	E188 Q189 Q190 Q216	L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 3.36Å; L186-Q189 WeakPolarHBondContact O-CB 3.32Å; L186-Q189 PolarHBondContact O-N 2.71Å; L186-Q190 HydrophobicContact CD1-CG 4.2Å; L186-Q190 HydrophobicContact CG-CG 4.43Å; L186-Q190 VanDerWaalsContact O-CG 3.25Å; L186-Q190 WeakPolarHBondContact O-CG 3.15Å; L186-Q190 PolarHBondContact O-N 3.36Å; L186-Q216 HydrophobicContact CD1-CB 3.48Å; L186-Q216 VanDerWaalsContact CD1-CB 3.48Å; L186-Q216 HydrophobicContact CD1-CG 4.35Å
187	E	98.5	Very high	98.1	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	27%	0.266	S	S	*	.	H	α-helix	trans	-61	-43	-179.1	-57.5	71.6	-153.6	0	0	111	S185 Q190 R191	S185-E187 VanDerWaalsContact C-N 3.31Å; S185-E187 VanDerWaalsContact CB-OE2 3.31Å; S185-E187 WeakPolarHBondContact CB-OE2 3.23Å; S185-E187 PolarHBondContact O-N 3.19Å; S185-E187 PolarHBondContact OG-OE2 3.23Å; E187-Q190 PolarHBondContact O-N 3.26Å; E187-R191 WeakPolarHBondContact O-CB 3.3Å; E187-R191 PolarHBondContact O-N 3.12Å
188	E	98.4	Very high	98.1	Very high	61 Å²	61	49.6 Å²	49.6	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-70.1	-39.5	179.1	-179.6	62.8	-179.3	0	0	111.7	I184 S185 L186 Q190 R191 I192	I184-E188 HydrophobicContact CD1-CB 3.93Å; I184-E188 HydrophobicContact CD1-CG 3.44Å; I184-E188 VanDerWaalsContact CD1-CG 3.44Å; I184-E188 HydrophobicContact CG1-CB 4.41Å; I184-E188 HydrophobicContact CG1-CG 4.29Å; S185-E188 PolarHBondContact O-N 3.35Å; S185-E188 PolarHBondContact OG-N 3.06Å; L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 3.36Å; E188-Q190 PolarHBondContact O-N 3.22Å; E188-R191 PolarHBondContact O-N 3.28Å; E188-R191 IonicContact OE1-CZ 2.71Å; E188-R191 IonicContact OE1-NE 3.13Å; E188-R191 IonicContact OE1-NH2 2.71Å; E188-R191 PolarHBondContact OE1-NH2 3.12Å; E188-R191 IonicContact OE2-CZ 2.74Å; E188-R191 VanDerWaalsContact OE2-CZ 3.23Å; E188-R191 IonicContact OE2-NE 3.13Å; E188-R191 PolarHBondContact OE2-NE 3.45Å; E188-R191 IonicContact OE2-NH2 2.67Å; E188-R191 PolarHBondContact OE2-NH2 3.34Å; E188-I192 HydrophobicContact CG-CD1 3.95Å; E188-I192 WeakPolarHBondContact O-CB 3.34Å; E188-I192 WeakPolarHBondContact O-CG1 3.38Å; E188-I192 PolarHBondContact O-N 2.85Å; E188-I192 WeakPolarHBondContact OE1-CD1 3.4Å
189	Q	98.7	Very high	98.1	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-51.5	171.5	-66.9	172.9	53.7	0	0	110.6	W146 H180 I184 S185 L186 R191 I192 L193 Q216	W146-Q189 HydrophobicContact CE3-CG 4.48Å; W146-Q189 HydrophobicContact CH2-CB 4Å; W146-Q189 HydrophobicContact CH2-CG 3.9Å; W146-Q189 HydrophobicContact CZ2-CB 4.33Å; W146-Q189 HydrophobicContact CZ2-CG 4.19Å; W146-Q189 HydrophobicContact CZ3-CG 4.04Å; H180-Q189 PolarHBondContact CD2-OE1 2.67Å; H180-Q189 PolarHBondContact CE1-NE2 3.31Å; I184-Q189 HydrophobicContact CB-CG 4.34Å; I184-Q189 HydrophobicContact CG1-CG 3.73Å; I184-Q189 HydrophobicContact CG2-CG 3.75Å; I184-Q189 PolarHBondContact O-NE2 3.01Å; S185-Q189 VanDerWaalsContact O-CG 3.31Å; S185-Q189 WeakPolarHBondContact O-CG 3.21Å; S185-Q189 PolarHBondContact O-N 2.83Å; L186-Q189 WeakPolarHBondContact O-CB 3.32Å; L186-Q189 PolarHBondContact O-N 2.71Å; Q189-R191 PolarHBondContact O-N 3.45Å; Q189-I192 PolarHBondContact O-N 2.92Å; Q189-L193 WeakPolarHBondContact O-CB 3.3Å; Q189-L193 VanDerWaalsContact O-CG 3.22Å; Q189-L193 WeakPolarHBondContact O-CG 3.36Å; Q189-L193 PolarHBondContact O-N 3.2Å; Q189-Q216 HydrophobicContact CB-CG 4.08Å; Q189-Q216 VanDerWaalsContact OE1-CG 3.31Å
190	Q	98.8	Very high	98.1	Very high	76 Å²	76	57.8 Å²	57.8	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-43	-179.1	-68.9	179.9	-20.3	0	0	112.2	L186 E187 E188 K194 L215	L186-Q190 HydrophobicContact CD1-CG 4.2Å; L186-Q190 HydrophobicContact CG-CG 4.43Å; L186-Q190 VanDerWaalsContact O-CG 3.25Å; L186-Q190 WeakPolarHBondContact O-CG 3.15Å; L186-Q190 PolarHBondContact O-N 3.36Å; E187-Q190 PolarHBondContact O-N 3.26Å; E188-Q190 PolarHBondContact O-N 3.22Å; Q190-K194 WeakPolarHBondContact O-CB 3.48Å; Q190-K194 PolarHBondContact O-N 2.79Å; Q190-L215 HydrophobicContact CB-CB 4.25Å; Q190-L215 HydrophobicContact CG-CB 3.91Å; Q190-L215 WeakPolarHBondContact CG-O 3.19Å; Q190-L215 PolarHBondContact NE2-O 3.48Å; Q190-L215 WeakPolarHBondContact O-CD1 3.47Å
191	R	98.8	Very high	98.1	Very high	131 Å²	131	58.8 Å²	58.8	49%	0.494	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-49.5	176.4	-170.9	-173.6	69.7	84.6	-2.4	111.6	E187 E188 Q189 K194 E195	E187-R191 WeakPolarHBondContact O-CB 3.3Å; E187-R191 PolarHBondContact O-N 3.12Å; E188-R191 PolarHBondContact O-N 3.28Å; E188-R191 IonicContact OE1-CZ 2.71Å; E188-R191 IonicContact OE1-NE 3.13Å; E188-R191 IonicContact OE1-NH2 2.71Å; E188-R191 PolarHBondContact OE1-NH2 3.12Å; E188-R191 IonicContact OE2-CZ 2.74Å; E188-R191 VanDerWaalsContact OE2-CZ 3.23Å; E188-R191 IonicContact OE2-NE 3.13Å; E188-R191 PolarHBondContact OE2-NE 3.45Å; E188-R191 IonicContact OE2-NH2 2.67Å; E188-R191 PolarHBondContact OE2-NH2 3.34Å; Q189-R191 PolarHBondContact O-N 3.45Å; R191-K194 PolarHBondContact O-N 3.32Å; R191-E195 WeakPolarHBondContact O-CB 3.3Å; R191-E195 WeakPolarHBondContact O-CG 3.37Å; R191-E195 PolarHBondContact O-N 2.93Å
192	I	98.6	Very high	98.2	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-44.8	179.8	-71.9	171.4	0	0	0	111.2	V144 W146 E188 Q189 K194 E195 K196	V144-I192 HydrophobicContact CG1-CG2 3.89Å; V144-I192 HydrophobicContact CG2-CG2 3.81Å; W146-I192 HydrophobicContact CZ2-CB 4.09Å; W146-I192 HydrophobicContact CZ2-CD1 4.04Å; W146-I192 HydrophobicContact CZ2-CG2 3.93Å; E188-I192 HydrophobicContact CG-CD1 3.95Å; E188-I192 WeakPolarHBondContact O-CB 3.34Å; E188-I192 WeakPolarHBondContact O-CG1 3.38Å; E188-I192 PolarHBondContact O-N 2.85Å; E188-I192 WeakPolarHBondContact OE1-CD1 3.4Å; Q189-I192 PolarHBondContact O-N 2.92Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 2.57Å; I192-E195 PolarHBondContact O-N 3.09Å; I192-K196 HydrophobicContact CG2-CB 4.37Å; I192-K196 HydrophobicContact CG2-CD 4.29Å; I192-K196 HydrophobicContact CG2-CG 4.48Å; I192-K196 WeakPolarHBondContact O-CB 3.16Å; I192-K196 PolarHBondContact O-N 3.43Å
193	L	98.9	Very high	98.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.292	C	S	.	.	I	π-helix	trans	-60.8	-39.9	178.5	-71.6	176.7	0	0	0	111.5	M135 W146 I176 V178 Q189 V197 I198 L215 Q216	M135-L193 HydrophobicContact CG-CD2 4.49Å; M135-L193 HydrophobicContact SD-CD2 3.91Å; W146-L193 HydrophobicContact CH2-CD2 4.5Å; W146-L193 HydrophobicContact CH2-CG 4.45Å; I176-L193 HydrophobicContact CB-CD1 4.34Å; I176-L193 HydrophobicContact CG2-CD1 3.94Å; I176-L193 HydrophobicContact CG2-CD2 3.98Å; V178-L193 HydrophobicContact CG1-CD1 4.33Å; V178-L193 HydrophobicContact CG1-CD2 4.12Å; Q189-L193 WeakPolarHBondContact O-CB 3.3Å; Q189-L193 VanDerWaalsContact O-CG 3.22Å; Q189-L193 WeakPolarHBondContact O-CG 3.36Å; Q189-L193 PolarHBondContact O-N 3.2Å; L193-V197 HydrophobicContact CD2-CG2 4.05Å; L193-V197 VanDerWaalsContact O-CB 3.28Å; L193-V197 WeakPolarHBondContact O-CB 3.35Å; L193-V197 PolarHBondContact O-N 2.91Å; L193-I198 PolarHBondContact O-N 2.98Å; L193-L215 HydrophobicContact CB-CD1 4.24Å; L193-L215 HydrophobicContact CD1-CB 4.32Å; L193-Q216 HydrophobicContact CD1-CG 3.83Å
194	K	98.8	Very high	98.6	Very high	77 Å²	77	54.8 Å²	54.8	34%	0.335	29%	0.286	S	S	.	.	I	π-helix	trans	-67.9	-51.9	176.2	-166.8	172.3	-176.4	176.7	0	112.1	Q190 R191 I192 K199 L215	Q190-K194 WeakPolarHBondContact O-CB 3.48Å; Q190-K194 PolarHBondContact O-N 2.79Å; R191-K194 PolarHBondContact O-N 3.32Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 2.57Å; K194-K199 PolarHBondContact O-N 2.89Å; K194-K199 VanDerWaalsContact O-N 3.12Å; K194-L215 HydrophobicContact CB-CD1 3.93Å
195	E	98.5	Very high	98.6	Very high	85 Å²	85	60.6 Å²	60.6	40%	0.397	31%	0.311	S	S	.	.	I	π-helix	trans	-79.5	-41.7	-169.8	-64.7	-56.7	132.1	0	0	113.6	R191 I192 K199	R191-E195 WeakPolarHBondContact O-CB 3.3Å; R191-E195 WeakPolarHBondContact O-CG 3.37Å; R191-E195 PolarHBondContact O-N 2.93Å; I192-E195 PolarHBondContact O-N 3.09Å; E195-K199 VanDerWaalsContact OE1-CE 3.23Å; E195-K199 WeakPolarHBondContact OE1-CE 3.4Å; E195-K199 IonicContact OE1-NZ 2.69Å; E195-K199 PolarHBondContact OE1-NZ 2.71Å; E195-K199 WeakPolarHBondContact OE2-CD 3.48Å; E195-K199 WeakPolarHBondContact OE2-CE 3.44Å; E195-K199 IonicContact OE2-NZ 3.34Å; E195-K199 PolarHBondContact OE2-NZ 3.41Å
196	K	98.6	Very high	98.7	Very high	86 Å²	86	59.4 Å²	59.4	37%	0.374	30%	0.297	S	S	.	.	I	π-helix	trans	-97.5	-21.6	-173.9	-61.5	-165.6	178.8	-174.1	0	114.1	L138 T143 V144 I192 A200	L138-K196 HydrophobicContact CD1-CB 3.95Å; T143-K196 HydrophobicContact CG2-CD 4.31Å; V144-K196 HydrophobicContact CG2-CD 4.19Å; I192-K196 HydrophobicContact CG2-CB 4.37Å; I192-K196 HydrophobicContact CG2-CD 4.29Å; I192-K196 HydrophobicContact CG2-CG 4.48Å; I192-K196 WeakPolarHBondContact O-CB 3.16Å; I192-K196 PolarHBondContact O-N 3.43Å; K196-A200 VanDerWaalsContact O-CB 3.3Å; K196-A200 WeakPolarHBondContact O-CB 3.35Å
197	V	98.8	Very high	98.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	29%	0.294	C	S	.	.	I	π-helix	trans	-105.7	-62.3	-178.8	-174.1	0	0	0	0	110.6	L131 K134 M135 L138 I176 L193 A200 V201	L131-V197 HydrophobicContact CD2-CG1 3.89Å; K134-V197 HydrophobicContact CB-CG1 4.23Å; K134-V197 HydrophobicContact CG-CG1 4.27Å; M135-V197 HydrophobicContact CG-CB 4.49Å; M135-V197 HydrophobicContact CG-CG1 3.78Å; M135-V197 HydrophobicContact CG-CG2 3.87Å; L138-V197 HydrophobicContact CD1-CG2 3.89Å; I176-V197 HydrophobicContact CD1-CG1 4.34Å; L193-V197 HydrophobicContact CD2-CG2 4.05Å; L193-V197 VanDerWaalsContact O-CB 3.28Å; L193-V197 WeakPolarHBondContact O-CB 3.35Å; L193-V197 PolarHBondContact O-N 2.91Å; V197-A200 PolarHBondContact O-N 2.86Å; V197-V201 WeakPolarHBondContact O-CG2 3.3Å; V197-V201 PolarHBondContact O-N 3.48Å
198	I	98.9	Very high	98.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	I	π-helix	trans	-64.9	-53.8	-173.7	-69.2	169.5	0	0	0	111.5	L131 I174 I176 L193 A200 V201 V202 L207 Y213 L215	L131-I198 HydrophobicContact CD2-CG1 3.98Å; I174-I198 HydrophobicContact CB-CD1 4.32Å; I174-I198 HydrophobicContact CD1-CD1 4.15Å; I174-I198 HydrophobicContact CD1-CG1 4.23Å; I174-I198 HydrophobicContact CD1-CG2 3.61Å; I174-I198 HydrophobicContact CG2-CD1 3.79Å; I174-I198 HydrophobicContact CG2-CG1 4.21Å; I176-I198 HydrophobicContact CD1-CD1 3.84Å; I176-I198 HydrophobicContact CD1-CG1 3.71Å; L193-I198 PolarHBondContact O-N 2.98Å; I198-A200 PolarHBondContact O-N 2.89Å; I198-V201 PolarHBondContact O-N 3.47Å; I198-V202 HydrophobicContact CG2-CB 4.43Å; I198-V202 HydrophobicContact CG2-CG2 4.13Å; I198-V202 PolarHBondContact O-N 2.71Å; I198-L207 HydrophobicContact CG2-CD1 4.06Å; I198-Y213 HydrophobicContact CD1-CD1 3.88Å; I198-Y213 HydrophobicContact CD1-CE1 4.17Å; I198-Y213 HydrophobicContact CG2-CE1 4.18Å; I198-L215 HydrophobicContact CD1-CD1 4.37Å; I198-L215 HydrophobicContact CD1-CD2 3.64Å
199	K	98.7	Very high	98.6	Very high	112 Å²	112	59.7 Å²	59.7	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-22.7	-179.2	-71	-174.6	-174.3	173.4	0	113.7	K194 E195	K194-K199 PolarHBondContact O-N 2.89Å; K194-K199 VanDerWaalsContact O-N 3.12Å; E195-K199 VanDerWaalsContact OE1-CE 3.23Å; E195-K199 WeakPolarHBondContact OE1-CE 3.4Å; E195-K199 IonicContact OE1-NZ 2.69Å; E195-K199 PolarHBondContact OE1-NZ 2.71Å; E195-K199 WeakPolarHBondContact OE2-CD 3.48Å; E195-K199 WeakPolarHBondContact OE2-CE 3.44Å; E195-K199 IonicContact OE2-NZ 3.34Å; E195-K199 PolarHBondContact OE2-NZ 3.41Å
200	A	98.6	Very high	98.6	Very high	61 Å²	61	66.8 Å²	66.8	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-78.6	-21.7	175.7	0	0	0	0	0	113.1	K196 V197 I198	K196-A200 VanDerWaalsContact O-CB 3.3Å; K196-A200 WeakPolarHBondContact O-CB 3.35Å; V197-A200 PolarHBondContact O-N 2.86Å; I198-A200 PolarHBondContact O-N 2.89Å
201	V	98.8	Very high	98.6	Very high	27 Å²	27	63.7 Å²	63.7	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-109.5	-45.6	-173.2	169.2	0	0	0	0	112.3	L127 K130 L131 K134 V197 I198 P203	L127-V201 HydrophobicContact CD2-CG1 4.32Å; K130-V201 HydrophobicContact CB-CG1 3.45Å; K130-V201 VanDerWaalsContact CB-CG1 3.45Å; K130-V201 HydrophobicContact CB-CG2 4.47Å; L131-V201 HydrophobicContact CD2-CB 3.95Å; L131-V201 HydrophobicContact CD2-CG1 4.06Å; L131-V201 HydrophobicContact CD2-CG2 4.33Å; L131-V201 HydrophobicContact CG-CG1 4.12Å; K134-V201 HydrophobicContact CB-CG2 3.62Å; K134-V201 HydrophobicContact CG-CG2 3.93Å; V197-V201 WeakPolarHBondContact O-CG2 3.3Å; V197-V201 PolarHBondContact O-N 3.48Å; I198-V201 PolarHBondContact O-N 3.47Å; V201-P203 WeakPolarHBondContact O-CD 3.18Å
202	V	98.8	Very high	98.6	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.024	32%	0.315	C	S	.	.	S	Bend	trans	-88.8	119.9	-173	-174.1	0	0	0	0	109	L127 L131 V171 I174 I198 A204 L207	L127-V202 HydrophobicContact CD1-CG1 4.32Å; L127-V202 HydrophobicContact CD2-CG2 4.37Å; L131-V202 HydrophobicContact CD2-CG2 4.45Å; V171-V202 HydrophobicContact CG2-CG1 3.88Å; I174-V202 HydrophobicContact CD1-CG2 4.07Å; I198-V202 HydrophobicContact CG2-CB 4.43Å; I198-V202 HydrophobicContact CG2-CG2 4.13Å; I198-V202 PolarHBondContact O-N 2.71Å; V202-A204 PolarHBondContact O-N 2.91Å; V202-L207 HydrophobicContact CB-CD1 4.18Å; V202-L207 HydrophobicContact CB-CD2 4.3Å; V202-L207 HydrophobicContact CB-CG 4.32Å; V202-L207 HydrophobicContact CG1-CD1 4.24Å; V202-L207 HydrophobicContact CG1-CD2 3.73Å; V202-L207 HydrophobicContact CG1-CG 3.83Å
203	P	98.6	Very high	98.6	Very high	58 Å²	58	62.4 Å²	62.4	38%	0.377	32%	0.323	S	S	.	.			trans	-53.9	132	176.2	-27.5	34.7	0	0	0	111.6	V201 K205 Y206	V201-P203 WeakPolarHBondContact O-CD 3.18Å; P203-K205 HydrophobicContact CB-CG 4.09Å; P203-K205 PolarHBondContact O-N 3.46Å; P203-Y206 HydrophobicContact CB-CD2 3.9Å; P203-Y206 HydrophobicContact CB-CE2 4.21Å; P203-Y206 HydrophobicContact CG-CD2 4.02Å; P203-Y206 HydrophobicContact CG-CE2 4.1Å; P203-Y206 PolarHBondContact O-N 2.83Å
204	A	98.4	Very high	98.6	Very high	82 Å²	82	66.6 Å²	66.6	68%	0.678	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-55.4	-31.1	-175	0	0	0	0	0	113.6	V202 Y206 L207	V202-A204 PolarHBondContact O-N 2.91Å; A204-Y206 PolarHBondContact O-N 3.04Å; A204-L207 PolarHBondContact O-N 2.87Å; A204-L207 VanDerWaalsContact O-O 3.13Å
205	K	98.4	Very high	98.6	Very high	160 Å²	160	63.5 Å²	63.5	70%	0.696	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-58.3	-19.3	175.8	68.3	177.1	-177.2	176.3	0	114.6	P203	P203-K205 HydrophobicContact CB-CG 4.09Å; P203-K205 PolarHBondContact O-N 3.46Å
206	Y	98.8	Very high	98.7	Very high	33 Å²	33	59.5 Å²	59.5	13%	0.129	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-98.9	-5.6	178	-61.4	-51	0	0	0	113.5	L123 P168 K169 V171 P203 A204	L123-Y206 HydrophobicContact CD2-CD2 4.27Å; L123-Y206 HydrophobicContact CD2-CE1 4.44Å; L123-Y206 HydrophobicContact CD2-CE2 3.78Å; P168-Y206 HydrophobicContact CB-CE1 4.28Å; K169-Y206 WeakPolarHBondContact O-CD1 3.45Å; V171-Y206 PolarHBondContact N-O 2.96Å; P203-Y206 HydrophobicContact CB-CD2 3.9Å; P203-Y206 HydrophobicContact CB-CE2 4.21Å; P203-Y206 HydrophobicContact CG-CD2 4.02Å; P203-Y206 HydrophobicContact CG-CE2 4.1Å; P203-Y206 PolarHBondContact O-N 2.83Å; A204-Y206 PolarHBondContact O-N 3.04Å
207	L	98.8	Very high	98.7	Very high	37 Å²	37	59 Å²	59	19%	0.194	32%	0.316	C	S	.	.			trans	-106.8	132.1	-179.6	-61.3	179.2	0	0	0	109.6	V171 I174 I198 V202 A204 T211	V171-L207 HydrophobicContact CB-CD2 4.27Å; I174-L207 HydrophobicContact CD1-CD2 4.18Å; I198-L207 HydrophobicContact CG2-CD1 4.06Å; V202-L207 HydrophobicContact CB-CD1 4.18Å; V202-L207 HydrophobicContact CB-CD2 4.3Å; V202-L207 HydrophobicContact CB-CG 4.32Å; V202-L207 HydrophobicContact CG1-CD1 4.24Å; V202-L207 HydrophobicContact CG1-CD2 3.73Å; V202-L207 HydrophobicContact CG1-CG 3.83Å; A204-L207 PolarHBondContact O-N 2.87Å; A204-L207 VanDerWaalsContact O-O 3.13Å; L207-T211 HydrophobicContact CD2-CG2 4.08Å
