A0A3Q0KBD6_SCHMA Loading...

Protein-lysine N-methyltransferase SMYD4

Protein-lysine N-methyltransferase. Monomethylates PRMT5, modulating its transcriptional activity. May also act as a histone methyltransferase. Plays a critical role in cardiac development. Acts as a key epigenetic regulator of gene expression during cardiac development via its dual activities as a methyltransferase and negative regulator of HDAC1.

AlphaFold DB , UniProt , Accession A0A3Q0KBD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 828 aa.

						>A0A3Q0KBD6_SCHMA|A0A3Q0KBD6
MVTPNPTDLYRFCDLVMESVVKMSPPSYDLPWLPGFEECKTDYERIKKFMSMPFLRQFKISISGQSPAAKNDSIAKQKREHGNEAWRTNNLSLALRYYTEAIFFAASPEEKALGYGNRSCVLSRIGVHEAVLQDIDLAIKYNFPKDRRPRLFIRRSQSLISLKRFKEALIEFNNCMEYMKSENLTIPNNLNEAIQKGIKDCSTMKDELLIDDSVIPYFVHEAKSLIMKHGNTQKIIIKNCNNSNNGSNITDHNLHPSILRSLYLQDPPAVRLNYNDEFGWHIVATKNIQPGELLILDKPYSCRLHYSRLLLNCYRCSKRCINPIPCRSCTQVGFCSESCEQEAWNPVWTDINTSLPLESTTDLSLPCHRFECGLVDRLIIEDYAGWKRLRSKSLNDLTVSMKKLKSFIDKLSDDDVIGGPNISWLAFALLTKTAPNILNRLIKISLNKLTCQNDEKPISKEELSSFTGNRVVPQQSWDDYTTVDWLITNSVKRKTSDLWQRTVVTVYLTFCLEAGGYPITKDIDDNGQSNCTLPFNWASTCILHHLQCISSNGHSLSLPEYIFTENTTTVHNNNISDKQQKIPGIDLNKLTSNEISTCLYPVLSLINHSCDPNITNVTIDKFQCAIYSIRPIEQNEIIYGNYGLHYAIHSLNERQSSLQSQYHFRCICLACIEDWSPLITTTTNNNNMTNSSKDFQLKCLTCSGLINFGTLLNSDNKSSLRKVHYCQCSQPIQLKSLSKFQKLFYNDLYTKFDTIPLTFQKTSPKKMTNKFLNKFIVYTKQMLDTEHLYNILQRPCNALDWLQEMLKQLLDLQHTGWSYESKIIRSAF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	M	65.8	Low	87.9	Confident	72 Å²	72	59.5 Å²	59.5	36%	0.355	31%	0.313	S	S	.	.				0	-34.7	0	-65.9	-176.4	60.6	0	0	112.4	E100 F103 F104 L310	M1-E100 HydrophobicContact CG-CG 3.97Å; M1-E100 HydrophobicContact SD-CB 4.04Å; M1-E100 HydrophobicContact SD-CG 3.73Å; M1-F103 HydrophobicContact CE-CB 3.68Å; M1-F103 HydrophobicContact CE-CG 4.46Å; M1-F103 HydrophobicContact SD-CB 3.96Å; M1-F103 HydrophobicContact SD-CG 4.27Å; M1-F104 HydrophobicContact CE-CD2 3.68Å; M1-F104 HydrophobicContact CE-CE2 3.22Å; M1-F104 HydrophobicContact CE-CG 4.49Å; M1-F104 HydrophobicContact CE-CZ 3.69Å; M1-F104 HydrophobicContact SD-CE2 4.49Å; M1-L310 HydrophobicContact CB-CD1 3.93Å; M1-L310 HydrophobicContact CG-CD1 3.8Å; M1-L310 HydrophobicContact SD-CD1 3.79Å
2	V	76.1	Confident	88.7	Confident	21 Å²	21	54.6 Å²	54.6	13%	0.127	29%	0.287	C	S	.	.			trans	-91.5	112.2	176.1	-173.8	0	0	0	0	109	L309 Q331 V375 D376 I379	V2-L309 HydrophobicContact CB-CD1 4.09Å; V2-L309 HydrophobicContact CG1-CD1 4.14Å; V2-L309 HydrophobicContact CG2-CD1 3.87Å; V2-Q331 HydrophobicContact CG2-CB 3.87Å; V2-Q331 HydrophobicContact CG2-CG 4.1Å; V2-Q331 WeakPolarHBondContact CG2-O 3.37Å; V2-V375 HydrophobicContact CG1-CG1 4.1Å; V2-D376 HydrophobicContact CG1-CB 4.45Å; V2-I379 HydrophobicContact CG1-CD1 3.83Å
3	T	83.6	Confident	89.4	Confident	105 Å²	105	50.5 Å²	50.5	64%	0.644	27%	0.265	S	S	*	.			trans	-111.8	131.9	170.3	47.9	0	0	0	0	107.8	N5 D376	T3-N5 PolarHBondContact O-N 3.43Å; T3-D376 WeakPolarHBondContact O-CB 3.43Å
4	P	88.6	Confident	89.9	Confident	53 Å²	53	49.1 Å²	49.1	34%	0.344	26%	0.258	S	S	.	.			trans	-51.1	133.6	173.5	-26.3	34.7	0	0	0	111	P6 D376 I379	P4-P6 WeakPolarHBondContact O-CD 3.08Å; P4-D376 WeakPolarHBondContact CA-O 3.34Å; P4-I379 HydrophobicContact CB-CB 4.47Å; P4-I379 HydrophobicContact CB-CG2 4.29Å; P4-I379 HydrophobicContact CG-CB 4.31Å; P4-I379 HydrophobicContact CG-CG2 3.72Å
5	N	90.2	Very high	90.4	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.214	26%	0.258	C	S	.	.			trans	-119.6	88.3	179.3	-177.2	1.5	0	0	0	109.6	T3 T7 D376	T3-N5 PolarHBondContact O-N 3.43Å; N5-T7 PolarHBondContact O-N 3.35Å; N5-T7 WeakPolarHBondContact OD1-CB 3.38Å; N5-T7 PolarHBondContact OD1-N 3.25Å; N5-T7 PolarHBondContact OD1-OG1 2.88Å; N5-D376 HydrophobicContact CB-CB 4.13Å; N5-D376 VanDerWaalsContact CB-OD2 3.28Å; N5-D376 WeakPolarHBondContact CB-OD2 3.31Å; N5-D376 PolarHBondContact N-O 3.45Å
6	P	90.7	Very high	90.9	Very high	45 Å²	45	46.3 Å²	46.3	29%	0.292	24%	0.243	S	C	.	.			trans	-82.9	8	-175.7	35.5	-37.8	0	0	0	113.1	P4 D8 L9 Y10	P4-P6 WeakPolarHBondContact O-CD 3.08Å; P6-D8 PolarHBondContact O-N 3.35Å; P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 2.77Å; P6-Y10 HydrophobicContact CB-CD1 4.42Å; P6-Y10 HydrophobicContact CB-CD2 3.69Å; P6-Y10 HydrophobicContact CB-CE1 4.21Å; P6-Y10 HydrophobicContact CB-CE2 3.44Å; P6-Y10 VanDerWaalsContact CB-CE2 3.44Å; P6-Y10 HydrophobicContact CB-CG 4.19Å; P6-Y10 HydrophobicContact CG-CD2 3.75Å; P6-Y10 HydrophobicContact CG-CE2 3.32Å; P6-Y10 VanDerWaalsContact O-CB 3.27Å; P6-Y10 WeakPolarHBondContact O-CB 3.3Å; P6-Y10 WeakPolarHBondContact O-CD2 3.37Å; P6-Y10 VanDerWaalsContact O-CG 3.3Å; P6-Y10 PolarHBondContact O-N 3.3Å
7	T	92.1	Very high	91.2	Very high	93 Å²	93	43.8 Å²	43.8	57%	0.571	23%	0.231	S	C	*	.	H	α-helix	trans	-56.2	-50.2	-172.4	-54.2	0	0	0	0	112.6	N5 Y10 R11	N5-T7 PolarHBondContact O-N 3.35Å; N5-T7 WeakPolarHBondContact OD1-CB 3.38Å; N5-T7 PolarHBondContact OD1-N 3.25Å; N5-T7 PolarHBondContact OD1-OG1 2.88Å; T7-Y10 PolarHBondContact O-N 2.85Å; T7-R11 PolarHBondContact O-N 2.86Å; T7-R11 VanDerWaalsContact O-N 3.08Å
8	D	92.5	Very high	91.5	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-39.5	179.1	-70	-46.8	0	0	0	111.7	P6 R11 F12 I60 R377 Y507	P6-D8 PolarHBondContact O-N 3.35Å; D8-R11 PolarHBondContact O-N 3.06Å; D8-F12 WeakPolarHBondContact O-CB 3.46Å; D8-F12 PolarHBondContact O-N 2.91Å; D8-I60 HydrophobicContact CB-CD1 4.29Å; D8-R377 IonicContact OD2-CZ 2.91Å; D8-R377 VanDerWaalsContact OD2-CZ 3.23Å; D8-R377 IonicContact OD2-NE 3.36Å; D8-R377 PolarHBondContact OD2-NE 2.83Å; D8-R377 IonicContact OD2-NH2 3.78Å; D8-R377 PolarHBondContact OD2-NH2 3.1Å; D8-Y507 HydrophobicContact CB-CE2 4.03Å
9	L	96.1	Very high	91.8	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-46	175.6	172.8	67.8	0	0	0	111.1	P6 F12 C13 I380 Y507	P6-L9 WeakPolarHBondContact O-CB 3.42Å; P6-L9 PolarHBondContact O-N 2.77Å; L9-F12 CarbonylContact O-C 3.6Å; L9-F12 WeakPolarHBondContact O-CA 3.43Å; L9-F12 VanDerWaalsContact O-CB 3.29Å; L9-F12 WeakPolarHBondContact O-CB 3.42Å; L9-F12 PolarHBondContact O-N 2.94Å; L9-F12 VanDerWaalsContact O-N 3.11Å; L9-C13 PolarHBondContact O-N 3.18Å; L9-C13 PolarHBondContact O-SG 3.2Å; L9-I380 HydrophobicContact CD2-CB 4.45Å; L9-I380 HydrophobicContact CD2-CD1 4.44Å; L9-I380 HydrophobicContact CD2-CG1 4.33Å; L9-I380 HydrophobicContact CD2-CG2 3.36Å; L9-Y507 VanDerWaalsContact CA-CE2 3.45Å; L9-Y507 HydrophobicContact CB-CD1 4.45Å; L9-Y507 HydrophobicContact CB-CD2 4.29Å; L9-Y507 HydrophobicContact CB-CE1 4.05Å; L9-Y507 HydrophobicContact CB-CE2 3.88Å; L9-Y507 HydrophobicContact CD1-CD1 3.73Å; L9-Y507 HydrophobicContact CD1-CD2 4.1Å; L9-Y507 HydrophobicContact CD1-CE1 4.16Å; L9-Y507 HydrophobicContact CD1-CE2 4.5Å; L9-Y507 HydrophobicContact CD1-CG 3.68Å
10	Y	96.2	Very high	92.1	Very high	57 Å²	57	41.5 Å²	41.5	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-38.4	-177.8	-78.1	-18.1	0	0	0	112.6	P6 T7 F12 C13 D14 D382 R388	P6-Y10 HydrophobicContact CB-CD1 4.42Å; P6-Y10 HydrophobicContact CB-CD2 3.69Å; P6-Y10 HydrophobicContact CB-CE1 4.21Å; P6-Y10 HydrophobicContact CB-CE2 3.44Å; P6-Y10 VanDerWaalsContact CB-CE2 3.44Å; P6-Y10 HydrophobicContact CB-CG 4.19Å; P6-Y10 HydrophobicContact CG-CD2 3.75Å; P6-Y10 HydrophobicContact CG-CE2 3.32Å; P6-Y10 VanDerWaalsContact O-CB 3.27Å; P6-Y10 WeakPolarHBondContact O-CB 3.3Å; P6-Y10 WeakPolarHBondContact O-CD2 3.37Å; P6-Y10 VanDerWaalsContact O-CG 3.3Å; P6-Y10 PolarHBondContact O-N 3.3Å; T7-Y10 PolarHBondContact O-N 2.85Å; Y10-F12 VanDerWaalsContact C-N 3.3Å; Y10-F12 PolarHBondContact O-N 3.12Å; Y10-C13 PolarHBondContact O-N 3.05Å; Y10-D14 WeakPolarHBondContact O-CB 3.32Å; Y10-D14 PolarHBondContact O-N 2.88Å; Y10-D14 VanDerWaalsContact O-OD2 3.14Å; Y10-D382 HydrophobicContact CE1-CB 4.31Å; Y10-R388 VanDerWaalsContact CD1-NE 3.35Å; Y10-R388 VanDerWaalsContact CD2-CD 3.46Å; Y10-R388 HydrophobicContact CE1-CB 3.93Å; Y10-R388 HydrophobicContact CE2-CB 4.37Å; Y10-R388 HydrophobicContact CE2-CG 4.31Å; Y10-R388 PolarHBondContact O-NH2 3.35Å
11	R	95.2	Very high	92.3	Very high	148 Å²	148	41 Å²	41	56%	0.558	22%	0.216	S	C	*	.	H	α-helix	trans	-59.8	-42.3	167.8	-179	-177.4	177.1	-173.3	0.1	111.5	T7 D8 D14 L15	T7-R11 PolarHBondContact O-N 2.86Å; T7-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 PolarHBondContact O-N 3.06Å; R11-D14 PolarHBondContact O-N 3.36Å; R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.45Å
12	F	97.7	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-50	176.6	179.9	-99.5	0	0	0	111.7	D8 L9 Y10 D14 L15 V16 F49 F54 L55 F58 V503 V506 Y507 F510	D8-F12 WeakPolarHBondContact O-CB 3.46Å; D8-F12 PolarHBondContact O-N 2.91Å; L9-F12 CarbonylContact O-C 3.6Å; L9-F12 WeakPolarHBondContact O-CA 3.43Å; L9-F12 VanDerWaalsContact O-CB 3.29Å; L9-F12 WeakPolarHBondContact O-CB 3.42Å; L9-F12 PolarHBondContact O-N 2.94Å; L9-F12 VanDerWaalsContact O-N 3.11Å; Y10-F12 VanDerWaalsContact C-N 3.3Å; Y10-F12 PolarHBondContact O-N 3.12Å; F12-D14 VanDerWaalsContact C-N 3.27Å; F12-D14 PolarHBondContact O-N 3.46Å; F12-L15 PolarHBondContact O-N 3.33Å; F12-L15 VanDerWaalsContact O-N 3.17Å; F12-V16 HydrophobicContact CD1-CG2 4.05Å; F12-V16 HydrophobicContact CE1-CG2 3.73Å; F12-V16 HydrophobicContact CE2-CG2 4.49Å; F12-V16 HydrophobicContact CZ-CG2 3.97Å; F12-V16 WeakPolarHBondContact O-CG2 3.37Å; F12-V16 PolarHBondContact O-N 2.81Å; F12-F49 HydrophobicContact CE1-CZ 4.19Å; F12-F49 AromaticContact CZ-CE1 3.91Å; F12-F49 HydrophobicContact CZ-CE1 3.91Å; F12-F49 HydrophobicContact CZ-CZ 4.03Å; F12-F54 AromaticContact CD2-CE2 3.97Å; F12-F54 HydrophobicContact CD2-CE2 3.97Å; F12-F54 HydrophobicContact CD2-CZ 4.26Å; F12-F54 AromaticContact CE2-CE2 3.89Å; F12-F54 HydrophobicContact CE2-CE2 3.89Å; F12-F54 AromaticContact CE2-CZ 3.93Å; F12-F54 HydrophobicContact CE2-CZ 3.93Å; F12-F54 HydrophobicContact CZ-CZ 4.47Å; F12-L55 HydrophobicContact CE2-CD2 3.66Å; F12-L55 HydrophobicContact CZ-CD2 4.05Å; F12-F58 HydrophobicContact CB-CE1 4.44Å; F12-F58 HydrophobicContact CB-CE2 3.88Å; F12-F58 HydrophobicContact CB-CZ 3.67Å; F12-F58 AromaticContact CD2-CD1 3.89Å; F12-F58 HydrophobicContact CD2-CD1 3.89Å; F12-F58 AromaticContact CD2-CD2 3.98Å; F12-F58 HydrophobicContact CD2-CD2 3.98Å; F12-F58 AromaticContact CD2-CE1 3.67Å; F12-F58 HydrophobicContact CD2-CE1 3.67Å; F12-F58 AromaticContact CD2-CE2 3.77Å; F12-F58 HydrophobicContact CD2-CE2 3.77Å; F12-F58 HydrophobicContact CD2-CG 4.04Å; F12-F58 AromaticContact CD2-CZ 3.62Å; F12-F58 HydrophobicContact CD2-CZ 3.62Å; F12-F58 HydrophobicContact CE2-CD1 4.27Å; F12-F58 HydrophobicContact CE2-CE1 4.38Å; F12-F58 HydrophobicContact CE2-CG 4.48Å; F12-F58 HydrophobicContact CG-CE1 4.4Å; F12-F58 HydrophobicContact CG-CE2 4.33Å; F12-F58 HydrophobicContact CG-CZ 4.07Å; F12-V503 HydrophobicContact CD1-CG1 4.22Å; F12-V503 HydrophobicContact CE1-CG1 3.93Å; F12-V503 WeakPolarHBondContact CE1-O 3.39Å; F12-V506 HydrophobicContact CE2-CG1 4.28Å; F12-V506 HydrophobicContact CZ-CB 4.04Å; F12-V506 HydrophobicContact CZ-CG1 3.75Å; F12-Y507 HydrophobicContact CB-CD2 4.14Å; F12-Y507 HydrophobicContact CD1-CD2 4.47Å; F12-Y507 HydrophobicContact CG-CD2 4.27Å; F12-F510 HydrophobicContact CE2-CD2 4.17Å; F12-F510 AromaticContact CE2-CE2 3.93Å; F12-F510 HydrophobicContact CE2-CE2 3.93Å
13	C	97.8	Very high	94.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-37.2	177.9	-64.6	0	0	0	0	112.5	L9 Y10 V16 M17 A384	L9-C13 PolarHBondContact O-N 3.18Å; L9-C13 PolarHBondContact O-SG 3.2Å; Y10-C13 PolarHBondContact O-N 3.05Å; C13-V16 WeakPolarHBondContact O-CB 3.46Å; C13-V16 PolarHBondContact O-N 3.43Å; C13-M17 WeakPolarHBondContact O-CE 3.17Å; C13-M17 WeakPolarHBondContact O-CG 3.35Å; C13-M17 PolarHBondContact O-N 2.95Å; C13-A384 WeakPolarHBondContact CB-O 3.39Å
14	D	96.3	Very high	95.3	Very high	31 Å²	31	44.7 Å²	44.7	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-47.2	176.2	-69	-20.8	0	0	0	111.4	Y10 R11 F12 V16 M17 E18 R388 M401	Y10-D14 WeakPolarHBondContact O-CB 3.32Å; Y10-D14 PolarHBondContact O-N 2.88Å; Y10-D14 VanDerWaalsContact O-OD2 3.14Å; R11-D14 PolarHBondContact O-N 3.36Å; F12-D14 VanDerWaalsContact C-N 3.27Å; F12-D14 PolarHBondContact O-N 3.46Å; D14-V16 VanDerWaalsContact C-N 3.32Å; D14-V16 PolarHBondContact O-N 2.82Å; D14-M17 PolarHBondContact O-N 2.83Å; D14-M17 WeakPolarHBondContact OD1-CE 3.47Å; D14-E18 WeakPolarHBondContact O-CG 3.33Å; D14-E18 PolarHBondContact O-N 3.07Å; D14-R388 IonicContact OD1-CZ 3.93Å; D14-R388 IonicContact OD1-NH1 2.76Å; D14-R388 PolarHBondContact OD1-NH1 3.11Å; D14-R388 IonicContact OD1-NH2 2.81Å; D14-R388 PolarHBondContact OD1-NH2 2.93Å; D14-R388 IonicContact OD2-CZ 3.02Å; D14-R388 IonicContact OD2-NH1 2.91Å; D14-R388 PolarHBondContact OD2-NH1 3.2Å; D14-R388 IonicContact OD2-NH2 3.88Å; D14-M401 HydrophobicContact CB-CE 3.41Å; D14-M401 VanDerWaalsContact CB-CE 3.41Å; D14-M401 WeakPolarHBondContact OD1-CE 3.47Å
15	L	97.5	Very high	95.6	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-63	-37.1	175.4	-66.9	169.3	0	0	0	112.5	R11 F12 S19 F54 F58	R11-L15 WeakPolarHBondContact O-CG 3.41Å; R11-L15 PolarHBondContact O-N 3.45Å; F12-L15 PolarHBondContact O-N 3.33Å; F12-L15 VanDerWaalsContact O-N 3.17Å; L15-S19 WeakPolarHBondContact O-CB 3.28Å; L15-S19 PolarHBondContact O-N 3.04Å; L15-F54 HydrophobicContact CB-CD1 4.28Å; L15-F54 HydrophobicContact CB-CD2 3.76Å; L15-F54 HydrophobicContact CB-CE1 4.17Å; L15-F54 HydrophobicContact CB-CE2 3.64Å; L15-F54 HydrophobicContact CB-CG 4.09Å; L15-F54 HydrophobicContact CB-CZ 3.86Å; L15-F54 HydrophobicContact CD1-CD2 3.79Å; L15-F54 HydrophobicContact CD1-CE2 3.99Å; L15-F54 HydrophobicContact CG-CD2 4.32Å; L15-F54 HydrophobicContact CG-CE2 4.47Å; L15-F58 HydrophobicContact CD1-CD2 3.93Å; L15-F58 HydrophobicContact CD1-CE2 4.24Å