208	D	98.3	Very high	98.6	Very high	57 Å²	57	62.5 Å²	62.5	31%	0.305	34%	0.341	S	S	.	.			trans	-140	177.7	179.8	58.9	22	0	0	0	111.9	R170 K210 T211	R170-D208 VanDerWaalsContact CD-OD2 3.28Å; R170-D208 WeakPolarHBondContact CD-OD2 3.49Å; R170-D208 IonicContact CZ-OD1 2.87Å; R170-D208 IonicContact CZ-OD2 2.69Å; R170-D208 IonicContact NE-OD1 3.28Å; R170-D208 PolarHBondContact NE-OD1 2.63Å; R170-D208 IonicContact NE-OD2 2.7Å; R170-D208 PolarHBondContact NE-OD2 3.16Å; R170-D208 IonicContact NH2-OD1 2.75Å; R170-D208 PolarHBondContact NH2-OD1 2.69Å; R170-D208 IonicContact NH2-OD2 2.97Å; D208-K210 PolarHBondContact O-N 2.88Å; D208-K210 PolarHBondContact OD1-N 3.28Å; D208-T211 PolarHBondContact N-OG1 3.49Å; D208-T211 WeakPolarHBondContact O-CB 3.24Å; D208-T211 PolarHBondContact O-N 3.13Å; D208-T211 VanDerWaalsContact O-N 3.11Å; D208-T211 PolarHBondContact O-OG1 3.42Å; D208-T211 PolarHBondContact OD1-N 3.37Å; D208-T211 PolarHBondContact OD1-OG1 2.83Å
209	D	98.1	Very high	98.6	Very high	150 Å²	150	64.1 Å²	64.1	80%	0.802	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.2	177.4	64.7	-39.9	0	0	0	113.2
210	K	98.4	Very high	98.6	Very high	152 Å²	152	65.4 Å²	65.4	66%	0.661	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.8	178.2	-60.4	-179	-174.9	178.9	0	113.5	R170 D208 V212	R170-K210 PolarHBondContact NH2-O 2.53Å; D208-K210 PolarHBondContact O-N 2.88Å; D208-K210 PolarHBondContact OD1-N 3.28Å; K210-V212 PolarHBondContact O-N 3.41Å
211	T	98.8	Very high	98.6	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.067	34%	0.343	C	S	.	.			trans	-72.3	124.9	179.6	-57	0	0	0	0	109.5	V171 L207 D208 Y213	V171-T211 HydrophobicContact CG1-CG2 4.28Å; V171-T211 PolarHBondContact O-OG1 2.96Å; L207-T211 HydrophobicContact CD2-CG2 4.08Å; D208-T211 PolarHBondContact N-OG1 3.49Å; D208-T211 WeakPolarHBondContact O-CB 3.24Å; D208-T211 PolarHBondContact O-N 3.13Å; D208-T211 VanDerWaalsContact O-N 3.11Å; D208-T211 PolarHBondContact O-OG1 3.42Å; D208-T211 PolarHBondContact OD1-N 3.37Å; D208-T211 PolarHBondContact OD1-OG1 2.83Å; T211-Y213 HydrophobicContact CG2-CE1 3.88Å; T211-Y213 HydrophobicContact CG2-CE2 3.87Å; T211-Y213 WeakPolarHBondContact O-CD2 3.16Å; T211-Y213 WeakPolarHBondContact O-CE2 3.31Å
212	V	98.9	Very high	98.6	Very high	56 Å²	56	64.7 Å²	64.7	34%	0.339	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131	-179.7	-177.7	0	0	0	0	109.9	H172 T173 I174 K210	H172-V212 PolarHBondContact O-N 3.04Å; T173-V212 CarbonylContact C-O 3.6Å; T173-V212 VanDerWaalsContact CA-O 3.3Å; T173-V212 WeakPolarHBondContact CA-O 3.46Å; T173-V212 HydrophobicContact CG2-CB 4.22Å; T173-V212 HydrophobicContact CG2-CG1 4.31Å; I174-V212 PolarHBondContact N-O 2.8Å; K210-V212 PolarHBondContact O-N 3.41Å
213	Y	98.9	Very high	98.5	Very high	60 Å²	60	69.5 Å²	69.5	24%	0.235	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.5	-179.2	-59.6	-83.6	0	0	0	110.6	I174 I198 T211	I174-Y213 HydrophobicContact CB-CD1 4.42Å; I174-Y213 HydrophobicContact CD1-CE1 4.18Å; I198-Y213 HydrophobicContact CD1-CD1 3.88Å; I198-Y213 HydrophobicContact CD1-CE1 4.17Å; I198-Y213 HydrophobicContact CG2-CE1 4.18Å; T211-Y213 HydrophobicContact CG2-CE1 3.88Å; T211-Y213 HydrophobicContact CG2-CE2 3.87Å; T211-Y213 WeakPolarHBondContact O-CD2 3.16Å; T211-Y213 WeakPolarHBondContact O-CE2 3.31Å
214	H	98.9	Very high	98.5	Very high	90 Å²	90	66.8 Å²	66.8	42%	0.417	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	88.2	170	-65.9	-63.1	0	0	0	109	I174 V175 I176 P217	I174-H214 PolarHBondContact O-N 2.77Å; V175-H214 WeakPolarHBondContact CA-O 3.47Å; V175-H214 HydrophobicContact CB-CB 4.43Å; V175-H214 HydrophobicContact CG1-CB 4.19Å; V175-H214 HydrophobicContact CG2-CB 4.15Å; I176-H214 PolarHBondContact N-O 3.36Å; H214-P217 HydrophobicContact CB-CB 4.24Å; H214-P217 HydrophobicContact CB-CG 4.37Å
215	L	98.9	Very high	98.5	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.058	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.5	-175.7	-51.9	-178.1	0	0	0	109.1	I176 Q190 L193 K194 I198 P217	I176-L215 HydrophobicContact CB-CD2 4.08Å; I176-L215 HydrophobicContact CD1-CD2 4.21Å; I176-L215 HydrophobicContact CG1-CD2 4.07Å; Q190-L215 HydrophobicContact CB-CB 4.25Å; Q190-L215 HydrophobicContact CG-CB 3.91Å; Q190-L215 WeakPolarHBondContact CG-O 3.19Å; Q190-L215 PolarHBondContact NE2-O 3.48Å; Q190-L215 WeakPolarHBondContact O-CD1 3.47Å; L193-L215 HydrophobicContact CB-CD1 4.24Å; L193-L215 HydrophobicContact CD1-CB 4.32Å; K194-L215 HydrophobicContact CB-CD1 3.93Å; I198-L215 HydrophobicContact CD1-CD1 4.37Å; I198-L215 HydrophobicContact CD1-CD2 3.64Å; L215-P217 VanDerWaalsContact C-N 3.35Å
216	Q	98.7	Very high	98.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.009	29%	0.286	C	S	.	.	S	Bend	trans	49.3	50.6	-170.2	-58.8	-65	99.9	0	0	112.4	I176 V178 H180 L186 Q189 L193 S218 G219	I176-Q216 PolarHBondContact O-N 3.17Å; V178-Q216 PolarHBondContact O-NE2 2.99Å; V178-Q216 PolarHBondContact O-OE1 3.29Å; H180-Q216 PolarHBondContact CD2-NE2 3.32Å; L186-Q216 HydrophobicContact CD1-CB 3.48Å; L186-Q216 VanDerWaalsContact CD1-CB 3.48Å; L186-Q216 HydrophobicContact CD1-CG 4.35Å; Q189-Q216 HydrophobicContact CB-CG 4.08Å; Q189-Q216 VanDerWaalsContact OE1-CG 3.31Å; L193-Q216 HydrophobicContact CD1-CG 3.83Å; Q216-S218 PolarHBondContact O-N 2.72Å; Q216-G219 PolarHBondContact O-N 2.75Å
217	P	98.6	Very high	98.5	Very high	74 Å²	74	57.5 Å²	57.5	48%	0.481	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.7	-171.3	27.6	-36.2	0	0	0	114	V175 H214 L215 G219	V175-P217 HydrophobicContact CG1-CG 4.21Å; H214-P217 HydrophobicContact CB-CB 4.24Å; H214-P217 HydrophobicContact CB-CG 4.37Å; L215-P217 VanDerWaalsContact C-N 3.35Å; P217-G219 PolarHBondContact O-N 2.88Å
218	S	98.2	Very high	98.4	Very high	75 Å²	75	57.9 Å²	57.9	52%	0.524	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.8	172.7	65.4	0	0	0	0	113.5	Q216 R220	Q216-S218 PolarHBondContact O-N 2.72Å; S218-R220 PolarHBondContact O-N 3.02Å; S218-R220 PolarHBondContact OG-O 3.2Å; S218-R220 VanDerWaalsContact OG-O 3.04Å
219	G	98.1	Very high	98.4	Very high	34 Å²	34	58.6 Å²	58.6	35%	0.351	32%	0.315	S	S	.	.	S	Bend	trans	75.5	-38.4	-174.6	0	0	0	0	0	114.1	Q216 P217	Q216-G219 PolarHBondContact O-N 2.75Å; P217-G219 PolarHBondContact O-N 2.88Å
220	R	98.3	Very high	98.4	Very high	140 Å²	140	53.7 Å²	53.7	53%	0.528	30%	0.295	S	S	.	.			trans	-140.8	134.1	179.1	-173.2	174.7	176.8	79.1	-2	111	D182 S218 V222	D182-R220 IonicContact OD1-CZ 3.51Å; D182-R220 IonicContact OD1-NH1 2.85Å; D182-R220 PolarHBondContact OD1-NH1 3.43Å; D182-R220 IonicContact OD1-NH2 3.34Å; D182-R220 PolarHBondContact OD1-NH2 3.32Å; D182-R220 IonicContact OD2-NH2 2.71Å; D182-R220 PolarHBondContact OD2-NH2 3.26Å; S218-R220 PolarHBondContact O-N 3.02Å; S218-R220 PolarHBondContact OG-O 3.2Å; S218-R220 VanDerWaalsContact OG-O 3.04Å; R220-V222 HydrophobicContact CG-CG2 4.16Å
221	F	98.6	Very high	98.5	Very high	39 Å²	39	46.4 Å²	46.4	17%	0.171	26%	0.263	C	S	.	.			trans	-146.5	59.4	175.9	-164.9	-169.6	0	0	0	111.6	Q179 H180 I223	Q179-F221 VanDerWaalsContact CA-O 3.23Å; Q179-F221 WeakPolarHBondContact CA-O 3.45Å; H180-F221 PolarHBondContact N-O 3.37Å; H180-F221 VanDerWaalsContact N-O 3.1Å; H180-F221 PolarHBondContact NE2-N 3.3Å; F221-I223 WeakPolarHBondContact CD2-O 3.4Å; F221-I223 WeakPolarHBondContact CE2-O 3.3Å
222	V	98.6	Very high	98.5	Very high	33 Å²	33	48.2 Å²	48.2	20%	0.2	27%	0.274	C	S	.	.			trans	-79.7	-48.8	178	176.3	0	0	0	0	111.6	Q179 H180 D182 R220 G224	Q179-V222 WeakPolarHBondContact CG-O 3.48Å; Q179-V222 PolarHBondContact NE2-O 3.32Å; H180-V222 WeakPolarHBondContact O-CA 3.22Å; D182-V222 HydrophobicContact CB-CG2 4.49Å; R220-V222 HydrophobicContact CG-CG2 4.16Å; V222-G224 PolarHBondContact O-N 2.89Å
223	I	98.5	Very high	98.5	Very high	106 Å²	106	45.9 Å²	45.9	54%	0.544	26%	0.26	S	S	.	.	S	Bend	trans	-75	119.6	174.4	-60	173.6	0	0	0	108.3	F221 Q227	F221-I223 WeakPolarHBondContact CD2-O 3.4Å; F221-I223 WeakPolarHBondContact CE2-O 3.3Å; I223-Q227 HydrophobicContact CG2-CB 4.3Å; I223-Q227 HydrophobicContact CG2-CG 3.9Å
224	G	97.9	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.255	C	S	.	.			trans	-149	-170.2	-179	0	0	0	0	0	112.9	V222 Q227 G228	V222-G224 PolarHBondContact O-N 2.89Å; G224-Q227 PolarHBondContact O-N 3.35Å; G224-G228 PolarHBondContact O-N 3.46Å
225	G	98.1	Very high	98.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	60.9	-151.5	-178.6	0	0	0	0	0	112.5	T1 Y63 D150 Q227 G228 D229	T1-G225 WeakPolarHBondContact OG1-CA 3.46Å; T1-G225 PolarHBondContact OG1-O 3.25Å; Y63-G225 VanDerWaalsContact OH-CA 3.24Å; Y63-G225 WeakPolarHBondContact OH-CA 3.34Å; Y63-G225 PolarHBondContact OH-N 3.47Å; D150-G225 PolarHBondContact OD2-N 2.88Å; G225-Q227 PolarHBondContact O-N 3.05Å; G225-Q227 VanDerWaalsContact O-N 3.13Å; G225-G228 PolarHBondContact O-N 3.31Å; G225-G228 VanDerWaalsContact O-N 3.15Å; G225-D229 PolarHBondContact O-N 2.84Å; G225-D229 VanDerWaalsContact O-N 3.14Å
226	P	98.4	Very high	98.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-21.4	-179.2	-24.2	35.2	0	0	0	114.3	T1 I4 C31 K32 T33 F70 D229	T1-P226 HydrophobicContact CG2-CB 4.27Å; T1-P226 HydrophobicContact CG2-CG 4.12Å; I4-P226 HydrophobicContact CD1-CG 3.82Å; C31-P226 HydrophobicContact CB-CB 4.25Å; C31-P226 HydrophobicContact CB-CG 4.2Å; K32-P226 CarbonylContact C-O 3.43Å; K32-P226 WeakPolarHBondContact CD-O 3.5Å; K32-P226 WeakPolarHBondContact CE-O 3.42Å; K32-P226 PolarHBondContact NZ-O 3.42Å; K32-P226 WeakPolarHBondContact O-CB 3.35Å; T33-P226 PolarHBondContact N-O 3.33Å; F70-P226 HydrophobicContact CD1-CG 4.38Å; F70-P226 HydrophobicContact CD2-CB 3.85Å; F70-P226 HydrophobicContact CD2-CG 3.71Å; F70-P226 HydrophobicContact CE1-CG 4.46Å; F70-P226 HydrophobicContact CE2-CB 3.84Å; F70-P226 HydrophobicContact CE2-CG 3.82Å; F70-P226 HydrophobicContact CG-CG 4.01Å; F70-P226 HydrophobicContact CZ-CG 4.2Å; P226-D229 CarbonylContact C-O 3.27Å; P226-D229 VanDerWaalsContact CA-O 3.31Å; P226-D229 WeakPolarHBondContact CA-O 3.38Å
227	Q	98.2	Very high	98.4	Very high	81 Å²	81	51.3 Å²	51.3	38%	0.379	28%	0.284	S	S	.	.	H	α-helix	trans	-68.6	-49.3	174.9	-171	-178.3	30.8	0	0	110.9	K32 T33 G69 I223 G224 G225	K32-Q227 PolarHBondContact NZ-O 3.12Å; T33-Q227 HydrophobicContact CG2-CG 4.23Å; G69-Q227 VanDerWaalsContact CA-OE1 3.32Å; I223-Q227 HydrophobicContact CG2-CB 4.3Å; I223-Q227 HydrophobicContact CG2-CG 3.9Å; G224-Q227 PolarHBondContact O-N 3.35Å; G225-Q227 PolarHBondContact O-N 3.05Å; G225-Q227 VanDerWaalsContact O-N 3.13Å
228	G	97.6	Very high	98.4	Very high	44 Å²	44	51.3 Å²	51.3	45%	0.454	28%	0.279	S	S	.	.	H	α-helix	trans	-72.7	-36.4	-178.1	0	0	0	0	0	114.3	G224 G225	G224-G228 PolarHBondContact O-N 3.46Å; G225-G228 PolarHBondContact O-N 3.31Å; G225-G228 VanDerWaalsContact O-N 3.15Å
229	D	98.1	Very high	98.5	Very high	73 Å²	73	50.4 Å²	50.4	39%	0.39	27%	0.27	S	S	.	.	S	Bend	trans	-143.4	153.2	-175	-167.7	14.8	0	0	0	110.3	T1 K32 G225 P226	T1-D229 WeakPolarHBondContact CG2-O 3.41Å; K32-D229 PolarHBondContact NZ-O 3.1Å; K32-D229 VanDerWaalsContact NZ-O 3.17Å; G225-D229 PolarHBondContact O-N 2.84Å; G225-D229 VanDerWaalsContact O-N 3.14Å; P226-D229 CarbonylContact C-O 3.27Å; P226-D229 VanDerWaalsContact CA-O 3.31Å; P226-D229 WeakPolarHBondContact CA-O 3.38Å
230	A	98.7	Very high	98.5	Very high	46 Å²	46	48.9 Å²	48.9	38%	0.38	25%	0.254	S	S	.	.			trans	-77.9	145.7	171.8	0	0	0	0	0	109.5	K32	K32-A230 HydrophobicContact CD-CB 3.87Å
231	G	98.8	Very high	98.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.7	173.6	0	0	0	0	0	111.5	D2 C5 V30 C31	D2-G231 VanDerWaalsContact OD1-CA 3.31Å; D2-G231 WeakPolarHBondContact OD1-CA 3.49Å; C5-G231 PolarHBondContact SG-O 2.96Å; V30-G231 CarbonylContact C-O 3.52Å; V30-G231 WeakPolarHBondContact CA-O 3.21Å; C31-G231 PolarHBondContact N-O 3.42Å; C31-G231 PolarHBondContact O-N 3.11Å
232	V	98.9	Very high	98.5	Very high	48 Å²	48	40.6 Å²	40.6	29%	0.291	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.7	171.2	-173.9	0	0	0	0	109.7	D2 T29 V30 R235	D2-V232 PolarHBondContact OD1-N 3.32Å; T29-V232 WeakPolarHBondContact O-CA 3.47Å; V30-V232 HydrophobicContact CG1-CG2 4.44Å; V30-V232 HydrophobicContact CG2-CG1 4.39Å; V30-V232 HydrophobicContact CG2-CG2 4.37Å; V232-R235 HydrophobicContact CB-CG 3.77Å; V232-R235 HydrophobicContact CG1-CG 4.39Å; V232-R235 PolarHBondContact O-N 3.49Å
233	T	98.9	Very high	98.5	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.049	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	140.9	171.6	-63	0	0	0	0	110.6	C5 S9 E28 T29 R235	C5-T233 VanDerWaalsContact CB-N 3.3Å; C5-T233 WeakPolarHBondContact CB-OG1 3.46Å; C5-T233 PolarHBondContact O-OG1 3.27Å; S9-T233 PolarHBondContact OG-OG1 3.17Å; E28-T233 VanDerWaalsContact OE2-CB 3.26Å; E28-T233 WeakPolarHBondContact OE2-CB 3.36Å; E28-T233 WeakPolarHBondContact OE2-CG2 3.35Å; T29-T233 WeakPolarHBondContact CB-OG1 3.18Å; T29-T233 PolarHBondContact N-OG1 3.48Å; T29-T233 PolarHBondContact O-N 3.46Å; T29-T233 PolarHBondContact O-OG1 3.16Å; T233-R235 VanDerWaalsContact C-N 3.28Å; T233-R235 PolarHBondContact O-N 3.47Å
234	G	98.4	Very high	98.5	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	12.1	176	0	0	0	0	0	115.5	D6 K236 I237 A252	D6-G234 PolarHBondContact OD1-N 2.92Å; G234-K236 VanDerWaalsContact C-N 3.27Å; G234-K236 PolarHBondContact O-N 3.31Å; G234-I237 VanDerWaalsContact O-CG2 3.32Å; G234-I237 WeakPolarHBondContact O-CG2 3.43Å; G234-A252 VanDerWaalsContact CA-CB 3.43Å
235	R	98.7	Very high	98.6	Very high	165 Å²	165	41.7 Å²	41.7	62%	0.623	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	11.4	173.6	-67.6	-61.4	-57.6	-75	-0.4	114.1	D2 V232 T233	D2-R235 HydrophobicContact CB-CB 4.24Å; V232-R235 HydrophobicContact CB-CG 3.77Å; V232-R235 HydrophobicContact CG1-CG 4.39Å; V232-R235 PolarHBondContact O-N 3.49Å; T233-R235 VanDerWaalsContact C-N 3.28Å; T233-R235 PolarHBondContact O-N 3.47Å
236	K	98.6	Very high	98.6	Very high	59 Å²	59	43 Å²	43	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	25.8	-177.9	-67.9	-68.4	164.2	-79.3	0	113.3	D2 K3 G234 I238 V239 D240	D2-K236 HydrophobicContact CB-CG 3.72Å; D2-K236 WeakPolarHBondContact OD2-CE 3.48Å; D2-K236 IonicContact OD2-NZ 2.63Å; D2-K236 PolarHBondContact OD2-NZ 3.11Å; K3-K236 HydrophobicContact CD-CB 4.19Å; K3-K236 HydrophobicContact CD-CG 4.34Å; K3-K236 HydrophobicContact CG-CG 4.5Å; G234-K236 VanDerWaalsContact C-N 3.27Å; G234-K236 PolarHBondContact O-N 3.31Å; K236-I238 PolarHBondContact O-N 3.48Å; K236-V239 HydrophobicContact CB-CB 4.16Å; K236-V239 HydrophobicContact CB-CG2 4.45Å; K236-V239 HydrophobicContact CD-CG2 3.95Å; K236-V239 CarbonylContact O-C 3.51Å; K236-V239 WeakPolarHBondContact O-CA 3.05Å; K236-V239 VanDerWaalsContact O-CB 3.3Å; K236-V239 WeakPolarHBondContact O-CB 3.18Å; K236-V239 PolarHBondContact O-N 2.97Å; K236-D240 PolarHBondContact O-N 3.48Å
237	I	98.8	Very high	98.6	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.205	27%	0.271	C	S	.	.	H	α-helix	trans	-51.6	-34.6	-177.3	64.8	-173.2	0	0	0	115.2	G234 D240 T241 A252	G234-I237 VanDerWaalsContact O-CG2 3.32Å; G234-I237 WeakPolarHBondContact O-CG2 3.43Å; I237-D240 PolarHBondContact O-N 2.73Å; I237-T241 WeakPolarHBondContact O-CB 3.37Å; I237-T241 WeakPolarHBondContact O-CG2 3.41Å; I237-T241 PolarHBondContact O-N 2.87Å; I237-T241 PolarHBondContact O-OG1 2.82Å; I237-A252 HydrophobicContact CG2-CB 4.31Å
238	I	98.9	Very high	98.6	Very high	74 Å²	74	42.9 Å²	42.9	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-77.8	-31.6	177	-57.4	-55.5	0	0	0	112.3	K236 D240 G243 H248	K236-I238 PolarHBondContact O-N 3.48Å; I238-D240 VanDerWaalsContact C-N 3.3Å; I238-G243 WeakPolarHBondContact O-CA 3.46Å; I238-G243 PolarHBondContact O-N 3.23Å; I238-H248 HydrophobicContact CD1-CB 3.65Å
239	V	98.8	Very high	98.7	Very high	55 Å²	55	42.1 Å²	42.1	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-69.4	-33.7	171.9	178.3	0	0	0	0	110	H129 K236 T241	H129-V239 PolarHBondContact CE1-O 3.35Å; H129-V239 PolarHBondContact NE2-O 3.32Å; K236-V239 HydrophobicContact CB-CB 4.16Å; K236-V239 HydrophobicContact CB-CG2 4.45Å; K236-V239 HydrophobicContact CD-CG2 3.95Å; K236-V239 CarbonylContact O-C 3.51Å; K236-V239 WeakPolarHBondContact O-CA 3.05Å; K236-V239 VanDerWaalsContact O-CB 3.3Å; K236-V239 WeakPolarHBondContact O-CB 3.18Å; K236-V239 PolarHBondContact O-N 2.97Å; V239-T241 VanDerWaalsContact C-N 3.28Å; V239-T241 PolarHBondContact O-N 3.15Å
240	D	98.8	Very high	98.7	Very high	2 Å²	2	41 Å²	41	1%	0.011	26%	0.261	C	S	.	.	H	α-helix	trans	-72	-24.1	178.5	-74.7	-36.5	0	0	0	114.7	K3 K236 I237 I238 F253 H350	K3-D240 VanDerWaalsContact CE-OD1 3.22Å; K3-D240 WeakPolarHBondContact CE-OD1 3.45Å; K3-D240 IonicContact NZ-OD1 3.62Å; K3-D240 PolarHBondContact NZ-OD1 2.94Å; K3-D240 IonicContact NZ-OD2 3.08Å; K3-D240 PolarHBondContact NZ-OD2 2.92Å; K236-D240 PolarHBondContact O-N 3.48Å; I237-D240 PolarHBondContact O-N 2.73Å; I238-D240 VanDerWaalsContact C-N 3.3Å; D240-F253 HydrophobicContact CB-CD2 4Å; D240-F253 HydrophobicContact CB-CE2 3.97Å; D240-H350 PolarHBondContact O-N 3.47Å; D240-H350 IonicContact OD1-CD2 3.83Å; D240-H350 PolarHBondContact OD1-CD2 3.12Å; D240-H350 IonicContact OD1-NE2 2.98Å
241	T	98.9	Very high	98.7	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.031	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-109.1	-173.5	55.4	0	0	0	0	110.8	M121 I237 V239 H248 F253 F351	M121-T241 VanDerWaalsContact CE-O 3.31Å; M121-T241 WeakPolarHBondContact CE-O 3.44Å; I237-T241 WeakPolarHBondContact O-CB 3.37Å; I237-T241 WeakPolarHBondContact O-CG2 3.41Å; I237-T241 PolarHBondContact O-N 2.87Å; I237-T241 PolarHBondContact O-OG1 2.82Å; V239-T241 VanDerWaalsContact C-N 3.28Å; V239-T241 PolarHBondContact O-N 3.15Å; T241-H248 PolarHBondContact OG1-CD2 3.41Å; T241-F253 HydrophobicContact CG2-CE2 3.43Å; T241-F253 VanDerWaalsContact CG2-CE2 3.43Å; T241-F253 HydrophobicContact CG2-CZ 3.37Å; T241-F351 HydrophobicContact CG2-CD2 4.49Å; T241-F351 HydrophobicContact CG2-CE2 3.82Å
242	Y	98.9	Very high	98.7	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	12.2	-160.5	-51.9	-59	0	0	0	113.1	G111 Y112 M121 G244 W245 F351	G111-Y242 WeakPolarHBondContact CA-OH 3.35Å; Y112-Y242 HydrophobicContact CD1-CD1 4.04Å; Y112-Y242 HydrophobicContact CD1-CG 4.15Å; Y112-Y242 HydrophobicContact CG-CD1 4.45Å; Y112-Y242 HydrophobicContact CG-CG 4.36Å; Y112-Y242 PolarHBondContact N-OH 3.11Å; Y112-Y242 WeakPolarHBondContact O-CE1 3.39Å; M121-Y242 HydrophobicContact CE-CD1 4.06Å; M121-Y242 HydrophobicContact SD-CD1 4Å; M121-Y242 HydrophobicContact SD-CE1 4.16Å; Y242-G244 PolarHBondContact O-N 3.02Å; Y242-W245 VanDerWaalsContact CB-O 3.23Å; Y242-W245 WeakPolarHBondContact CB-O 3.32Å; Y242-W245 WeakPolarHBondContact O-CB 3.25Å; Y242-W245 PolarHBondContact O-N 3.31Å; Y242-W245 VanDerWaalsContact O-N 3.08Å; Y242-F351 HydrophobicContact CD1-CD2 4.1Å; Y242-F351 HydrophobicContact CE1-CB 4.48Å; Y242-F351 AromaticContact CE1-CD2 3.31Å; Y242-F351 HydrophobicContact CE1-CD2 3.31Å; Y242-F351 AromaticContact CE1-CE2 3.79Å; Y242-F351 HydrophobicContact CE1-CE2 3.79Å; Y242-F351 HydrophobicContact CE1-CG 4.18Å; Y242-F351 HydrophobicContact CE2-CD2 4.48Å; Y242-F351 HydrophobicContact CE2-CE2 4.18Å; Y242-F351 AromaticContact CZ-CD2 3.53Å; Y242-F351 AromaticContact CZ-CE2 3.46Å; Y242-F351 VanDerWaalsContact CZ-CE2 3.46Å; Y242-F351 WeakPolarHBondContact OH-CE2 3.46Å
243	G	98.6	Very high	98.7	Very high	30 Å²	30	38 Å²	38	31%	0.309	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	30.4	173.6	0	0	0	0	0	114.5	I238	I238-G243 WeakPolarHBondContact O-CA 3.46Å; I238-G243 PolarHBondContact O-N 3.23Å
244	G	98.4	Very high	98.7	Very high	65 Å²	65	37.6 Å²	37.6	67%	0.67	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.4	-10	-178.6	0	0	0	0	0	114.3	Y242	Y242-G244 PolarHBondContact O-N 3.02Å
245	W	98.8	Very high	98.7	Very high	67 Å²	67	37 Å²	37	25%	0.254	23%	0.233	S	C	.	.	S	Bend	trans	-81.2	162.2	172.2	-64.1	89.7	0	0	0	112	Y112 P122 T124 Y159 V166 Y242 A247	Y112-W245 HydrophobicContact CD1-CB 4.49Å; Y112-W245 HydrophobicContact CE1-CB 4.01Å; P122-W245 HydrophobicContact CB-CB 4.49Å; P122-W245 HydrophobicContact CB-CD2 4.42Å; P122-W245 HydrophobicContact CB-CG 3.86Å; P122-W245 HydrophobicContact CG-CB 3.7Å; P122-W245 VanDerWaalsContact CG-CD1 3.47Å; P122-W245 HydrophobicContact CG-CD2 4.45Å; P122-W245 HydrophobicContact CG-CG 3.6Å; T124-W245 PolarHBondContact OG1-NE1 2.91Å; T124-W245 VanDerWaalsContact OG1-NE1 3.15Å; Y159-W245 HydrophobicContact CD2-CH2 4.42Å; Y159-W245 HydrophobicContact CD2-CZ2 4.21Å; Y159-W245 HydrophobicContact CE2-CH2 4.33Å; Y159-W245 AromaticContact CE2-CZ2 3.72Å; Y159-W245 HydrophobicContact CE2-CZ2 3.72Å; Y159-W245 AromaticContact CZ-CZ2 3.96Å; V166-W245 HydrophobicContact CG1-CH2 4.3Å; V166-W245 HydrophobicContact CG1-CZ3 4.24Å; V166-W245 HydrophobicContact CG2-CH2 4.46Å; V166-W245 HydrophobicContact CG2-CZ3 4.43Å; Y242-W245 VanDerWaalsContact CB-O 3.23Å; Y242-W245 WeakPolarHBondContact CB-O 3.32Å; Y242-W245 WeakPolarHBondContact O-CB 3.25Å; Y242-W245 PolarHBondContact O-N 3.31Å; Y242-W245 VanDerWaalsContact O-N 3.08Å; W245-A247 PolarHBondContact O-N 2.99Å
246	G	98.6	Very high	98.7	Very high	27 Å²	27	30.2 Å²	30.2	28%	0.278	21%	0.208	S	C	.	.	S	Bend	trans	64.1	-123.7	-177.1	0	0	0	0	0	111.3
247	A	98.8	Very high	98.7	Very high	32 Å²	32	27.4 Å²	27.4	26%	0.264	20%	0.196	S	C	.	.			trans	-154.7	173.5	174.6	0	0	0	0	0	110.1	F110 W245 L286	F110-A247 HydrophobicContact CB-CB 4.41Å; F110-A247 HydrophobicContact CD1-CB 3.77Å; F110-A247 HydrophobicContact CD2-CB 3.79Å; F110-A247 HydrophobicContact CE1-CB 3.81Å; F110-A247 HydrophobicContact CE2-CB 3.82Å; F110-A247 HydrophobicContact CG-CB 3.74Å; F110-A247 HydrophobicContact CZ-CB 3.83Å; W245-A247 PolarHBondContact O-N 2.99Å; A247-L286 HydrophobicContact CB-CD1 4.19Å; A247-L286 HydrophobicContact CB-CD2 3.98Å
248	H	98.8	Very high	98.7	Very high	46 Å²	46	26 Å²	26	21%	0.213	19%	0.189	C	C	.	.			trans	-139.5	143.2	176	-161.9	-83	0	0	0	110.6	I238 T241 G250 G251	I238-H248 HydrophobicContact CD1-CB 3.65Å; T241-H248 PolarHBondContact OG1-CD2 3.41Å; H248-G250 PolarHBondContact ND1-N 2.97Å; H248-G251 PolarHBondContact CE1-O 3.3Å; H248-G251 VanDerWaalsContact CE1-O 3.32Å
249	G	98.5	Very high	98.7	Very high	29 Å²	29	22.4 Å²	22.4	30%	0.299	17%	0.17	S	C	.	.			trans	-92.1	-15.1	-174.4	0	0	0	0	0	116	L108	L108-G249 VanDerWaalsContact CD1-CA 3.45Å; L108-G249 WeakPolarHBondContact O-CA 3.38Å
250	G	98.3	Very high	98.7	Very high	48 Å²	48	21 Å²	21	50%	0.495	16%	0.16	S	C	.	.	S	Bend	trans	112	-30.3	173.9	0	0	0	0	0	113.2	H248 A252	H248-G250 PolarHBondContact ND1-N 2.97Å; G250-A252 PolarHBondContact O-N 3.36Å
251	G	98.3	Very high	98.7	Very high	14 Å²	14	20.9 Å²	20.9	14%	0.144	16%	0.159	C	C	.	.			trans	-62.7	128.7	179.5	0	0	0	0	0	114.1	H248 D262	H248-G251 PolarHBondContact CE1-O 3.3Å; H248-G251 VanDerWaalsContact CE1-O 3.32Å; G251-D262 VanDerWaalsContact CA-CG 3.45Å; G251-D262 WeakPolarHBondContact CA-OD1 3.49Å
252	A	98.8	Very high	98.7	Very high	14 Å²	14	21.8 Å²	21.8	12%	0.116	16%	0.164	C	C	.	.			trans	-74.1	158.1	169.7	0	0	0	0	0	111.9	G234 I237 G250 K256	G234-A252 VanDerWaalsContact CA-CB 3.43Å; I237-A252 HydrophobicContact CG2-CB 4.31Å; G250-A252 PolarHBondContact O-N 3.36Å; A252-K256 WeakPolarHBondContact O-CD 3.48Å; A252-K256 WeakPolarHBondContact O-CE 3.43Å; A252-K256 PolarHBondContact O-NZ 3.37Å
253	F	98.9	Very high	98.7	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.018	16%	0.164	C	C	.	.			trans	-97.4	-56.9	179.4	-54.5	-30.8	0	0	0	112.8	D240 T241 K256 D262 R263 A266 Y267 H350 F351	D240-F253 HydrophobicContact CB-CD2 4Å; D240-F253 HydrophobicContact CB-CE2 3.97Å; T241-F253 HydrophobicContact CG2-CE2 3.43Å; T241-F253 VanDerWaalsContact CG2-CE2 3.43Å; T241-F253 HydrophobicContact CG2-CZ 3.37Å; F253-K256 WeakPolarHBondContact O-CB 3.47Å; F253-K256 PolarHBondContact O-N 2.91Å; F253-D262 WeakPolarHBondContact CD1-O 3.36Å; F253-D262 VanDerWaalsContact CE1-O 3.24Å; F253-D262 WeakPolarHBondContact CE1-O 3.17Å; F253-R263 VanDerWaalsContact C-CZ 3.41Å; F253-R263 VanDerWaalsContact C-NH2 3.27Å; F253-R263 HydrophobicContact CB-CB 4.49Å; F253-R263 HydrophobicContact CD1-CB 4.34Å; F253-R263 PolarHBondContact O-NE 3.47Å; F253-R263 PolarHBondContact O-NH1 3.41Å; F253-R263 PolarHBondContact O-NH2 3.46Å; F253-R263 VanDerWaalsContact O-NH2 3.16Å; F253-A266 HydrophobicContact CE1-CB 3.69Å; F253-A266 HydrophobicContact CZ-CB 4Å; F253-Y267 HydrophobicContact CD2-CE1 4.46Å; F253-H350 HydrophobicContact CD2-CB 4.4Å; F253-H350 AromaticContact CD2-CD2 3.74Å; F253-H350 AromaticContact CD2-CE1 3.74Å; F253-H350 AromaticContact CD2-CG 3.68Å; F253-H350 AromaticContact CD2-ND1 3.66Å; F253-H350 AromaticContact CD2-NE2 3.76Å; F253-H350 HydrophobicContact CE2-CB 4.45Å; F253-F351 HydrophobicContact CE2-CZ 4.45Å; F253-F351 HydrophobicContact CZ-CZ 4.44Å
254	S	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	140.3	-171	-45	0	0	0	0	113.6	D6 D10 K256	D6-S254 WeakPolarHBondContact CB-OG 3.46Å; D6-S254 VanDerWaalsContact CG-OG 3.25Å; D6-S254 WeakPolarHBondContact OD1-CB 3.26Å; D6-S254 PolarHBondContact OD1-OG 3.28Å; D10-S254 WeakPolarHBondContact OD1-CA 3.37Å; S254-K256 VanDerWaalsContact C-N 3.33Å
255	G	98.8	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	9.5	177	0	0	0	0	0	115.3	D10 V25 A26 C27	D10-G255 PolarHBondContact OD1-N 2.65Å; V25-G255 CarbonylContact C-O 3.43Å; V25-G255 WeakPolarHBondContact CG1-O 3.43Å; A26-G255 CarbonylContact C-O 3.6Å; A26-G255 WeakPolarHBondContact CA-O 3.35Å; C27-G255 PolarHBondContact N-O 3.16Å
256	K	98.9	Very high	98.8	Very high	22 Å²	22	14.3 Å²	14.3	10%	0.096	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-117.8	131.9	-175.8	-60.8	179.8	179.8	175.2	0	112.8	L13 V25 A252 F253 S254 K260 D262 R263	L13-K256 VanDerWaalsContact CD2-O 3.26Å; L13-K256 WeakPolarHBondContact CD2-O 3.46Å; V25-K256 WeakPolarHBondContact O-CA 3.4Å; A252-K256 WeakPolarHBondContact O-CD 3.48Å; A252-K256 WeakPolarHBondContact O-CE 3.43Å; A252-K256 PolarHBondContact O-NZ 3.37Å; F253-K256 WeakPolarHBondContact O-CB 3.47Å; F253-K256 PolarHBondContact O-N 2.91Å; S254-K256 VanDerWaalsContact C-N 3.33Å; K256-K260 HydrophobicContact CB-CB 3.86Å; K256-K260 HydrophobicContact CB-CG 4.09Å; K256-K260 HydrophobicContact CD-CB 4.04Å; K256-K260 HydrophobicContact CD-CG 4.21Å; K256-K260 HydrophobicContact CG-CB 4.35Å; K256-K260 HydrophobicContact CG-CG 4.29Å; K256-D262 HydrophobicContact CD-CB 4.49Å; K256-D262 IonicContact NZ-OD2 2.91Å; K256-D262 PolarHBondContact NZ-OD2 3.23Å; K256-R263 WeakPolarHBondContact O-CD 3.42Å; K256-R263 PolarHBondContact O-NH1 3.21Å
257	D	98.9	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	9%	0.094	C	C	.	.			trans	-72.6	172	171.1	76	-94.4	0	0	0	112.4	L13 A23 K24 V25 S259 K260	L13-D257 HydrophobicContact CD1-CB 4.18Å; A23-D257 WeakPolarHBondContact O-CB 3.32Å; K24-D257 WeakPolarHBondContact CA-OD1 3.1Å; V25-D257 HydrophobicContact CB-CB 4.48Å; V25-D257 PolarHBondContact N-OD1 3.49Å; V25-D257 PolarHBondContact O-N 3.12Å; D257-S259 PolarHBondContact O-N 3.34Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 VanDerWaalsContact OD2-CB 3.25Å; D257-S259 WeakPolarHBondContact OD2-CB 3.46Å; D257-S259 PolarHBondContact OD2-N 3.38Å; D257-S259 PolarHBondContact OD2-OG 2.98Å; D257-K260 PolarHBondContact O-N 2.93Å; D257-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 IonicContact OD1-NZ 3.51Å; D257-K260 PolarHBondContact OD1-NZ 2.89Å
258	F	98.8	Very high	98.8	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.039	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.5	-172.5	80.4	-91.5	0	0	0	114.3	I101 K260 S264 V332 L337 K338	I101-F258 HydrophobicContact CD1-CD2 4.26Å; I101-F258 HydrophobicContact CD1-CE2 3.33Å; I101-F258 HydrophobicContact CD1-CZ 3.83Å; F258-K260 PolarHBondContact O-N 3.31Å; F258-S264 WeakPolarHBondContact O-CB 3.27Å; F258-S264 PolarHBondContact O-OG 3.04Å; F258-V332 HydrophobicContact CB-CB 4.27Å; F258-V332 HydrophobicContact CB-CG2 4.11Å; F258-V332 HydrophobicContact CD1-CB 4.38Å; F258-V332 HydrophobicContact CD1-CG2 3.72Å; F258-V332 HydrophobicContact CD2-CB 3.35Å; F258-V332 HydrophobicContact CD2-CG1 3.85Å; F258-V332 HydrophobicContact CD2-CG2 3.65Å; F258-V332 HydrophobicContact CE1-CG2 3.97Å; F258-V332 HydrophobicContact CE2-CB 3.59Å; F258-V332 HydrophobicContact CE2-CG1 3.52Å; F258-V332 HydrophobicContact CE2-CG2 3.84Å; F258-V332 HydrophobicContact CG-CB 3.75Å; F258-V332 HydrophobicContact CG-CG2 3.54Å; F258-V332 HydrophobicContact CZ-CB 4.24Å; F258-V332 HydrophobicContact CZ-CG1 4.09Å; F258-V332 HydrophobicContact CZ-CG2 4.01Å; F258-L337 HydrophobicContact CB-CB 3.7Å; F258-L337 HydrophobicContact CB-CD1 4.21Å; F258-K338 HydrophobicContact CD1-CG 4.25Å; F258-K338 HydrophobicContact CE1-CG 4.27Å
259	S	98.7	Very high	98.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.5	-179.8	98.2	0	0	0	0	111.8	G104 D257 V261	G104-S259 VanDerWaalsContact CA-O 3.3Å; G104-S259 WeakPolarHBondContact CA-O 3.48Å; G104-S259 PolarHBondContact N-O 2.64Å; D257-S259 PolarHBondContact O-N 3.34Å; D257-S259 VanDerWaalsContact O-N 3.11Å; D257-S259 VanDerWaalsContact OD2-CB 3.25Å; D257-S259 WeakPolarHBondContact OD2-CB 3.46Å; D257-S259 PolarHBondContact OD2-N 3.38Å; D257-S259 PolarHBondContact OD2-OG 2.98Å; S259-V261 PolarHBondContact O-N 3.18Å
260	K	98.8	Very high	98.8	Very high	24 Å²	24	8 Å²	8	10%	0.104	6%	0.058	C	C	.	.			trans	-84.1	102.8	176.9	-77.9	65.4	178.6	177.7	0	108.3	K256 D257 F258 D262 R263 S264	K256-K260 HydrophobicContact CB-CB 3.86Å; K256-K260 HydrophobicContact CB-CG 4.09Å; K256-K260 HydrophobicContact CD-CB 4.04Å; K256-K260 HydrophobicContact CD-CG 4.21Å; K256-K260 HydrophobicContact CG-CB 4.35Å; K256-K260 HydrophobicContact CG-CG 4.29Å; D257-K260 PolarHBondContact O-N 2.93Å; D257-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 IonicContact OD1-NZ 3.51Å; D257-K260 PolarHBondContact OD1-NZ 2.89Å; F258-K260 PolarHBondContact O-N 3.31Å; K260-D262 PolarHBondContact O-N 2.99Å; K260-D262 VanDerWaalsContact O-N 3.1Å; K260-R263 PolarHBondContact O-N 3.34Å; K260-S264 PolarHBondContact O-N 3.31Å; K260-S264 PolarHBondContact O-OG 2.82Å
261	V	98.7	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.5	-21.4	-173.6	-72.7	0	0	0	0	113.8	A103 D105 M109 S259 R263 A265 Y291 P328	A103-V261 HydrophobicContact CB-CB 4.48Å; A103-V261 HydrophobicContact CB-CG1 3.6Å; A103-V261 HydrophobicContact CB-CG2 4.04Å; D105-V261 WeakPolarHBondContact O-CG2 3.41Å; M109-V261 HydrophobicContact CE-CB 4.15Å; M109-V261 HydrophobicContact CE-CG2 3.66Å; M109-V261 WeakPolarHBondContact CG-O 3.31Å; M109-V261 HydrophobicContact SD-CB 4.29Å; M109-V261 HydrophobicContact SD-CG2 4.33Å; S259-V261 PolarHBondContact O-N 3.18Å; V261-R263 PolarHBondContact O-N 3.1Å; V261-R263 VanDerWaalsContact O-N 3.12Å; V261-A265 HydrophobicContact CB-CB 4.09Å; V261-A265 WeakPolarHBondContact O-CA 3.22Å; V261-A265 WeakPolarHBondContact O-CB 3.17Å; V261-A265 PolarHBondContact O-N 2.93Å; V261-Y291 HydrophobicContact CB-CD2 3.94Å; V261-Y291 HydrophobicContact CB-CE2 4.28Å; V261-Y291 HydrophobicContact CB-CG 4.36Å; V261-Y291 HydrophobicContact CG1-CD1 4.31Å; V261-Y291 HydrophobicContact CG1-CD2 4.07Å; V261-Y291 HydrophobicContact CG1-CE1 4.5Å; V261-Y291 HydrophobicContact CG1-CE2 4.3Å; V261-Y291 HydrophobicContact CG1-CG 4.1Å; V261-Y291 HydrophobicContact CG2-CD2 4.1Å; V261-Y291 HydrophobicContact CG2-CG 4.31Å; V261-P328 HydrophobicContact CG1-CB 4.41Å; V261-P328 HydrophobicContact CG1-CG 3.62Å
262	D	98.8	Very high	98.9	Very high	25 Å²	25	6.2 Å²	6.2	13%	0.134	3%	0.032	C	C	.	.	H	α-helix	trans	-47.2	-42	169.9	-72.7	-26	0	0	0	112.3	M109 G251 F253 K256 K260 A266	M109-D262 WeakPolarHBondContact CE-OD1 3.19Å; G251-D262 VanDerWaalsContact CA-CG 3.45Å; G251-D262 WeakPolarHBondContact CA-OD1 3.49Å; F253-D262 WeakPolarHBondContact CD1-O 3.36Å; F253-D262 VanDerWaalsContact CE1-O 3.24Å; F253-D262 WeakPolarHBondContact CE1-O 3.17Å; K256-D262 HydrophobicContact CD-CB 4.49Å; K256-D262 IonicContact NZ-OD2 2.91Å; K256-D262 PolarHBondContact NZ-OD2 3.23Å; K260-D262 PolarHBondContact O-N 2.99Å; K260-D262 VanDerWaalsContact O-N 3.1Å; D262-A266 WeakPolarHBondContact O-CB 3.45Å