16	V	98.1	Very high	95.5	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-51	175	171	0	0	0	0	110.6	F12 C13 D14 E18 S19 V20 F49 M52 F54 W499 V503	F12-V16 HydrophobicContact CD1-CG2 4.05Å; F12-V16 HydrophobicContact CE1-CG2 3.73Å; F12-V16 HydrophobicContact CE2-CG2 4.49Å; F12-V16 HydrophobicContact CZ-CG2 3.97Å; F12-V16 WeakPolarHBondContact O-CG2 3.37Å; F12-V16 PolarHBondContact O-N 2.81Å; C13-V16 WeakPolarHBondContact O-CB 3.46Å; C13-V16 PolarHBondContact O-N 3.43Å; D14-V16 VanDerWaalsContact C-N 3.32Å; D14-V16 PolarHBondContact O-N 2.82Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.37Å; V16-S19 PolarHBondContact O-N 3.44Å; V16-S19 VanDerWaalsContact O-N 3.16Å; V16-V20 HydrophobicContact CG1-CG2 4.47Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.35Å; V16-F49 HydrophobicContact CG1-CE2 4.05Å; V16-F49 HydrophobicContact CG1-CZ 4.08Å; V16-F49 HydrophobicContact CG2-CE1 4.42Å; V16-F49 HydrophobicContact CG2-CE2 4.41Å; V16-F49 HydrophobicContact CG2-CZ 3.62Å; V16-M52 HydrophobicContact CG1-CE 4.13Å; V16-M52 HydrophobicContact CG1-SD 4.33Å; V16-F54 HydrophobicContact CG2-CE1 4.18Å; V16-F54 HydrophobicContact CG2-CZ 3.72Å; V16-W499 HydrophobicContact CG1-CZ2 3.83Å; V16-V503 HydrophobicContact CG1-CG2 4.2Å; V16-V503 HydrophobicContact CG2-CG1 4.5Å
17	M	96.8	Very high	95.6	Very high	5 Å²	5	52 Å²	52	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-42.1	179.9	-74.8	-174.6	-73.5	0	0	112	C13 D14 S19 V20 V21 L389 M401 L404	C13-M17 WeakPolarHBondContact O-CE 3.17Å; C13-M17 WeakPolarHBondContact O-CG 3.35Å; C13-M17 PolarHBondContact O-N 2.95Å; D14-M17 PolarHBondContact O-N 2.83Å; D14-M17 WeakPolarHBondContact OD1-CE 3.47Å; M17-S19 VanDerWaalsContact C-N 3.34Å; M17-S19 PolarHBondContact O-N 2.72Å; M17-V20 PolarHBondContact O-N 3.13Å; M17-V21 PolarHBondContact O-N 3.02Å; M17-V21 VanDerWaalsContact O-N 3.16Å; M17-L389 HydrophobicContact SD-CD2 3.84Å; M17-M401 HydrophobicContact CE-CE 4.16Å; M17-M401 HydrophobicContact CE-CG 4.16Å; M17-M401 HydrophobicContact CE-SD 4.5Å; M17-M401 HydrophobicContact SD-CG 4.39Å; M17-L404 HydrophobicContact CB-CD1 3.87Å; M17-L404 HydrophobicContact CG-CD1 3.93Å
18	E	96.3	Very high	95.6	Very high	74 Å²	74	49.4 Å²	49.4	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-43.1	174.3	-73.2	176.7	178.8	0	0	112	D14 V16 V21 K22	D14-E18 WeakPolarHBondContact O-CG 3.33Å; D14-E18 PolarHBondContact O-N 3.07Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.37Å; E18-V21 PolarHBondContact O-N 3.31Å; E18-K22 WeakPolarHBondContact O-CB 3.2Å; E18-K22 PolarHBondContact O-N 3.23Å
19	S	97.2	Very high	95.4	Very high	11 Å²	11	52.6 Å²	52.6	8%	0.077	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-38.9	178.3	-162	0	0	0	0	112.2	L15 V16 M17 K22 M23 M52	L15-S19 WeakPolarHBondContact O-CB 3.28Å; L15-S19 PolarHBondContact O-N 3.04Å; V16-S19 PolarHBondContact O-N 3.44Å; V16-S19 VanDerWaalsContact O-N 3.16Å; M17-S19 VanDerWaalsContact C-N 3.34Å; M17-S19 PolarHBondContact O-N 2.72Å; S19-K22 PolarHBondContact O-N 3.44Å; S19-M23 VanDerWaalsContact O-CB 3.27Å; S19-M23 WeakPolarHBondContact O-CB 3.31Å; S19-M23 WeakPolarHBondContact O-CG 3.47Å; S19-M23 PolarHBondContact O-N 2.82Å; S19-M23 PolarHBondContact OG-SD 3.32Å; S19-M23 VanDerWaalsContact OG-SD 3.33Å; S19-M52 WeakPolarHBondContact OG-CB 3.36Å; S19-M52 WeakPolarHBondContact OG-CG 3.49Å
20	V	97.6	Very high	95.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-52.1	174.8	169.7	0	0	0	0	110	V16 M17 K22 M23 S24 L33 M52 W499	V16-V20 HydrophobicContact CG1-CG2 4.47Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.35Å; M17-V20 PolarHBondContact O-N 3.13Å; V20-K22 VanDerWaalsContact C-N 3.35Å; V20-K22 PolarHBondContact O-N 3.36Å; V20-M23 PolarHBondContact O-N 3.36Å; V20-S24 VanDerWaalsContact O-CB 3.26Å; V20-S24 WeakPolarHBondContact O-CB 3.47Å; V20-S24 PolarHBondContact O-N 3.31Å; V20-S24 VanDerWaalsContact O-N 3.17Å; V20-S24 PolarHBondContact O-OG 2.86Å; V20-L33 HydrophobicContact CG2-CD2 4.37Å; V20-L33 HydrophobicContact CG2-CG 4.4Å; V20-M52 HydrophobicContact CG2-CE 3.66Å; V20-W499 HydrophobicContact CG2-CH2 3.93Å; V20-W499 HydrophobicContact CG2-CZ2 3.6Å
21	V	96.1	Very high	95.3	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.188	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-42.1	-179.2	174.9	0	0	0	0	111.5	M17 E18 M23 S24 K403 L404	M17-V21 PolarHBondContact O-N 3.02Å; M17-V21 VanDerWaalsContact O-N 3.16Å; E18-V21 PolarHBondContact O-N 3.31Å; V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 2.87Å; V21-S24 PolarHBondContact O-N 2.83Å; V21-K403 HydrophobicContact CG1-CD 4.24Å; V21-K403 HydrophobicContact CG2-CD 4.45Å; V21-L404 HydrophobicContact CG2-CD1 4.02Å; V21-L404 HydrophobicContact CG2-CD2 3.95Å; V21-L404 HydrophobicContact CG2-CG 3.83Å
22	K	95.6	Very high	95.4	Very high	184 Å²	184	45.1 Å²	45.1	80%	0.8	25%	0.247	S	C	*	.	H	α-helix	trans	-65.9	-34.1	-179.9	-176.1	177.7	178.3	179.4	0	113.4	E18 S19 V20	E18-K22 WeakPolarHBondContact O-CB 3.2Å; E18-K22 PolarHBondContact O-N 3.23Å; S19-K22 PolarHBondContact O-N 3.44Å; V20-K22 VanDerWaalsContact C-N 3.35Å; V20-K22 PolarHBondContact O-N 3.36Å
23	M	96.7	Very high	95.4	Very high	75 Å²	75	45.3 Å²	45.3	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-92.1	1.1	-177.4	-65.6	175.7	68	0	0	113.3	S19 V20 V21 L33 M52	S19-M23 VanDerWaalsContact O-CB 3.27Å; S19-M23 WeakPolarHBondContact O-CB 3.31Å; S19-M23 WeakPolarHBondContact O-CG 3.47Å; S19-M23 PolarHBondContact O-N 2.82Å; S19-M23 PolarHBondContact OG-SD 3.32Å; S19-M23 VanDerWaalsContact OG-SD 3.33Å; V20-M23 PolarHBondContact O-N 3.36Å; V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 2.87Å; M23-L33 HydrophobicContact CB-CD2 3.83Å; M23-L33 HydrophobicContact CE-CD2 4.26Å; M23-L33 HydrophobicContact SD-CD2 4.06Å; M23-M52 HydrophobicContact SD-CB 4.37Å; M23-M52 HydrophobicContact SD-CG 3.97Å
24	S	96.3	Very high	95.4	Very high	16 Å²	16	46.9 Å²	46.9	11%	0.112	26%	0.258	C	S	.	.	S	Bend	trans	-107	147.9	-177.7	-59.9	0	0	0	0	111.4	V20 V21 Y28 P34	V20-S24 VanDerWaalsContact O-CB 3.26Å; V20-S24 WeakPolarHBondContact O-CB 3.47Å; V20-S24 PolarHBondContact O-N 3.31Å; V20-S24 VanDerWaalsContact O-N 3.17Å; V20-S24 PolarHBondContact O-OG 2.86Å; V21-S24 PolarHBondContact O-N 2.83Å; S24-Y28 WeakPolarHBondContact OG-CD1 3.32Å; S24-P34 VanDerWaalsContact OG-CD 3.3Å; S24-P34 WeakPolarHBondContact OG-CD 3.13Å
25	P	94.7	Very high	95.3	Very high	67 Å²	67	46.6 Å²	46.6	44%	0.435	26%	0.263	S	S	.	.			trans	-64.1	156.6	172.2	26.7	-30.9	0	0	0	110.6	S27 Y28	P25-S27 PolarHBondContact O-N 2.87Å; P25-S27 VanDerWaalsContact O-N 3.1Å; P25-Y28 WeakPolarHBondContact O-CB 3.26Å; P25-Y28 PolarHBondContact O-N 2.83Å
26	P	89.2	Confident	95.4	Very high	121 Å²	121	44.4 Å²	44.4	79%	0.786	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.5	-174.4	-28.9	35.8	0	0	0	114.9	Y28 K403	P26-Y28 VanDerWaalsContact C-N 3.27Å; P26-Y28 PolarHBondContact O-N 3.49Å; P26-K403 PolarHBondContact O-NZ 3.06Å
27	S	90.9	Very high	95.3	Very high	105 Å²	105	49 Å²	49	73%	0.734	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.7	179.8	59.7	0	0	0	0	114.9	P25	P25-S27 PolarHBondContact O-N 2.87Å; P25-S27 VanDerWaalsContact O-N 3.1Å
28	Y	92.7	Very high	95.2	Very high	37 Å²	37	54.8 Å²	54.8	15%	0.145	30%	0.299	C	S	.	.			trans	-93.6	118.1	-176.6	-175.5	-83.1	0	0	0	110.5	S24 P25 P26 L30 W32 L33 P34 K403	S24-Y28 WeakPolarHBondContact OG-CD1 3.32Å; P25-Y28 WeakPolarHBondContact O-CB 3.26Å; P25-Y28 PolarHBondContact O-N 2.83Å; P26-Y28 VanDerWaalsContact C-N 3.27Å; P26-Y28 PolarHBondContact O-N 3.49Å; Y28-L30 HydrophobicContact CE1-CB 3.77Å; Y28-L30 WeakPolarHBondContact CE1-O 3.27Å; Y28-L30 HydrophobicContact CE2-CB 4.44Å; Y28-L30 HydrophobicContact CE2-CD1 4.13Å; Y28-W32 WeakPolarHBondContact CE1-O 3.46Å; Y28-W32 VanDerWaalsContact CZ-O 3.29Å; Y28-W32 PolarHBondContact OH-O 2.9Å; Y28-L33 PolarHBondContact OH-O 2.82Å; Y28-P34 HydrophobicContact CD1-CG 4.03Å; Y28-P34 HydrophobicContact CD2-CB 4.21Å; Y28-P34 HydrophobicContact CD2-CG 3.94Å; Y28-P34 HydrophobicContact CE1-CG 3.92Å; Y28-P34 HydrophobicContact CE2-CB 3.83Å; Y28-P34 HydrophobicContact CE2-CG 3.82Å; Y28-P34 HydrophobicContact CG-CG 4.03Å; Y28-K403 PolarHBondContact O-NZ 3.19Å
29	D	88.9	Confident	95.1	Very high	84 Å²	84	52 Å²	52	45%	0.449	29%	0.288	S	S	.	.			trans	-119.1	9.9	-168.2	-63.9	-24.1	0	0	0	113.5	K403	D29-K403 WeakPolarHBondContact OD1-CE 3.47Å; D29-K403 IonicContact OD1-NZ 2.73Å; D29-K403 PolarHBondContact OD1-NZ 3.37Å
30	L	94.8	Very high	94.6	Very high	41 Å²	41	59.9 Å²	59.9	22%	0.215	32%	0.321	C	S	.	.			trans	-84.6	149.2	177.5	-58.7	175.1	0	0	0	111.2	Y28 W32 F407	Y28-L30 HydrophobicContact CE1-CB 3.77Å; Y28-L30 WeakPolarHBondContact CE1-O 3.27Å; Y28-L30 HydrophobicContact CE2-CB 4.44Å; Y28-L30 HydrophobicContact CE2-CD1 4.13Å; L30-W32 HydrophobicContact CB-CD2 4.29Å; L30-W32 HydrophobicContact CB-CZ2 4.18Å; L30-W32 HydrophobicContact CD1-CZ2 3.97Å; L30-W32 HydrophobicContact CD2-CZ2 4.08Å; L30-W32 HydrophobicContact CG-CZ2 4.3Å; L30-W32 PolarHBondContact O-N 2.9Å; L30-F407 HydrophobicContact CD2-CD2 4Å; L30-F407 HydrophobicContact CD2-CE2 3.55Å; L30-F407 HydrophobicContact CD2-CZ 4.14Å
31	P	95.5	Very high	94.2	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.013	33%	0.33	C	S	.	.	S	Bend	trans	-82.7	13.2	-175.3	34.5	-36.1	0	0	0	114.6	W386 F407 I408 W499	P31-W386 HydrophobicContact CB-CH2 4.44Å; P31-W386 HydrophobicContact CB-CZ2 3.76Å; P31-W386 HydrophobicContact CG-CH2 3.86Å; P31-W386 HydrophobicContact CG-CZ2 3.68Å; P31-F407 HydrophobicContact CG-CD1 3.69Å; P31-F407 HydrophobicContact CG-CE1 3.85Å; P31-I408 HydrophobicContact CB-CD1 4.13Å; P31-I408 HydrophobicContact CB-CG1 4.25Å; P31-I408 HydrophobicContact CG-CG1 4.43Å; P31-W499 PolarHBondContact O-NE1 2.77Å
32	W	97.1	Very high	94	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.038	32%	0.323	C	S	.	.	S	Bend	trans	-127.9	161.1	177.1	47.9	81.2	0	0	0	111.8	Y28 L30 F36 W386 F407 T495 W499	Y28-W32 WeakPolarHBondContact CE1-O 3.46Å; Y28-W32 VanDerWaalsContact CZ-O 3.29Å; Y28-W32 PolarHBondContact OH-O 2.9Å; L30-W32 HydrophobicContact CB-CD2 4.29Å; L30-W32 HydrophobicContact CB-CZ2 4.18Å; L30-W32 HydrophobicContact CD1-CZ2 3.97Å; L30-W32 HydrophobicContact CD2-CZ2 4.08Å; L30-W32 HydrophobicContact CG-CZ2 4.3Å; L30-W32 PolarHBondContact O-N 2.9Å; W32-F36 HydrophobicContact CB-CB 4.4Å; W32-F36 HydrophobicContact CB-CD1 4.22Å; W32-F36 HydrophobicContact CB-CG 4.42Å; W32-F36 HydrophobicContact CG-CD1 4.28Å; W32-W386 HydrophobicContact CZ3-CH2 4.41Å; W32-F407 HydrophobicContact CH2-CE1 4.15Å; W32-F407 AromaticContact CH2-CZ 3.87Å; W32-F407 HydrophobicContact CH2-CZ 3.87Å; W32-F407 HydrophobicContact CZ3-CE1 4.17Å; W32-F407 HydrophobicContact CZ3-CZ 4.36Å; W32-T495 HydrophobicContact CD2-CG2 3.93Å; W32-T495 HydrophobicContact CE3-CG2 4.42Å; W32-T495 HydrophobicContact CG-CG2 4.35Å; W32-T495 HydrophobicContact CH2-CG2 4.37Å; W32-T495 HydrophobicContact CZ2-CG2 3.84Å; W32-W499 HydrophobicContact CB-CB 4.17Å; W32-W499 HydrophobicContact CB-CD2 3.26Å; W32-W499 HydrophobicContact CB-CE3 3.29Å; W32-W499 HydrophobicContact CB-CG 3.66Å; W32-W499 HydrophobicContact CB-CH2 4.16Å; W32-W499 HydrophobicContact CB-CZ2 4.16Å; W32-W499 HydrophobicContact CB-CZ3 3.75Å; W32-W499 HydrophobicContact CE3-CB 4.17Å; W32-W499 HydrophobicContact CE3-CG 4.34Å
33	L	97.6	Very high	93.8	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	29%	0.294	C	S	.	.			trans	-61.5	142	-179.5	-73.4	173.2	0	0	0	112.7	V20 M23 Y28 G35 F36 K48 M52 W499	V20-L33 HydrophobicContact CG2-CD2 4.37Å; V20-L33 HydrophobicContact CG2-CG 4.4Å; M23-L33 HydrophobicContact CB-CD2 3.83Å; M23-L33 HydrophobicContact CE-CD2 4.26Å; M23-L33 HydrophobicContact SD-CD2 4.06Å; Y28-L33 PolarHBondContact OH-O 2.82Å; L33-G35 PolarHBondContact O-N 3.06Å; L33-F36 WeakPolarHBondContact O-CB 3.36Å; L33-F36 PolarHBondContact O-N 3.49Å; L33-F36 VanDerWaalsContact O-N 3.08Å; L33-K48 HydrophobicContact CB-CG 4.49Å; L33-K48 HydrophobicContact CD1-CG 4.43Å; L33-K48 WeakPolarHBondContact CD1-O 3.49Å; L33-M52 HydrophobicContact CD1-CE 3.56Å; L33-M52 HydrophobicContact CD1-CG 4.05Å; L33-M52 HydrophobicContact CD2-CE 3.91Å; L33-M52 HydrophobicContact CG-CE 3.53Å; L33-W499 HydrophobicContact CB-CH2 4.45Å; L33-W499 HydrophobicContact CB-CZ3 4.47Å; L33-W499 HydrophobicContact CG-CH2 4.08Å
34	P	96.7	Very high	93.5	Very high	34 Å²	34	54.1 Å²	54.1	22%	0.221	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132	171.4	-19.7	28.9	0	0	0	110.1	S24 Y28 K48	S24-P34 VanDerWaalsContact OG-CD 3.3Å; S24-P34 WeakPolarHBondContact OG-CD 3.13Å; Y28-P34 HydrophobicContact CD1-CG 4.03Å; Y28-P34 HydrophobicContact CD2-CB 4.21Å; Y28-P34 HydrophobicContact CD2-CG 3.94Å; Y28-P34 HydrophobicContact CE1-CG 3.92Å; Y28-P34 HydrophobicContact CE2-CB 3.83Å; Y28-P34 HydrophobicContact CE2-CG 3.82Å; Y28-P34 HydrophobicContact CG-CG 4.03Å; P34-K48 WeakPolarHBondContact O-CE 3.43Å; P34-K48 PolarHBondContact O-NZ 2.97Å
35	G	95.9	Very high	93.5	Very high	26 Å²	26	54 Å²	54	27%	0.268	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-3.9	-173.8	0	0	0	0	0	114.6	L33 E38 C39	L33-G35 PolarHBondContact O-N 3.06Å; G35-E38 WeakPolarHBondContact CA-OE2 3.43Å; G35-E38 PolarHBondContact N-OE2 3.16Å; G35-C39 PolarHBondContact O-SG 3.37Å; G35-C39 VanDerWaalsContact O-SG 3.38Å