263	R	98.9	Very high	98.9	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-92	-58.7	-179.7	169.7	174.5	-92	-179.1	-9.8	111.4	D10 F253 K256 K260 V261 A265 A266 Y267	D10-R263 IonicContact OD1-CZ 3.57Å; D10-R263 VanDerWaalsContact OD1-CZ 3.28Å; D10-R263 IonicContact OD1-NH1 2.82Å; D10-R263 PolarHBondContact OD1-NH1 3.12Å; D10-R263 IonicContact OD1-NH2 3.64Å; D10-R263 PolarHBondContact OD1-NH2 2.9Å; D10-R263 IonicContact OD2-CZ 2.71Å; D10-R263 IonicContact OD2-NH2 3.26Å; D10-R263 PolarHBondContact OD2-NH2 2.94Å; F253-R263 VanDerWaalsContact C-CZ 3.41Å; F253-R263 VanDerWaalsContact C-NH2 3.27Å; F253-R263 HydrophobicContact CB-CB 4.49Å; F253-R263 HydrophobicContact CD1-CB 4.34Å; F253-R263 PolarHBondContact O-NE 3.47Å; F253-R263 PolarHBondContact O-NH1 3.41Å; F253-R263 PolarHBondContact O-NH2 3.46Å; F253-R263 VanDerWaalsContact O-NH2 3.16Å; K256-R263 WeakPolarHBondContact O-CD 3.42Å; K256-R263 PolarHBondContact O-NH1 3.21Å; K260-R263 PolarHBondContact O-N 3.34Å; V261-R263 PolarHBondContact O-N 3.1Å; V261-R263 VanDerWaalsContact O-N 3.12Å; R263-A265 PolarHBondContact O-N 3.48Å; R263-A266 PolarHBondContact O-N 3.47Å; R263-Y267 HydrophobicContact CG-CD2 4.37Å; R263-Y267 HydrophobicContact CG-CE1 4.21Å; R263-Y267 HydrophobicContact CG-CE2 3.93Å; R263-Y267 WeakPolarHBondContact O-CD1 3.39Å; R263-Y267 PolarHBondContact O-N 3.13Å
264	S	98.9	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.6	-42.1	-170	54	0	0	0	0	112.1	F258 K260 Y267 A268	F258-S264 WeakPolarHBondContact O-CB 3.27Å; F258-S264 PolarHBondContact O-OG 3.04Å; K260-S264 PolarHBondContact O-N 3.31Å; K260-S264 PolarHBondContact O-OG 2.82Å; S264-Y267 PolarHBondContact O-N 2.91Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.23Å
265	A	98.9	Very high	98.9	Very high	1 Å²	1	6 Å²	6	1%	0.008	3%	0.028	C	C	.	.	H	α-helix	trans	-75.9	-29.1	178.5	0	0	0	0	0	112.7	M109 V261 R263 A268 A269 V289 Y291	M109-A265 HydrophobicContact CB-CB 4.46Å; M109-A265 HydrophobicContact CG-CB 4.21Å; M109-A265 HydrophobicContact SD-CB 4.06Å; V261-A265 HydrophobicContact CB-CB 4.09Å; V261-A265 WeakPolarHBondContact O-CA 3.22Å; V261-A265 WeakPolarHBondContact O-CB 3.17Å; V261-A265 PolarHBondContact O-N 2.93Å; R263-A265 PolarHBondContact O-N 3.48Å; A265-A268 PolarHBondContact O-N 2.95Å; A265-A269 WeakPolarHBondContact O-CB 3.38Å; A265-A269 PolarHBondContact O-N 2.79Å; A265-V289 HydrophobicContact CB-CG2 4Å; A265-Y291 HydrophobicContact CB-CD2 4.36Å; A265-Y291 HydrophobicContact CB-CE2 3.43Å; A265-Y291 VanDerWaalsContact CB-CE2 3.43Å
266	A	98.9	Very high	98.9	Very high	4 Å²	4	6 Å²	6	3%	0.033	3%	0.028	C	C	.	.	H	α-helix	trans	-65.3	-41.9	169.9	0	0	0	0	0	111.6	M109 F253 D262 R263 A269 R270	M109-A266 HydrophobicContact CB-CB 4.2Å; M109-A266 HydrophobicContact CG-CB 4.45Å; F253-A266 HydrophobicContact CE1-CB 3.69Å; F253-A266 HydrophobicContact CZ-CB 4Å; D262-A266 WeakPolarHBondContact O-CB 3.45Å; R263-A266 PolarHBondContact O-N 3.47Å; A266-A269 PolarHBondContact O-N 3.34Å; A266-R270 PolarHBondContact O-N 3.08Å
267	Y	98.9	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.5	-44.2	174.1	-70	5.4	0	0	0	111.5	F253 R263 S264 R270 W271 L337 Y342 H350 F351 W358	F253-Y267 HydrophobicContact CD2-CE1 4.46Å; R263-Y267 HydrophobicContact CG-CD2 4.37Å; R263-Y267 HydrophobicContact CG-CE1 4.21Å; R263-Y267 HydrophobicContact CG-CE2 3.93Å; R263-Y267 WeakPolarHBondContact O-CD1 3.39Å; R263-Y267 PolarHBondContact O-N 3.13Å; S264-Y267 PolarHBondContact O-N 2.91Å; Y267-R270 WeakPolarHBondContact O-CB 3.48Å; Y267-R270 PolarHBondContact O-N 3.05Å; Y267-W271 WeakPolarHBondContact O-CB 3.34Å; Y267-W271 PolarHBondContact O-N 3.04Å; Y267-L337 HydrophobicContact CD2-CD2 4.05Å; Y267-Y342 HydrophobicContact CE2-CE1 4.28Å; Y267-H350 HydrophobicContact CE1-CB 4.08Å; Y267-H350 AromaticContact CE1-ND1 3.66Å; Y267-H350 AromaticContact CZ-ND1 3.59Å; Y267-H350 PolarHBondContact OH-CE1 2.81Å; Y267-H350 PolarHBondContact OH-ND1 2.76Å; Y267-F351 AromaticContact CD1-CE1 3.58Å; Y267-F351 HydrophobicContact CD1-CE1 3.58Å; Y267-F351 AromaticContact CD1-CZ 3.99Å; Y267-F351 HydrophobicContact CD1-CZ 3.99Å; Y267-F351 HydrophobicContact CE1-CE1 4.05Å; Y267-F351 HydrophobicContact CE1-CZ 4.44Å; Y267-F351 HydrophobicContact CG-CE1 4.45Å; Y267-W358 AromaticContact CD2-CD2 3.73Å; Y267-W358 HydrophobicContact CD2-CD2 3.73Å; Y267-W358 AromaticContact CD2-CE3 3.4Å; Y267-W358 HydrophobicContact CD2-CE3 3.4Å; Y267-W358 VanDerWaalsContact CD2-CE3 3.4Å; Y267-W358 AromaticContact CD2-CH2 3.75Å; Y267-W358 HydrophobicContact CD2-CH2 3.75Å; Y267-W358 HydrophobicContact CD2-CZ2 4.04Å; Y267-W358 AromaticContact CD2-CZ3 3.42Å; Y267-W358 HydrophobicContact CD2-CZ3 3.42Å; Y267-W358 VanDerWaalsContact CD2-CZ3 3.42Å; Y267-W358 HydrophobicContact CE1-CZ2 4.44Å; Y267-W358 HydrophobicContact CE2-CD2 4.26Å; Y267-W358 AromaticContact CE2-CE3 3.91Å; Y267-W358 HydrophobicContact CE2-CE3 3.91Å; Y267-W358 AromaticContact CE2-CH2 3.32Å; Y267-W358 HydrophobicContact CE2-CH2 3.32Å; Y267-W358 AromaticContact CE2-CZ2 3.69Å; Y267-W358 HydrophobicContact CE2-CZ2 3.69Å; Y267-W358 AromaticContact CE2-CZ3 3.44Å; Y267-W358 HydrophobicContact CE2-CZ3 3.44Å; Y267-W358 VanDerWaalsContact CE2-CZ3 3.44Å; Y267-W358 AromaticContact CG-CD2 3.92Å; Y267-W358 HydrophobicContact CG-CD2 3.92Å; Y267-W358 HydrophobicContact CG-CE3 4.03Å; Y267-W358 HydrophobicContact CG-CG 4.33Å; Y267-W358 HydrophobicContact CG-CZ3 4.41Å; Y267-W358 AromaticContact CZ-CH2 3.94Å; Y267-W358 AromaticContact CZ-CZ2 3.91Å; Y267-W358 WeakPolarHBondContact O-CB 3.44Å
268	A	98.9	Very high	98.9	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.017	4%	0.043	C	C	.	.	H	α-helix	trans	-64.5	-40.7	176.1	0	0	0	0	0	112	S264 A265 R270 W271 V272 L326 I331 L335	S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.23Å; A265-A268 PolarHBondContact O-N 2.95Å; A268-R270 VanDerWaalsContact C-N 3.34Å; A268-R270 PolarHBondContact O-N 2.98Å; A268-W271 WeakPolarHBondContact O-CB 3.15Å; A268-W271 PolarHBondContact O-N 2.92Å; A268-W271 VanDerWaalsContact O-N 3.14Å; A268-V272 WeakPolarHBondContact O-CG2 3.5Å; A268-V272 PolarHBondContact O-N 3.38Å; A268-L326 HydrophobicContact CB-CD2 4.06Å; A268-I331 HydrophobicContact CB-CD1 3.69Å; A268-I331 HydrophobicContact CB-CG1 3.9Å; A268-I331 HydrophobicContact CB-CG2 4.01Å; A268-L335 HydrophobicContact CB-CD1 4.39Å
269	A	98.9	Very high	98.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64	-40	175.8	0	0	0	0	0	111.4	G111 A265 A266 W271 V272 A273 V287 V289	G111-A269 VanDerWaalsContact CA-C 3.41Å; A265-A269 WeakPolarHBondContact O-CB 3.38Å; A265-A269 PolarHBondContact O-N 2.79Å; A266-A269 PolarHBondContact O-N 3.34Å; A269-W271 VanDerWaalsContact C-N 3.33Å; A269-V272 PolarHBondContact O-N 2.99Å; A269-A273 WeakPolarHBondContact O-CB 3.24Å; A269-A273 PolarHBondContact O-N 3.39Å; A269-V287 HydrophobicContact CB-CB 4.43Å; A269-V287 HydrophobicContact CB-CG1 4.36Å; A269-V289 HydrophobicContact CB-CG2 4.44Å
270	R	98.9	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-46.4	170.2	168.6	60.6	177.5	174.4	2.8	111.1	Y112 E119 C120 M121 A266 Y267 A268 V272 A273 K274 F351 E359	Y112-R270 WeakPolarHBondContact O-CD 3.22Å; Y112-R270 PolarHBondContact O-NH1 3.48Å; E119-R270 PolarHBondContact O-NH2 3.2Å; C120-R270 PolarHBondContact O-NH1 3.28Å; M121-R270 PolarHBondContact SD-NH1 3.36Å; A266-R270 PolarHBondContact O-N 3.08Å; Y267-R270 WeakPolarHBondContact O-CB 3.48Å; Y267-R270 PolarHBondContact O-N 3.05Å; A268-R270 VanDerWaalsContact C-N 3.34Å; A268-R270 PolarHBondContact O-N 2.98Å; R270-V272 PolarHBondContact O-N 2.93Å; R270-A273 PolarHBondContact O-N 2.81Å; R270-K274 WeakPolarHBondContact O-CB 3.48Å; R270-K274 PolarHBondContact O-N 3.05Å; R270-F351 HydrophobicContact CB-CD1 3.97Å; R270-F351 HydrophobicContact CB-CE1 3.73Å; R270-F351 HydrophobicContact CB-CE2 4.44Å; R270-F351 HydrophobicContact CB-CG 4.44Å; R270-F351 HydrophobicContact CB-CZ 3.98Å; R270-F351 HydrophobicContact CG-CB 4.38Å; R270-F351 HydrophobicContact CG-CD1 3.56Å; R270-F351 HydrophobicContact CG-CD2 4.49Å; R270-F351 HydrophobicContact CG-CE1 3.87Å; R270-F351 HydrophobicContact CG-CG 3.9Å; R270-F351 HydrophobicContact CG-CZ 4.45Å; R270-E359 IonicContact CZ-OE1 3.08Å; R270-E359 IonicContact CZ-OE2 3.49Å; R270-E359 IonicContact NE-OE1 3.3Å; R270-E359 PolarHBondContact NE-OE1 3.01Å; R270-E359 IonicContact NE-OE2 2.7Å; R270-E359 IonicContact NH2-OE1 3.22Å; R270-E359 PolarHBondContact NH2-OE1 2.98Å; R270-E359 IonicContact NH2-OE2 2.82Å; R270-E359 PolarHBondContact NH2-OE2 2.69Å
271	W	98.9	Very high	98.9	Very high	24 Å²	24	18.8 Å²	18.8	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-44.3	179.5	-179.4	49.4	0	0	0	112	Y267 A268 A269 S275 F324 D334 L335 W358 V360 K362	Y267-W271 WeakPolarHBondContact O-CB 3.34Å; Y267-W271 PolarHBondContact O-N 3.04Å; A268-W271 WeakPolarHBondContact O-CB 3.15Å; A268-W271 PolarHBondContact O-N 2.92Å; A268-W271 VanDerWaalsContact O-N 3.14Å; A269-W271 VanDerWaalsContact C-N 3.33Å; W271-S275 VanDerWaalsContact O-CB 3.29Å; W271-S275 WeakPolarHBondContact O-CB 3.3Å; W271-S275 PolarHBondContact O-N 3.5Å; W271-S275 PolarHBondContact O-OG 3.31Å; W271-F324 HydrophobicContact CD2-CD1 4.28Å; W271-F324 AromaticContact CD2-CE1 3.69Å; W271-F324 HydrophobicContact CD2-CE1 3.69Å; W271-F324 AromaticContact CE2-CE1 3.94Å; W271-F324 AromaticContact CE3-CD1 3.57Å; W271-F324 HydrophobicContact CE3-CD1 3.57Å; W271-F324 AromaticContact CE3-CE1 3.47Å; W271-F324 HydrophobicContact CE3-CE1 3.47Å; W271-F324 VanDerWaalsContact CE3-CE1 3.47Å; W271-F324 HydrophobicContact CG-CE1 4.49Å; W271-F324 AromaticContact CH2-CD1 4Å; W271-F324 HydrophobicContact CH2-CD1 4Å; W271-F324 AromaticContact CH2-CE1 3.88Å; W271-F324 HydrophobicContact CH2-CE1 3.88Å; W271-F324 HydrophobicContact CZ2-CE1 4.04Å; W271-F324 AromaticContact CZ3-CD1 3.42Å; W271-F324 HydrophobicContact CZ3-CD1 3.42Å; W271-F324 VanDerWaalsContact CZ3-CD1 3.42Å; W271-F324 AromaticContact CZ3-CE1 3.58Å; W271-F324 HydrophobicContact CZ3-CE1 3.58Å; W271-D334 HydrophobicContact CH2-CB 4.22Å; W271-D334 HydrophobicContact CZ3-CB 4.33Å; W271-L335 HydrophobicContact CD2-CD2 3.98Å; W271-L335 HydrophobicContact CE3-CD2 4.07Å; W271-L335 HydrophobicContact CG-CD2 4.23Å; W271-L335 HydrophobicContact CZ3-CD2 4.49Å; W271-W358 WeakPolarHBondContact CA-O 3.07Å; W271-W358 HydrophobicContact CB-CB 4.05Å; W271-V360 PolarHBondContact NE1-O 2.79Å; W271-K362 HydrophobicContact CH2-CB 4.44Å; W271-K362 HydrophobicContact CH2-CD 3.67Å; W271-K362 HydrophobicContact CH2-CG 4.35Å; W271-K362 HydrophobicContact CZ2-CB 3.62Å; W271-K362 HydrophobicContact CZ2-CD 3.68Å; W271-K362 HydrophobicContact CZ2-CG 3.84Å
272	V	98.9	Very high	98.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-52.5	172.5	173.8	0	0	0	0	110.7	A268 A269 R270 K274 S275 L276 V287 V320 F324 L326	A268-V272 WeakPolarHBondContact O-CG2 3.5Å; A268-V272 PolarHBondContact O-N 3.38Å; A269-V272 PolarHBondContact O-N 2.99Å; R270-V272 PolarHBondContact O-N 2.93Å; V272-K274 PolarHBondContact O-N 3.24Å; V272-S275 PolarHBondContact O-N 3.41Å; V272-L276 HydrophobicContact CG1-CD1 4.11Å; V272-L276 WeakPolarHBondContact O-CG 3.23Å; V272-L276 PolarHBondContact O-N 3.08Å; V272-V287 HydrophobicContact CB-CG2 4.49Å; V272-V287 HydrophobicContact CG1-CG1 4.28Å; V272-V287 HydrophobicContact CG1-CG2 4.08Å; V272-V320 HydrophobicContact CG1-CB 4.47Å; V272-V320 HydrophobicContact CG1-CG1 3.92Å; V272-V320 HydrophobicContact CG1-CG2 3.66Å; V272-V320 HydrophobicContact CG2-CG1 4.48Å; V272-F324 HydrophobicContact CG1-CE2 4.4Å; V272-F324 HydrophobicContact CG2-CB 4.31Å; V272-F324 HydrophobicContact CG2-CD1 3.71Å; V272-F324 HydrophobicContact CG2-CD2 3.9Å; V272-F324 HydrophobicContact CG2-CE1 3.91Å; V272-F324 HydrophobicContact CG2-CE2 4.08Å; V272-F324 HydrophobicContact CG2-CG 3.71Å; V272-F324 HydrophobicContact CG2-CZ 4.08Å; V272-L326 HydrophobicContact CG2-CD2 4.29Å
273	A	98.9	Very high	98.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.9	-48.4	-178.1	0	0	0	0	0	111.8	A113 A269 R270 S275 L276 V277 V285 V287	A113-A273 VanDerWaalsContact CB-C 3.5Å; A113-A273 HydrophobicContact CB-CB 3.84Å; A113-A273 WeakPolarHBondContact CB-O 3.4Å; A269-A273 WeakPolarHBondContact O-CB 3.24Å; A269-A273 PolarHBondContact O-N 3.39Å; R270-A273 PolarHBondContact O-N 2.81Å; A273-S275 VanDerWaalsContact C-N 3.34Å; A273-S275 PolarHBondContact O-N 3.11Å; A273-L276 PolarHBondContact O-N 3.2Å; A273-V277 PolarHBondContact O-N 3.07Å; A273-V277 VanDerWaalsContact O-N 3.16Å; A273-V285 HydrophobicContact CB-CG1 3.88Å; A273-V285 WeakPolarHBondContact O-CG1 3.5Å; A273-V287 HydrophobicContact CB-CG2 3.76Å
274	K	98.9	Very high	98.8	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.057	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-38.3	179.5	-167.3	177.8	-171.4	-177.2	0	111.7	C120 R270 V272 V277 K278 E359 P361	C120-K274 HydrophobicContact CB-CG 4.06Å; R270-K274 WeakPolarHBondContact O-CB 3.48Å; R270-K274 PolarHBondContact O-N 3.05Å; V272-K274 PolarHBondContact O-N 3.24Å; K274-V277 PolarHBondContact O-N 3.15Å; K274-K278 HydrophobicContact CG-CG 4.26Å; K274-K278 WeakPolarHBondContact O-CB 3.39Å; K274-K278 WeakPolarHBondContact O-CG 3.47Å; K274-K278 PolarHBondContact O-N 2.88Å; K274-E359 WeakPolarHBondContact CD-O 3.4Å; K274-E359 VanDerWaalsContact CD-OE2 3.32Å; K274-E359 WeakPolarHBondContact CD-OE2 3.32Å; K274-E359 WeakPolarHBondContact CE-O 3.43Å; K274-E359 WeakPolarHBondContact CE-OE2 3.28Å; K274-E359 PolarHBondContact NZ-O 3.47Å; K274-E359 IonicContact NZ-OE2 3.17Å; K274-E359 PolarHBondContact NZ-OE2 3.11Å; K274-P361 HydrophobicContact CG-CG 4.49Å
275	S	98.9	Very high	98.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-44	176.6	-57.5	0	0	0	0	111.9	W271 V272 A273 V277 K278 A279 K362	W271-S275 VanDerWaalsContact O-CB 3.29Å; W271-S275 WeakPolarHBondContact O-CB 3.3Å; W271-S275 PolarHBondContact O-N 3.5Å; W271-S275 PolarHBondContact O-OG 3.31Å; V272-S275 PolarHBondContact O-N 3.41Å; A273-S275 VanDerWaalsContact C-N 3.34Å; A273-S275 PolarHBondContact O-N 3.11Å; S275-V277 PolarHBondContact O-N 2.85Å; S275-K278 PolarHBondContact O-N 2.93Å; S275-A279 WeakPolarHBondContact O-CB 3.43Å; S275-A279 PolarHBondContact O-N 3.31Å; S275-K362 PolarHBondContact OG-N 3.24Å
276	L	98.9	Very high	98.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.2	-68.2	171.1	0	0	0	112.3	V272 A273 K280 L281 V285 L303 V320 L364	V272-L276 HydrophobicContact CG1-CD1 4.11Å; V272-L276 WeakPolarHBondContact O-CG 3.23Å; V272-L276 PolarHBondContact O-N 3.08Å; A273-L276 PolarHBondContact O-N 3.2Å; L276-K280 PolarHBondContact O-N 2.7Å; L276-L281 HydrophobicContact CD2-CD1 3.8Å; L276-L281 PolarHBondContact O-N 3.18Å; L276-L281 VanDerWaalsContact O-N 3.08Å; L276-V285 HydrophobicContact CB-CG1 4.41Å; L276-V285 HydrophobicContact CD1-CG1 4.46Å; L276-V285 HydrophobicContact CD1-CG2 4.21Å; L276-L303 HydrophobicContact CD1-CD2 4.05Å; L276-V320 HydrophobicContact CD1-CG2 4.06Å; L276-V320 HydrophobicContact CD2-CG2 4.21Å; L276-V320 HydrophobicContact CG-CG2 4.47Å; L276-L364 HydrophobicContact CD2-CD1 3.88Å
277	V	98.9	Very high	98.9	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.067	11%	0.108	C	C	.	.	H	α-helix	trans	-68	-44.6	177.8	173.9	0	0	0	0	111.7	A113 D115 A273 K274 S275 A279 K280 C282 V285	A113-V277 HydrophobicContact CB-CB 4.23Å; A113-V277 HydrophobicContact CB-CG2 3.66Å; D115-V277 HydrophobicContact CB-CG1 4.08Å; A273-V277 PolarHBondContact O-N 3.07Å; A273-V277 VanDerWaalsContact O-N 3.16Å; K274-V277 PolarHBondContact O-N 3.15Å; S275-V277 PolarHBondContact O-N 2.85Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 2.84Å; V277-K280 WeakPolarHBondContact O-CA 3.45Å; V277-K280 PolarHBondContact O-N 2.95Å; V277-C282 WeakPolarHBondContact CA-O 3.36Å; V277-V285 HydrophobicContact CG2-CG1 3.98Å
278	K	98.8	Very high	98.9	Very high	77 Å²	77	26 Å²	26	34%	0.335	12%	0.118	S	C	.	.	H	α-helix	trans	-69.7	-28.5	179.2	-71.5	-76.5	-168.8	-177.4	0	112.7	E118 C120 K274 S275 K280 P361	E118-K278 WeakPolarHBondContact O-CE 3.49Å; E118-K278 PolarHBondContact O-NZ 2.97Å; E118-K278 IonicContact OE1-NZ 3.16Å; E118-K278 PolarHBondContact OE1-NZ 2.98Å; C120-K278 WeakPolarHBondContact SG-CE 3.39Å; K274-K278 HydrophobicContact CG-CG 4.26Å; K274-K278 WeakPolarHBondContact O-CB 3.39Å; K274-K278 WeakPolarHBondContact O-CG 3.47Å; K274-K278 PolarHBondContact O-N 2.88Å; S275-K278 PolarHBondContact O-N 2.93Å; K278-K280 PolarHBondContact O-N 2.76Å; K278-P361 HydrophobicContact CB-CB 3.94Å; K278-P361 HydrophobicContact CB-CG 3.85Å; K278-P361 HydrophobicContact CD-CG 4.46Å; K278-P361 HydrophobicContact CG-CB 4.26Å; K278-P361 HydrophobicContact CG-CG 3.64Å
279	A	98.7	Very high	98.8	Very high	28 Å²	28	25.9 Å²	25.9	23%	0.231	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.6	168.4	0	0	0	0	0	113.5	S275 V277 L281 L364	S275-A279 WeakPolarHBondContact O-CB 3.43Å; S275-A279 PolarHBondContact O-N 3.31Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 2.84Å; A279-L281 HydrophobicContact CB-CD1 4.23Å; A279-L281 HydrophobicContact CB-CG 4.1Å; A279-L281 PolarHBondContact O-N 2.82Å; A279-L364 HydrophobicContact CB-CD1 3.98Å; A279-L364 HydrophobicContact CB-CG 4.47Å
280	K	98.5	Very high	98.8	Very high	192 Å²	192	26.9 Å²	26.9	84%	0.835	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	26.9	-178.6	-54.3	177.8	-179.8	175.2	0	113.6	L276 V277 K278	L276-K280 PolarHBondContact O-N 2.7Å; V277-K280 WeakPolarHBondContact O-CA 3.45Å; V277-K280 PolarHBondContact O-N 2.95Å; K278-K280 PolarHBondContact O-N 2.76Å
281	L	98.6	Very high	98.8	Very high	16 Å²	16	27 Å²	27	8%	0.084	13%	0.125	C	C	.	.	S	Bend	trans	-77.7	-27.3	175.1	-70.4	176.6	0	0	0	111.9	L276 A279 S309 K311 L316 I319 L364 Y366	L276-L281 HydrophobicContact CD2-CD1 3.8Å; L276-L281 PolarHBondContact O-N 3.18Å; L276-L281 VanDerWaalsContact O-N 3.08Å; A279-L281 HydrophobicContact CB-CD1 4.23Å; A279-L281 HydrophobicContact CB-CG 4.1Å; A279-L281 PolarHBondContact O-N 2.82Å; L281-S309 VanDerWaalsContact O-CB 3.32Å; L281-S309 WeakPolarHBondContact O-CB 3.46Å; L281-S309 PolarHBondContact O-OG 2.84Å; L281-S309 VanDerWaalsContact O-OG 3.05Å; L281-K311 HydrophobicContact CD2-CD 4.1Å; L281-L316 HydrophobicContact CB-CD2 3.93Å; L281-L316 HydrophobicContact CD1-CD2 4.15Å; L281-L316 HydrophobicContact CG-CD2 4.45Å; L281-I319 HydrophobicContact CD1-CD1 4.22Å; L281-I319 HydrophobicContact CD1-CG2 4.38Å; L281-L364 HydrophobicContact CD1-CD1 3.91Å; L281-Y366 HydrophobicContact CD1-CD1 4.09Å; L281-Y366 HydrophobicContact CD1-CE1 3.89Å; L281-Y366 HydrophobicContact CD2-CD2 4.21Å; L281-Y366 HydrophobicContact CD2-CE1 4.08Å; L281-Y366 HydrophobicContact CD2-CE2 3.69Å; L281-Y366 HydrophobicContact CG-CE1 4.2Å
282	C	98.7	Very high	98.8	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.027	13%	0.132	C	C	.	.			trans	-151.2	160.8	174.6	56.9	0	0	0	0	109.4	V277 T305 S308	V277-C282 WeakPolarHBondContact CA-O 3.36Å; C282-T305 HydrophobicContact CB-CG2 4.07Å; C282-S308 WeakPolarHBondContact CA-O 3.31Å
283	R	98.8	Very high	98.8	Very high	86 Å²	86	31 Å²	31	33%	0.325	15%	0.151	S	C	.	.	S	Bend	trans	-94.1	-24.6	174.5	-55.4	-176.2	63.3	-148.7	-13.4	112.7	T114 D115 A165 S308	T114-R283 CarbonylContact C-O 3.44Å; D115-R283 HydrophobicContact CB-CB 4.44Å; D115-R283 WeakPolarHBondContact CB-O 3.41Å; D115-R283 PolarHBondContact N-O 3.08Å; D115-R283 IonicContact OD1-CZ 3.92Å; D115-R283 IonicContact OD1-NE 3.85Å; D115-R283 IonicContact OD1-NH2 3.29Å; D115-R283 PolarHBondContact OD1-NH2 3.41Å; D115-R283 IonicContact OD2-CZ 3.2Å; D115-R283 IonicContact OD2-NE 2.71Å; D115-R283 PolarHBondContact OD2-NE 2.89Å; D115-R283 IonicContact OD2-NH2 2.81Å; D115-R283 PolarHBondContact OD2-NH2 2.85Å; A165-R283 HydrophobicContact CB-CB 3.95Å; A165-R283 VanDerWaalsContact CB-CZ 3.42Å; R283-S308 PolarHBondContact N-O 3.3Å; R283-S308 PolarHBondContact N-OG 3.36Å; R283-S308 VanDerWaalsContact N-OG 3.12Å
284	R	98.8	Very high	98.7	Very high	30 Å²	30	31.6 Å²	31.6	11%	0.113	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.3	179.8	-161.5	173.2	86.4	170.8	-6.4	109.7	Y112 A113 G164 V166 T305 Y306 S308	Y112-R284 HydrophobicContact CE2-CG 3.87Å; Y112-R284 VanDerWaalsContact OH-CD 3.27Å; Y112-R284 WeakPolarHBondContact OH-CD 3.49Å; Y112-R284 WeakPolarHBondContact OH-CG 3.21Å; A113-R284 WeakPolarHBondContact O-CA 3.37Å; G164-R284 PolarHBondContact O-NE 2.93Å; V166-R284 VanDerWaalsContact CG1-NH1 3.26Å; R284-T305 CarbonylContact O-C 3.57Å; R284-T305 VanDerWaalsContact O-C 3.3Å; R284-T305 VanDerWaalsContact O-CA 3.31Å; R284-T305 WeakPolarHBondContact O-CA 3.41Å; R284-Y306 HydrophobicContact CB-CD2 4.14Å; R284-Y306 HydrophobicContact CG-CD2 3.91Å; R284-Y306 HydrophobicContact CG-CE2 4.16Å; R284-Y306 VanDerWaalsContact NE-CD2 3.32Å; R284-S308 PolarHBondContact N-OG 2.69Å; R284-S308 PolarHBondContact O-OG 2.97Å; R284-S308 VanDerWaalsContact O-OG 3.06Å
285	V	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	140.8	-178.4	67	0	0	0	0	112.3	Y112 A113 A273 L276 V277 V287 L303 F304 T305	Y112-V285 WeakPolarHBondContact CA-O 3.48Å; Y112-V285 VanDerWaalsContact CD2-O 3.25Å; Y112-V285 WeakPolarHBondContact CD2-O 3.32Å; A113-V285 HydrophobicContact CB-CG1 4.44Å; A113-V285 PolarHBondContact N-O 3.27Å; A113-V285 VanDerWaalsContact N-O 3.1Å; A113-V285 PolarHBondContact O-N 2.92Å; A273-V285 HydrophobicContact CB-CG1 3.88Å; A273-V285 WeakPolarHBondContact O-CG1 3.5Å; L276-V285 HydrophobicContact CB-CG1 4.41Å; L276-V285 HydrophobicContact CD1-CG1 4.46Å; L276-V285 HydrophobicContact CD1-CG2 4.21Å; V277-V285 HydrophobicContact CG2-CG1 3.98Å; V285-V287 HydrophobicContact CG2-CG2 4.37Å; V285-L303 HydrophobicContact CG2-CD2 4.42Å; V285-F304 CarbonylContact C-O 3.57Å; V285-F304 VanDerWaalsContact CA-O 3.3Å; V285-F304 WeakPolarHBondContact CA-O 3.49Å; V285-T305 HydrophobicContact CG2-CG2 4.27Å
286	L	98.9	Very high	98.7	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.073	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.2	167.1	179.5	66.1	0	0	0	108.5	F110 G111 Y112 A247 L303 F304 Y306	F110-L286 HydrophobicContact CB-CD1 3.96Å; F110-L286 HydrophobicContact CD1-CD1 3.72Å; F110-L286 HydrophobicContact CD1-CD2 4.15Å; F110-L286 HydrophobicContact CD1-CG 3.96Å; F110-L286 HydrophobicContact CE1-CD2 4.3Å; F110-L286 HydrophobicContact CG-CD1 4.2Å; G111-L286 CarbonylContact O-C 3.54Å; G111-L286 WeakPolarHBondContact O-CA 3.39Å; Y112-L286 HydrophobicContact CD2-CB 4.42Å; Y112-L286 HydrophobicContact CD2-CD1 4.43Å; A247-L286 HydrophobicContact CB-CD1 4.19Å; A247-L286 HydrophobicContact CB-CD2 3.98Å; L286-L303 CarbonylContact O-C 3.55Å; L286-L303 WeakPolarHBondContact O-CA 3.38Å; L286-F304 HydrophobicContact CB-CB 4.3Å; L286-F304 HydrophobicContact CB-CD2 4.27Å; L286-F304 HydrophobicContact CD2-CD2 4.11Å; L286-F304 HydrophobicContact CG-CD2 4.22Å; L286-F304 PolarHBondContact N-O 3.42Å; L286-F304 PolarHBondContact O-N 2.88Å; L286-Y306 HydrophobicContact CB-CE2 4.06Å
287	V	98.9	Very high	98.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.6	178.3	-174.2	0	0	0	0	107.2	F110 G111 A269 V272 A273 V285 S302 L303	F110-V287 CarbonylContact C-O 3.52Å; F110-V287 WeakPolarHBondContact CA-O 3.48Å; G111-V287 PolarHBondContact N-O 3.43Å; G111-V287 PolarHBondContact O-N 2.99Å; A269-V287 HydrophobicContact CB-CB 4.43Å; A269-V287 HydrophobicContact CB-CG1 4.36Å; V272-V287 HydrophobicContact CB-CG2 4.49Å; V272-V287 HydrophobicContact CG1-CG1 4.28Å; V272-V287 HydrophobicContact CG1-CG2 4.08Å; A273-V287 HydrophobicContact CB-CG2 3.76Å; V285-V287 HydrophobicContact CG2-CG2 4.37Å; V287-S302 CarbonylContact C-O 3.58Å; V287-S302 WeakPolarHBondContact CA-O 3.05Å; V287-L303 HydrophobicContact CB-CD2 4.04Å; V287-L303 HydrophobicContact CG1-CD2 3.83Å; V287-L303 HydrophobicContact CG2-CD2 3.57Å
288	Q	98.9	Very high	98.7	Very high	47 Å²	47	40.5 Å²	40.5	22%	0.22	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.8	170.7	-171.7	-177.9	38.2	0	0	109.5	M109 F110 I301 S302	M109-Q288 WeakPolarHBondContact O-CA 3.21Å; F110-Q288 HydrophobicContact CD1-CB 3.8Å; F110-Q288 HydrophobicContact CD1-CG 3.98Å; F110-Q288 HydrophobicContact CE1-CB 3.59Å; F110-Q288 HydrophobicContact CE1-CG 3.51Å; F110-Q288 HydrophobicContact CZ-CB 4.46Å; F110-Q288 HydrophobicContact CZ-CG 3.88Å; F110-Q288 VanDerWaalsContact CZ-NE2 3.3Å; Q288-I301 CarbonylContact O-C 3.3Å; Q288-I301 VanDerWaalsContact O-CA 3.31Å; Q288-I301 WeakPolarHBondContact O-CA 3.47Å; Q288-S302 PolarHBondContact N-O 3Å; Q288-S302 PolarHBondContact O-N 3.16Å
289	V	98.8	Very high	98.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.8	168.3	-62.3	0	0	0	0	109.7	L108 M109 A265 A269 Y291 S300 I301 L326	L108-V289 CarbonylContact C-O 3.55Å; L108-V289 VanDerWaalsContact CA-O 3.3Å; L108-V289 WeakPolarHBondContact CA-O 3.36Å; M109-V289 HydrophobicContact CB-CG2 3.94Å; M109-V289 PolarHBondContact N-O 3.5Å; M109-V289 PolarHBondContact O-N 2.87Å; A265-V289 HydrophobicContact CB-CG2 4Å; A269-V289 HydrophobicContact CB-CG2 4.44Å; V289-Y291 HydrophobicContact CB-CE2 4.27Å; V289-Y291 HydrophobicContact CG2-CE2 3.99Å; V289-S300 WeakPolarHBondContact CA-O 3.36Å; V289-I301 HydrophobicContact CG1-CG1 4.25Å; V289-I301 HydrophobicContact CG1-CG2 4.29Å; V289-L326 HydrophobicContact CG1-CD1 3.78Å
290	S	98.8	Very high	98.6	Very high	20 Å²	20	42.9 Å²	42.9	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.7	174.6	69.6	0	0	0	0	112.8	G107 P298 L299 S300	G107-S290 CarbonylContact O-C 3.32Å; G107-S290 WeakPolarHBondContact O-CA 3.32Å; G107-S290 VanDerWaalsContact O-CB 3.3Å; G107-S290 WeakPolarHBondContact O-CB 3.35Å; S290-P298 CarbonylContact O-C 3.57Å; S290-P298 WeakPolarHBondContact O-CA 3.29Å; S290-L299 PolarHBondContact O-N 3.46Å; S290-S300 PolarHBondContact N-O 3.4Å; S290-S300 VanDerWaalsContact N-O 3.13Å; S290-S300 PolarHBondContact OG-N 3.03Å; S290-S300 PolarHBondContact OG-OG 2.8Å
291	Y	98.9	Very high	98.7	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159	-178	-60.5	-96.1	0	0	0	111.2	A103 Q106 G107 M109 V261 A265 V289 P298 L326 P328	A103-Y291 HydrophobicContact CB-CD1 3.96Å; A103-Y291 HydrophobicContact CB-CG 3.95Å; Q106-Y291 VanDerWaalsContact CA-O 3.24Å; Q106-Y291 WeakPolarHBondContact CA-O 3.4Å; Q106-Y291 WeakPolarHBondContact CB-O 3.4Å; G107-Y291 PolarHBondContact N-O 3.47Å; G107-Y291 VanDerWaalsContact N-O 3.11Å; G107-Y291 PolarHBondContact O-N 2.95Å; M109-Y291 HydrophobicContact SD-CD2 4.02Å; M109-Y291 HydrophobicContact SD-CE2 4.26Å; V261-Y291 HydrophobicContact CB-CD2 3.94Å; V261-Y291 HydrophobicContact CB-CE2 4.28Å; V261-Y291 HydrophobicContact CB-CG 4.36Å; V261-Y291 HydrophobicContact CG1-CD1 4.31Å; V261-Y291 HydrophobicContact CG1-CD2 4.07Å; V261-Y291 HydrophobicContact CG1-CE1 4.5Å; V261-Y291 HydrophobicContact CG1-CE2 4.3Å; V261-Y291 HydrophobicContact CG1-CG 4.1Å; V261-Y291 HydrophobicContact CG2-CD2 4.1Å; V261-Y291 HydrophobicContact CG2-CG 4.31Å; A265-Y291 HydrophobicContact CB-CD2 4.36Å; A265-Y291 HydrophobicContact CB-CE2 3.43Å; A265-Y291 VanDerWaalsContact CB-CE2 3.43Å; V289-Y291 HydrophobicContact CB-CE2 4.27Å; V289-Y291 HydrophobicContact CG2-CE2 3.99Å; Y291-P298 HydrophobicContact CE1-CB 4.07Å; Y291-P298 HydrophobicContact CE1-CG 3.77Å; Y291-L326 PolarHBondContact OH-O 3.49Å; Y291-P328 HydrophobicContact CE1-CG 4.46Å
292	A	98.5	Very high	98.7	Very high	28 Å²	28	36.5 Å²	36.5	23%	0.231	20%	0.2	C	C	.	.			trans	-108.7	146.6	160	0	0	0	0	0	109	G294 V295 L299	A292-G294 PolarHBondContact O-N 2.78Å; A292-V295 HydrophobicContact CB-CB 4.37Å; A292-V295 HydrophobicContact CB-CG2 4.02Å; A292-V295 PolarHBondContact O-N 2.73Å; A292-V295 VanDerWaalsContact O-N 3.11Å; A292-L299 HydrophobicContact CB-CD1 3.89Å; A292-L299 HydrophobicContact CB-CD2 4.24Å; A292-L299 HydrophobicContact CB-CG 4.37Å
293	I	97.9	Very high	98.5	Very high	79 Å²	79	36.8 Å²	36.8	41%	0.405	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-54.8	135.5	175.6	-169	169.3	0	0	0	110.9	V92 A103 V295	V92-I293 HydrophobicContact CG2-CD1 4.46Å; V92-I293 HydrophobicContact CG2-CG1 4Å; A103-I293 WeakPolarHBondContact O-CA 3.29Å; I293-V295 PolarHBondContact O-N 3.06Å
294	G	97.8	Very high	98.5	Very high	13 Å²	13	36.7 Å²	36.7	13%	0.134	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-4.5	179.9	0	0	0	0	0	115.3	G91 R96 G102 A103 A292	G91-G294 WeakPolarHBondContact O-CA 3.42Å; R96-G294 PolarHBondContact NH1-O 2.7Å; R96-G294 PolarHBondContact NH2-O 2.87Å; G102-G294 VanDerWaalsContact CA-C 3.48Å; A103-G294 PolarHBondContact O-N 2.71Å; A292-G294 PolarHBondContact O-N 2.78Å
295	V	98.7	Very high	98.5	Very high	63 Å²	63	35.6 Å²	35.6	38%	0.382	20%	0.2	S	C	.	.			trans	-101.3	127.1	176.1	-176.2	0	0	0	0	109.8	A103 A292 I293	A103-V295 PolarHBondContact N-O 2.75Å; A292-V295 HydrophobicContact CB-CB 4.37Å; A292-V295 HydrophobicContact CB-CG2 4.02Å; A292-V295 PolarHBondContact O-N 2.73Å; A292-V295 VanDerWaalsContact O-N 3.11Å; I293-V295 PolarHBondContact O-N 3.06Å
296	A	98.5	Very high	98.5	Very high	14 Å²	14	39.5 Å²	39.5	12%	0.116	22%	0.215	C	C	.	.			trans	-75.5	-47.4	-176.2	0	0	0	0	0	112.6	I101 R327 P328	I101-A296 WeakPolarHBondContact O-CA 3.5Å; I101-A296 VanDerWaalsContact O-CB 3.26Å; I101-A296 WeakPolarHBondContact O-CB 3.22Å; A296-R327 HydrophobicContact CB-CG 4.08Å; A296-R327 WeakPolarHBondContact O-CA 3.36Å; A296-P328 WeakPolarHBondContact O-CD 3.42Å
297	H	98.8	Very high	98.4	Very high	109 Å²	109	41.8 Å²	41.8	51%	0.505	24%	0.242	S	C	.	.	S	Bend	trans	-76	146.5	-179	-73.6	-78.1	0	0	0	111.6	R327	H297-R327 VanDerWaalsContact CE1-CD 3.45Å; H297-R327 WeakPolarHBondContact CE1-CD 3.46Å
298	P	98.6	Very high	98.4	Very high	26 Å²	26	42.5 Å²	42.5	17%	0.169	25%	0.247	C	C	.	.			trans	-58.9	141.5	171.1	-16.8	27	0	0	0	111.3	S290 Y291 I301 L326	S290-P298 CarbonylContact O-C 3.57Å; S290-P298 WeakPolarHBondContact O-CA 3.29Å; Y291-P298 HydrophobicContact CE1-CB 4.07Å; Y291-P298 HydrophobicContact CE1-CG 3.77Å; P298-I301 HydrophobicContact CB-CD1 4.45Å; P298-I301 HydrophobicContact CB-CG1 4.01Å; P298-I301 HydrophobicContact CG-CD1 4.22Å; P298-I301 HydrophobicContact CG-CG1 4.27Å; P298-L326 HydrophobicContact CG-CB 3.78Å
299	L	98.6	Very high	98.4	Very high	111 Å²	111	41.4 Å²	41.4	58%	0.581	24%	0.244	S	C	*	.	S	Bend	trans	-72.3	-35.7	171.5	-57.7	179.8	0	0	0	111.5	S290 A292	S290-L299 PolarHBondContact O-N 3.46Å; A292-L299 HydrophobicContact CB-CD1 3.89Å; A292-L299 HydrophobicContact CB-CD2 4.24Å; A292-L299 HydrophobicContact CB-CG 4.37Å
300	S	98.5	Very high	98.3	Very high	43 Å²	43	51.1 Å²	51.1	30%	0.301	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.6	177.3	71	0	0	0	0	111.4	V289 S290	V289-S300 WeakPolarHBondContact CA-O 3.36Å; S290-S300 PolarHBondContact N-O 3.4Å; S290-S300 VanDerWaalsContact N-O 3.13Å; S290-S300 PolarHBondContact OG-N 3.03Å; S290-S300 PolarHBondContact OG-OG 2.8Å
301	I	98.8	Very high	98.3	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.185	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.2	167.7	-53.7	174.1	0	0	0	106.6	Q288 V289 P298 L317 L326	Q288-I301 CarbonylContact O-C 3.3Å; Q288-I301 VanDerWaalsContact O-CA 3.31Å; Q288-I301 WeakPolarHBondContact O-CA 3.47Å; V289-I301 HydrophobicContact CG1-CG1 4.25Å; V289-I301 HydrophobicContact CG1-CG2 4.29Å; P298-I301 HydrophobicContact CB-CD1 4.45Å; P298-I301 HydrophobicContact CB-CG1 4.01Å; P298-I301 HydrophobicContact CG-CD1 4.22Å; P298-I301 HydrophobicContact CG-CG1 4.27Å; I301-L317 HydrophobicContact CB-CD1 3.95Å; I301-L317 HydrophobicContact CG2-CD1 3.57Å; I301-L326 HydrophobicContact CD1-CD1 3.93Å; I301-L326 HydrophobicContact CG1-CD1 4.46Å
302	S	98.6	Very high	98.3	Very high	39 Å²	39	55.9 Å²	55.9	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149	177.6	-58.9	0	0	0	0	111	V287 Q288	V287-S302 CarbonylContact C-O 3.58Å; V287-S302 WeakPolarHBondContact CA-O 3.05Å; Q288-S302 PolarHBondContact N-O 3Å; Q288-S302 PolarHBondContact O-N 3.16Å
303	L	95.9	Very high	98.3	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.2	-178.5	-65	170.8	0	0	0	109.3	L276 V285 L286 V287 E313 L316 L317 V320	L276-L303 HydrophobicContact CD1-CD2 4.05Å; V285-L303 HydrophobicContact CG2-CD2 4.42Å; L286-L303 CarbonylContact O-C 3.55Å; L286-L303 WeakPolarHBondContact O-CA 3.38Å; V287-L303 HydrophobicContact CB-CD2 4.04Å; V287-L303 HydrophobicContact CG1-CD2 3.83Å; V287-L303 HydrophobicContact CG2-CD2 3.57Å; L303-E313 WeakPolarHBondContact O-CG 3.4Å; L303-L316 HydrophobicContact CD1-CB 3.84Å; L303-L317 VanDerWaalsContact CD1-CA 3.49Å; L303-L317 HydrophobicContact CD1-CB 3.96Å; L303-L317 HydrophobicContact CD1-CD1 4.23Å; L303-L317 HydrophobicContact CG-CD1 4.45Å; L303-V320 HydrophobicContact CD1-CB 4.46Å; L303-V320 HydrophobicContact CD1-CG2 3.82Å; L303-V320 HydrophobicContact CD2-CG2 4.38Å