36	F	97.7	Very high	93.6	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	27%	0.271	C	S	.	.	S	Bend	trans	-76.7	-31.3	179.4	-175.9	-96.5	0	0	0	112.7	W32 L33 E38 C39 R45 K48 T495 L498 W499 T502	W32-F36 HydrophobicContact CB-CB 4.4Å; W32-F36 HydrophobicContact CB-CD1 4.22Å; W32-F36 HydrophobicContact CB-CG 4.42Å; W32-F36 HydrophobicContact CG-CD1 4.28Å; L33-F36 WeakPolarHBondContact O-CB 3.36Å; L33-F36 PolarHBondContact O-N 3.49Å; L33-F36 VanDerWaalsContact O-N 3.08Å; F36-E38 PolarHBondContact N-OE2 3.3Å; F36-E38 PolarHBondContact O-N 2.95Å; F36-C39 WeakPolarHBondContact O-CB 3.15Å; F36-C39 PolarHBondContact O-N 2.8Å; F36-R45 HydrophobicContact CD2-CG 4.47Å; F36-R45 HydrophobicContact CE2-CB 3.66Å; F36-R45 HydrophobicContact CE2-CG 3.73Å; F36-R45 HydrophobicContact CZ-CB 4.13Å; F36-R45 HydrophobicContact CZ-CG 3.88Å; F36-K48 HydrophobicContact CD2-CG 4.48Å; F36-T495 HydrophobicContact CD1-CG2 3.73Å; F36-T495 HydrophobicContact CE1-CG2 4.07Å; F36-L498 HydrophobicContact CE1-CB 4.25Å; F36-L498 HydrophobicContact CZ-CB 4.42Å; F36-W499 HydrophobicContact CD1-CB 4.44Å; F36-W499 AromaticContact CD1-CE3 3.92Å; F36-W499 HydrophobicContact CD1-CE3 3.92Å; F36-W499 AromaticContact CD2-CE3 3.7Å; F36-W499 HydrophobicContact CD2-CE3 3.7Å; F36-W499 AromaticContact CD2-CZ3 3.82Å; F36-W499 HydrophobicContact CD2-CZ3 3.82Å; F36-W499 HydrophobicContact CE1-CB 3.82Å; F36-W499 AromaticContact CE1-CE3 3.93Å; F36-W499 HydrophobicContact CE1-CE3 3.93Å; F36-W499 AromaticContact CE2-CE3 3.69Å; F36-W499 HydrophobicContact CE2-CE3 3.69Å; F36-W499 HydrophobicContact CE2-CZ3 4.1Å; F36-W499 AromaticContact CG-CE3 3.81Å; F36-W499 HydrophobicContact CG-CE3 3.81Å; F36-W499 HydrophobicContact CG-CZ3 4.12Å; F36-W499 HydrophobicContact CZ-CB 4.25Å; F36-W499 AromaticContact CZ-CE3 3.82Å; F36-W499 HydrophobicContact CZ-CE3 3.82Å; F36-T502 HydrophobicContact CE2-CG2 4.16Å
37	E	96.2	Very high	93.8	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.5	179.3	-74.5	172.7	123.7	0	0	112.4	C39 T495	E37-C39 VanDerWaalsContact C-N 3.33Å; E37-T495 HydrophobicContact CB-CG2 4.48Å; E37-T495 HydrophobicContact CG-CG2 3.4Å; E37-T495 VanDerWaalsContact CG-CG2 3.4Å
38	E	95.4	Very high	94	Very high	126 Å²	126	49.6 Å²	49.6	59%	0.589	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.2	-179	-59.1	87	157	0	0	112.4	G35 F36 K40	G35-E38 WeakPolarHBondContact CA-OE2 3.43Å; G35-E38 PolarHBondContact N-OE2 3.16Å; F36-E38 PolarHBondContact N-OE2 3.3Å; F36-E38 PolarHBondContact O-N 2.95Å; E38-K40 PolarHBondContact O-N 3.39Å
39	C	93.5	Very high	94.3	Very high	17 Å²	17	47.9 Å²	47.9	12%	0.115	23%	0.233	C	C	.	.			trans	-72	117.7	178.4	-64.6	0	0	0	0	110.7	G35 F36 E37 E44 R45	G35-C39 PolarHBondContact O-SG 3.37Å; G35-C39 VanDerWaalsContact O-SG 3.38Å; F36-C39 WeakPolarHBondContact O-CB 3.15Å; F36-C39 PolarHBondContact O-N 2.8Å; E37-C39 VanDerWaalsContact C-N 3.33Å; C39-E44 HydrophobicContact CB-CB 3.92Å; C39-R45 HydrophobicContact CB-CG 3.58Å; C39-R45 PolarHBondContact O-NH2 3.02Å
40	K	88	Confident	94.6	Very high	176 Å²	176	46.2 Å²	46.2	77%	0.765	22%	0.223	S	C	*	.			trans	-88.9	-32.5	-177.6	-61.1	-177.3	-178.8	178.9	0	112.2	E38 E44 R45	E38-K40 PolarHBondContact O-N 3.39Å; K40-E44 WeakPolarHBondContact CA-OE2 3.46Å; K40-E44 PolarHBondContact N-OE2 3.37Å; K40-R45 PolarHBondContact O-NH2 3.34Å
41	T	88.2	Confident	94.7	Very high	33 Å²	33	46.9 Å²	46.9	20%	0.202	23%	0.232	C	C	.	.	S	Bend	trans	-111.7	160.1	-177.3	70.2	0	0	0	0	112.6	Y43 E44 R45 F466	T41-Y43 VanDerWaalsContact C-N 3.27Å; T41-Y43 PolarHBondContact O-N 3.02Å; T41-E44 PolarHBondContact N-OE2 3.07Å; T41-E44 VanDerWaalsContact N-OE2 3.12Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-E44 WeakPolarHBondContact OG1-CB 3.29Å; T41-E44 VanDerWaalsContact OG1-CG 3.26Å; T41-E44 WeakPolarHBondContact OG1-CG 3.38Å; T41-E44 PolarHBondContact OG1-N 3.49Å; T41-E44 VanDerWaalsContact OG1-N 3.13Å; T41-R45 WeakPolarHBondContact O-CG 3.34Å; T41-R45 PolarHBondContact O-N 2.96Å; T41-R45 VanDerWaalsContact O-N 3.16Å; T41-F466 WeakPolarHBondContact CG2-O 3.32Å
42	D	93.1	Very high	94.8	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-35.3	174.6	-69.7	-25.9	0	0	0	111.2	R45 I46 T540 L543 H544 Q547	D42-R45 WeakPolarHBondContact O-CB 3.14Å; D42-R45 PolarHBondContact O-N 3.46Å; D42-R45 IonicContact OD1-CZ 3.48Å; D42-R45 IonicContact OD1-NH1 3.52Å; D42-R45 PolarHBondContact OD1-NH1 2.99Å; D42-I46 WeakPolarHBondContact O-CG1 3.32Å; D42-I46 PolarHBondContact O-N 3.48Å; D42-T540 HydrophobicContact CB-CG2 4.07Å; D42-L543 HydrophobicContact CB-CD2 3.88Å; D42-L543 HydrophobicContact CB-CG 4.14Å; D42-H544 WeakPolarHBondContact OD2-CA 3.4Å; D42-Q547 PolarHBondContact OD1-NE2 3.07Å; D42-Q547 PolarHBondContact OD2-NE2 3.26Å
43	Y	90.8	Very high	94.7	Very high	48 Å²	48	50.5 Å²	50.5	19%	0.188	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-42.4	175.7	-176.2	-99.9	0	0	0	112.4	T41 I46 K47 F466 N536 W537	T41-Y43 VanDerWaalsContact C-N 3.27Å; T41-Y43 PolarHBondContact O-N 3.02Å; Y43-I46 PolarHBondContact O-N 2.93Å; Y43-K47 HydrophobicContact CE1-CD 4.26Å; Y43-K47 WeakPolarHBondContact O-CB 3.37Å; Y43-K47 PolarHBondContact O-N 3.25Å; Y43-F466 HydrophobicContact CD1-CE2 4.14Å; Y43-F466 HydrophobicContact CG-CD2 4.23Å; Y43-F466 HydrophobicContact CG-CE2 4.25Å; Y43-N536 HydrophobicContact CE2-CB 4.36Å; Y43-W537 HydrophobicContact CD2-CD2 4.04Å; Y43-W537 AromaticContact CD2-CE3 3.8Å; Y43-W537 HydrophobicContact CD2-CE3 3.8Å; Y43-W537 AromaticContact CD2-CH2 3.75Å; Y43-W537 HydrophobicContact CD2-CH2 3.75Å; Y43-W537 AromaticContact CD2-CZ2 3.94Å; Y43-W537 HydrophobicContact CD2-CZ2 3.94Å; Y43-W537 AromaticContact CD2-CZ3 3.66Å; Y43-W537 HydrophobicContact CD2-CZ3 3.66Å; Y43-W537 AromaticContact CE2-CD2 3.86Å; Y43-W537 HydrophobicContact CE2-CD2 3.86Å; Y43-W537 AromaticContact CE2-CE2 3.57Å; Y43-W537 HydrophobicContact CE2-CE3 4.12Å; Y43-W537 AromaticContact CE2-CH2 3.91Å; Y43-W537 HydrophobicContact CE2-CH2 3.91Å; Y43-W537 AromaticContact CE2-CZ2 3.6Å; Y43-W537 HydrophobicContact CE2-CZ2 3.6Å; Y43-W537 HydrophobicContact CE2-CZ3 4.15Å; Y43-W537 HydrophobicContact CG-CH2 4.21Å; Y43-W537 HydrophobicContact CG-CZ3 4.26Å
44	E	91.6	Very high	94.6	Very high	81 Å²	81	52 Å²	52	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-43.8	175.3	-75.4	167.3	178.5	0	0	111.6	C39 K40 T41 I46 K47 K48	C39-E44 HydrophobicContact CB-CB 3.92Å; K40-E44 WeakPolarHBondContact CA-OE2 3.46Å; K40-E44 PolarHBondContact N-OE2 3.37Å; T41-E44 PolarHBondContact N-OE2 3.07Å; T41-E44 VanDerWaalsContact N-OE2 3.12Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-E44 WeakPolarHBondContact OG1-CB 3.29Å; T41-E44 VanDerWaalsContact OG1-CG 3.26Å; T41-E44 WeakPolarHBondContact OG1-CG 3.38Å; T41-E44 PolarHBondContact OG1-N 3.49Å; T41-E44 VanDerWaalsContact OG1-N 3.13Å; E44-I46 VanDerWaalsContact C-N 3.34Å; E44-I46 PolarHBondContact O-N 3.06Å; E44-K47 PolarHBondContact O-N 2.93Å; E44-K48 VanDerWaalsContact O-CB 3.29Å; E44-K48 WeakPolarHBondContact O-CB 3.31Å; E44-K48 PolarHBondContact O-N 2.69Å
45	R	95.8	Very high	94.6	Very high	14 Å²	14	50.7 Å²	50.7	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-46.3	175.5	-69.4	174.1	-166.8	117.6	11.3	111.4	F36 C39 K40 T41 D42 K48 F49 S490 L543	F36-R45 HydrophobicContact CD2-CG 4.47Å; F36-R45 HydrophobicContact CE2-CB 3.66Å; F36-R45 HydrophobicContact CE2-CG 3.73Å; F36-R45 HydrophobicContact CZ-CB 4.13Å; F36-R45 HydrophobicContact CZ-CG 3.88Å; C39-R45 HydrophobicContact CB-CG 3.58Å; C39-R45 PolarHBondContact O-NH2 3.02Å; K40-R45 PolarHBondContact O-NH2 3.34Å; T41-R45 WeakPolarHBondContact O-CG 3.34Å; T41-R45 PolarHBondContact O-N 2.96Å; T41-R45 VanDerWaalsContact O-N 3.16Å; D42-R45 WeakPolarHBondContact O-CB 3.14Å; D42-R45 PolarHBondContact O-N 3.46Å; D42-R45 IonicContact OD1-CZ 3.48Å; D42-R45 IonicContact OD1-NH1 3.52Å; D42-R45 PolarHBondContact OD1-NH1 2.99Å; R45-K48 PolarHBondContact O-N 3.07Å; R45-F49 WeakPolarHBondContact O-CB 3.48Å; R45-F49 PolarHBondContact O-N 3.1Å; R45-S490 PolarHBondContact NH1-OG 3.23Å; R45-L543 HydrophobicContact CB-CD2 4.13Å
46	I	96	Very high	94.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-50.3	176.1	-67.3	-57.4	0	0	0	111.1	D42 Y43 E44 K48 F49 M50 T502 T505 V506 N536 L543	D42-I46 WeakPolarHBondContact O-CG1 3.32Å; D42-I46 PolarHBondContact O-N 3.48Å; Y43-I46 PolarHBondContact O-N 2.93Å; E44-I46 VanDerWaalsContact C-N 3.34Å; E44-I46 PolarHBondContact O-N 3.06Å; I46-K48 PolarHBondContact O-N 3.3Å; I46-F49 WeakPolarHBondContact O-CB 3.23Å; I46-F49 PolarHBondContact O-N 2.78Å; I46-F49 VanDerWaalsContact O-N 3.09Å; I46-M50 HydrophobicContact CG2-CG 3.89Å; I46-M50 WeakPolarHBondContact O-CB 3.5Å; I46-M50 WeakPolarHBondContact O-CG 3.19Å; I46-M50 PolarHBondContact O-N 3.14Å; I46-T502 HydrophobicContact CD1-CG2 4.08Å; I46-T505 HydrophobicContact CD1-CG2 3.79Å; I46-V506 HydrophobicContact CD1-CG2 4.04Å; I46-N536 HydrophobicContact CG2-CB 4.15Å; I46-L543 HydrophobicContact CD1-CB 4.47Å; I46-L543 HydrophobicContact CD1-CD2 4.03Å; I46-L543 HydrophobicContact CG1-CD2 4.11Å
47	K	93.1	Very high	94	Very high	132 Å²	132	68.1 Å²	68.1	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-57.7	-40.8	179.7	-173.1	176.4	-178.5	175.5	0	111.4	Y43 E44 M50 S51	Y43-K47 HydrophobicContact CE1-CD 4.26Å; Y43-K47 WeakPolarHBondContact O-CB 3.37Å; Y43-K47 PolarHBondContact O-N 3.25Å; E44-K47 PolarHBondContact O-N 2.93Å; K47-M50 PolarHBondContact O-N 3.29Å; K47-S51 PolarHBondContact O-N 3.26Å
48	K	96.2	Very high	93.9	Very high	68 Å²	68	64 Å²	64	30%	0.296	30%	0.299	S	S	.	.	H	α-helix	trans	-62.7	-48.3	175.1	-175	61.5	173.7	-172.2	0	111.3	L33 P34 F36 E44 R45 I46 M50 S51	L33-K48 HydrophobicContact CB-CG 4.49Å; L33-K48 HydrophobicContact CD1-CG 4.43Å; L33-K48 WeakPolarHBondContact CD1-O 3.49Å; P34-K48 WeakPolarHBondContact O-CE 3.43Å; P34-K48 PolarHBondContact O-NZ 2.97Å; F36-K48 HydrophobicContact CD2-CG 4.48Å; E44-K48 VanDerWaalsContact O-CB 3.29Å; E44-K48 WeakPolarHBondContact O-CB 3.31Å; E44-K48 PolarHBondContact O-N 2.69Å; R45-K48 PolarHBondContact O-N 3.07Å; I46-K48 PolarHBondContact O-N 3.3Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.7Å; K48-S51 WeakPolarHBondContact O-CB 3.4Å; K48-S51 PolarHBondContact O-N 2.98Å; K48-S51 PolarHBondContact O-OG 3.19Å
49	F	98	Very high	93.8	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-42.5	177	-166.5	-81.2	0	0	0	112.2	F12 V16 R45 I46 S51 M52 L55 W499 T502 V503 V506	F12-F49 HydrophobicContact CE1-CZ 4.19Å; F12-F49 AromaticContact CZ-CE1 3.91Å; F12-F49 HydrophobicContact CZ-CE1 3.91Å; F12-F49 HydrophobicContact CZ-CZ 4.03Å; V16-F49 HydrophobicContact CG1-CE2 4.05Å; V16-F49 HydrophobicContact CG1-CZ 4.08Å; V16-F49 HydrophobicContact CG2-CE1 4.42Å; V16-F49 HydrophobicContact CG2-CE2 4.41Å; V16-F49 HydrophobicContact CG2-CZ 3.62Å; R45-F49 WeakPolarHBondContact O-CB 3.48Å; R45-F49 PolarHBondContact O-N 3.1Å; I46-F49 WeakPolarHBondContact O-CB 3.23Å; I46-F49 PolarHBondContact O-N 2.78Å; I46-F49 VanDerWaalsContact O-N 3.09Å; F49-S51 PolarHBondContact O-N 2.59Å; F49-M52 HydrophobicContact CD2-CE 4.49Å; F49-M52 HydrophobicContact CE2-CE 4.39Å; F49-M52 HydrophobicContact CZ-SD 4.45Å; F49-M52 WeakPolarHBondContact O-CG 3.46Å; F49-M52 PolarHBondContact O-N 3.03Å; F49-L55 HydrophobicContact CD1-CD1 3.97Å; F49-L55 HydrophobicContact CE1-CD1 4.14Å; F49-L55 HydrophobicContact CE1-CD2 4.16Å; F49-L55 WeakPolarHBondContact O-CD1 3.48Å; F49-W499 HydrophobicContact CD2-CE3 4.46Å; F49-W499 AromaticContact CD2-CH2 3.73Å; F49-W499 HydrophobicContact CD2-CH2 3.73Å; F49-W499 HydrophobicContact CD2-CZ2 4.34Å; F49-W499 AromaticContact CD2-CZ3 3.81Å; F49-W499 HydrophobicContact CD2-CZ3 3.81Å; F49-W499 AromaticContact CE2-CH2 3.87Å; F49-W499 HydrophobicContact CE2-CH2 3.87Å; F49-W499 HydrophobicContact CE2-CZ2 4.03Å; F49-W499 HydrophobicContact CE2-CZ3 4.31Å; F49-T502 HydrophobicContact CB-CG2 3.8Å; F49-T502 HydrophobicContact CD2-CG2 3.66Å; F49-T502 HydrophobicContact CE2-CG2 4.47Å; F49-T502 HydrophobicContact CG-CG2 3.88Å; F49-V503 HydrophobicContact CE2-CB 4.35Å; F49-V503 HydrophobicContact CE2-CG2 3.73Å; F49-V503 HydrophobicContact CZ-CG2 4.27Å; F49-V506 HydrophobicContact CD1-CB 4.11Å; F49-V506 HydrophobicContact CD1-CG1 4.18Å; F49-V506 HydrophobicContact CD1-CG2 3.61Å; F49-V506 HydrophobicContact CE1-CB 3.82Å; F49-V506 HydrophobicContact CE1-CG1 3.86Å; F49-V506 HydrophobicContact CE1-CG2 3.85Å; F49-V506 HydrophobicContact CG-CG2 4.27Å
50	M	96.1	Very high	93.6	Very high	49 Å²	49	64.9 Å²	64.9	24%	0.241	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.3	-179.5	-66.9	-60.7	-65.7	0	0	114.1	I46 K47 K48 M52 L55 V506 F535 N536	I46-M50 HydrophobicContact CG2-CG 3.89Å; I46-M50 WeakPolarHBondContact O-CB 3.5Å; I46-M50 WeakPolarHBondContact O-CG 3.19Å; I46-M50 PolarHBondContact O-N 3.14Å; K47-M50 PolarHBondContact O-N 3.29Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.7Å; M50-M52 PolarHBondContact O-N 3.01Å; M50-L55 HydrophobicContact CE-CD1 4.49Å; M50-L55 HydrophobicContact SD-CD1 3.84Å; M50-V506 HydrophobicContact SD-CG1 4.1Å; M50-V506 HydrophobicContact SD-CG2 4.37Å; M50-F535 HydrophobicContact CE-CD1 3.61Å; M50-F535 HydrophobicContact CE-CE1 3.78Å; M50-F535 HydrophobicContact SD-CD1 4.07Å; M50-F535 HydrophobicContact SD-CE1 3.83Å; M50-N536 WeakPolarHBondContact CG-OD1 3.38Å
51	S	95.9	Very high	93.1	Very high	56 Å²	56	59.1 Å²	59.1	39%	0.392	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.9	171.1	71.4	0	0	0	0	113.8	K47 K48 F49 P53	K47-S51 PolarHBondContact O-N 3.26Å; K48-S51 WeakPolarHBondContact O-CB 3.4Å; K48-S51 PolarHBondContact O-N 2.98Å; K48-S51 PolarHBondContact O-OG 3.19Å; F49-S51 PolarHBondContact O-N 2.59Å; S51-P53 WeakPolarHBondContact O-CD 3.22Å
52	M	97.3	Very high	92.3	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	30%	0.298	C	S	.	.			trans	-67.6	121.8	178.8	-65.9	-176.6	-178.7	0	0	111.8	V16 S19 V20 M23 L33 F49 M50 F54 L55 W499	V16-M52 HydrophobicContact CG1-CE 4.13Å; V16-M52 HydrophobicContact CG1-SD 4.33Å; S19-M52 WeakPolarHBondContact OG-CB 3.36Å; S19-M52 WeakPolarHBondContact OG-CG 3.49Å; V20-M52 HydrophobicContact CG2-CE 3.66Å; M23-M52 HydrophobicContact SD-CB 4.37Å; M23-M52 HydrophobicContact SD-CG 3.97Å; L33-M52 HydrophobicContact CD1-CE 3.56Å; L33-M52 HydrophobicContact CD1-CG 4.05Å; L33-M52 HydrophobicContact CD2-CE 3.91Å; L33-M52 HydrophobicContact CG-CE 3.53Å; F49-M52 HydrophobicContact CD2-CE 4.49Å; F49-M52 HydrophobicContact CE2-CE 4.39Å; F49-M52 HydrophobicContact CZ-SD 4.45Å; F49-M52 WeakPolarHBondContact O-CG 3.46Å; F49-M52 PolarHBondContact O-N 3.03Å; M50-M52 PolarHBondContact O-N 3.01Å; M52-F54 VanDerWaalsContact C-N 3.33Å; M52-F54 HydrophobicContact CB-CD1 3.99Å; M52-F54 HydrophobicContact CB-CE1 3.93Å; M52-F54 HydrophobicContact CG-CE1 4.5Å; M52-F54 PolarHBondContact O-N 3.11Å; M52-F54 HydrophobicContact SD-CE1 3.77Å; M52-L55 HydrophobicContact CB-CD1 3.82Å; M52-L55 HydrophobicContact CB-CG 4.08Å; M52-L55 WeakPolarHBondContact O-CB 3.47Å; M52-L55 PolarHBondContact O-N 3.39Å; M52-W499 HydrophobicContact CE-CH2 3.57Å; M52-W499 HydrophobicContact CE-CZ2 4.08Å
53	P	95	Very high	90.4	Very high	85 Å²	85	65.4 Å²	65.4	55%	0.552	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-60.5	-34.4	-172.3	-28.2	35.6	0	0	0	115.6	S51 L55 R56	S51-P53 WeakPolarHBondContact O-CD 3.22Å; P53-L55 PolarHBondContact O-N 3.34Å; P53-R56 PolarHBondContact O-N 2.96Å
54	F	96	Very high	88.7	Confident	35 Å²	35	67 Å²	67	15%	0.154	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-64.5	-24.1	-174.4	84.1	-91.5	0	0	0	112.8	F12 L15 V16 M52 R56 Q57 F58	F12-F54 AromaticContact CD2-CE2 3.97Å; F12-F54 HydrophobicContact CD2-CE2 3.97Å; F12-F54 HydrophobicContact CD2-CZ 4.26Å; F12-F54 AromaticContact CE2-CE2 3.89Å; F12-F54 HydrophobicContact CE2-CE2 3.89Å; F12-F54 AromaticContact CE2-CZ 3.93Å; F12-F54 HydrophobicContact CE2-CZ 3.93Å; F12-F54 HydrophobicContact CZ-CZ 4.47Å; L15-F54 HydrophobicContact CB-CD1 4.28Å; L15-F54 HydrophobicContact CB-CD2 3.76Å; L15-F54 HydrophobicContact CB-CE1 4.17Å; L15-F54 HydrophobicContact CB-CE2 3.64Å; L15-F54 HydrophobicContact CB-CG 4.09Å; L15-F54 HydrophobicContact CB-CZ 3.86Å; L15-F54 HydrophobicContact CD1-CD2 3.79Å; L15-F54 HydrophobicContact CD1-CE2 3.99Å; L15-F54 HydrophobicContact CG-CD2 4.32Å; L15-F54 HydrophobicContact CG-CE2 4.47Å; V16-F54 HydrophobicContact CG2-CE1 4.18Å; V16-F54 HydrophobicContact CG2-CZ 3.72Å; M52-F54 VanDerWaalsContact C-N 3.33Å; M52-F54 HydrophobicContact CB-CD1 3.99Å; M52-F54 HydrophobicContact CB-CE1 3.93Å; M52-F54 HydrophobicContact CG-CE1 4.5Å; M52-F54 PolarHBondContact O-N 3.11Å; M52-F54 HydrophobicContact SD-CE1 3.77Å; F54-R56 PolarHBondContact O-N 3.28Å; F54-Q57 PolarHBondContact O-N 2.84Å; F54-F58 HydrophobicContact CD2-CB 4.24Å; F54-F58 HydrophobicContact CD2-CD2 4.49Å; F54-F58 HydrophobicContact CE2-CB 4.32Å; F54-F58 HydrophobicContact CE2-CD2 4.26Å; F54-F58 HydrophobicContact CE2-CG 4.43Å; F54-F58 PolarHBondContact O-N 3.06Å; F54-F58 VanDerWaalsContact O-N 3.13Å
55	L	96.2	Very high	87	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-60	-29.3	-177.6	-65.2	171.7	0	0	0	112.6	F12 F49 M50 M52 P53 Q57 F58 V506 F510	F12-L55 HydrophobicContact CE2-CD2 3.66Å; F12-L55 HydrophobicContact CZ-CD2 4.05Å; F49-L55 HydrophobicContact CD1-CD1 3.97Å; F49-L55 HydrophobicContact CE1-CD1 4.14Å; F49-L55 HydrophobicContact CE1-CD2 4.16Å; F49-L55 WeakPolarHBondContact O-CD1 3.48Å; M50-L55 HydrophobicContact CE-CD1 4.49Å; M50-L55 HydrophobicContact SD-CD1 3.84Å; M52-L55 HydrophobicContact CB-CD1 3.82Å; M52-L55 HydrophobicContact CB-CG 4.08Å; M52-L55 WeakPolarHBondContact O-CB 3.47Å; M52-L55 PolarHBondContact O-N 3.39Å; P53-L55 PolarHBondContact O-N 3.34Å; L55-Q57 PolarHBondContact O-N 2.86Å; L55-F58 PolarHBondContact O-N 2.84Å; L55-V506 HydrophobicContact CD2-CG1 4.06Å; L55-F510 HydrophobicContact CD2-CE2 3.97Å; L55-F510 HydrophobicContact CD2-CZ 4.35Å
56	R	91.2	Very high	85.9	Confident	224 Å²	224	72.1 Å²	72.1	85%	0.845	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-62.7	-27.8	176.4	-64.5	-177.9	-178.6	-179.4	-0.5	112.9	P53 F54	P53-R56 PolarHBondContact O-N 2.96Å; F54-R56 PolarHBondContact O-N 3.28Å
57	Q	91.8	Very high	84.9	Confident	171 Å²	171	76.5 Å²	76.5	80%	0.799	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-13.4	-176.2	-62.4	177.9	0.5	0	0	112.8	F54 L55	F54-Q57 PolarHBondContact O-N 2.84Å; L55-Q57 PolarHBondContact O-N 2.86Å
58	F	94	Very high	84.5	Confident	13 Å²	13	70.4 Å²	70.4	6%	0.057	38%	0.379	C	S	.	.			trans	-69.6	138.7	-178.2	-170.4	-92.5	0	0	0	111.7	F12 L15 F54 L55 I60 F510	F12-F58 HydrophobicContact CB-CE1 4.44Å; F12-F58 HydrophobicContact CB-CE2 3.88Å; F12-F58 HydrophobicContact CB-CZ 3.67Å; F12-F58 AromaticContact CD2-CD1 3.89Å; F12-F58 HydrophobicContact CD2-CD1 3.89Å; F12-F58 AromaticContact CD2-CD2 3.98Å; F12-F58 HydrophobicContact CD2-CD2 3.98Å; F12-F58 AromaticContact CD2-CE1 3.67Å; F12-F58 HydrophobicContact CD2-CE1 3.67Å; F12-F58 AromaticContact CD2-CE2 3.77Å; F12-F58 HydrophobicContact CD2-CE2 3.77Å; F12-F58 HydrophobicContact CD2-CG 4.04Å; F12-F58 AromaticContact CD2-CZ 3.62Å; F12-F58 HydrophobicContact CD2-CZ 3.62Å; F12-F58 HydrophobicContact CE2-CD1 4.27Å; F12-F58 HydrophobicContact CE2-CE1 4.38Å; F12-F58 HydrophobicContact CE2-CG 4.48Å; F12-F58 HydrophobicContact CG-CE1 4.4Å; F12-F58 HydrophobicContact CG-CE2 4.33Å; F12-F58 HydrophobicContact CG-CZ 4.07Å; L15-F58 HydrophobicContact CD1-CD2 3.93Å; L15-F58 HydrophobicContact CD1-CE2 4.24Å; F54-F58 HydrophobicContact CD2-CB 4.24Å; F54-F58 HydrophobicContact CD2-CD2 4.49Å; F54-F58 HydrophobicContact CE2-CB 4.32Å; F54-F58 HydrophobicContact CE2-CD2 4.26Å; F54-F58 HydrophobicContact CE2-CG 4.43Å; F54-F58 PolarHBondContact O-N 3.06Å; F54-F58 VanDerWaalsContact O-N 3.13Å; L55-F58 PolarHBondContact O-N 2.84Å; F58-I60 HydrophobicContact CE1-CD1 3.95Å; F58-I60 HydrophobicContact CZ-CD1 4.33Å; F58-F510 HydrophobicContact CB-CE1 4.29Å; F58-F510 HydrophobicContact CB-CE2 4.3Å; F58-F510 HydrophobicContact CB-CZ 3.93Å; F58-F510 HydrophobicContact CD1-CB 4.34Å; F58-F510 AromaticContact CD1-CD1 3.93Å; F58-F510 HydrophobicContact CD1-CD1 3.93Å; F58-F510 AromaticContact CD1-CD2 3.51Å; F58-F510 HydrophobicContact CD1-CD2 3.51Å; F58-F510 HydrophobicContact CD1-CE1 4.01Å; F58-F510 AromaticContact CD1-CE2 3.62Å; F58-F510 HydrophobicContact CD1-CE2 3.62Å; F58-F510 AromaticContact CD1-CG 3.69Å; F58-F510 HydrophobicContact CD1-CG 3.69Å; F58-F510 AromaticContact CD1-CZ 3.87Å; F58-F510 HydrophobicContact CD1-CZ 3.87Å; F58-F510 HydrophobicContact CE1-CB 4.23Å; F58-F510 AromaticContact CE1-CD2 3.92Å; F58-F510 HydrophobicContact CE1-CD2 3.92Å; F58-F510 HydrophobicContact CE1-CE2 4.42Å; F58-F510 HydrophobicContact CE1-CG 4.04Å; F58-F510 HydrophobicContact CG-CE2 4.32Å; F58-F510 HydrophobicContact CG-CZ 4.37Å; F58-F510 VanDerWaalsContact O-CE1 3.22Å; F58-F510 WeakPolarHBondContact O-CE1 3.34Å
59	K	91.2	Very high	84.2	Confident	148 Å²	148	68.9 Å²	68.9	64%	0.643	38%	0.379	S	S	*	.			trans	-149	145.8	175.9	-64.3	-171.7	179.3	-175.3	0	109.8
60	I	90	Very high	84	Confident	14 Å²	14	70.6 Å²	70.6	7%	0.072	39%	0.387	C	S	.	.			trans	-73.2	133.7	168.8	-59.5	-61.9	0	0	0	109.1	D8 F58 I62 Y507 F510 A514	D8-I60 HydrophobicContact CB-CD1 4.29Å; F58-I60 HydrophobicContact CE1-CD1 3.95Å; F58-I60 HydrophobicContact CZ-CD1 4.33Å; I60-I62 PolarHBondContact O-N 3.12Å; I60-I62 VanDerWaalsContact O-N 3.12Å; I60-Y507 HydrophobicContact CD1-CD2 4.01Å; I60-Y507 HydrophobicContact CD1-CE2 3.49Å; I60-Y507 VanDerWaalsContact CD1-CE2 3.49Å; I60-F510 HydrophobicContact CD1-CB 4.18Å; I60-F510 HydrophobicContact CG1-CB 3.85Å; I60-A514 HydrophobicContact CB-CB 3.88Å; I60-A514 HydrophobicContact CG1-CB 4.3Å; I60-A514 HydrophobicContact CG2-CB 4.26Å
61	S	77.9	Confident	84	Confident	55 Å²	55	71.5 Å²	71.5	39%	0.385	39%	0.392	S	S	.	.			trans	-79.4	94.7	179.7	-67.4	0	0	0	0	110.8	S63 R377	S61-S63 PolarHBondContact O-N 3.41Å; S61-S63 VanDerWaalsContact O-N 3.12Å; S61-R377 PolarHBondContact O-NH1 2.63Å; S61-R377 PolarHBondContact O-NH2 3.41Å
62	I	70.5	Confident	84	Confident	106 Å²	106	71.3 Å²	71.3	54%	0.544	39%	0.387	S	S	.	.			trans	-85.3	65.3	170.3	-41.8	170.8	0	0	0	108.4	I60 A514	I60-I62 PolarHBondContact O-N 3.12Å; I60-I62 VanDerWaalsContact O-N 3.12Å; I62-A514 HydrophobicContact CD1-CB 3.69Å; I62-A514 WeakPolarHBondContact CD1-O 3.46Å; I62-A514 HydrophobicContact CG1-CB 3.99Å
63	S	54.6	Low	84	Confident	66 Å²	66	75.5 Å²	75.5	46%	0.462	42%	0.417	S	S	.	.			trans	-65.7	143.2	174.2	57.3	0	0	0	0	109.9	S61 Q65 S66	S61-S63 PolarHBondContact O-N 3.41Å; S61-S63 VanDerWaalsContact O-N 3.12Å; S63-Q65 PolarHBondContact O-N 3.23Å; S63-S66 PolarHBondContact O-N 3.04Å
64	G	54.8	Low	84.1	Confident	82 Å²	82	74.1 Å²	74.1	85%	0.845	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-10	172	0	0	0	0	0	114.6	S66	G64-S66 VanDerWaalsContact C-N 3.34Å
65	Q	56.1	Low	84.1	Confident	178 Å²	178	72.4 Å²	72.4	83%	0.832	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	26.8	172.1	-61.1	-179.3	0.2	0	0	113	S63	S63-Q65 PolarHBondContact O-N 3.23Å
66	S	71.2	Confident	84.3	Confident	24 Å²	24	77 Å²	77	17%	0.168	42%	0.416	C	S	.	.			trans	-51.9	132.4	173	175.2	0	0	0	0	109.5	S63 G64 A68 A69	S63-S66 PolarHBondContact O-N 3.04Å; G64-S66 VanDerWaalsContact C-N 3.34Å; S66-A68 PolarHBondContact O-N 3.12Å; S66-A68 PolarHBondContact OG-N 2.83Å; S66-A69 WeakPolarHBondContact O-CB 3.49Å; S66-A69 PolarHBondContact O-N 3.43Å
67	P	75.5	Confident	84.6	Confident	93 Å²	93	71.1 Å²	71.1	60%	0.604	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.7	174.2	-24.3	33.2	0	0	0	113	A69	P67-A69 VanDerWaalsContact C-N 3.35Å
68	A	85.8	Confident	84.9	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.033	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6	177.1	0	0	0	0	0	114.1	S66 C329 T330 Q331	S66-A68 PolarHBondContact O-N 3.12Å; S66-A68 PolarHBondContact OG-N 2.83Å; A68-C329 HydrophobicContact CB-CB 4.48Å; A68-C329 CarbonylContact O-C 3.58Å; A68-C329 VanDerWaalsContact O-CA 3.26Å; A68-C329 WeakPolarHBondContact O-CA 3.34Å; A68-T330 WeakPolarHBondContact CA-OG1 3.46Å; A68-T330 WeakPolarHBondContact O-CG2 3.47Å; A68-T330 PolarHBondContact O-N 3.05Å; A68-T330 PolarHBondContact O-OG1 3.36Å; A68-Q331 HydrophobicContact CB-CG 3.71Å
69	A	89.9	Confident	85.1	Confident	35 Å²	35	66 Å²	66	29%	0.289	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-73.4	145.8	179.4	0	0	0	0	0	111.3	S66 P67	S66-A69 WeakPolarHBondContact O-CB 3.49Å; S66-A69 PolarHBondContact O-N 3.43Å; P67-A69 VanDerWaalsContact C-N 3.35Å
70	K	93.9	Very high	85.5	Confident	37 Å²	37	63.2 Å²	63.2	16%	0.161	36%	0.362	C	S	.	.			trans	-70.4	140.1	173	-66.2	179.2	178.8	-64.5	0	110.1	F103 F104 A105 A106 C326 R327 C329 T330	K70-F103 PolarHBondContact NZ-O 3.37Å; K70-F104 CarbonylContact C-O 3.5Å; K70-F104 WeakPolarHBondContact CA-O 3.31Å; K70-F104 WeakPolarHBondContact CB-O 3.35Å; K70-A105 WeakPolarHBondContact CD-O 3.08Å; K70-A106 HydrophobicContact CB-CB 3.79Å; K70-C326 WeakPolarHBondContact CE-O 3.11Å; K70-C326 PolarHBondContact NZ-O 2.98Å; K70-R327 WeakPolarHBondContact CE-O 3.4Å; K70-C329 PolarHBondContact NZ-O 3.21Å; K70-T330 HydrophobicContact CG-CG2 4.24Å
71	N	94.9	Very high	85.9	Confident	67 Å²	67	66.2 Å²	66.2	36%	0.358	38%	0.375	S	S	.	.			trans	-152.2	114	-176.1	-175.8	-40.8	0	0	0	110.1	S73 I74 A75 F104	N71-S73 VanDerWaalsContact C-N 3.3Å; N71-S73 PolarHBondContact O-N 2.92Å; N71-S73 WeakPolarHBondContact OD1-CA 3.41Å; N71-S73 VanDerWaalsContact OD1-CB 3.25Å; N71-S73 WeakPolarHBondContact OD1-CB 3.07Å; N71-S73 PolarHBondContact OD1-N 3.48Å; N71-I74 HydrophobicContact CB-CB 4.22Å; N71-I74 HydrophobicContact CB-CD1 3.95Å; N71-I74 HydrophobicContact CB-CG1 4.05Å; N71-I74 PolarHBondContact O-N 3.37Å; N71-I74 PolarHBondContact OD1-N 3.32Å; N71-A75 PolarHBondContact O-N 3.24Å; N71-F104 CarbonylContact C-O 3.51Å; N71-F104 PolarHBondContact N-O 2.8Å
72	D	97.1	Very high	86.8	Confident	52 Å²	52	63.6 Å²	63.6	28%	0.278	36%	0.357	S	S	.	.	H	α-helix	trans	-67.3	-28.4	-176.9	-74	-15.2	0	0	0	113.8	A75 K76 A106 S107 E110	D72-A75 PolarHBondContact O-N 2.87Å; D72-K76 VanDerWaalsContact O-CB 3.27Å; D72-K76 WeakPolarHBondContact O-CB 3.26Å; D72-K76 PolarHBondContact O-N 3.13Å; D72-A106 WeakPolarHBondContact OD1-CA 3.23Å; D72-A106 WeakPolarHBondContact OD1-CB 3.38Å; D72-A106 PolarHBondContact OD1-N 2.77Å; D72-S107 PolarHBondContact OD1-N 3.47Å; D72-S107 PolarHBondContact OD1-OG 3.48Å; D72-S107 WeakPolarHBondContact OD2-CB 3.47Å; D72-S107 PolarHBondContact OD2-N 3.03Å; D72-S107 PolarHBondContact OD2-OG 2.88Å; D72-E110 HydrophobicContact CB-CG 4.23Å
73	S	97.1	Very high	88.2	Confident	91 Å²	91	60.5 Å²	60.5	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-64.5	-45.2	174.4	-176.1	0	0	0	0	110.4	N71 K76 Q77	N71-S73 VanDerWaalsContact C-N 3.3Å; N71-S73 PolarHBondContact O-N 2.92Å; N71-S73 WeakPolarHBondContact OD1-CA 3.41Å; N71-S73 VanDerWaalsContact OD1-CB 3.25Å; N71-S73 WeakPolarHBondContact OD1-CB 3.07Å; N71-S73 PolarHBondContact OD1-N 3.48Å; S73-K76 PolarHBondContact O-N 3.39Å; S73-Q77 WeakPolarHBondContact O-CB 3.49Å; S73-Q77 PolarHBondContact O-N 3.41Å