304	F	98.8	Very high	98.3	Very high	85 Å²	85	58.1 Å²	58.1	37%	0.373	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.2	176.5	-48.8	-78.9	0	0	0	109.6	V285 L286 E313	V285-F304 CarbonylContact C-O 3.57Å; V285-F304 VanDerWaalsContact CA-O 3.3Å; V285-F304 WeakPolarHBondContact CA-O 3.49Å; L286-F304 HydrophobicContact CB-CB 4.3Å; L286-F304 HydrophobicContact CB-CD2 4.27Å; L286-F304 HydrophobicContact CD2-CD2 4.11Å; L286-F304 HydrophobicContact CG-CD2 4.22Å; L286-F304 PolarHBondContact N-O 3.42Å; L286-F304 PolarHBondContact O-N 2.88Å; F304-E313 VanDerWaalsContact CA-OE1 3.3Å; F304-E313 WeakPolarHBondContact CA-OE1 3.36Å
305	T	98.6	Very high	98.3	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.043	34%	0.34	C	S	.	.			trans	-98.3	-1.9	-173.9	58.8	0	0	0	0	114.2	C282 R284 V285 G307 S308 E313 L316	C282-T305 HydrophobicContact CB-CG2 4.07Å; R284-T305 CarbonylContact O-C 3.57Å; R284-T305 VanDerWaalsContact O-C 3.3Å; R284-T305 VanDerWaalsContact O-CA 3.31Å; R284-T305 WeakPolarHBondContact O-CA 3.41Å; V285-T305 HydrophobicContact CG2-CG2 4.27Å; T305-G307 PolarHBondContact O-N 3.47Å; T305-G307 VanDerWaalsContact O-N 3.12Å; T305-S308 VanDerWaalsContact O-CB 3.31Å; T305-S308 WeakPolarHBondContact O-CB 3.38Å; T305-S308 PolarHBondContact O-N 2.95Å; T305-S308 PolarHBondContact O-OG 3.26Å; T305-E313 HydrophobicContact CG2-CG 4.18Å; T305-E313 PolarHBondContact N-OE1 3.48Å; T305-E313 PolarHBondContact OG1-OE1 3.14Å; T305-L316 HydrophobicContact CG2-CD1 3.34Å
306	Y	98.5	Very high	98.3	Very high	82 Å²	82	58.5 Å²	58.5	32%	0.322	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.2	-177.1	-53.2	-86.3	0	0	0	113.7	Y112 G164 R284 L286 S308	Y112-Y306 HydrophobicContact CE2-CE2 4.13Å; G164-Y306 WeakPolarHBondContact CA-O 3.35Å; R284-Y306 HydrophobicContact CB-CD2 4.14Å; R284-Y306 HydrophobicContact CG-CD2 3.91Å; R284-Y306 HydrophobicContact CG-CE2 4.16Å; R284-Y306 VanDerWaalsContact NE-CD2 3.32Å; L286-Y306 HydrophobicContact CB-CE2 4.06Å; Y306-S308 VanDerWaalsContact C-N 3.29Å; Y306-S308 PolarHBondContact O-N 2.87Å
307	G	97.9	Very high	98.3	Very high	61 Å²	61	60.1 Å²	60.1	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	12.6	-175.5	0	0	0	0	0	114.5	T305 S309	T305-G307 PolarHBondContact O-N 3.47Å; T305-G307 VanDerWaalsContact O-N 3.12Å; G307-S309 VanDerWaalsContact C-N 3.33Å
308	S	98.3	Very high	98.3	Very high	15 Å²	15	61.8 Å²	61.8	11%	0.105	33%	0.333	C	S	.	.			trans	-91.8	13.5	-177.4	75	0	0	0	0	114.8	D163 C282 R283 R284 T305 Y306	D163-S308 WeakPolarHBondContact O-CA 3.25Å; C282-S308 WeakPolarHBondContact CA-O 3.31Å; R283-S308 PolarHBondContact N-O 3.3Å; R283-S308 PolarHBondContact N-OG 3.36Å; R283-S308 VanDerWaalsContact N-OG 3.12Å; R284-S308 PolarHBondContact N-OG 2.69Å; R284-S308 PolarHBondContact O-OG 2.97Å; R284-S308 VanDerWaalsContact O-OG 3.06Å; T305-S308 VanDerWaalsContact O-CB 3.31Å; T305-S308 WeakPolarHBondContact O-CB 3.38Å; T305-S308 PolarHBondContact O-N 2.95Å; T305-S308 PolarHBondContact O-OG 3.26Å; Y306-S308 VanDerWaalsContact C-N 3.29Å; Y306-S308 PolarHBondContact O-N 2.87Å
309	S	98.3	Very high	98.3	Very high	24 Å²	24	61.1 Å²	61.1	17%	0.168	33%	0.328	C	S	.	.			trans	-124.1	145.1	-178.3	170.9	0	0	0	0	110.3	L281 G307 K311	L281-S309 VanDerWaalsContact O-CB 3.32Å; L281-S309 WeakPolarHBondContact O-CB 3.46Å; L281-S309 PolarHBondContact O-OG 2.84Å; L281-S309 VanDerWaalsContact O-OG 3.05Å; G307-S309 VanDerWaalsContact C-N 3.33Å; S309-K311 WeakPolarHBondContact CB-O 3.49Å; S309-K311 PolarHBondContact OG-N 3.41Å; S309-K311 PolarHBondContact OG-O 3.12Å
310	Q	97.4	Very high	98.3	Very high	206 Å²	206	55.9 Å²	55.9	96%	0.963	30%	0.301	S	S	*	.	S	Bend	trans	-80.9	-26.7	167.8	-66.9	-176.2	-8.5	0	0	112.5
311	K	98.3	Very high	98.3	Very high	68 Å²	68	58.1 Å²	58.1	30%	0.296	31%	0.31	S	S	.	.	S	Bend	trans	-82	144.3	172.9	-69.1	-178.6	-178.5	-73.5	0	110	L281 S309 E315 L316 I319	L281-K311 HydrophobicContact CD2-CD 4.1Å; S309-K311 WeakPolarHBondContact CB-O 3.49Å; S309-K311 PolarHBondContact OG-N 3.41Å; S309-K311 PolarHBondContact OG-O 3.12Å; K311-E315 HydrophobicContact CB-CB 4.22Å; K311-L316 HydrophobicContact CB-CD2 3.97Å; K311-L316 HydrophobicContact CB-CG 4.1Å; K311-L316 HydrophobicContact CD-CD2 4.06Å; K311-I319 HydrophobicContact CD-CD1 3.9Å
312	S	98.4	Very high	98.3	Very high	56 Å²	56	63.3 Å²	63.3	39%	0.392	33%	0.331	S	S	.	.			trans	-64.7	155.6	171.1	65.3	0	0	0	0	111.5	S314 E315 L316	S312-S314 PolarHBondContact O-N 2.97Å; S312-E315 WeakPolarHBondContact CB-OE2 3.3Å; S312-E315 PolarHBondContact N-OE2 3.45Å; S312-E315 PolarHBondContact O-N 3.21Å; S312-E315 VanDerWaalsContact O-N 3.08Å; S312-E315 VanDerWaalsContact OG-CG 3.29Å; S312-E315 WeakPolarHBondContact OG-CG 3.2Å; S312-E315 PolarHBondContact OG-N 2.76Å; S312-E315 PolarHBondContact OG-OE2 2.61Å; S312-L316 PolarHBondContact O-N 2.92Å
313	E	98.6	Very high	98.3	Very high	79 Å²	79	62.3 Å²	62.3	37%	0.369	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-30.4	176.6	-71.2	165.4	166.8	0	0	112	L303 F304 T305 L316 L317	L303-E313 WeakPolarHBondContact O-CG 3.4Å; F304-E313 VanDerWaalsContact CA-OE1 3.3Å; F304-E313 WeakPolarHBondContact CA-OE1 3.36Å; T305-E313 HydrophobicContact CG2-CG 4.18Å; T305-E313 PolarHBondContact N-OE1 3.48Å; T305-E313 PolarHBondContact OG1-OE1 3.14Å; E313-L316 PolarHBondContact O-N 2.8Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 PolarHBondContact O-N 3.1Å
314	S	98.3	Very high	98.5	Very high	74 Å²	74	62.5 Å²	62.5	52%	0.517	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-42.6	172.8	-177.3	0	0	0	0	112.7	S312 L317 K318	S312-S314 PolarHBondContact O-N 2.97Å; S314-L317 PolarHBondContact O-N 3.43Å; S314-K318 WeakPolarHBondContact O-CG 3.18Å; S314-K318 PolarHBondContact O-N 3.13Å; S314-K318 VanDerWaalsContact O-N 3.17Å
315	E	98.6	Very high	98.5	Very high	85 Å²	85	61 Å²	61	40%	0.397	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-43.6	174.5	-72.6	166	100.8	0	0	111.5	K311 S312 L317 K318 I319	K311-E315 HydrophobicContact CB-CB 4.22Å; S312-E315 WeakPolarHBondContact CB-OE2 3.3Å; S312-E315 PolarHBondContact N-OE2 3.45Å; S312-E315 PolarHBondContact O-N 3.21Å; S312-E315 VanDerWaalsContact O-N 3.08Å; S312-E315 VanDerWaalsContact OG-CG 3.29Å; S312-E315 WeakPolarHBondContact OG-CG 3.2Å; S312-E315 PolarHBondContact OG-N 2.76Å; S312-E315 PolarHBondContact OG-OE2 2.61Å; E315-L317 VanDerWaalsContact C-N 3.27Å; E315-L317 PolarHBondContact O-N 2.61Å; E315-K318 WeakPolarHBondContact O-CB 3.41Å; E315-K318 PolarHBondContact O-N 2.99Å; E315-I319 WeakPolarHBondContact O-CG1 3.25Å; E315-I319 PolarHBondContact O-N 2.77Å; E315-I319 VanDerWaalsContact O-N 3.11Å
316	L	98.8	Very high	98.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-36.3	176.2	-65.6	178.7	0	0	0	111.8	L281 L303 T305 K311 S312 E313 K318 I319 V320	L281-L316 HydrophobicContact CB-CD2 3.93Å; L281-L316 HydrophobicContact CD1-CD2 4.15Å; L281-L316 HydrophobicContact CG-CD2 4.45Å; L303-L316 HydrophobicContact CD1-CB 3.84Å; T305-L316 HydrophobicContact CG2-CD1 3.34Å; K311-L316 HydrophobicContact CB-CD2 3.97Å; K311-L316 HydrophobicContact CB-CG 4.1Å; K311-L316 HydrophobicContact CD-CD2 4.06Å; S312-L316 PolarHBondContact O-N 2.92Å; E313-L316 PolarHBondContact O-N 2.8Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 2.77Å; L316-I319 HydrophobicContact CD2-CD1 4.22Å; L316-I319 WeakPolarHBondContact O-CB 3.41Å; L316-I319 PolarHBondContact O-N 3.4Å; L316-V320 WeakPolarHBondContact O-CG2 3.14Å; L316-V320 PolarHBondContact O-N 2.86Å
317	L	98.7	Very high	98.5	Very high	47 Å²	47	59 Å²	59	25%	0.246	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-38.4	176.7	-176.2	60.6	0	0	0	111.8	I301 L303 E313 S314 E315 I319 V320 N321	I301-L317 HydrophobicContact CB-CD1 3.95Å; I301-L317 HydrophobicContact CG2-CD1 3.57Å; L303-L317 VanDerWaalsContact CD1-CA 3.49Å; L303-L317 HydrophobicContact CD1-CB 3.96Å; L303-L317 HydrophobicContact CD1-CD1 4.23Å; L303-L317 HydrophobicContact CG-CD1 4.45Å; E313-L317 WeakPolarHBondContact O-CB 3.34Å; E313-L317 PolarHBondContact O-N 3.1Å; S314-L317 PolarHBondContact O-N 3.43Å; E315-L317 VanDerWaalsContact C-N 3.27Å; E315-L317 PolarHBondContact O-N 2.61Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 PolarHBondContact O-N 2.78Å; L317-V320 PolarHBondContact O-N 3.46Å; L317-N321 WeakPolarHBondContact O-CB 3.27Å; L317-N321 VanDerWaalsContact O-CG 3.31Å; L317-N321 PolarHBondContact O-N 2.74Å; L317-N321 PolarHBondContact O-ND2 2.69Å
318	K	98.6	Very high	98.5	Very high	144 Å²	144	56 Å²	56	63%	0.626	28%	0.28	S	S	*	.	H	α-helix	trans	-62.1	-40.7	172.5	-67.6	174.2	-173.6	177.7	0	111.6	S314 E315 L316 N321 K322	S314-K318 WeakPolarHBondContact O-CG 3.18Å; S314-K318 PolarHBondContact O-N 3.13Å; S314-K318 VanDerWaalsContact O-N 3.17Å; E315-K318 WeakPolarHBondContact O-CB 3.41Å; E315-K318 PolarHBondContact O-N 2.99Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 2.77Å; K318-N321 PolarHBondContact O-N 2.83Å; K318-K322 WeakPolarHBondContact O-CB 3.39Å; K318-K322 PolarHBondContact O-N 2.7Å
319	I	98.8	Very high	98.6	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-46.9	175	-63.8	171.2	0	0	0	110	L281 K311 E315 L316 L317 K322 N323 L364 Y366	L281-I319 HydrophobicContact CD1-CD1 4.22Å; L281-I319 HydrophobicContact CD1-CG2 4.38Å; K311-I319 HydrophobicContact CD-CD1 3.9Å; E315-I319 WeakPolarHBondContact O-CG1 3.25Å; E315-I319 PolarHBondContact O-N 2.77Å; E315-I319 VanDerWaalsContact O-N 3.11Å; L316-I319 HydrophobicContact CD2-CD1 4.22Å; L316-I319 WeakPolarHBondContact O-CB 3.41Å; L316-I319 PolarHBondContact O-N 3.4Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 PolarHBondContact O-N 2.78Å; I319-K322 PolarHBondContact O-N 3.43Å; I319-N323 WeakPolarHBondContact O-CB 3.37Å; I319-N323 PolarHBondContact O-N 2.66Å; I319-N323 VanDerWaalsContact O-N 3.14Å; I319-N323 PolarHBondContact O-ND2 3.38Å; I319-L364 HydrophobicContact CG2-CB 4.45Å; I319-L364 HydrophobicContact CG2-CD1 4.37Å; I319-Y366 VanDerWaalsContact CD1-CB 3.44Å; I319-Y366 HydrophobicContact CD1-CD2 4.39Å; I319-Y366 HydrophobicContact CD1-CG 3.9Å; I319-Y366 HydrophobicContact CG1-CG 4.45Å; I319-Y366 HydrophobicContact CG2-CD1 4.26Å; I319-Y366 HydrophobicContact CG2-CG 4.47Å
320	V	98.7	Very high	98.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-50.6	177.6	170.9	0	0	0	0	110.8	V272 L276 L303 L316 L317 K322 N323 F324	V272-V320 HydrophobicContact CG1-CB 4.47Å; V272-V320 HydrophobicContact CG1-CG1 3.92Å; V272-V320 HydrophobicContact CG1-CG2 3.66Å; V272-V320 HydrophobicContact CG2-CG1 4.48Å; L276-V320 HydrophobicContact CD1-CG2 4.06Å; L276-V320 HydrophobicContact CD2-CG2 4.21Å; L276-V320 HydrophobicContact CG-CG2 4.47Å; L303-V320 HydrophobicContact CD1-CB 4.46Å; L303-V320 HydrophobicContact CD1-CG2 3.82Å; L303-V320 HydrophobicContact CD2-CG2 4.38Å; L316-V320 WeakPolarHBondContact O-CG2 3.14Å; L316-V320 PolarHBondContact O-N 2.86Å; L317-V320 PolarHBondContact O-N 3.46Å; V320-K322 PolarHBondContact O-N 2.91Å; V320-N323 PolarHBondContact O-N 2.85Å; V320-F324 HydrophobicContact CB-CD2 4.49Å; V320-F324 HydrophobicContact CG1-CD2 4.1Å; V320-F324 WeakPolarHBondContact O-CD2 3.38Å; V320-F324 PolarHBondContact O-N 3.48Å
321	N	98.3	Very high	98.7	Very high	91 Å²	91	44.8 Å²	44.8	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-28.9	-179.2	-70.6	-18.8	0	0	0	113.5	L317 K318	L317-N321 WeakPolarHBondContact O-CB 3.27Å; L317-N321 VanDerWaalsContact O-CG 3.31Å; L317-N321 PolarHBondContact O-N 2.74Å; L317-N321 PolarHBondContact O-ND2 2.69Å; K318-N321 PolarHBondContact O-N 2.83Å
322	K	98.5	Very high	98.7	Very high	144 Å²	144	41.7 Å²	41.7	63%	0.626	21%	0.211	S	C	*	.	H	α-helix	trans	-75.5	-29	175.3	-175.9	178.1	176.6	-173.8	0	112.8	K318 I319 V320	K318-K322 WeakPolarHBondContact O-CB 3.39Å; K318-K322 PolarHBondContact O-N 2.7Å; I319-K322 PolarHBondContact O-N 3.43Å; V320-K322 PolarHBondContact O-N 2.91Å
323	N	98.8	Very high	98.7	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-106.9	-18.6	-169.7	-72.6	-85.4	0	0	0	113.7	I319 V320 K362 L364 V365	I319-N323 WeakPolarHBondContact O-CB 3.37Å; I319-N323 PolarHBondContact O-N 2.66Å; I319-N323 VanDerWaalsContact O-N 3.14Å; I319-N323 PolarHBondContact O-ND2 3.38Å; V320-N323 PolarHBondContact O-N 2.85Å; N323-K362 VanDerWaalsContact O-CE 3.3Å; N323-K362 WeakPolarHBondContact O-CE 3.3Å; N323-K362 PolarHBondContact O-NZ 2.68Å; N323-L364 HydrophobicContact CB-CD2 3.93Å; N323-V365 PolarHBondContact ND2-O 2.99Å; N323-V365 PolarHBondContact OD1-N 3.44Å
324	F	98.8	Very high	98.7	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.057	21%	0.211	C	C	.	.			trans	-129.6	128.9	-175.3	-61	-88.2	0	0	0	111.3	W271 V272 V320 L326 K362 L364	W271-F324 HydrophobicContact CD2-CD1 4.28Å; W271-F324 AromaticContact CD2-CE1 3.69Å; W271-F324 HydrophobicContact CD2-CE1 3.69Å; W271-F324 AromaticContact CE2-CE1 3.94Å; W271-F324 AromaticContact CE3-CD1 3.57Å; W271-F324 HydrophobicContact CE3-CD1 3.57Å; W271-F324 AromaticContact CE3-CE1 3.47Å; W271-F324 HydrophobicContact CE3-CE1 3.47Å; W271-F324 VanDerWaalsContact CE3-CE1 3.47Å; W271-F324 HydrophobicContact CG-CE1 4.49Å; W271-F324 AromaticContact CH2-CD1 4Å; W271-F324 HydrophobicContact CH2-CD1 4Å; W271-F324 AromaticContact CH2-CE1 3.88Å; W271-F324 HydrophobicContact CH2-CE1 3.88Å; W271-F324 HydrophobicContact CZ2-CE1 4.04Å; W271-F324 AromaticContact CZ3-CD1 3.42Å; W271-F324 HydrophobicContact CZ3-CD1 3.42Å; W271-F324 VanDerWaalsContact CZ3-CD1 3.42Å; W271-F324 AromaticContact CZ3-CE1 3.58Å; W271-F324 HydrophobicContact CZ3-CE1 3.58Å; V272-F324 HydrophobicContact CG1-CE2 4.4Å; V272-F324 HydrophobicContact CG2-CB 4.31Å; V272-F324 HydrophobicContact CG2-CD1 3.71Å; V272-F324 HydrophobicContact CG2-CD2 3.9Å; V272-F324 HydrophobicContact CG2-CE1 3.91Å; V272-F324 HydrophobicContact CG2-CE2 4.08Å; V272-F324 HydrophobicContact CG2-CG 3.71Å; V272-F324 HydrophobicContact CG2-CZ 4.08Å; V320-F324 HydrophobicContact CB-CD2 4.49Å; V320-F324 HydrophobicContact CG1-CD2 4.1Å; V320-F324 WeakPolarHBondContact O-CD2 3.38Å; V320-F324 PolarHBondContact O-N 3.48Å; F324-L326 HydrophobicContact CB-CD2 3.97Å; F324-L326 HydrophobicContact CB-CG 4.34Å; F324-K362 HydrophobicContact CD1-CD 4.08Å; F324-K362 HydrophobicContact CE1-CB 3.91Å; F324-K362 HydrophobicContact CE1-CD 3.63Å; F324-K362 HydrophobicContact CE1-CG 4.4Å; F324-K362 HydrophobicContact CZ-CB 3.84Å; F324-K362 HydrophobicContact CZ-CD 3.97Å; F324-K362 HydrophobicContact CZ-CG 4.48Å; F324-L364 HydrophobicContact CE2-CD2 3.45Å; F324-L364 VanDerWaalsContact CE2-CD2 3.45Å; F324-L364 HydrophobicContact CZ-CD2 3.65Å
325	D	98.8	Very high	98.7	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	19%	0.187	S	C	.	.			trans	-102.7	114.3	164.2	-174.6	-21.6	0	0	0	107.8	R327 V330	D325-R327 WeakPolarHBondContact OD1-CB 3.49Å; D325-R327 VanDerWaalsContact OD1-CG 3.31Å; D325-R327 WeakPolarHBondContact OD1-CG 3.49Å; D325-R327 PolarHBondContact OD1-N 3.18Å; D325-R327 IonicContact OD1-NE 3.87Å; D325-R327 PolarHBondContact OD1-NE 3.39Å; D325-R327 VanDerWaalsContact OD1-NE 3.16Å; D325-R327 IonicContact OD2-CZ 2.71Å; D325-R327 VanDerWaalsContact OD2-CZ 3.28Å; D325-R327 IonicContact OD2-NE 2.69Å; D325-R327 PolarHBondContact OD2-NE 3.16Å; D325-R327 IonicContact OD2-NH2 2.77Å; D325-R327 PolarHBondContact OD2-NH2 3.38Å; D325-V330 HydrophobicContact CB-CB 4.26Å; D325-V330 HydrophobicContact CB-CG1 3.82Å; D325-V330 HydrophobicContact CB-CG2 4.44Å
326	L	98.8	Very high	98.7	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	19%	0.191	C	C	.	.			trans	-96.9	15.9	-173.4	-57.2	-177.7	0	0	0	112.4	A268 V272 V289 Y291 P298 I301 F324 I331	A268-L326 HydrophobicContact CB-CD2 4.06Å; V272-L326 HydrophobicContact CG2-CD2 4.29Å; V289-L326 HydrophobicContact CG1-CD1 3.78Å; Y291-L326 PolarHBondContact OH-O 3.49Å; P298-L326 HydrophobicContact CG-CB 3.78Å; I301-L326 HydrophobicContact CD1-CD1 3.93Å; I301-L326 HydrophobicContact CG1-CD1 4.46Å; F324-L326 HydrophobicContact CB-CD2 3.97Å; F324-L326 HydrophobicContact CB-CG 4.34Å; L326-I331 HydrophobicContact CB-CD1 4.37Å; L326-I331 WeakPolarHBondContact O-CD1 3.38Å