74	I	95.8	Very high	90.3	Very high	55 Å²	55	62 Å²	62	28%	0.282	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-43.7	174.7	-59.3	178.5	0	0	0	110.2	N71 K76 Q77 K78 F104	N71-I74 HydrophobicContact CB-CB 4.22Å; N71-I74 HydrophobicContact CB-CD1 3.95Å; N71-I74 HydrophobicContact CB-CG1 4.05Å; N71-I74 PolarHBondContact O-N 3.37Å; N71-I74 PolarHBondContact OD1-N 3.32Å; I74-K76 PolarHBondContact O-N 2.84Å; I74-Q77 PolarHBondContact O-N 3.46Å; I74-K78 HydrophobicContact CG2-CG 4.2Å; I74-K78 WeakPolarHBondContact O-CB 3.27Å; I74-K78 VanDerWaalsContact O-CG 3.26Å; I74-K78 WeakPolarHBondContact O-CG 3.19Å; I74-K78 PolarHBondContact O-N 2.85Å; I74-F104 HydrophobicContact CB-CB 4.46Å; I74-F104 HydrophobicContact CB-CD1 4.18Å; I74-F104 HydrophobicContact CB-CG 4.26Å; I74-F104 HydrophobicContact CD1-CD1 4.44Å; I74-F104 HydrophobicContact CD1-CE1 4.37Å; I74-F104 HydrophobicContact CG2-CB 4.25Å; I74-F104 HydrophobicContact CG2-CD1 3.75Å; I74-F104 HydrophobicContact CG2-CD2 3.77Å; I74-F104 HydrophobicContact CG2-CE1 4Å; I74-F104 HydrophobicContact CG2-CE2 4Å; I74-F104 HydrophobicContact CG2-CG 3.66Å; I74-F104 HydrophobicContact CG2-CZ 4.12Å
75	A	97.6	Very high	92.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-47.9	178.3	0	0	0	0	0	111.9	N71 D72 K78 R79 A101 F104 A105 E110	N71-A75 PolarHBondContact O-N 3.24Å; D72-A75 PolarHBondContact O-N 2.87Å; A75-K78 PolarHBondContact O-N 2.72Å; A75-R79 WeakPolarHBondContact O-CB 3.4Å; A75-R79 PolarHBondContact O-N 3.06Å; A75-A101 WeakPolarHBondContact CB-O 3.47Å; A75-A101 WeakPolarHBondContact O-CB 3.31Å; A75-F104 HydrophobicContact CB-CB 3.93Å; A75-A105 HydrophobicContact CB-CB 4.07Å; A75-E110 HydrophobicContact CB-CB 4.43Å
76	K	98.5	Very high	94.3	Very high	102 Å²	102	53.2 Å²	53.2	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-47.6	176.1	177.1	175.6	174.6	-174.9	0	111.6	D72 S73 I74 K78 R79 E80	D72-K76 VanDerWaalsContact O-CB 3.27Å; D72-K76 WeakPolarHBondContact O-CB 3.26Å; D72-K76 PolarHBondContact O-N 3.13Å; S73-K76 PolarHBondContact O-N 3.39Å; I74-K76 PolarHBondContact O-N 2.84Å; K76-K78 PolarHBondContact O-N 3.43Å; K76-R79 WeakPolarHBondContact O-CB 3.27Å; K76-R79 PolarHBondContact O-N 3.46Å; K76-R79 VanDerWaalsContact O-N 3.17Å; K76-E80 WeakPolarHBondContact CE-OE1 3.36Å; K76-E80 WeakPolarHBondContact O-CG 3.34Å; K76-E80 PolarHBondContact O-N 3.24Å
77	Q	98.3	Very high	95.5	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-46.4	177.6	-172.5	-169.6	21.5	0	0	111.6	S73 I74 R79 E80 H81	S73-Q77 WeakPolarHBondContact O-CB 3.49Å; S73-Q77 PolarHBondContact O-N 3.41Å; I74-Q77 PolarHBondContact O-N 3.46Å; Q77-R79 VanDerWaalsContact C-N 3.33Å; Q77-R79 PolarHBondContact O-N 3.16Å; Q77-E80 PolarHBondContact O-N 3.31Å; Q77-H81 PolarHBondContact O-N 3.27Å; Q77-H81 PolarHBondContact O-ND1 2.7Å
78	K	97.9	Very high	96.5	Very high	48 Å²	48	59.6 Å²	59.6	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-42.2	176.1	-67.8	-67.1	-175.8	166.1	0	111.5	I74 A75 K76 E80 H81 G82 Y97 E100 A101 F104	I74-K78 HydrophobicContact CG2-CG 4.2Å; I74-K78 WeakPolarHBondContact O-CB 3.27Å; I74-K78 VanDerWaalsContact O-CG 3.26Å; I74-K78 WeakPolarHBondContact O-CG 3.19Å; I74-K78 PolarHBondContact O-N 2.85Å; A75-K78 PolarHBondContact O-N 2.72Å; K76-K78 PolarHBondContact O-N 3.43Å; K78-E80 VanDerWaalsContact C-N 3.32Å; K78-E80 PolarHBondContact O-N 3.46Å; K78-H81 PolarHBondContact O-N 3.12Å; K78-G82 PolarHBondContact O-N 2.54Å; K78-Y97 HydrophobicContact CD-CD1 4.04Å; K78-Y97 HydrophobicContact CD-CE1 4.39Å; K78-Y97 WeakPolarHBondContact O-CB 3.17Å; K78-E100 HydrophobicContact CD-CB 4.26Å; K78-E100 WeakPolarHBondContact CD-OE2 3.4Å; K78-E100 VanDerWaalsContact CE-OE2 3.3Å; K78-E100 WeakPolarHBondContact CE-OE2 3.29Å; K78-E100 HydrophobicContact CG-CB 4.35Å; K78-E100 IonicContact NZ-OE2 3.95Å; K78-E100 PolarHBondContact NZ-OE2 3.49Å; K78-A101 HydrophobicContact CB-CB 3.88Å; K78-F104 HydrophobicContact CG-CD2 4.41Å
79	R	98.5	Very high	96.9	Very high	30 Å²	30	64.3 Å²	64.3	11%	0.113	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-38.8	176.1	-176	171.8	53.3	68.8	-5.2	112	A75 K76 Q77 G82 N83 Y98 A101 E110	A75-R79 WeakPolarHBondContact O-CB 3.4Å; A75-R79 PolarHBondContact O-N 3.06Å; K76-R79 WeakPolarHBondContact O-CB 3.27Å; K76-R79 PolarHBondContact O-N 3.46Å; K76-R79 VanDerWaalsContact O-N 3.17Å; Q77-R79 VanDerWaalsContact C-N 3.33Å; Q77-R79 PolarHBondContact O-N 3.16Å; R79-G82 CarbonylContact O-C 3.59Å; R79-G82 PolarHBondContact O-N 2.88Å; R79-N83 VanDerWaalsContact O-CG 3.27Å; R79-N83 PolarHBondContact O-N 3.37Å; R79-N83 PolarHBondContact O-OD1 3.23Å; R79-Y98 HydrophobicContact CG-CD1 4.35Å; R79-Y98 HydrophobicContact CG-CE1 4.32Å; R79-Y98 WeakPolarHBondContact O-CE1 3.42Å; R79-A101 HydrophobicContact CB-CB 3.91Å; R79-E110 IonicContact CZ-OE1 2.98Å; R79-E110 IonicContact CZ-OE2 2.67Å; R79-E110 IonicContact NE-OE2 3.37Å; R79-E110 PolarHBondContact NE-OE2 3.09Å; R79-E110 IonicContact NH2-OE1 2.67Å; R79-E110 PolarHBondContact NH2-OE1 2.99Å; R79-E110 IonicContact NH2-OE2 3.38Å; R79-E110 PolarHBondContact NH2-OE2 2.92Å
80	E	98.6	Very high	97.1	Very high	88 Å²	88	66 Å²	66	41%	0.411	32%	0.323	S	S	.	.	H	α-helix	trans	-66	-42	175.6	-73.7	169.6	-179.4	0	0	112.1	K76 Q77 K78 G82 N83 E84	K76-E80 WeakPolarHBondContact CE-OE1 3.36Å; K76-E80 WeakPolarHBondContact O-CG 3.34Å; K76-E80 PolarHBondContact O-N 3.24Å; Q77-E80 PolarHBondContact O-N 3.31Å; K78-E80 VanDerWaalsContact C-N 3.32Å; K78-E80 PolarHBondContact O-N 3.46Å; E80-G82 VanDerWaalsContact C-N 3.29Å; E80-G82 PolarHBondContact O-N 2.79Å; E80-N83 WeakPolarHBondContact O-CB 3.41Å; E80-N83 PolarHBondContact O-N 3.08Å; E80-N83 VanDerWaalsContact O-N 3.14Å; E80-E84 PolarHBondContact O-N 3.28Å
81	H	98.5	Very high	97.2	Very high	78 Å²	78	65.5 Å²	65.5	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-38.2	169.8	-62.6	148.6	0	0	0	112.2	Q77 K78 N83 E84 A85 Y97	Q77-H81 PolarHBondContact O-N 3.27Å; Q77-H81 PolarHBondContact O-ND1 2.7Å; K78-H81 PolarHBondContact O-N 3.12Å; H81-N83 VanDerWaalsContact C-N 3.34Å; H81-E84 WeakPolarHBondContact O-CB 3.27Å; H81-E84 PolarHBondContact O-N 3.03Å; H81-A85 WeakPolarHBondContact O-CB 3.3Å; H81-A85 PolarHBondContact O-N 3.47Å; H81-Y97 HydrophobicContact CB-CD1 4.26Å; H81-Y97 HydrophobicContact CB-CD2 3.68Å; H81-Y97 HydrophobicContact CB-CE1 4.38Å; H81-Y97 HydrophobicContact CB-CE2 3.78Å; H81-Y97 HydrophobicContact CB-CG 3.94Å
82	G	98.4	Very high	97.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-40.1	172.6	0	0	0	0	0	112.5	K78 R79 E80 E84 A85 W86 Y98	K78-G82 PolarHBondContact O-N 2.54Å; R79-G82 CarbonylContact O-C 3.59Å; R79-G82 PolarHBondContact O-N 2.88Å; E80-G82 VanDerWaalsContact C-N 3.29Å; E80-G82 PolarHBondContact O-N 2.79Å; G82-E84 VanDerWaalsContact C-N 3.34Å; G82-A85 PolarHBondContact O-N 3.36Å; G82-W86 VanDerWaalsContact O-CB 3.25Å; G82-W86 WeakPolarHBondContact O-CB 3.29Å; G82-W86 PolarHBondContact O-N 3.21Å; G82-Y98 VanDerWaalsContact C-CE1 3.44Å; G82-Y98 VanDerWaalsContact C-OH 3.29Å; G82-Y98 PolarHBondContact O-OH 2.73Å
83	N	98.5	Very high	97.1	Very high	40 Å²	40	63.3 Å²	63.3	21%	0.214	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-39.2	175.4	-67.8	-22.5	0	0	0	111.8	R79 E80 H81 R87 Y98 N117	R79-N83 VanDerWaalsContact O-CG 3.27Å; R79-N83 PolarHBondContact O-N 3.37Å; R79-N83 PolarHBondContact O-OD1 3.23Å; E80-N83 WeakPolarHBondContact O-CB 3.41Å; E80-N83 PolarHBondContact O-N 3.08Å; E80-N83 VanDerWaalsContact O-N 3.14Å; H81-N83 VanDerWaalsContact C-N 3.34Å; N83-R87 WeakPolarHBondContact O-CB 3.31Å; N83-R87 WeakPolarHBondContact O-CG 3.44Å; N83-R87 PolarHBondContact O-N 2.97Å; N83-R87 PolarHBondContact O-NE 3.32Å; N83-Y98 VanDerWaalsContact CA-OH 3.31Å; N83-Y98 WeakPolarHBondContact CA-OH 3.3Å; N83-Y98 PolarHBondContact N-OH 2.82Å; N83-Y98 PolarHBondContact OD1-OH 3.43Å; N83-Y98 VanDerWaalsContact OD1-OH 3.04Å; N83-N117 PolarHBondContact OD1-ND2 2.72Å
84	E	98.4	Very high	97.1	Very high	97 Å²	97	59 Å²	59	45%	0.453	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-54.8	174.7	-170.8	60.3	-144.3	0	0	110.6	E80 H81 G82 W86 R87 T88	E80-E84 PolarHBondContact O-N 3.28Å; H81-E84 WeakPolarHBondContact O-CB 3.27Å; H81-E84 PolarHBondContact O-N 3.03Å; G82-E84 VanDerWaalsContact C-N 3.34Å; E84-W86 PolarHBondContact O-N 3.19Å; E84-R87 PolarHBondContact O-N 3.16Å; E84-R87 IonicContact OE1-NH1 3.55Å; E84-R87 IonicContact OE2-CZ 2.74Å; E84-R87 IonicContact OE2-NH1 3.55Å; E84-R87 PolarHBondContact OE2-NH1 2.94Å; E84-R87 IonicContact OE2-NH2 2.74Å; E84-R87 PolarHBondContact OE2-NH2 3.09Å; E84-T88 PolarHBondContact O-N 3.43Å; E84-T88 PolarHBondContact O-OG1 2.74Å
85	A	97.8	Very high	97.2	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-38	177.8	0	0	0	0	0	112.2	H81 G82 T88 N89 N90 L93 A94	H81-A85 WeakPolarHBondContact O-CB 3.3Å; H81-A85 PolarHBondContact O-N 3.47Å; G82-A85 PolarHBondContact O-N 3.36Å; A85-T88 CarbonylContact O-C 3.57Å; A85-T88 PolarHBondContact O-N 3.36Å; A85-T88 PolarHBondContact O-OG1 2.73Å; A85-N89 PolarHBondContact O-N 3.3Å; A85-N90 HydrophobicContact CB-CB 4.37Å; A85-N90 PolarHBondContact O-N 3Å; A85-L93 HydrophobicContact CB-CB 3.97Å; A85-L93 HydrophobicContact CB-CD2 4.13Å; A85-L93 HydrophobicContact CB-CG 3.98Å; A85-A94 HydrophobicContact CB-CB 4.02Å
86	W	97.4	Very high	97.1	Very high	73 Å²	73	61.4 Å²	61.4	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-44.1	174.7	176.2	-105	0	0	0	112.5	G82 E84 T88 N89 L91 A94 Y98 C120 V121 R124	G82-W86 VanDerWaalsContact O-CB 3.25Å; G82-W86 WeakPolarHBondContact O-CB 3.29Å; G82-W86 PolarHBondContact O-N 3.21Å; E84-W86 PolarHBondContact O-N 3.19Å; W86-T88 VanDerWaalsContact C-N 3.31Å; W86-T88 PolarHBondContact O-N 2.8Å; W86-N89 PolarHBondContact O-N 3.11Å; W86-N89 VanDerWaalsContact O-N 3.08Å; W86-L91 HydrophobicContact CE3-CD2 3.99Å; W86-L91 HydrophobicContact CZ3-CD2 3.72Å; W86-A94 HydrophobicContact CB-CB 4.22Å; W86-Y98 HydrophobicContact CB-CE2 4.47Å; W86-Y98 WeakPolarHBondContact CB-OH 3.46Å; W86-C120 HydrophobicContact CH2-CB 4.01Å; W86-C120 HydrophobicContact CZ2-CB 4.03Å; W86-C120 HydrophobicContact CZ3-CB 4.45Å; W86-V121 HydrophobicContact CE3-CG2 3.78Å; W86-V121 HydrophobicContact CZ3-CB 4.34Å; W86-V121 HydrophobicContact CZ3-CG2 3.95Å; W86-R124 HydrophobicContact CH2-CB 3.96Å; W86-R124 HydrophobicContact CH2-CG 4.42Å; W86-R124 HydrophobicContact CZ3-CB 4.08Å; W86-R124 HydrophobicContact CZ3-CG 4.43Å
87	R	97.4	Very high	97.1	Very high	161 Å²	161	59.3 Å²	59.3	61%	0.608	28%	0.276	S	S	*	.	H	α-helix	trans	-64.6	-35.3	177.7	-79.5	-177.7	-94.1	110.9	0.2	112.1	N83 E84 N89	N83-R87 WeakPolarHBondContact O-CB 3.31Å; N83-R87 WeakPolarHBondContact O-CG 3.44Å; N83-R87 PolarHBondContact O-N 2.97Å; N83-R87 PolarHBondContact O-NE 3.32Å; E84-R87 PolarHBondContact O-N 3.16Å; E84-R87 IonicContact OE1-NH1 3.55Å; E84-R87 IonicContact OE2-CZ 2.74Å; E84-R87 IonicContact OE2-NH1 3.55Å; E84-R87 PolarHBondContact OE2-NH1 2.94Å; E84-R87 IonicContact OE2-NH2 2.74Å; E84-R87 PolarHBondContact OE2-NH2 3.09Å; R87-N89 PolarHBondContact O-N 3.11Å
88	T	95.9	Very high	97.1	Very high	89 Å²	89	54.7 Å²	54.7	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	10	174.3	68	0	0	0	0	113.5	E84 A85 W86 N90	E84-T88 PolarHBondContact O-N 3.43Å; E84-T88 PolarHBondContact O-OG1 2.74Å; A85-T88 CarbonylContact O-C 3.57Å; A85-T88 PolarHBondContact O-N 3.36Å; A85-T88 PolarHBondContact O-OG1 2.73Å; W86-T88 VanDerWaalsContact C-N 3.31Å; W86-T88 PolarHBondContact O-N 2.8Å; T88-N90 PolarHBondContact O-N 3.36Å; T88-N90 VanDerWaalsContact O-N 3.16Å
89	N	93.4	Very high	97	Very high	104 Å²	104	52.6 Å²	52.6	56%	0.556	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	24.5	-179.4	-162.9	48.6	0	0	0	115.1	A85 W86 R87 L91	A85-N89 PolarHBondContact O-N 3.3Å; W86-N89 PolarHBondContact O-N 3.11Å; W86-N89 VanDerWaalsContact O-N 3.08Å; R87-N89 PolarHBondContact O-N 3.11Å; N89-L91 PolarHBondContact O-N 3.08Å; N89-L91 VanDerWaalsContact O-N 3.16Å
90	N	96.1	Very high	96.9	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	24%	0.243	S	C	.	.			trans	-85.6	81.6	172.4	-171.1	-19.2	0	0	0	110	A85 T88 S92 L93 A94	A85-N90 HydrophobicContact CB-CB 4.37Å; A85-N90 PolarHBondContact O-N 3Å; T88-N90 PolarHBondContact O-N 3.36Å; T88-N90 VanDerWaalsContact O-N 3.16Å; N90-S92 PolarHBondContact O-N 3.22Å; N90-L93 HydrophobicContact CB-CB 4.25Å; N90-L93 VanDerWaalsContact CG-CB 3.46Å; N90-L93 PolarHBondContact O-N 3.35Å; N90-L93 WeakPolarHBondContact OD1-CB 3.31Å; N90-L93 PolarHBondContact OD1-N 3.35Å; N90-A94 WeakPolarHBondContact O-CB 3.42Å; N90-A94 PolarHBondContact O-N 2.79Å
91	L	94.5	Very high	96.9	Very high	25 Å²	25	47.7 Å²	47.7	13%	0.131	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-40.7	-172.1	-57.5	-177	0	0	0	113.2	W86 N89 L93 A94 L95 V121 R124 I125 I823	W86-L91 HydrophobicContact CE3-CD2 3.99Å; W86-L91 HydrophobicContact CZ3-CD2 3.72Å; N89-L91 PolarHBondContact O-N 3.08Å; N89-L91 VanDerWaalsContact O-N 3.16Å; L91-L93 PolarHBondContact O-N 3.1Å; L91-A94 PolarHBondContact O-N 3.2Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 PolarHBondContact O-N 3.06Å; L91-V121 HydrophobicContact CB-CG1 4.36Å; L91-V121 WeakPolarHBondContact O-CG1 3.33Å; L91-R124 HydrophobicContact CD1-CG 3.72Å; L91-R124 HydrophobicContact CD2-CG 3.93Å; L91-I125 HydrophobicContact CB-CG2 4.47Å; L91-I125 HydrophobicContact CD1-CG2 4.1Å; L91-I823 HydrophobicContact CB-CG2 4Å
92	S	94.2	Very high	96.9	Very high	17 Å²	17	44 Å²	44	12%	0.119	21%	0.207	C	C	.	.	H	α-helix	trans	-59.2	-48.8	177.7	-60.3	0	0	0	0	111.2	N90 L95 R96 I823 A827	N90-S92 PolarHBondContact O-N 3.22Å; S92-L95 PolarHBondContact O-N 3.46Å; S92-R96 PolarHBondContact O-N 2.9Å; S92-I823 WeakPolarHBondContact CB-O 3.24Å; S92-I823 WeakPolarHBondContact OG-CA 3.48Å; S92-I823 WeakPolarHBondContact OG-CG2 3.38Å; S92-I823 PolarHBondContact OG-O 2.85Å; S92-A827 WeakPolarHBondContact O-CA 3.28Å; S92-A827 WeakPolarHBondContact O-CB 3.2Å
93	L	96.3	Very high	96.8	Very high	57 Å²	57	44 Å²	44	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-70.1	-36.1	-178.9	-169.7	60.3	0	0	0	112	A85 N90 L91 R96 Y97	A85-L93 HydrophobicContact CB-CB 3.97Å; A85-L93 HydrophobicContact CB-CD2 4.13Å; A85-L93 HydrophobicContact CB-CG 3.98Å; N90-L93 HydrophobicContact CB-CB 4.25Å; N90-L93 VanDerWaalsContact CG-CB 3.46Å; N90-L93 PolarHBondContact O-N 3.35Å; N90-L93 WeakPolarHBondContact OD1-CB 3.31Å; N90-L93 PolarHBondContact OD1-N 3.35Å; L91-L93 PolarHBondContact O-N 3.1Å; L93-R96 WeakPolarHBondContact O-CB 3.37Å; L93-R96 PolarHBondContact O-N 3.14Å; L93-Y97 HydrophobicContact CD1-CD2 3.82Å; L93-Y97 HydrophobicContact CD1-CE2 3.31Å; L93-Y97 HydrophobicContact CD2-CD2 4.45Å; L93-Y97 HydrophobicContact CD2-CE2 3.81Å; L93-Y97 HydrophobicContact CG-CD2 3.65Å; L93-Y97 HydrophobicContact CG-CE2 3.36Å; L93-Y97 WeakPolarHBondContact O-CB 3.38Å; L93-Y97 WeakPolarHBondContact O-CD2 3.42Å; L93-Y97 PolarHBondContact O-N 3.46Å
94	A	98.1	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-45.9	173.8	0	0	0	0	0	111.7	A85 W86 N90 L91 R96 Y97 Y98 V121	A85-A94 HydrophobicContact CB-CB 4.02Å; W86-A94 HydrophobicContact CB-CB 4.22Å; N90-A94 WeakPolarHBondContact O-CB 3.42Å; N90-A94 PolarHBondContact O-N 2.79Å; L91-A94 PolarHBondContact O-N 3.2Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 2.68Å; A94-Y97 PolarHBondContact O-N 3.32Å; A94-Y98 HydrophobicContact CB-CD2 4.45Å; A94-Y98 HydrophobicContact CB-CE2 4.11Å; A94-Y98 WeakPolarHBondContact O-CB 3.36Å; A94-Y98 WeakPolarHBondContact O-CD2 3.47Å; A94-Y98 PolarHBondContact O-N 3.28Å; A94-V121 HydrophobicContact CB-CG2 3.85Å
95	L	96.4	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-45.5	176.6	179.9	58.4	0	0	0	111.2	L91 S92 T99 R118 V121 L122 I125 I321 A827 F828	L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 PolarHBondContact O-N 3.06Å; S92-L95 PolarHBondContact O-N 3.46Å; L95-T99 WeakPolarHBondContact O-CB 3.42Å; L95-T99 PolarHBondContact O-N 3.37Å; L95-T99 VanDerWaalsContact O-N 3.08Å; L95-T99 PolarHBondContact O-OG1 3.19Å; L95-R118 HydrophobicContact CD1-CG 3.92Å; L95-V121 HydrophobicContact CB-CG1 3.89Å; L95-L122 HydrophobicContact CD1-CD2 3.99Å; L95-L122 HydrophobicContact CD1-CG 4.4Å; L95-I125 HydrophobicContact CD2-CD1 4.45Å; L95-I321 HydrophobicContact CD2-CG1 4.45Å; L95-A827 HydrophobicContact CB-CB 4.1Å; L95-A827 HydrophobicContact CD2-CB 3.91Å; L95-A827 HydrophobicContact CG-CB 4.17Å; L95-F828 HydrophobicContact CD2-CE2 4.26Å
96	R	96	Very high	96.6	Very high	105 Å²	105	40.8 Å²	40.8	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-56.5	-58.9	175.6	-174.4	175.4	169.4	160.7	-3.5	111.2	S92 L93 A94 Y98 T99 E100 A827	S92-R96 PolarHBondContact O-N 2.9Å; L93-R96 WeakPolarHBondContact O-CB 3.37Å; L93-R96 PolarHBondContact O-N 3.14Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 2.68Å; R96-Y98 PolarHBondContact O-N 3.36Å; R96-T99 WeakPolarHBondContact O-CB 3.48Å; R96-T99 PolarHBondContact O-N 2.84Å; R96-T99 VanDerWaalsContact O-N 3.11Å; R96-E100 HydrophobicContact CG-CG 4.38Å; R96-E100 IonicContact CZ-OE1 3.59Å; R96-E100 IonicContact NE-OE1 3Å; R96-E100 PolarHBondContact NE-OE1 2.69Å; R96-E100 IonicContact NH2-OE1 3.24Å; R96-E100 WeakPolarHBondContact O-CG 3.28Å; R96-E100 PolarHBondContact O-N 3.49Å; R96-A827 WeakPolarHBondContact CB-O 3.28Å; R96-A827 VanDerWaalsContact CD-O 3.3Å; R96-A827 WeakPolarHBondContact CD-O 3.34Å; R96-A827 WeakPolarHBondContact CG-O 3.39Å
97	Y	97.8	Very high	96.6	Very high	57 Å²	57	38.3 Å²	38.3	22%	0.224	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-36	-172.3	-78.7	-43.9	0	0	0	113.6	K78 H81 L93 A94 T99 E100 A101	K78-Y97 HydrophobicContact CD-CD1 4.04Å; K78-Y97 HydrophobicContact CD-CE1 4.39Å; K78-Y97 WeakPolarHBondContact O-CB 3.17Å; H81-Y97 HydrophobicContact CB-CD1 4.26Å; H81-Y97 HydrophobicContact CB-CD2 3.68Å; H81-Y97 HydrophobicContact CB-CE1 4.38Å; H81-Y97 HydrophobicContact CB-CE2 3.78Å; H81-Y97 HydrophobicContact CB-CG 3.94Å; L93-Y97 HydrophobicContact CD1-CD2 3.82Å; L93-Y97 HydrophobicContact CD1-CE2 3.31Å; L93-Y97 HydrophobicContact CD2-CD2 4.45Å; L93-Y97 HydrophobicContact CD2-CE2 3.81Å; L93-Y97 HydrophobicContact CG-CD2 3.65Å; L93-Y97 HydrophobicContact CG-CE2 3.36Å; L93-Y97 WeakPolarHBondContact O-CB 3.38Å; L93-Y97 WeakPolarHBondContact O-CD2 3.42Å; L93-Y97 PolarHBondContact O-N 3.46Å; A94-Y97 PolarHBondContact O-N 3.32Å; Y97-T99 VanDerWaalsContact C-N 3.32Å; Y97-E100 PolarHBondContact O-N 3.37Å; Y97-A101 WeakPolarHBondContact O-CB 3.33Å; Y97-A101 PolarHBondContact O-N 2.96Å
98	Y	98.4	Very high	96.6	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-35.8	172.8	-63.7	-41.4	0	0	0	112	R79 G82 N83 W86 A94 R96 A101 I102 N117 V121	R79-Y98 HydrophobicContact CG-CD1 4.35Å; R79-Y98 HydrophobicContact CG-CE1 4.32Å; R79-Y98 WeakPolarHBondContact O-CE1 3.42Å; G82-Y98 VanDerWaalsContact C-CE1 3.44Å; G82-Y98 VanDerWaalsContact C-OH 3.29Å; G82-Y98 PolarHBondContact O-OH 2.73Å; N83-Y98 VanDerWaalsContact CA-OH 3.31Å; N83-Y98 WeakPolarHBondContact CA-OH 3.3Å; N83-Y98 PolarHBondContact N-OH 2.82Å; N83-Y98 PolarHBondContact OD1-OH 3.43Å; N83-Y98 VanDerWaalsContact OD1-OH 3.04Å; W86-Y98 HydrophobicContact CB-CE2 4.47Å; W86-Y98 WeakPolarHBondContact CB-OH 3.46Å; A94-Y98 HydrophobicContact CB-CD2 4.45Å; A94-Y98 HydrophobicContact CB-CE2 4.11Å; A94-Y98 WeakPolarHBondContact O-CB 3.36Å; A94-Y98 WeakPolarHBondContact O-CD2 3.47Å; A94-Y98 PolarHBondContact O-N 3.28Å; R96-Y98 PolarHBondContact O-N 3.36Å; Y98-A101 PolarHBondContact O-N 3.47Å; Y98-I102 WeakPolarHBondContact O-CD1 3.47Å; Y98-I102 VanDerWaalsContact O-CG1 3.27Å; Y98-I102 WeakPolarHBondContact O-CG1 3.32Å; Y98-I102 PolarHBondContact O-N 3.05Å; Y98-I102 VanDerWaalsContact O-N 3.08Å; Y98-N117 HydrophobicContact CD1-CB 3.65Å; Y98-N117 HydrophobicContact CD2-CB 4.09Å; Y98-N117 HydrophobicContact CE1-CB 3.57Å; Y98-N117 WeakPolarHBondContact CE1-ND2 3.19Å; Y98-N117 HydrophobicContact CE2-CB 4.01Å; Y98-N117 HydrophobicContact CG-CB 3.91Å; Y98-V121 HydrophobicContact CD2-CG2 3.59Å; Y98-V121 HydrophobicContact CE2-CG2 3.55Å
99	T	97.1	Very high	96.6	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-48.7	172.3	-58.6	0	0	0	0	110.9	L95 R96 Y97 A101 I102 F103 R118 F828	L95-T99 WeakPolarHBondContact O-CB 3.42Å; L95-T99 PolarHBondContact O-N 3.37Å; L95-T99 VanDerWaalsContact O-N 3.08Å; L95-T99 PolarHBondContact O-OG1 3.19Å; R96-T99 WeakPolarHBondContact O-CB 3.48Å; R96-T99 PolarHBondContact O-N 2.84Å; R96-T99 VanDerWaalsContact O-N 3.11Å; Y97-T99 VanDerWaalsContact C-N 3.32Å; T99-A101 VanDerWaalsContact C-N 3.29Å; T99-A101 PolarHBondContact O-N 3.03Å; T99-I102 PolarHBondContact O-N 2.9Å; T99-F103 HydrophobicContact CG2-CD2 4.04Å; T99-F103 HydrophobicContact CG2-CE2 3.92Å; T99-F103 VanDerWaalsContact O-CD2 3.24Å; T99-F103 WeakPolarHBondContact O-CD2 3.45Å; T99-F103 PolarHBondContact O-N 3.25Å; T99-F103 VanDerWaalsContact O-N 3.09Å; T99-R118 VanDerWaalsContact OG1-CD 3.28Å; T99-R118 WeakPolarHBondContact OG1-CD 3.44Å; T99-F828 HydrophobicContact CG2-CE1 4.48Å
100	E	96.2	Very high	96.8	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-42.9	175.6	-65.2	-175.7	-179.6	0	0	111.4	M1 K78 R96 Y97 I102 F103 F104	M1-E100 HydrophobicContact CG-CG 3.97Å; M1-E100 HydrophobicContact SD-CB 4.04Å; M1-E100 HydrophobicContact SD-CG 3.73Å; K78-E100 HydrophobicContact CD-CB 4.26Å; K78-E100 WeakPolarHBondContact CD-OE2 3.4Å; K78-E100 VanDerWaalsContact CE-OE2 3.3Å; K78-E100 WeakPolarHBondContact CE-OE2 3.29Å; K78-E100 HydrophobicContact CG-CB 4.35Å; K78-E100 IonicContact NZ-OE2 3.95Å; K78-E100 PolarHBondContact NZ-OE2 3.49Å; R96-E100 HydrophobicContact CG-CG 4.38Å; R96-E100 IonicContact CZ-OE1 3.59Å; R96-E100 IonicContact NE-OE1 3Å; R96-E100 PolarHBondContact NE-OE1 2.69Å; R96-E100 IonicContact NH2-OE1 3.24Å; R96-E100 WeakPolarHBondContact O-CG 3.28Å; R96-E100 PolarHBondContact O-N 3.49Å; Y97-E100 PolarHBondContact O-N 3.37Å; E100-I102 PolarHBondContact O-N 3.3Å; E100-F103 PolarHBondContact O-N 2.99Å; E100-F103 VanDerWaalsContact O-N 3.14Å; E100-F104 VanDerWaalsContact O-CD2 3.25Å; E100-F104 WeakPolarHBondContact O-CD2 3.44Å; E100-F104 PolarHBondContact O-N 3.36Å
101	A	98.2	Very high	96.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-46.3	177	0	0	0	0	0	112.5	A75 K78 R79 Y97 Y98 T99 F103 F104 A105	A75-A101 WeakPolarHBondContact CB-O 3.47Å; A75-A101 WeakPolarHBondContact O-CB 3.31Å; K78-A101 HydrophobicContact CB-CB 3.88Å; R79-A101 HydrophobicContact CB-CB 3.91Å; Y97-A101 WeakPolarHBondContact O-CB 3.33Å; Y97-A101 PolarHBondContact O-N 2.96Å; Y98-A101 PolarHBondContact O-N 3.47Å; T99-A101 VanDerWaalsContact C-N 3.29Å; T99-A101 PolarHBondContact O-N 3.03Å; A101-F103 VanDerWaalsContact C-N 3.29Å; A101-F103 PolarHBondContact O-N 2.81Å; A101-F104 PolarHBondContact O-N 2.99Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 3.48Å
102	I	98.2	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-40	176.6	-67.4	160.1	0	0	0	111	Y98 T99 E100 A105 Y115 R118 P325	Y98-I102 WeakPolarHBondContact O-CD1 3.47Å; Y98-I102 VanDerWaalsContact O-CG1 3.27Å; Y98-I102 WeakPolarHBondContact O-CG1 3.32Å; Y98-I102 PolarHBondContact O-N 3.05Å; Y98-I102 VanDerWaalsContact O-N 3.08Å; T99-I102 PolarHBondContact O-N 2.9Å; E100-I102 PolarHBondContact O-N 3.3Å; I102-A105 PolarHBondContact O-N 2.82Å; I102-Y115 HydrophobicContact CD1-CD1 3.66Å; I102-Y115 HydrophobicContact CD1-CE1 3.96Å; I102-Y115 HydrophobicContact CD1-CG 4.26Å; I102-Y115 HydrophobicContact CG1-CD1 4.25Å; I102-Y115 HydrophobicContact CG1-CE1 4.38Å; I102-Y115 HydrophobicContact CG2-CD1 4.34Å; I102-Y115 HydrophobicContact CG2-CE1 3.66Å; I102-Y115 HydrophobicContact CG2-CE2 4.22Å; I102-R118 HydrophobicContact CD1-CB 4.01Å; I102-P325 HydrophobicContact CG2-CG 3.94Å
103	F	96.8	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.7	-39.7	-179.6	-88	-110	0	0	0	112.5	M1 K70 T99 E100 A101 L310 P323 P325 T330 V332	M1-F103 HydrophobicContact CE-CB 3.68Å; M1-F103 HydrophobicContact CE-CG 4.46Å; M1-F103 HydrophobicContact SD-CB 3.96Å; M1-F103 HydrophobicContact SD-CG 4.27Å; K70-F103 PolarHBondContact NZ-O 3.37Å; T99-F103 HydrophobicContact CG2-CD2 4.04Å; T99-F103 HydrophobicContact CG2-CE2 3.92Å; T99-F103 VanDerWaalsContact O-CD2 3.24Å; T99-F103 WeakPolarHBondContact O-CD2 3.45Å; T99-F103 PolarHBondContact O-N 3.25Å; T99-F103 VanDerWaalsContact O-N 3.09Å; E100-F103 PolarHBondContact O-N 2.99Å; E100-F103 VanDerWaalsContact O-N 3.14Å; A101-F103 VanDerWaalsContact C-N 3.29Å; A101-F103 PolarHBondContact O-N 2.81Å; F103-L310 HydrophobicContact CD1-CD2 3.6Å; F103-L310 HydrophobicContact CE1-CD2 3.04Å; F103-L310 HydrophobicContact CE2-CD2 4.27Å; F103-L310 HydrophobicContact CG-CD2 4.41Å; F103-L310 HydrophobicContact CZ-CD2 3.43Å; F103-L310 VanDerWaalsContact CZ-CD2 3.43Å; F103-P323 HydrophobicContact CE2-CG 3.97Å; F103-P323 HydrophobicContact CZ-CB 4.18Å; F103-P323 HydrophobicContact CZ-CG 3.94Å; F103-P325 HydrophobicContact CB-CB 4.37Å; F103-P325 HydrophobicContact CD1-CB 3.69Å; F103-P325 HydrophobicContact CD2-CB 3.92Å; F103-P325 HydrophobicContact CD2-CG 4.44Å; F103-P325 HydrophobicContact CE1-CB 3.79Å; F103-P325 HydrophobicContact CE2-CB 4.05Å; F103-P325 HydrophobicContact CG-CB 3.76Å; F103-P325 HydrophobicContact CZ-CB 3.99Å; F103-T330 WeakPolarHBondContact CD1-O 3.38Å; F103-T330 VanDerWaalsContact O-CG2 3.31Å; F103-T330 WeakPolarHBondContact O-CG2 3.37Å; F103-V332 WeakPolarHBondContact CE1-O 3.26Å
104	F	96.5	Very high	97.4	Very high	25 Å²	25	25.5 Å²	25.5	11%	0.11	13%	0.129	C	C	.	.	H	α-helix	trans	-77.4	-20.5	176.4	-78.1	-73.9	0	0	0	114.1	M1 K70 N71 I74 A75 K78 E100 A101 A106 T330	M1-F104 HydrophobicContact CE-CD2 3.68Å; M1-F104 HydrophobicContact CE-CE2 3.22Å; M1-F104 HydrophobicContact CE-CG 4.49Å; M1-F104 HydrophobicContact CE-CZ 3.69Å; M1-F104 HydrophobicContact SD-CE2 4.49Å; K70-F104 CarbonylContact C-O 3.5Å; K70-F104 WeakPolarHBondContact CA-O 3.31Å; K70-F104 WeakPolarHBondContact CB-O 3.35Å; N71-F104 CarbonylContact C-O 3.51Å; N71-F104 PolarHBondContact N-O 2.8Å; I74-F104 HydrophobicContact CB-CB 4.46Å; I74-F104 HydrophobicContact CB-CD1 4.18Å; I74-F104 HydrophobicContact CB-CG 4.26Å; I74-F104 HydrophobicContact CD1-CD1 4.44Å; I74-F104 HydrophobicContact CD1-CE1 4.37Å; I74-F104 HydrophobicContact CG2-CB 4.25Å; I74-F104 HydrophobicContact CG2-CD1 3.75Å; I74-F104 HydrophobicContact CG2-CD2 3.77Å; I74-F104 HydrophobicContact CG2-CE1 4Å; I74-F104 HydrophobicContact CG2-CE2 4Å; I74-F104 HydrophobicContact CG2-CG 3.66Å; I74-F104 HydrophobicContact CG2-CZ 4.12Å; A75-F104 HydrophobicContact CB-CB 3.93Å; K78-F104 HydrophobicContact CG-CD2 4.41Å; E100-F104 VanDerWaalsContact O-CD2 3.25Å; E100-F104 WeakPolarHBondContact O-CD2 3.44Å; E100-F104 PolarHBondContact O-N 3.36Å; A101-F104 PolarHBondContact O-N 2.99Å; F104-A106 PolarHBondContact O-N 3.29Å; F104-T330 HydrophobicContact CD1-CG2 3.77Å; F104-T330 HydrophobicContact CE1-CG2 4.03Å; F104-T330 HydrophobicContact CG-CG2 4.28Å
105	A	97.7	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.			trans	-63.5	118.3	-176	0	0	0	0	0	112.3	K70 A75 A101 I102 E110 K111	K70-A105 WeakPolarHBondContact CD-O 3.08Å; A75-A105 HydrophobicContact CB-CB 4.07Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 3.48Å; I102-A105 PolarHBondContact O-N 2.82Å; A105-E110 HydrophobicContact CB-CB 3.82Å; A105-K111 HydrophobicContact CB-CB 4.4Å; A105-K111 HydrophobicContact CB-CG 3.6Å; A105-K111 VanDerWaalsContact O-CE 3.24Å; A105-K111 WeakPolarHBondContact O-CE 3.19Å