327	R	98.9	Very high	98.7	Very high	37 Å²	37	41.4 Å²	41.4	14%	0.14	19%	0.192	C	C	.	.			trans	-61.7	136.5	167.4	-70.3	-179.8	-72.1	161.1	4.1	110	E99 D100 A296 H297 D325 G329 V330 I331	E99-R327 PolarHBondContact O-NH1 2.88Å; D100-R327 IonicContact OD1-NH1 2.69Å; D100-R327 PolarHBondContact OD1-NH1 3.27Å; A296-R327 HydrophobicContact CB-CG 4.08Å; A296-R327 WeakPolarHBondContact O-CA 3.36Å; H297-R327 VanDerWaalsContact CE1-CD 3.45Å; H297-R327 WeakPolarHBondContact CE1-CD 3.46Å; D325-R327 WeakPolarHBondContact OD1-CB 3.49Å; D325-R327 VanDerWaalsContact OD1-CG 3.31Å; D325-R327 WeakPolarHBondContact OD1-CG 3.49Å; D325-R327 PolarHBondContact OD1-N 3.18Å; D325-R327 IonicContact OD1-NE 3.87Å; D325-R327 PolarHBondContact OD1-NE 3.39Å; D325-R327 VanDerWaalsContact OD1-NE 3.16Å; D325-R327 IonicContact OD2-CZ 2.71Å; D325-R327 VanDerWaalsContact OD2-CZ 3.28Å; D325-R327 IonicContact OD2-NE 2.69Å; D325-R327 PolarHBondContact OD2-NE 3.16Å; D325-R327 IonicContact OD2-NH2 2.77Å; D325-R327 PolarHBondContact OD2-NH2 3.38Å; R327-G329 PolarHBondContact O-N 2.95Å; R327-G329 VanDerWaalsContact O-N 3.13Å; R327-V330 HydrophobicContact CB-CB 4.45Å; R327-V330 HydrophobicContact CB-CG2 4.22Å; R327-V330 PolarHBondContact O-N 2.95Å; R327-I331 WeakPolarHBondContact O-CG1 3.46Å; R327-I331 PolarHBondContact O-N 3.29Å
328	P	98.8	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-54.7	-36.5	-179.6	-26.4	33.7	0	0	0	113.3	I101 V261 Y291 A296 V330 I331 V332	I101-P328 HydrophobicContact CD1-CB 4.33Å; I101-P328 HydrophobicContact CG1-CB 4.34Å; V261-P328 HydrophobicContact CG1-CB 4.41Å; V261-P328 HydrophobicContact CG1-CG 3.62Å; Y291-P328 HydrophobicContact CE1-CG 4.46Å; A296-P328 WeakPolarHBondContact O-CD 3.42Å; P328-V330 VanDerWaalsContact C-N 3.28Å; P328-V330 PolarHBondContact O-N 2.88Å; P328-I331 PolarHBondContact O-N 2.85Å; P328-V332 WeakPolarHBondContact O-CG1 3.5Å; P328-V332 PolarHBondContact O-N 3.48Å
329	G	98.6	Very high	98.7	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-23.1	174.9	0	0	0	0	0	115.6	E98 R327 V332	E98-G329 WeakPolarHBondContact O-CA 3.49Å; R327-G329 PolarHBondContact O-N 2.95Å; R327-G329 VanDerWaalsContact O-N 3.13Å; G329-V332 WeakPolarHBondContact O-CG1 3.31Å
330	V	98.9	Very high	98.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-93	-40	174.1	177.1	0	0	0	0	110.7	D325 R327 P328 V332 R333 D334	D325-V330 HydrophobicContact CB-CB 4.26Å; D325-V330 HydrophobicContact CB-CG1 3.82Å; D325-V330 HydrophobicContact CB-CG2 4.44Å; R327-V330 HydrophobicContact CB-CB 4.45Å; R327-V330 HydrophobicContact CB-CG2 4.22Å; R327-V330 PolarHBondContact O-N 2.95Å; P328-V330 VanDerWaalsContact C-N 3.28Å; P328-V330 PolarHBondContact O-N 2.88Å; V330-V332 VanDerWaalsContact C-N 3.27Å; V330-V332 PolarHBondContact O-N 3.42Å; V330-R333 VanDerWaalsContact CG1-NH2 3.34Å; V330-R333 WeakPolarHBondContact O-CB 3.44Å; V330-R333 PolarHBondContact O-N 2.9Å; V330-R333 VanDerWaalsContact O-N 3.12Å; V330-D334 PolarHBondContact O-N 3.06Å
331	I	98.9	Very high	98.7	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-43.5	175.5	-67.4	169	0	0	0	111	A268 L326 R327 P328 R333 D334 L335 L337	A268-I331 HydrophobicContact CB-CD1 3.69Å; A268-I331 HydrophobicContact CB-CG1 3.9Å; A268-I331 HydrophobicContact CB-CG2 4.01Å; L326-I331 HydrophobicContact CB-CD1 4.37Å; L326-I331 WeakPolarHBondContact O-CD1 3.38Å; R327-I331 WeakPolarHBondContact O-CG1 3.46Å; R327-I331 PolarHBondContact O-N 3.29Å; P328-I331 PolarHBondContact O-N 2.85Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 2.85Å; I331-D334 PolarHBondContact O-N 3.32Å; I331-L335 HydrophobicContact CG2-CD1 3.83Å; I331-L335 HydrophobicContact CG2-CG 4.31Å; I331-L335 WeakPolarHBondContact O-CB 3.44Å; I331-L335 PolarHBondContact O-N 2.88Å; I331-L337 HydrophobicContact CG2-CD1 3.8Å
332	V	98.8	Very high	98.7	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-38.5	179.4	60.5	0	0	0	0	113	F258 P328 G329 V330 Q336 L337 K338	F258-V332 HydrophobicContact CB-CB 4.27Å; F258-V332 HydrophobicContact CB-CG2 4.11Å; F258-V332 HydrophobicContact CD1-CB 4.38Å; F258-V332 HydrophobicContact CD1-CG2 3.72Å; F258-V332 HydrophobicContact CD2-CB 3.35Å; F258-V332 HydrophobicContact CD2-CG1 3.85Å; F258-V332 HydrophobicContact CD2-CG2 3.65Å; F258-V332 HydrophobicContact CE1-CG2 3.97Å; F258-V332 HydrophobicContact CE2-CB 3.59Å; F258-V332 HydrophobicContact CE2-CG1 3.52Å; F258-V332 HydrophobicContact CE2-CG2 3.84Å; F258-V332 HydrophobicContact CG-CB 3.75Å; F258-V332 HydrophobicContact CG-CG2 3.54Å; F258-V332 HydrophobicContact CZ-CB 4.24Å; F258-V332 HydrophobicContact CZ-CG1 4.09Å; F258-V332 HydrophobicContact CZ-CG2 4.01Å; P328-V332 WeakPolarHBondContact O-CG1 3.5Å; P328-V332 PolarHBondContact O-N 3.48Å; G329-V332 WeakPolarHBondContact O-CG1 3.31Å; V330-V332 VanDerWaalsContact C-N 3.27Å; V330-V332 PolarHBondContact O-N 3.42Å; V332-Q336 CarbonylContact O-C 3.55Å; V332-Q336 WeakPolarHBondContact O-CA 3.39Å; V332-Q336 PolarHBondContact O-N 2.96Å; V332-L337 HydrophobicContact CB-CB 4.4Å; V332-L337 HydrophobicContact CG2-CB 4.05Å; V332-L337 PolarHBondContact O-N 2.89Å; V332-K338 HydrophobicContact CG2-CD 4.31Å; V332-K338 HydrophobicContact CG2-CG 3.65Å
333	R	98.7	Very high	98.7	Very high	131 Å²	131	33.4 Å²	33.4	49%	0.494	15%	0.154	S	C	.	.	H	α-helix	trans	-69.9	-53.9	177.1	-179.8	-169.2	67.9	-157.8	1.6	110.3	E99 V330 I331 L335 Q336	E99-R333 IonicContact OE1-NH1 3.03Å; E99-R333 PolarHBondContact OE1-NH1 3.32Å; E99-R333 VanDerWaalsContact OE1-NH1 3.08Å; V330-R333 VanDerWaalsContact CG1-NH2 3.34Å; V330-R333 WeakPolarHBondContact O-CB 3.44Å; V330-R333 PolarHBondContact O-N 2.9Å; V330-R333 VanDerWaalsContact O-N 3.12Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 2.85Å; R333-L335 VanDerWaalsContact C-N 3.3Å; R333-L335 PolarHBondContact O-N 2.87Å; R333-Q336 PolarHBondContact O-N 2.83Å
334	D	98.8	Very high	98.7	Very high	50 Å²	50	37.7 Å²	37.7	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-64.4	-36.2	-173.6	-73.2	13.9	0	0	0	111.6	W271 V330 I331	W271-D334 HydrophobicContact CH2-CB 4.22Å; W271-D334 HydrophobicContact CZ3-CB 4.33Å; V330-D334 PolarHBondContact O-N 3.06Å; I331-D334 PolarHBondContact O-N 3.32Å
335	L	98.8	Very high	98.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-100.9	0.2	180	-58.3	-174.8	0	0	0	114	A268 W271 I331 R333 L337 S357 W358	A268-L335 HydrophobicContact CB-CD1 4.39Å; W271-L335 HydrophobicContact CD2-CD2 3.98Å; W271-L335 HydrophobicContact CE3-CD2 4.07Å; W271-L335 HydrophobicContact CG-CD2 4.23Å; W271-L335 HydrophobicContact CZ3-CD2 4.49Å; I331-L335 HydrophobicContact CG2-CD1 3.83Å; I331-L335 HydrophobicContact CG2-CG 4.31Å; I331-L335 WeakPolarHBondContact O-CB 3.44Å; I331-L335 PolarHBondContact O-N 2.88Å; R333-L335 VanDerWaalsContact C-N 3.3Å; R333-L335 PolarHBondContact O-N 2.87Å; L335-L337 HydrophobicContact CB-CD1 4.29Å; L335-L337 HydrophobicContact CB-CD2 3.76Å; L335-L337 HydrophobicContact CB-CG 3.77Å; L335-L337 PolarHBondContact O-N 2.99Å; L335-S357 WeakPolarHBondContact O-CB 3.44Å; L335-S357 PolarHBondContact O-OG 3.48Å; L335-W358 HydrophobicContact CD1-CB 4.15Å; L335-W358 HydrophobicContact CD2-CB 4.21Å
336	Q	98.6	Very high	98.7	Very high	102 Å²	102	34.5 Å²	34.5	48%	0.477	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	49.7	179.9	-54.8	178.8	5.7	0	0	113.2	V332 R333 K338 R339	V332-Q336 CarbonylContact O-C 3.55Å; V332-Q336 WeakPolarHBondContact O-CA 3.39Å; V332-Q336 PolarHBondContact O-N 2.96Å; R333-Q336 PolarHBondContact O-N 2.83Å; Q336-K338 VanDerWaalsContact C-N 3.26Å; Q336-K338 PolarHBondContact O-N 3.06Å; Q336-R339 HydrophobicContact CB-CG 4.17Å; Q336-R339 VanDerWaalsContact CB-NE 3.34Å; Q336-R339 WeakPolarHBondContact O-CB 3.3Å; Q336-R339 WeakPolarHBondContact O-CG 3.42Å; Q336-R339 PolarHBondContact O-N 3.3Å; Q336-R339 PolarHBondContact O-NE 2.84Å; Q336-R339 VanDerWaalsContact OE1-NE 3.15Å; Q336-R339 VanDerWaalsContact OE1-NH1 3.11Å
337	L	98.8	Very high	98.6	Very high	3 Å²	3	35 Å²	35	2%	0.016	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.1	-171	-60	-176	0	0	0	114.7	F258 Y267 I331 V332 L335 Y342 W358	F258-L337 HydrophobicContact CB-CB 3.7Å; F258-L337 HydrophobicContact CB-CD1 4.21Å; Y267-L337 HydrophobicContact CD2-CD2 4.05Å; I331-L337 HydrophobicContact CG2-CD1 3.8Å; V332-L337 HydrophobicContact CB-CB 4.4Å; V332-L337 HydrophobicContact CG2-CB 4.05Å; V332-L337 PolarHBondContact O-N 2.89Å; L335-L337 HydrophobicContact CB-CD1 4.29Å; L335-L337 HydrophobicContact CB-CD2 3.76Å; L335-L337 HydrophobicContact CB-CG 3.77Å; L335-L337 PolarHBondContact O-N 2.99Å; L337-Y342 VanDerWaalsContact C-OH 3.28Å; L337-Y342 WeakPolarHBondContact CA-OH 2.72Å; L337-Y342 VanDerWaalsContact CB-OH 3.3Å; L337-Y342 WeakPolarHBondContact CB-OH 3.46Å; L337-Y342 PolarHBondContact O-OH 3.14Å; L337-W358 HydrophobicContact CD2-CE3 4.27Å; L337-W358 HydrophobicContact CD2-CZ3 4Å
338	K	98.8	Very high	98.6	Very high	43 Å²	43	36.8 Å²	36.8	19%	0.187	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5	167.2	-59.9	-176.2	-179.5	-175.6	0	112.8	P21 D22 E98 F258 V332 Q336	P21-K338 HydrophobicContact CB-CB 4.11Å; P21-K338 HydrophobicContact CB-CD 4.12Å; P21-K338 WeakPolarHBondContact O-CD 3.31Å; P21-K338 WeakPolarHBondContact O-CG 3.49Å; D22-K338 WeakPolarHBondContact OD1-CE 3.27Å; D22-K338 IonicContact OD1-NZ 2.81Å; D22-K338 PolarHBondContact OD1-NZ 2.78Å; E98-K338 IonicContact OE1-NZ 2.73Å; E98-K338 PolarHBondContact OE1-NZ 3.45Å; E98-K338 VanDerWaalsContact OE1-NZ 3.13Å; E98-K338 IonicContact OE2-NZ 3.28Å; E98-K338 PolarHBondContact OE2-NZ 2.87Å; F258-K338 HydrophobicContact CD1-CG 4.25Å; F258-K338 HydrophobicContact CE1-CG 4.27Å; V332-K338 HydrophobicContact CG2-CD 4.31Å; V332-K338 HydrophobicContact CG2-CG 3.65Å; Q336-K338 VanDerWaalsContact C-N 3.26Å; Q336-K338 PolarHBondContact O-N 3.06Å
339	R	98.5	Very high	98.6	Very high	91 Å²	91	36.9 Å²	36.9	34%	0.343	17%	0.17	S	C	.	.	S	Bend	trans	-72	137.1	178.9	-65.8	-173.1	-59.3	168.9	0.5	110.8	Q336 I341 Y342	Q336-R339 HydrophobicContact CB-CG 4.17Å; Q336-R339 VanDerWaalsContact CB-NE 3.34Å; Q336-R339 WeakPolarHBondContact O-CB 3.3Å; Q336-R339 WeakPolarHBondContact O-CG 3.42Å; Q336-R339 PolarHBondContact O-N 3.3Å; Q336-R339 PolarHBondContact O-NE 2.84Å; Q336-R339 VanDerWaalsContact OE1-NE 3.15Å; Q336-R339 VanDerWaalsContact OE1-NH1 3.11Å; R339-I341 VanDerWaalsContact C-N 3.28Å; R339-I341 HydrophobicContact CB-CG1 4.38Å; R339-I341 HydrophobicContact CB-CG2 4.17Å; R339-I341 PolarHBondContact O-N 3.04Å; R339-Y342 WeakPolarHBondContact O-CE2 3.45Å
340	P	98.6	Very high	98.6	Very high	51 Å²	51	36.8 Å²	36.8	33%	0.331	17%	0.169	S	C	.	.	S	Bend	trans	-79.6	72.9	178.7	33	-35.7	0	0	0	111.3	D14 L17 R18	D14-P340 HydrophobicContact CB-CB 3.96Å; D14-P340 VanDerWaalsContact CG-C 3.48Å; D14-P340 WeakPolarHBondContact O-CB 3.27Å; D14-P340 WeakPolarHBondContact OD1-CA 3.42Å; L17-P340 HydrophobicContact CB-CB 4.16Å; R18-P340 HydrophobicContact CG-CB 3.76Å; R18-P340 HydrophobicContact CG-CG 3.65Å
341	I	98.6	Very high	98.6	Very high	30 Å²	30	37 Å²	37	15%	0.154	17%	0.169	C	C	.	.			trans	-120.4	3.6	-178	60	166.3	0	0	0	113.1	D14 R339 Q343 Q344 F356	D14-I341 PolarHBondContact OD1-N 3.17Å; D14-I341 VanDerWaalsContact OD1-N 3.1Å; R339-I341 VanDerWaalsContact C-N 3.28Å; R339-I341 HydrophobicContact CB-CG1 4.38Å; R339-I341 HydrophobicContact CB-CG2 4.17Å; R339-I341 PolarHBondContact O-N 3.04Å; I341-Q343 PolarHBondContact O-N 3.23Å; I341-Q344 WeakPolarHBondContact O-CB 3.19Å; I341-Q344 PolarHBondContact O-N 2.88Å; I341-F356 HydrophobicContact CD1-CD1 4.16Å
342	Y	98.9	Very high	98.6	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-72.6	-33.4	-165.2	-68.7	-75.9	0	0	0	113.3	L13 D14 L17 Y267 L337 R339 Q344 T345 A346	L13-Y342 HydrophobicContact CD2-CD1 4.13Å; L13-Y342 HydrophobicContact CD2-CD2 3.44Å; L13-Y342 VanDerWaalsContact CD2-CD2 3.44Å; L13-Y342 HydrophobicContact CD2-CE2 3.98Å; L13-Y342 HydrophobicContact CD2-CG 3.52Å; L13-Y342 HydrophobicContact CG-CD2 3.89Å; L13-Y342 HydrophobicContact CG-CE2 4.46Å; L13-Y342 HydrophobicContact CG-CG 4.35Å; D14-Y342 WeakPolarHBondContact OD1-CB 3.4Å; D14-Y342 WeakPolarHBondContact OD1-CD2 3.4Å; D14-Y342 PolarHBondContact OD1-N 2.93Å; D14-Y342 PolarHBondContact OD2-N 3.01Å; D14-Y342 VanDerWaalsContact OD2-N 3.12Å; L17-Y342 HydrophobicContact CD1-CD2 3.68Å; L17-Y342 HydrophobicContact CD1-CE2 3.38Å; Y267-Y342 HydrophobicContact CE2-CE1 4.28Å; L337-Y342 VanDerWaalsContact C-OH 3.28Å; L337-Y342 WeakPolarHBondContact CA-OH 2.72Å; L337-Y342 VanDerWaalsContact CB-OH 3.3Å; L337-Y342 WeakPolarHBondContact CB-OH 3.46Å; L337-Y342 PolarHBondContact O-OH 3.14Å; R339-Y342 WeakPolarHBondContact O-CE2 3.45Å; Y342-Q344 PolarHBondContact O-N 3.28Å; Y342-Q344 VanDerWaalsContact O-N 3.13Å; Y342-T345 WeakPolarHBondContact O-CA 3.42Å; Y342-T345 WeakPolarHBondContact O-CB 3.47Å; Y342-T345 PolarHBondContact O-N 3.08Å; Y342-T345 PolarHBondContact O-OG1 2.89Å; Y342-A346 PolarHBondContact O-N 3.39Å
343	Q	98.8	Very high	98.5	Very high	54 Å²	54	39.5 Å²	39.5	25%	0.252	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-59.1	-31.9	178.3	-171.8	-178.3	24.9	0	0	111.4	D10 A11 D14 I341 T345 A346	D10-Q343 HydrophobicContact CB-CB 4.48Å; A11-Q343 HydrophobicContact CB-CG 4.24Å; D14-Q343 WeakPolarHBondContact OD2-CB 3.42Å; D14-Q343 PolarHBondContact OD2-N 3.19Å; I341-Q343 PolarHBondContact O-N 3.23Å; Q343-T345 PolarHBondContact O-N 3.03Å; Q343-A346 PolarHBondContact O-N 3.3Å
344	Q	98.2	Very high	98.4	Very high	109 Å²	109	38.4 Å²	38.4	51%	0.509	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-68	-25.8	176.3	-57.5	-177.1	25.5	0	0	112.3	I341 Y342 R353 F356	I341-Q344 WeakPolarHBondContact O-CB 3.19Å; I341-Q344 PolarHBondContact O-N 2.88Å; Y342-Q344 PolarHBondContact O-N 3.28Å; Y342-Q344 VanDerWaalsContact O-N 3.13Å; Q344-R353 PolarHBondContact O-NH1 3.2Å; Q344-R353 PolarHBondContact O-NH2 2.96Å; Q344-R353 VanDerWaalsContact O-NH2 3.16Å; Q344-F356 HydrophobicContact CB-CE1 4.48Å; Q344-F356 HydrophobicContact CB-CZ 4.3Å
345	T	98.7	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-28	179.6	73.9	0	0	0	0	112.7	Y342 Q343 S347 H350 F356 W358	Y342-T345 WeakPolarHBondContact O-CA 3.42Å; Y342-T345 WeakPolarHBondContact O-CB 3.47Å; Y342-T345 PolarHBondContact O-N 3.08Å; Y342-T345 PolarHBondContact O-OG1 2.89Å; Q343-T345 PolarHBondContact O-N 3.03Å; T345-S347 PolarHBondContact O-N 2.95Å; T345-H350 WeakPolarHBondContact CB-ND1 3.43Å; T345-H350 PolarHBondContact O-CD2 3.39Å; T345-H350 VanDerWaalsContact O-CD2 3.3Å; T345-H350 PolarHBondContact O-NE2 3.45Å; T345-H350 PolarHBondContact OG1-CE1 2.71Å; T345-H350 PolarHBondContact OG1-ND1 3.48Å; T345-F356 HydrophobicContact CG2-CD1 4.28Å; T345-F356 HydrophobicContact CG2-CE1 3.65Å; T345-F356 HydrophobicContact CG2-CE2 4.27Å; T345-F356 HydrophobicContact CG2-CZ 3.64Å; T345-W358 HydrophobicContact CG2-CH2 3.88Å; T345-W358 HydrophobicContact CG2-CZ2 3.99Å
346	A	98.5	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-69	-0.1	-170.8	0	0	0	0	0	115.7	K3 D6 Q7 D10 Y342 Q343	K3-A346 WeakPolarHBondContact CD-O 3.43Å; K3-A346 PolarHBondContact NZ-O 3.38Å; D6-A346 HydrophobicContact CB-CB 4.14Å; Q7-A346 HydrophobicContact CB-CB 4.33Å; Q7-A346 HydrophobicContact CG-CB 3.76Å; D10-A346 HydrophobicContact CB-CB 4.29Å; Y342-A346 PolarHBondContact O-N 3.39Å; Q343-A346 PolarHBondContact O-N 3.3Å
347	S	97.1	Very high	98.4	Very high	20 Å²	20	37 Å²	37	14%	0.14	19%	0.186	C	C	.	.	S	Bend	trans	-141.8	151.7	174.1	64.6	0	0	0	0	111.2	T345 G349 R353	T345-S347 PolarHBondContact O-N 2.95Å; S347-G349 PolarHBondContact O-N 2.91Å; S347-R353 PolarHBondContact O-NH1 2.85Å
348	Y	98.4	Very high	98.4	Very high	74 Å²	74	36.9 Å²	36.9	29%	0.29	19%	0.186	S	C	.	.	S	Bend	trans	62.6	25	-179.8	-43.2	-66.4	0	0	0	115.2	H129 N132 A136	H129-Y348 PolarHBondContact CD2-O 3.17Å; N132-Y348 HydrophobicContact CB-CD1 4.38Å; N132-Y348 HydrophobicContact CB-CE1 4.02Å; A136-Y348 WeakPolarHBondContact CB-OH 3.36Å
349	G	98.3	Very high	98.4	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.178	C	C	.	.			trans	85	145.5	177.2	0	0	0	0	0	112.9	S347 F351 R353	S347-G349 PolarHBondContact O-N 2.91Å; G349-F351 VanDerWaalsContact C-N 3.32Å; G349-R353 PolarHBondContact O-NH1 2.69Å