106	A	96	Very high	97.5	Very high	49 Å²	49	25.6 Å²	25.6	41%	0.405	13%	0.129	S	C	.	.			trans	-85.3	-48.3	172.6	0	0	0	0	0	110.3	K70 D72 F104	K70-A106 HydrophobicContact CB-CB 3.79Å; D72-A106 WeakPolarHBondContact OD1-CA 3.23Å; D72-A106 WeakPolarHBondContact OD1-CB 3.38Å; D72-A106 PolarHBondContact OD1-N 2.77Å; F104-A106 PolarHBondContact O-N 3.29Å
107	S	97.1	Very high	97.7	Very high	22 Å²	22	21.8 Å²	21.8	15%	0.154	12%	0.117	C	C	.	.	S	Bend	trans	-78.5	150.1	-177.6	59.9	0	0	0	0	113.6	D72 E109 E110 K111	D72-S107 PolarHBondContact OD1-N 3.47Å; D72-S107 PolarHBondContact OD1-OG 3.48Å; D72-S107 WeakPolarHBondContact OD2-CB 3.47Å; D72-S107 PolarHBondContact OD2-N 3.03Å; D72-S107 PolarHBondContact OD2-OG 2.88Å; S107-E109 VanDerWaalsContact CB-OE2 3.31Å; S107-E109 WeakPolarHBondContact CB-OE2 3.4Å; S107-E109 PolarHBondContact O-N 3.34Å; S107-E110 PolarHBondContact OG-N 3.05Å; S107-K111 WeakPolarHBondContact O-CG 3.42Å; S107-K111 PolarHBondContact O-N 2.99Å
108	P	97.1	Very high	97.7	Very high	58 Å²	58	19 Å²	19	38%	0.377	11%	0.106	S	C	.	.	H	α-helix	trans	-53.6	-39.4	169.2	-26.7	36.1	0	0	0	112.9	K111 A112 Y141	P108-K111 WeakPolarHBondContact O-CB 3.43Å; P108-K111 PolarHBondContact O-N 3.03Å; P108-A112 WeakPolarHBondContact O-CB 3.31Å; P108-A112 PolarHBondContact O-N 3.07Å; P108-Y141 HydrophobicContact CB-CD1 4.13Å; P108-Y141 WeakPolarHBondContact O-CB 3.49Å
109	E	97.2	Very high	97.7	Very high	117 Å²	117	18.9 Å²	18.9	55%	0.547	11%	0.106	S	C	.	.	H	α-helix	trans	-61.5	-50.2	-176.3	-66	74.7	-166.4	0	0	111.5	S107 K111 A112 L113	S107-E109 VanDerWaalsContact CB-OE2 3.31Å; S107-E109 WeakPolarHBondContact CB-OE2 3.4Å; S107-E109 PolarHBondContact O-N 3.34Å; E109-K111 VanDerWaalsContact C-N 3.35Å; E109-K111 PolarHBondContact O-N 2.88Å; E109-A112 PolarHBondContact O-N 3.17Å; E109-L113 WeakPolarHBondContact O-CG 3.4Å; E109-L113 PolarHBondContact O-N 2.83Å; E109-L113 VanDerWaalsContact O-N 3.1Å
110	E	97.8	Very high	97.7	Very high	28 Å²	28	19.8 Å²	19.8	13%	0.131	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-32.9	178.1	-75	-60.5	153	0	0	112.2	D72 A75 R79 A105 S107 L113 G114	D72-E110 HydrophobicContact CB-CG 4.23Å; A75-E110 HydrophobicContact CB-CB 4.43Å; R79-E110 IonicContact CZ-OE1 2.98Å; R79-E110 IonicContact CZ-OE2 2.67Å; R79-E110 IonicContact NE-OE2 3.37Å; R79-E110 PolarHBondContact NE-OE2 3.09Å; R79-E110 IonicContact NH2-OE1 2.67Å; R79-E110 PolarHBondContact NH2-OE1 2.99Å; R79-E110 IonicContact NH2-OE2 3.38Å; R79-E110 PolarHBondContact NH2-OE2 2.92Å; A105-E110 HydrophobicContact CB-CB 3.82Å; S107-E110 PolarHBondContact OG-N 3.05Å; E110-L113 PolarHBondContact O-N 2.96Å; E110-G114 PolarHBondContact O-N 3.28Å
111	K	97.8	Very high	97.7	Very high	29 Å²	29	19.1 Å²	19.1	13%	0.126	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-49.3	171.7	-75.1	177.3	-177.2	172.5	0	111.2	A105 S107 P108 E109 L113 G114 Y115 Y141	A105-K111 HydrophobicContact CB-CB 4.4Å; A105-K111 HydrophobicContact CB-CG 3.6Å; A105-K111 VanDerWaalsContact O-CE 3.24Å; A105-K111 WeakPolarHBondContact O-CE 3.19Å; S107-K111 WeakPolarHBondContact O-CG 3.42Å; S107-K111 PolarHBondContact O-N 2.99Å; P108-K111 WeakPolarHBondContact O-CB 3.43Å; P108-K111 PolarHBondContact O-N 3.03Å; E109-K111 VanDerWaalsContact C-N 3.35Å; E109-K111 PolarHBondContact O-N 2.88Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-L113 PolarHBondContact O-N 3.29Å; K111-G114 PolarHBondContact O-N 2.89Å; K111-Y115 HydrophobicContact CB-CD2 4.39Å; K111-Y115 HydrophobicContact CB-CE2 4.15Å; K111-Y115 WeakPolarHBondContact O-CD2 3.49Å; K111-Y115 PolarHBondContact O-N 3.17Å; K111-Y141 HydrophobicContact CB-CD1 4.49Å; K111-Y141 HydrophobicContact CB-CD2 4.12Å; K111-Y141 HydrophobicContact CB-CG 4.08Å; K111-Y141 HydrophobicContact CD-CD1 4.18Å; K111-Y141 HydrophobicContact CD-CE1 3.92Å; K111-Y141 HydrophobicContact CD-CE2 4.3Å; K111-Y141 HydrophobicContact CD-CG 4.47Å
112	A	98.4	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-47.6	-179.4	0	0	0	0	0	111.1	P108 E109 G114 Y115 G116 Y141 F143	P108-A112 WeakPolarHBondContact O-CB 3.31Å; P108-A112 PolarHBondContact O-N 3.07Å; E109-A112 PolarHBondContact O-N 3.17Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-G114 PolarHBondContact O-N 3.47Å; A112-Y115 PolarHBondContact O-N 3.1Å; A112-G116 PolarHBondContact O-N 3.46Å; A112-Y141 WeakPolarHBondContact CB-O 3.2Å; A112-F143 HydrophobicContact CB-CB 4.32Å; A112-F143 HydrophobicContact CB-CD2 4.1Å; A112-F143 WeakPolarHBondContact O-CD2 3.31Å; A112-F143 WeakPolarHBondContact O-CE2 3.38Å
113	L	98.5	Very high	97.4	Very high	22 Å²	22	20.5 Å²	20.5	12%	0.115	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-42.7	176.8	-66.4	178.2	0	0	0	112.1	E109 E110 K111 G116 N117 F143 P144	E109-L113 WeakPolarHBondContact O-CG 3.4Å; E109-L113 PolarHBondContact O-N 2.83Å; E109-L113 VanDerWaalsContact O-N 3.1Å; E110-L113 PolarHBondContact O-N 2.96Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-L113 PolarHBondContact O-N 3.29Å; L113-G116 PolarHBondContact O-N 3.46Å; L113-N117 WeakPolarHBondContact O-CB 3.46Å; L113-N117 PolarHBondContact O-N 3.22Å; L113-F143 HydrophobicContact CD2-CE2 4.13Å; L113-P144 HydrophobicContact CD2-CG 4.25Å
114	G	98.3	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-53.1	175.7	0	0	0	0	0	112.7	E110 K111 A112 N117 R118	E110-G114 PolarHBondContact O-N 3.28Å; K111-G114 PolarHBondContact O-N 2.89Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-G114 PolarHBondContact O-N 3.47Å; G114-N117 PolarHBondContact O-N 3.03Å; G114-R118 WeakPolarHBondContact O-CB 3.48Å; G114-R118 PolarHBondContact O-N 3.48Å
115	Y	98.7	Very high	96.9	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-42.4	178.7	-70.1	-59.2	0	0	0	112.6	I102 K111 A112 N117 R118 S119 D134 L137 Y141	I102-Y115 HydrophobicContact CD1-CD1 3.66Å; I102-Y115 HydrophobicContact CD1-CE1 3.96Å; I102-Y115 HydrophobicContact CD1-CG 4.26Å; I102-Y115 HydrophobicContact CG1-CD1 4.25Å; I102-Y115 HydrophobicContact CG1-CE1 4.38Å; I102-Y115 HydrophobicContact CG2-CD1 4.34Å; I102-Y115 HydrophobicContact CG2-CE1 3.66Å; I102-Y115 HydrophobicContact CG2-CE2 4.22Å; K111-Y115 HydrophobicContact CB-CD2 4.39Å; K111-Y115 HydrophobicContact CB-CE2 4.15Å; K111-Y115 WeakPolarHBondContact O-CD2 3.49Å; K111-Y115 PolarHBondContact O-N 3.17Å; A112-Y115 PolarHBondContact O-N 3.1Å; Y115-N117 PolarHBondContact O-N 3.34Å; Y115-R118 PolarHBondContact O-N 3.33Å; Y115-S119 WeakPolarHBondContact O-CB 3.36Å; Y115-S119 PolarHBondContact O-N 3.45Å; Y115-S119 PolarHBondContact O-OG 3Å; Y115-S119 VanDerWaalsContact O-OG 3.06Å; Y115-D134 WeakPolarHBondContact CB-O 3.39Å; Y115-L137 HydrophobicContact CD1-CB 4.13Å; Y115-L137 HydrophobicContact CD1-CD1 4.14Å; Y115-L137 HydrophobicContact CD2-CB 3.73Å; Y115-L137 HydrophobicContact CE1-CB 4.25Å; Y115-L137 HydrophobicContact CE1-CD1 3.69Å; Y115-L137 HydrophobicContact CE2-CB 3.86Å; Y115-L137 HydrophobicContact CE2-CD1 4.47Å; Y115-L137 HydrophobicContact CG-CB 3.89Å; Y115-Y141 HydrophobicContact CD2-CD2 4.03Å; Y115-Y141 HydrophobicContact CD2-CE2 4.47Å; Y115-Y141 AromaticContact CE2-CD2 3.72Å; Y115-Y141 HydrophobicContact CE2-CD2 3.72Å; Y115-Y141 AromaticContact CE2-CE2 3.73Å; Y115-Y141 HydrophobicContact CE2-CE2 3.73Å
116	G	98.5	Very high	96.5	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-31.2	176.5	0	0	0	0	0	113.2	A112 L113 S119 C120 R154	A112-G116 PolarHBondContact O-N 3.46Å; L113-G116 PolarHBondContact O-N 3.46Å; G116-S119 PolarHBondContact O-OG 3.02Å; G116-C120 PolarHBondContact O-SG 3.11Å; G116-C120 VanDerWaalsContact O-SG 3.4Å; G116-R154 PolarHBondContact O-NH1 3.21Å
117	N	98.3	Very high	96.3	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-81.6	-43.3	175.6	-78.8	6.6	0	0	0	112.8	N83 Y98 L113 G114 Y115 S119 C120	N83-N117 PolarHBondContact OD1-ND2 2.72Å; Y98-N117 HydrophobicContact CD1-CB 3.65Å; Y98-N117 HydrophobicContact CD2-CB 4.09Å; Y98-N117 HydrophobicContact CE1-CB 3.57Å; Y98-N117 WeakPolarHBondContact CE1-ND2 3.19Å; Y98-N117 HydrophobicContact CE2-CB 4.01Å; Y98-N117 HydrophobicContact CG-CB 3.91Å; L113-N117 WeakPolarHBondContact O-CB 3.46Å; L113-N117 PolarHBondContact O-N 3.22Å; G114-N117 PolarHBondContact O-N 3.03Å; Y115-N117 PolarHBondContact O-N 3.34Å; N117-S119 VanDerWaalsContact C-N 3.28Å; N117-S119 PolarHBondContact O-N 2.95Å; N117-C120 WeakPolarHBondContact O-CB 3.2Å; N117-C120 PolarHBondContact O-N 3.45Å
118	R	98.2	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-39.8	177.1	-171.2	171.8	68.1	177.9	2	111.3	L95 T99 I102 G114 Y115 C120 V121 L122 D134 N322 P323	L95-R118 HydrophobicContact CD1-CG 3.92Å; T99-R118 VanDerWaalsContact OG1-CD 3.28Å; T99-R118 WeakPolarHBondContact OG1-CD 3.44Å; I102-R118 HydrophobicContact CD1-CB 4.01Å; G114-R118 WeakPolarHBondContact O-CB 3.48Å; G114-R118 PolarHBondContact O-N 3.48Å; Y115-R118 PolarHBondContact O-N 3.33Å; R118-C120 PolarHBondContact O-N 3.45Å; R118-V121 PolarHBondContact O-N 2.94Å; R118-L122 HydrophobicContact CG-CD1 4.04Å; R118-L122 HydrophobicContact CG-CG 4.27Å; R118-L122 WeakPolarHBondContact O-CG 3.18Å; R118-L122 PolarHBondContact O-N 3.11Å; R118-D134 WeakPolarHBondContact CB-OD2 3.45Å; R118-D134 WeakPolarHBondContact CG-OD2 3.42Å; R118-D134 IonicContact CZ-OD1 3.36Å; R118-D134 IonicContact CZ-OD2 3Å; R118-D134 IonicContact NE-OD1 3.25Å; R118-D134 IonicContact NE-OD2 3.97Å; R118-D134 PolarHBondContact NE-OD2 3.07Å; R118-D134 IonicContact NH2-OD1 2.87Å; R118-D134 PolarHBondContact NH2-OD1 2.93Å; R118-D134 IonicContact NH2-OD2 2.84Å; R118-D134 PolarHBondContact NH2-OD2 3.12Å; R118-N322 PolarHBondContact NH2-O 2.82Å; R118-P323 PolarHBondContact NH1-O 3.28Å
119	S	98.3	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-26.7	174.5	60.2	0	0	0	0	114	Y115 G116 N117 S123 R154	Y115-S119 WeakPolarHBondContact O-CB 3.36Å; Y115-S119 PolarHBondContact O-N 3.45Å; Y115-S119 PolarHBondContact O-OG 3Å; Y115-S119 VanDerWaalsContact O-OG 3.06Å; G116-S119 PolarHBondContact O-OG 3.02Å; N117-S119 VanDerWaalsContact C-N 3.28Å; N117-S119 PolarHBondContact O-N 2.95Å; S119-S123 VanDerWaalsContact O-CB 3.25Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 3.31Å; S119-R154 WeakPolarHBondContact O-CD 3.4Å; S119-R154 PolarHBondContact OG-NH1 3.29Å
120	C	97	Very high	95.8	Very high	23 Å²	23	24.6 Å²	24.6	16%	0.155	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-47.6	171	-59.1	0	0	0	0	111	W86 G116 N117 R118 S123 R124 R154	W86-C120 HydrophobicContact CH2-CB 4.01Å; W86-C120 HydrophobicContact CZ2-CB 4.03Å; W86-C120 HydrophobicContact CZ3-CB 4.45Å; G116-C120 PolarHBondContact O-SG 3.11Å; G116-C120 VanDerWaalsContact O-SG 3.4Å; N117-C120 WeakPolarHBondContact O-CB 3.2Å; N117-C120 PolarHBondContact O-N 3.45Å; R118-C120 PolarHBondContact O-N 3.45Å; C120-S123 PolarHBondContact O-N 3.22Å; C120-R124 PolarHBondContact O-N 3.17Å; C120-R124 VanDerWaalsContact O-N 3.08Å; C120-R154 PolarHBondContact SG-NH1 3Å; C120-R154 PolarHBondContact SG-NH2 2.88Å
121	V	96.7	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.2	-48.2	-177.4	-170.8	0	0	0	0	109.8	W86 L91 A94 L95 Y98 R118 S123 R124 I125	W86-V121 HydrophobicContact CE3-CG2 3.78Å; W86-V121 HydrophobicContact CZ3-CB 4.34Å; W86-V121 HydrophobicContact CZ3-CG2 3.95Å; L91-V121 HydrophobicContact CB-CG1 4.36Å; L91-V121 WeakPolarHBondContact O-CG1 3.33Å; A94-V121 HydrophobicContact CB-CG2 3.85Å; L95-V121 HydrophobicContact CB-CG1 3.89Å; Y98-V121 HydrophobicContact CD2-CG2 3.59Å; Y98-V121 HydrophobicContact CE2-CG2 3.55Å; R118-V121 PolarHBondContact O-N 2.94Å; V121-S123 VanDerWaalsContact C-N 3.26Å; V121-S123 PolarHBondContact O-N 3.38Å; V121-R124 WeakPolarHBondContact O-CB 3.46Å; V121-R124 PolarHBondContact O-N 3.27Å; V121-I125 HydrophobicContact CG1-CG2 4.49Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 2.97Å
122	L	95.9	Very high	95.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.2	-40.8	177	-67.3	171.5	0	0	0	112.2	L95 R118 I125 G126 V127 A130 V131 D134 I321 N322	L95-L122 HydrophobicContact CD1-CD2 3.99Å; L95-L122 HydrophobicContact CD1-CG 4.4Å; R118-L122 HydrophobicContact CG-CD1 4.04Å; R118-L122 HydrophobicContact CG-CG 4.27Å; R118-L122 WeakPolarHBondContact O-CG 3.18Å; R118-L122 PolarHBondContact O-N 3.11Å; L122-I125 HydrophobicContact CD2-CD1 4.08Å; L122-I125 WeakPolarHBondContact O-CG1 3.49Å; L122-I125 PolarHBondContact O-N 3.01Å; L122-G126 PolarHBondContact O-N 2.72Å; L122-G126 VanDerWaalsContact O-N 3.17Å; L122-V127 PolarHBondContact O-N 3.07Å; L122-A130 HydrophobicContact CD1-CB 3.83Å; L122-A130 HydrophobicContact CD2-CB 4.19Å; L122-A130 HydrophobicContact CG-CB 4.48Å; L122-V131 HydrophobicContact CB-CG2 3.59Å; L122-D134 HydrophobicContact CD1-CB 4.49Å; L122-D134 VanDerWaalsContact CD1-OD2 3.29Å; L122-D134 WeakPolarHBondContact CD1-OD2 3.46Å; L122-I321 HydrophobicContact CD2-CD1 3.96Å; L122-I321 HydrophobicContact CD2-CG1 4.09Å; L122-I321 HydrophobicContact CD2-CG2 4.33Å; L122-N322 HydrophobicContact CD1-CB 4Å
123	S	94.7	Very high	95.8	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-41.9	176.4	176.9	0	0	0	0	111.7	S119 C120 V121 I125 G126	S119-S123 VanDerWaalsContact O-CB 3.25Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 3.31Å; C120-S123 PolarHBondContact O-N 3.22Å; V121-S123 VanDerWaalsContact C-N 3.26Å; V121-S123 PolarHBondContact O-N 3.38Å; S123-I125 VanDerWaalsContact C-N 3.34Å; S123-I125 PolarHBondContact O-N 3.31Å; S123-G126 PolarHBondContact O-N 2.95Å; S123-G126 VanDerWaalsContact O-N 3.15Å
124	R	91.9	Very high	95.8	Very high	158 Å²	158	24.4 Å²	24.4	60%	0.596	12%	0.124	S	C	*	.	H	α-helix	trans	-64.1	-37.6	177.2	179	65.6	77.6	141.2	9.2	112.7	W86 L91 C120 V121 G126	W86-R124 HydrophobicContact CH2-CB 3.96Å; W86-R124 HydrophobicContact CH2-CG 4.42Å; W86-R124 HydrophobicContact CZ3-CB 4.08Å; W86-R124 HydrophobicContact CZ3-CG 4.43Å; L91-R124 HydrophobicContact CD1-CG 3.72Å; L91-R124 HydrophobicContact CD2-CG 3.93Å; C120-R124 PolarHBondContact O-N 3.17Å; C120-R124 VanDerWaalsContact O-N 3.08Å; V121-R124 WeakPolarHBondContact O-CB 3.46Å; V121-R124 PolarHBondContact O-N 3.27Å; R124-G126 VanDerWaalsContact C-N 3.26Å