350	H	98.9	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-80.7	-17.5	177	-70.7	-114.3	0	0	0	112	D240 F253 Y267 T345 W358	D240-H350 PolarHBondContact O-N 3.47Å; D240-H350 IonicContact OD1-CD2 3.83Å; D240-H350 PolarHBondContact OD1-CD2 3.12Å; D240-H350 IonicContact OD1-NE2 2.98Å; F253-H350 HydrophobicContact CD2-CB 4.4Å; F253-H350 AromaticContact CD2-CD2 3.74Å; F253-H350 AromaticContact CD2-CE1 3.74Å; F253-H350 AromaticContact CD2-CG 3.68Å; F253-H350 AromaticContact CD2-ND1 3.66Å; F253-H350 AromaticContact CD2-NE2 3.76Å; F253-H350 HydrophobicContact CE2-CB 4.45Å; Y267-H350 HydrophobicContact CE1-CB 4.08Å; Y267-H350 AromaticContact CE1-ND1 3.66Å; Y267-H350 AromaticContact CZ-ND1 3.59Å; Y267-H350 PolarHBondContact OH-CE1 2.81Å; Y267-H350 PolarHBondContact OH-ND1 2.76Å; T345-H350 WeakPolarHBondContact CB-ND1 3.43Å; T345-H350 PolarHBondContact O-CD2 3.39Å; T345-H350 VanDerWaalsContact O-CD2 3.3Å; T345-H350 PolarHBondContact O-NE2 3.45Å; T345-H350 PolarHBondContact OG1-CE1 2.71Å; T345-H350 PolarHBondContact OG1-ND1 3.48Å; H350-W358 PolarHBondContact O-NE1 3.27Å
351	F	98.9	Very high	98.4	Very high	6 Å²	6	35 Å²	35	3%	0.026	19%	0.188	C	C	.	.	S	Bend	trans	-120.9	156.3	-170.6	-53.7	-40.6	0	0	0	112.7	M121 T241 Y242 F253 Y267 R270 G349 W358 E359	M121-F351 HydrophobicContact CE-CB 3.86Å; M121-F351 HydrophobicContact SD-CB 3.77Å; T241-F351 HydrophobicContact CG2-CD2 4.49Å; T241-F351 HydrophobicContact CG2-CE2 3.82Å; Y242-F351 HydrophobicContact CD1-CD2 4.1Å; Y242-F351 HydrophobicContact CE1-CB 4.48Å; Y242-F351 AromaticContact CE1-CD2 3.31Å; Y242-F351 HydrophobicContact CE1-CD2 3.31Å; Y242-F351 AromaticContact CE1-CE2 3.79Å; Y242-F351 HydrophobicContact CE1-CE2 3.79Å; Y242-F351 HydrophobicContact CE1-CG 4.18Å; Y242-F351 HydrophobicContact CE2-CD2 4.48Å; Y242-F351 HydrophobicContact CE2-CE2 4.18Å; Y242-F351 AromaticContact CZ-CD2 3.53Å; Y242-F351 AromaticContact CZ-CE2 3.46Å; Y242-F351 VanDerWaalsContact CZ-CE2 3.46Å; Y242-F351 WeakPolarHBondContact OH-CE2 3.46Å; F253-F351 HydrophobicContact CE2-CZ 4.45Å; F253-F351 HydrophobicContact CZ-CZ 4.44Å; Y267-F351 AromaticContact CD1-CE1 3.58Å; Y267-F351 HydrophobicContact CD1-CE1 3.58Å; Y267-F351 AromaticContact CD1-CZ 3.99Å; Y267-F351 HydrophobicContact CD1-CZ 3.99Å; Y267-F351 HydrophobicContact CE1-CE1 4.05Å; Y267-F351 HydrophobicContact CE1-CZ 4.44Å; Y267-F351 HydrophobicContact CG-CE1 4.45Å; R270-F351 HydrophobicContact CB-CD1 3.97Å; R270-F351 HydrophobicContact CB-CE1 3.73Å; R270-F351 HydrophobicContact CB-CE2 4.44Å; R270-F351 HydrophobicContact CB-CG 4.44Å; R270-F351 HydrophobicContact CB-CZ 3.98Å; R270-F351 HydrophobicContact CG-CB 4.38Å; R270-F351 HydrophobicContact CG-CD1 3.56Å; R270-F351 HydrophobicContact CG-CD2 4.49Å; R270-F351 HydrophobicContact CG-CE1 3.87Å; R270-F351 HydrophobicContact CG-CG 3.9Å; R270-F351 HydrophobicContact CG-CZ 4.45Å; G349-F351 VanDerWaalsContact C-N 3.32Å; F351-W358 AromaticContact CD1-CD1 3.72Å; F351-W358 AromaticContact CD1-NE1 3.58Å; F351-W358 AromaticContact CE1-NE1 3.95Å; F351-E359 VanDerWaalsContact CA-OE1 3.27Å; F351-E359 WeakPolarHBondContact CA-OE1 3.48Å; F351-E359 WeakPolarHBondContact CB-OE1 3.46Å
352	G	98.4	Very high	98.4	Very high	13 Å²	13	36.8 Å²	36.8	13%	0.134	19%	0.194	C	C	.	.	S	Bend	trans	84.1	5	-179.3	0	0	0	0	0	115.5	E119 E359	E119-G352 WeakPolarHBondContact CB-O 3.3Å; G352-E359 WeakPolarHBondContact CA-OE2 3.44Å; G352-E359 PolarHBondContact N-OE1 3.05Å; G352-E359 PolarHBondContact N-OE2 3.25Å
353	R	98	Very high	98.4	Very high	48 Å²	48	45.3 Å²	45.3	18%	0.181	23%	0.234	C	C	.	.			trans	-108.4	119	-176.8	-75.8	171.5	56.2	-164.5	-0.8	111.3	Q344 S347 G349 E355 F356 E359	Q344-R353 PolarHBondContact O-NH1 3.2Å; Q344-R353 PolarHBondContact O-NH2 2.96Å; Q344-R353 VanDerWaalsContact O-NH2 3.16Å; S347-R353 PolarHBondContact O-NH1 2.85Å; G349-R353 PolarHBondContact O-NH1 2.69Å; R353-E355 WeakPolarHBondContact CB-OE2 3.31Å; R353-E355 IonicContact CZ-OE1 3.23Å; R353-E355 IonicContact NE-OE1 3.73Å; R353-E355 PolarHBondContact NE-OE1 3.1Å; R353-E355 IonicContact NH2-OE1 2.93Å; R353-E355 PolarHBondContact NH2-OE1 3.49Å; R353-E355 PolarHBondContact O-N 3.12Å; R353-E355 VanDerWaalsContact O-N 3.16Å; R353-F356 HydrophobicContact CB-CD2 3.85Å; R353-F356 HydrophobicContact CB-CE2 3.8Å; R353-F356 VanDerWaalsContact CZ-CE2 3.46Å; R353-F356 PolarHBondContact O-N 2.98Å; R353-E359 WeakPolarHBondContact O-CB 3.47Å; R353-E359 VanDerWaalsContact O-CG 3.25Å; R353-E359 WeakPolarHBondContact O-CG 3.41Å
354	P	97	Very high	98.4	Very high	109 Å²	109	43.6 Å²	43.6	71%	0.708	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.1	-164	28.7	-36.8	0	0	0	115	F356	P354-F356 PolarHBondContact O-N 3.36Å
355	E	97.3	Very high	98.3	Very high	99 Å²	99	42.6 Å²	42.6	46%	0.463	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-12	179.8	63.1	-92.6	-146.8	0	0	114.2	R353	R353-E355 WeakPolarHBondContact CB-OE2 3.31Å; R353-E355 IonicContact CZ-OE1 3.23Å; R353-E355 IonicContact NE-OE1 3.73Å; R353-E355 PolarHBondContact NE-OE1 3.1Å; R353-E355 IonicContact NH2-OE1 2.93Å; R353-E355 PolarHBondContact NH2-OE1 3.49Å; R353-E355 PolarHBondContact O-N 3.12Å; R353-E355 VanDerWaalsContact O-N 3.16Å
356	F	98.6	Very high	98.1	Very high	3 Å²	3	50 Å²	50	1%	0.013	26%	0.257	C	S	.	.	S	Bend	trans	-100.1	142.8	-176.3	-56.4	-56.2	0	0	0	113.1	I341 Q344 T345 R353 P354 W358 E359	I341-F356 HydrophobicContact CD1-CD1 4.16Å; Q344-F356 HydrophobicContact CB-CE1 4.48Å; Q344-F356 HydrophobicContact CB-CZ 4.3Å; T345-F356 HydrophobicContact CG2-CD1 4.28Å; T345-F356 HydrophobicContact CG2-CE1 3.65Å; T345-F356 HydrophobicContact CG2-CE2 4.27Å; T345-F356 HydrophobicContact CG2-CZ 3.64Å; R353-F356 HydrophobicContact CB-CD2 3.85Å; R353-F356 HydrophobicContact CB-CE2 3.8Å; R353-F356 VanDerWaalsContact CZ-CE2 3.46Å; R353-F356 PolarHBondContact O-N 2.98Å; P354-F356 PolarHBondContact O-N 3.36Å; F356-W358 VanDerWaalsContact C-N 3.34Å; F356-W358 HydrophobicContact CB-CD2 3.83Å; F356-W358 VanDerWaalsContact CB-CE2 3.44Å; F356-W358 HydrophobicContact CB-CE3 4.15Å; F356-W358 HydrophobicContact CB-CG 4.46Å; F356-W358 HydrophobicContact CB-CH2 3.81Å; F356-W358 HydrophobicContact CB-CZ2 3.46Å; F356-W358 VanDerWaalsContact CB-CZ2 3.46Å; F356-W358 HydrophobicContact CB-CZ3 4.14Å; F356-W358 AromaticContact CD1-CH2 3.72Å; F356-W358 HydrophobicContact CD1-CH2 3.72Å; F356-W358 AromaticContact CD1-CZ2 3.82Å; F356-W358 HydrophobicContact CD1-CZ2 3.82Å; F356-W358 HydrophobicContact CD2-CH2 4.5Å; F356-W358 AromaticContact CD2-CZ2 3.76Å; F356-W358 HydrophobicContact CD2-CZ2 3.76Å; F356-W358 HydrophobicContact CE1-CH2 4.44Å; F356-W358 HydrophobicContact CE2-CZ2 4.44Å; F356-W358 AromaticContact CG-CE2 3.88Å; F356-W358 AromaticContact CG-CH2 3.76Å; F356-W358 HydrophobicContact CG-CH2 3.76Å; F356-W358 AromaticContact CG-CZ2 3.39Å; F356-W358 HydrophobicContact CG-CZ2 3.39Å; F356-W358 PolarHBondContact O-N 3.17Å; F356-E359 HydrophobicContact CB-CG 4.41Å; F356-E359 WeakPolarHBondContact O-CB 3.45Å; F356-E359 PolarHBondContact O-N 3.21Å
357	S	98.7	Very high	98.1	Very high	22 Å²	22	52.5 Å²	52.5	15%	0.154	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-60	-39.4	-176.4	46.7	0	0	0	0	113.2	L335 E359 V360	L335-S357 WeakPolarHBondContact O-CB 3.44Å; L335-S357 PolarHBondContact O-OG 3.48Å; S357-E359 PolarHBondContact O-N 3.11Å; S357-V360 PolarHBondContact O-N 3.28Å; S357-V360 VanDerWaalsContact O-N 3.1Å
358	W	98.9	Very high	98.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-68.7	-11.4	177	55.1	87.3	0	0	0	113.7	Y267 W271 L335 L337 T345 H350 F351 F356	Y267-W358 AromaticContact CD2-CD2 3.73Å; Y267-W358 HydrophobicContact CD2-CD2 3.73Å; Y267-W358 AromaticContact CD2-CE3 3.4Å; Y267-W358 HydrophobicContact CD2-CE3 3.4Å; Y267-W358 VanDerWaalsContact CD2-CE3 3.4Å; Y267-W358 AromaticContact CD2-CH2 3.75Å; Y267-W358 HydrophobicContact CD2-CH2 3.75Å; Y267-W358 HydrophobicContact CD2-CZ2 4.04Å; Y267-W358 AromaticContact CD2-CZ3 3.42Å; Y267-W358 HydrophobicContact CD2-CZ3 3.42Å; Y267-W358 VanDerWaalsContact CD2-CZ3 3.42Å; Y267-W358 HydrophobicContact CE1-CZ2 4.44Å; Y267-W358 HydrophobicContact CE2-CD2 4.26Å; Y267-W358 AromaticContact CE2-CE3 3.91Å; Y267-W358 HydrophobicContact CE2-CE3 3.91Å; Y267-W358 AromaticContact CE2-CH2 3.32Å; Y267-W358 HydrophobicContact CE2-CH2 3.32Å; Y267-W358 AromaticContact CE2-CZ2 3.69Å; Y267-W358 HydrophobicContact CE2-CZ2 3.69Å; Y267-W358 AromaticContact CE2-CZ3 3.44Å; Y267-W358 HydrophobicContact CE2-CZ3 3.44Å; Y267-W358 VanDerWaalsContact CE2-CZ3 3.44Å; Y267-W358 AromaticContact CG-CD2 3.92Å; Y267-W358 HydrophobicContact CG-CD2 3.92Å; Y267-W358 HydrophobicContact CG-CE3 4.03Å; Y267-W358 HydrophobicContact CG-CG 4.33Å; Y267-W358 HydrophobicContact CG-CZ3 4.41Å; Y267-W358 AromaticContact CZ-CH2 3.94Å; Y267-W358 AromaticContact CZ-CZ2 3.91Å; Y267-W358 WeakPolarHBondContact O-CB 3.44Å; W271-W358 WeakPolarHBondContact CA-O 3.07Å; W271-W358 HydrophobicContact CB-CB 4.05Å; L335-W358 HydrophobicContact CD1-CB 4.15Å; L335-W358 HydrophobicContact CD2-CB 4.21Å; L337-W358 HydrophobicContact CD2-CE3 4.27Å; L337-W358 HydrophobicContact CD2-CZ3 4Å; T345-W358 HydrophobicContact CG2-CH2 3.88Å; T345-W358 HydrophobicContact CG2-CZ2 3.99Å; H350-W358 PolarHBondContact O-NE1 3.27Å; F351-W358 AromaticContact CD1-CD1 3.72Å; F351-W358 AromaticContact CD1-NE1 3.58Å; F351-W358 AromaticContact CE1-NE1 3.95Å; F356-W358 VanDerWaalsContact C-N 3.34Å; F356-W358 HydrophobicContact CB-CD2 3.83Å; F356-W358 VanDerWaalsContact CB-CE2 3.44Å; F356-W358 HydrophobicContact CB-CE3 4.15Å; F356-W358 HydrophobicContact CB-CG 4.46Å; F356-W358 HydrophobicContact CB-CH2 3.81Å; F356-W358 HydrophobicContact CB-CZ2 3.46Å; F356-W358 VanDerWaalsContact CB-CZ2 3.46Å; F356-W358 HydrophobicContact CB-CZ3 4.14Å; F356-W358 AromaticContact CD1-CH2 3.72Å; F356-W358 HydrophobicContact CD1-CH2 3.72Å; F356-W358 AromaticContact CD1-CZ2 3.82Å; F356-W358 HydrophobicContact CD1-CZ2 3.82Å; F356-W358 HydrophobicContact CD2-CH2 4.5Å; F356-W358 AromaticContact CD2-CZ2 3.76Å; F356-W358 HydrophobicContact CD2-CZ2 3.76Å; F356-W358 HydrophobicContact CE1-CH2 4.44Å; F356-W358 HydrophobicContact CE2-CZ2 4.44Å; F356-W358 AromaticContact CG-CE2 3.88Å; F356-W358 AromaticContact CG-CH2 3.76Å; F356-W358 HydrophobicContact CG-CH2 3.76Å; F356-W358 AromaticContact CG-CZ2 3.39Å; F356-W358 HydrophobicContact CG-CZ2 3.39Å; F356-W358 PolarHBondContact O-N 3.17Å
359	E	98.8	Very high	98.1	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.023	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-93	-6	174.8	-66.1	-65.2	148.8	0	0	112.8	R270 K274 F351 G352 R353 F356 S357 P361	R270-E359 IonicContact CZ-OE1 3.08Å; R270-E359 IonicContact CZ-OE2 3.49Å; R270-E359 IonicContact NE-OE1 3.3Å; R270-E359 PolarHBondContact NE-OE1 3.01Å; R270-E359 IonicContact NE-OE2 2.7Å; R270-E359 IonicContact NH2-OE1 3.22Å; R270-E359 PolarHBondContact NH2-OE1 2.98Å; R270-E359 IonicContact NH2-OE2 2.82Å; R270-E359 PolarHBondContact NH2-OE2 2.69Å; K274-E359 WeakPolarHBondContact CD-O 3.4Å; K274-E359 VanDerWaalsContact CD-OE2 3.32Å; K274-E359 WeakPolarHBondContact CD-OE2 3.32Å; K274-E359 WeakPolarHBondContact CE-O 3.43Å; K274-E359 WeakPolarHBondContact CE-OE2 3.28Å; K274-E359 PolarHBondContact NZ-O 3.47Å; K274-E359 IonicContact NZ-OE2 3.17Å; K274-E359 PolarHBondContact NZ-OE2 3.11Å; F351-E359 VanDerWaalsContact CA-OE1 3.27Å; F351-E359 WeakPolarHBondContact CA-OE1 3.48Å; F351-E359 WeakPolarHBondContact CB-OE1 3.46Å; G352-E359 WeakPolarHBondContact CA-OE2 3.44Å; G352-E359 PolarHBondContact N-OE1 3.05Å; G352-E359 PolarHBondContact N-OE2 3.25Å; R353-E359 WeakPolarHBondContact O-CB 3.47Å; R353-E359 VanDerWaalsContact O-CG 3.25Å; R353-E359 WeakPolarHBondContact O-CG 3.41Å; F356-E359 HydrophobicContact CB-CG 4.41Å; F356-E359 WeakPolarHBondContact O-CB 3.45Å; F356-E359 PolarHBondContact O-N 3.21Å; S357-E359 PolarHBondContact O-N 3.11Å; E359-P361 WeakPolarHBondContact O-CD 3.29Å
360	V	98.8	Very high	98.1	Very high	88 Å²	88	56.2 Å²	56.2	53%	0.533	29%	0.291	S	S	.	.	S	Bend	trans	-90.5	107.8	173.9	-176.5	0	0	0	0	109	W271 S357 K362	W271-V360 PolarHBondContact NE1-O 2.79Å; S357-V360 PolarHBondContact O-N 3.28Å; S357-V360 VanDerWaalsContact O-N 3.1Å; V360-K362 PolarHBondContact O-N 3.08Å
361	P	98.6	Very high	98.1	Very high	54 Å²	54	59.7 Å²	59.7	35%	0.351	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-59.6	137.1	-176.4	-22.3	34.7	0	0	0	112	K274 K278 E359	K274-P361 HydrophobicContact CG-CG 4.49Å; K278-P361 HydrophobicContact CB-CB 3.94Å; K278-P361 HydrophobicContact CB-CG 3.85Å; K278-P361 HydrophobicContact CD-CG 4.46Å; K278-P361 HydrophobicContact CG-CB 4.26Å; K278-P361 HydrophobicContact CG-CG 3.64Å; E359-P361 WeakPolarHBondContact O-CD 3.29Å
362	K	98.7	Very high	98	Very high	67 Å²	67	63.3 Å²	63.3	29%	0.291	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-75.6	136.3	170.3	-162.1	175.7	-170.2	160.7	0	109.6	W271 S275 N323 F324 V360 L364	W271-K362 HydrophobicContact CH2-CB 4.44Å; W271-K362 HydrophobicContact CH2-CD 3.67Å; W271-K362 HydrophobicContact CH2-CG 4.35Å; W271-K362 HydrophobicContact CZ2-CB 3.62Å; W271-K362 HydrophobicContact CZ2-CD 3.68Å; W271-K362 HydrophobicContact CZ2-CG 3.84Å; S275-K362 PolarHBondContact OG-N 3.24Å; N323-K362 VanDerWaalsContact O-CE 3.3Å; N323-K362 WeakPolarHBondContact O-CE 3.3Å; N323-K362 PolarHBondContact O-NZ 2.68Å; F324-K362 HydrophobicContact CD1-CD 4.08Å; F324-K362 HydrophobicContact CE1-CB 3.91Å; F324-K362 HydrophobicContact CE1-CD 3.63Å; F324-K362 HydrophobicContact CE1-CG 4.4Å; F324-K362 HydrophobicContact CZ-CB 3.84Å; F324-K362 HydrophobicContact CZ-CD 3.97Å; F324-K362 HydrophobicContact CZ-CG 4.48Å; V360-K362 PolarHBondContact O-N 3.08Å; K362-L364 HydrophobicContact CB-CD2 4.31Å; K362-L364 PolarHBondContact O-N 2.82Å
363	E	98.5	Very high	98	Very high	179 Å²	179	66.9 Å²	66.9	84%	0.836	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-68.3	125.5	166.9	-170.2	176.8	-179.9	0	0	109.3
364	L	98.6	Very high	98	Very high	18 Å²	18	68.3 Å²	68.3	9%	0.094	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-102.3	133.9	-173.2	-55.7	-177.8	0	0	0	110.8	L276 A279 L281 I319 N323 F324 K362 Y366	L276-L364 HydrophobicContact CD2-CD1 3.88Å; A279-L364 HydrophobicContact CB-CD1 3.98Å; A279-L364 HydrophobicContact CB-CG 4.47Å; L281-L364 HydrophobicContact CD1-CD1 3.91Å; I319-L364 HydrophobicContact CG2-CB 4.45Å; I319-L364 HydrophobicContact CG2-CD1 4.37Å; N323-L364 HydrophobicContact CB-CD2 3.93Å; F324-L364 HydrophobicContact CE2-CD2 3.45Å; F324-L364 VanDerWaalsContact CE2-CD2 3.45Å; F324-L364 HydrophobicContact CZ-CD2 3.65Å; K362-L364 HydrophobicContact CB-CD2 4.31Å; K362-L364 PolarHBondContact O-N 2.82Å; L364-Y366 HydrophobicContact CB-CD1 3.78Å; L364-Y366 HydrophobicContact CB-CE1 3.98Å; L364-Y366 WeakPolarHBondContact O-CD1 3.36Å
365	V	97.4	Very high	98.1	Very high	89 Å²	89	64.9 Å²	64.9	54%	0.539	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-98.2	116.8	172.9	-176.2	0	0	0	0	109.3	N323	N323-V365 PolarHBondContact ND2-O 2.99Å; N323-V365 PolarHBondContact OD1-N 3.44Å
366	Y	94.4	Very high	98.2	Very high	155 Å²	155	61.8 Å²	61.8	61%	0.608	31%	0.313	S	S	*	.			trans	-150.6	0	-177	56.7	-96.5	0	0	0	115.1	L281 I319 L364	L281-Y366 HydrophobicContact CD1-CD1 4.09Å; L281-Y366 HydrophobicContact CD1-CE1 3.89Å; L281-Y366 HydrophobicContact CD2-CD2 4.21Å; L281-Y366 HydrophobicContact CD2-CE1 4.08Å; L281-Y366 HydrophobicContact CD2-CE2 3.69Å; L281-Y366 HydrophobicContact CG-CE1 4.2Å; I319-Y366 VanDerWaalsContact CD1-CB 3.44Å; I319-Y366 HydrophobicContact CD1-CD2 4.39Å; I319-Y366 HydrophobicContact CD1-CG 3.9Å; I319-Y366 HydrophobicContact CG1-CG 4.45Å; I319-Y366 HydrophobicContact CG2-CD1 4.26Å; I319-Y366 HydrophobicContact CG2-CG 4.47Å; L364-Y366 HydrophobicContact CB-CD1 3.78Å; L364-Y366 HydrophobicContact CB-CE1 3.98Å; L364-Y366 WeakPolarHBondContact O-CD1 3.36Å

Retrieved 366 of 366 residues in 625.9 ms (Link to these results)

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