125	I	90.5	Very high	95.8	Very high	15 Å²	15	24.4 Å²	24.4	8%	0.077	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.3	177.2	64.6	166.3	0	0	0	112.9	L91 L95 V121 L122 S123 V127 P216 I321 I823 I824	L91-I125 HydrophobicContact CB-CG2 4.47Å; L91-I125 HydrophobicContact CD1-CG2 4.1Å; L95-I125 HydrophobicContact CD2-CD1 4.45Å; V121-I125 HydrophobicContact CG1-CG2 4.49Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 2.97Å; L122-I125 HydrophobicContact CD2-CD1 4.08Å; L122-I125 WeakPolarHBondContact O-CG1 3.49Å; L122-I125 PolarHBondContact O-N 3.01Å; S123-I125 VanDerWaalsContact C-N 3.34Å; S123-I125 PolarHBondContact O-N 3.31Å; I125-V127 HydrophobicContact CD1-CB 4.24Å; I125-V127 HydrophobicContact CD1-CG2 3.61Å; I125-V127 HydrophobicContact CG1-CB 4.29Å; I125-V127 HydrophobicContact CG1-CG2 3.79Å; I125-P216 WeakPolarHBondContact O-CB 3.31Å; I125-P216 WeakPolarHBondContact O-CG 3.26Å; I125-I321 HydrophobicContact CD1-CD1 3.79Å; I125-I823 HydrophobicContact CG2-CG2 4.11Å; I125-I824 HydrophobicContact CD1-CD1 4.32Å; I125-I824 HydrophobicContact CD1-CG1 4.16Å
126	G	89.3	Confident	95.7	Very high	28 Å²	28	28.4 Å²	28.4	29%	0.289	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	18.1	176.1	0	0	0	0	0	115.8	L122 S123 R124 H128	L122-G126 PolarHBondContact O-N 2.72Å; L122-G126 VanDerWaalsContact O-N 3.17Å; S123-G126 PolarHBondContact O-N 2.95Å; S123-G126 VanDerWaalsContact O-N 3.15Å; R124-G126 VanDerWaalsContact C-N 3.26Å; G126-H128 PolarHBondContact O-CD2 2.84Å; G126-H128 VanDerWaalsContact O-CD2 3.24Å; G126-H128 PolarHBondContact O-N 3.47Å
127	V	91.4	Very high	95.7	Very high	15 Å²	15	28.8 Å²	28.8	9%	0.091	15%	0.147	C	C	.	.			trans	-96.7	69.4	-179.1	-169.5	0	0	0	0	110.4	L122 I125 E129 A130 V131 P216 Y217 I321 I824	L122-V127 PolarHBondContact O-N 3.07Å; I125-V127 HydrophobicContact CD1-CB 4.24Å; I125-V127 HydrophobicContact CD1-CG2 3.61Å; I125-V127 HydrophobicContact CG1-CB 4.29Å; I125-V127 HydrophobicContact CG1-CG2 3.79Å; V127-E129 PolarHBondContact O-N 3.25Å; V127-A130 HydrophobicContact CG1-CB 3.91Å; V127-A130 PolarHBondContact O-N 2.91Å; V127-V131 PolarHBondContact O-N 2.85Å; V127-P216 HydrophobicContact CG2-CG 4.44Å; V127-Y217 HydrophobicContact CG1-CD1 3.81Å; V127-Y217 HydrophobicContact CG1-CG 4.4Å; V127-Y217 HydrophobicContact CG2-CG 4.33Å; V127-I321 HydrophobicContact CB-CD1 4.21Å; V127-I321 HydrophobicContact CG1-CD1 4.05Å; V127-I321 HydrophobicContact CG1-CG2 4.07Å; V127-I321 HydrophobicContact CG2-CD1 3.85Å; V127-I824 HydrophobicContact CG2-CD1 4.46Å
128	H	93.2	Very high	95.7	Very high	31 Å²	31	27.6 Å²	27.6	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-67.5	-33.8	-164.5	-64.6	-66	0	0	0	115.3	G126 A130 V131 L132 S158 S161 L162	G126-H128 PolarHBondContact O-CD2 2.84Å; G126-H128 VanDerWaalsContact O-CD2 3.24Å; G126-H128 PolarHBondContact O-N 3.47Å; H128-A130 VanDerWaalsContact C-N 3.3Å; H128-A130 PolarHBondContact O-N 3.35Å; H128-V131 VanDerWaalsContact O-CB 3.27Å; H128-V131 WeakPolarHBondContact O-CB 3.49Å; H128-V131 PolarHBondContact O-N 2.89Å; H128-V131 VanDerWaalsContact O-N 3.09Å; H128-L132 WeakPolarHBondContact O-CG 3.34Å; H128-L132 PolarHBondContact O-N 3.34Å; H128-L132 VanDerWaalsContact O-N 3.13Å; H128-S158 WeakPolarHBondContact ND1-CA 3.44Å; H128-S158 WeakPolarHBondContact ND1-CB 3.48Å; H128-S158 PolarHBondContact ND1-OG 3.2Å; H128-S161 WeakPolarHBondContact CD2-CB 3.36Å; H128-S161 PolarHBondContact CE1-OG 3.33Å; H128-S161 WeakPolarHBondContact NE2-CB 3.31Å; H128-S161 PolarHBondContact NE2-OG 3.35Å; H128-L162 HydrophobicContact CB-CD1 3.84Å; H128-L162 HydrophobicContact CB-CD2 3.94Å; H128-L162 HydrophobicContact CB-CG 3.66Å
129	E	93.4	Very high	95.6	Very high	106 Å²	106	29.6 Å²	29.6	50%	0.495	15%	0.151	S	C	.	.	H	α-helix	trans	-62.7	-39.1	175.7	-70.3	-64.1	169.8	0	0	111.8	V127 V131 L132 Q133 L162 R164	V127-E129 PolarHBondContact O-N 3.25Å; E129-V131 VanDerWaalsContact C-N 3.28Å; E129-V131 PolarHBondContact O-N 2.87Å; E129-L132 PolarHBondContact O-N 2.86Å; E129-Q133 PolarHBondContact O-N 3.3Å; E129-L162 HydrophobicContact CG-CD1 4.27Å; E129-L162 HydrophobicContact CG-CD2 4.06Å; E129-L162 WeakPolarHBondContact OE1-CD1 3.44Å; E129-R164 IonicContact OE1-NH1 3.52Å; E129-R164 IonicContact OE2-NH1 2.94Å
130	A	95.2	Very high	95.6	Very high	5 Å²	5	35 Å²	35	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-30.1	174.9	0	0	0	0	0	112.1	L122 V127 H128 D134 I321 N322	L122-A130 HydrophobicContact CD1-CB 3.83Å; L122-A130 HydrophobicContact CD2-CB 4.19Å; L122-A130 HydrophobicContact CG-CB 4.48Å; V127-A130 HydrophobicContact CG1-CB 3.91Å; V127-A130 PolarHBondContact O-N 2.91Å; H128-A130 VanDerWaalsContact C-N 3.3Å; H128-A130 PolarHBondContact O-N 3.35Å; A130-D134 WeakPolarHBondContact O-CB 3.45Å; A130-D134 PolarHBondContact O-N 3.24Å; A130-I321 HydrophobicContact CB-CG2 3.75Å; A130-N322 HydrophobicContact CB-CB 4.16Å; A130-N322 PolarHBondContact O-ND2 3.01Å
131	V	97.8	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-45.6	173.2	176.6	0	0	0	0	110.8	L122 V127 H128 E129 D134 I135 R154 S158	L122-V131 HydrophobicContact CB-CG2 3.59Å; V127-V131 PolarHBondContact O-N 2.85Å; H128-V131 VanDerWaalsContact O-CB 3.27Å; H128-V131 WeakPolarHBondContact O-CB 3.49Å; H128-V131 PolarHBondContact O-N 2.89Å; H128-V131 VanDerWaalsContact O-N 3.09Å; E129-V131 VanDerWaalsContact C-N 3.28Å; E129-V131 PolarHBondContact O-N 2.87Å; V131-D134 PolarHBondContact O-N 2.81Å; V131-I135 HydrophobicContact CG1-CD1 3.6Å; V131-I135 HydrophobicContact CG1-CG1 4.29Å; V131-I135 WeakPolarHBondContact O-CB 3.46Å; V131-I135 VanDerWaalsContact O-CG1 3.22Å; V131-I135 WeakPolarHBondContact O-CG1 3.34Å; V131-I135 PolarHBondContact O-N 3.31Å; V131-R154 HydrophobicContact CG1-CG 3.9Å; V131-S158 WeakPolarHBondContact CG1-OG 3.47Å
132	L	97.8	Very high	95.5	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-49.7	179.7	-56.1	-175.6	0	0	0	110.5	H128 E129 D134 I135 D136 R155 L159 L162	H128-L132 WeakPolarHBondContact O-CG 3.34Å; H128-L132 PolarHBondContact O-N 3.34Å; H128-L132 VanDerWaalsContact O-N 3.13Å; E129-L132 PolarHBondContact O-N 2.86Å; L132-D134 PolarHBondContact O-N 3.37Å; L132-I135 PolarHBondContact O-N 2.79Å; L132-D136 VanDerWaalsContact O-CG 3.27Å; L132-D136 PolarHBondContact O-N 3.32Å; L132-R155 HydrophobicContact CD2-CB 4.47Å; L132-R155 HydrophobicContact CD2-CG 3.46Å; L132-R155 VanDerWaalsContact CD2-CG 3.46Å; L132-L159 HydrophobicContact CD1-CD2 3.83Å; L132-L159 HydrophobicContact CD2-CD2 4.2Å; L132-L159 HydrophobicContact CD2-CG 4.03Å; L132-L162 HydrophobicContact CD1-CD1 3.79Å; L132-L162 HydrophobicContact CG-CD1 4.41Å
133	Q	97.3	Very high	95.6	Very high	58 Å²	58	42.1 Å²	42.1	27%	0.271	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-46	179	-174.5	179.7	28.7	0	0	112.6	E129 I135 D136 L137 N322 C335	E129-Q133 PolarHBondContact O-N 3.3Å; Q133-I135 VanDerWaalsContact C-N 3.32Å; Q133-I135 PolarHBondContact O-N 2.76Å; Q133-D136 PolarHBondContact O-N 3.04Å; Q133-L137 HydrophobicContact CG-CD1 4.14Å; Q133-L137 WeakPolarHBondContact O-CG 3.44Å; Q133-L137 PolarHBondContact O-N 3.2Å; Q133-N322 PolarHBondContact OE1-ND2 3.25Å; Q133-N322 PolarHBondContact OE1-OD1 3.46Å; Q133-C335 PolarHBondContact NE2-O 3.14Å; Q133-C335 VanDerWaalsContact NE2-O 3.14Å
134	D	98.5	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-37.3	178.6	-85.7	19	0	0	0	111.8	Y115 R118 L122 A130 V131 L132 L137 A138 N322	Y115-D134 WeakPolarHBondContact CB-O 3.39Å; R118-D134 WeakPolarHBondContact CB-OD2 3.45Å; R118-D134 WeakPolarHBondContact CG-OD2 3.42Å; R118-D134 IonicContact CZ-OD1 3.36Å; R118-D134 IonicContact CZ-OD2 3Å; R118-D134 IonicContact NE-OD1 3.25Å; R118-D134 IonicContact NE-OD2 3.97Å; R118-D134 PolarHBondContact NE-OD2 3.07Å; R118-D134 IonicContact NH2-OD1 2.87Å; R118-D134 PolarHBondContact NH2-OD1 2.93Å; R118-D134 IonicContact NH2-OD2 2.84Å; R118-D134 PolarHBondContact NH2-OD2 3.12Å; L122-D134 HydrophobicContact CD1-CB 4.49Å; L122-D134 VanDerWaalsContact CD1-OD2 3.29Å; L122-D134 WeakPolarHBondContact CD1-OD2 3.46Å; A130-D134 WeakPolarHBondContact O-CB 3.45Å; A130-D134 PolarHBondContact O-N 3.24Å; V131-D134 PolarHBondContact O-N 2.81Å; L132-D134 PolarHBondContact O-N 3.37Å; D134-L137 PolarHBondContact O-N 3.06Å; D134-A138 WeakPolarHBondContact O-CB 3.29Å; D134-A138 PolarHBondContact O-N 2.72Å; D134-N322 PolarHBondContact OD1-ND2 3.44Å
135	I	98.5	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-42.6	176.4	-68.2	169.6	0	0	0	110.7	V131 L132 Q133 L137 A138 I139 L151 R154 R155	V131-I135 HydrophobicContact CG1-CD1 3.6Å; V131-I135 HydrophobicContact CG1-CG1 4.29Å; V131-I135 WeakPolarHBondContact O-CB 3.46Å; V131-I135 VanDerWaalsContact O-CG1 3.22Å; V131-I135 WeakPolarHBondContact O-CG1 3.34Å; V131-I135 PolarHBondContact O-N 3.31Å; L132-I135 PolarHBondContact O-N 2.79Å; Q133-I135 VanDerWaalsContact C-N 3.32Å; Q133-I135 PolarHBondContact O-N 2.76Å; I135-L137 VanDerWaalsContact C-N 3.31Å; I135-L137 PolarHBondContact O-N 3.32Å; I135-A138 PolarHBondContact O-N 2.8Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 HydrophobicContact CG2-CG1 4.45Å; I135-I139 WeakPolarHBondContact O-CG1 3.15Å; I135-I139 PolarHBondContact O-N 3.49Å; I135-L151 WeakPolarHBondContact CD1-O 3.45Å; I135-L151 HydrophobicContact CG1-CD2 4.38Å; I135-L151 HydrophobicContact CG2-CB 3.88Å; I135-L151 HydrophobicContact CG2-CD1 4.4Å; I135-R154 HydrophobicContact CD1-CB 4.18Å; I135-R154 HydrophobicContact CD1-CG 4.24Å; I135-R155 HydrophobicContact CD1-CB 3.77Å; I135-R155 HydrophobicContact CD1-CG 4.44Å
136	D	97.8	Very high	95.7	Very high	85 Å²	85	44.4 Å²	44.4	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-59.6	-44.3	177.2	-66	-16.4	0	0	0	111	L132 Q133 I139 K140 R155	L132-D136 VanDerWaalsContact O-CG 3.27Å; L132-D136 PolarHBondContact O-N 3.32Å; Q133-D136 PolarHBondContact O-N 3.04Å; D136-I139 PolarHBondContact O-N 3.15Å; D136-K140 WeakPolarHBondContact O-CB 3.4Å; D136-K140 PolarHBondContact O-N 2.98Å; D136-R155 IonicContact OD1-CZ 2.69Å; D136-R155 IonicContact OD1-NE 2.64Å; D136-R155 IonicContact OD1-NH2 3.23Å; D136-R155 PolarHBondContact OD1-NH2 3.39Å
137	L	98	Very high	95.8	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-41.7	175.2	-68.8	165.9	0	0	0	111.9	Y115 Q133 D134 I135 I139 K140 Y141 I324	Y115-L137 HydrophobicContact CD1-CB 4.13Å; Y115-L137 HydrophobicContact CD1-CD1 4.14Å; Y115-L137 HydrophobicContact CD2-CB 3.73Å; Y115-L137 HydrophobicContact CE1-CB 4.25Å; Y115-L137 HydrophobicContact CE1-CD1 3.69Å; Y115-L137 HydrophobicContact CE2-CB 3.86Å; Y115-L137 HydrophobicContact CE2-CD1 4.47Å; Y115-L137 HydrophobicContact CG-CB 3.89Å; Q133-L137 HydrophobicContact CG-CD1 4.14Å; Q133-L137 WeakPolarHBondContact O-CG 3.44Å; Q133-L137 PolarHBondContact O-N 3.2Å; D134-L137 PolarHBondContact O-N 3.06Å; I135-L137 VanDerWaalsContact C-N 3.31Å; I135-L137 PolarHBondContact O-N 3.32Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.82Å; L137-K140 PolarHBondContact O-N 2.85Å; L137-Y141 HydrophobicContact CD2-CE2 4.24Å; L137-Y141 WeakPolarHBondContact O-CD2 3.24Å; L137-Y141 PolarHBondContact O-N 2.82Å; L137-I324 HydrophobicContact CD1-CD1 4.02Å; L137-I324 HydrophobicContact CD1-CG1 3.98Å
138	A	98.4	Very high	95.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-46.6	176.7	0	0	0	0	0	111.4	D134 I135 Y141 N142 F143 L151	D134-A138 WeakPolarHBondContact O-CB 3.29Å; D134-A138 PolarHBondContact O-N 2.72Å; I135-A138 PolarHBondContact O-N 2.8Å; A138-Y141 PolarHBondContact O-N 2.9Å; A138-N142 PolarHBondContact O-N 3.36Å; A138-F143 HydrophobicContact CB-CB 4.34Å; A138-F143 HydrophobicContact CB-CD2 4.03Å; A138-F143 HydrophobicContact CB-CG 4.44Å; A138-F143 WeakPolarHBondContact O-CB 3.33Å; A138-F143 PolarHBondContact O-N 3.02Å; A138-L151 HydrophobicContact CB-CD1 3.87Å
139	I	96.9	Very high	95.9	Very high	42 Å²	42	47 Å²	47	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-45	178	-66.4	177.9	0	0	0	110.7	I135 D136 L137 Y141 N142 L151 F152	I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 HydrophobicContact CG2-CG1 4.45Å; I135-I139 WeakPolarHBondContact O-CG1 3.15Å; I135-I139 PolarHBondContact O-N 3.49Å; D136-I139 PolarHBondContact O-N 3.15Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.82Å; I139-Y141 VanDerWaalsContact C-N 3.26Å; I139-Y141 PolarHBondContact O-N 2.98Å; I139-N142 PolarHBondContact O-N 2.82Å; I139-L151 HydrophobicContact CG1-CD1 4.3Å; I139-F152 HydrophobicContact CD1-CE1 3.92Å; I139-F152 HydrophobicContact CD1-CZ 4.28Å
140	K	96.9	Very high	95.9	Very high	113 Å²	113	49.1 Å²	49.1	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-54.7	-40.9	176.9	-179.6	-179.7	-178.5	178.7	0	112.4	D136 L137 N142 E337	D136-K140 WeakPolarHBondContact O-CB 3.4Å; D136-K140 PolarHBondContact O-N 2.98Å; L137-K140 PolarHBondContact O-N 2.85Å; K140-N142 PolarHBondContact O-N 2.9Å; K140-E337 IonicContact NZ-OE1 2.82Å; K140-E337 PolarHBondContact NZ-OE1 2.67Å; K140-E337 IonicContact NZ-OE2 3.86Å; K140-E337 PolarHBondContact NZ-OE2 3.48Å
141	Y	97.3	Very high	96	Very high	48 Å²	48	49 Å²	49	19%	0.188	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	20.9	178.5	-70	-65.8	0	0	0	113.8	P108 K111 A112 Y115 L137 A138 I139	P108-Y141 HydrophobicContact CB-CD1 4.13Å; P108-Y141 WeakPolarHBondContact O-CB 3.49Å; K111-Y141 HydrophobicContact CB-CD1 4.49Å; K111-Y141 HydrophobicContact CB-CD2 4.12Å; K111-Y141 HydrophobicContact CB-CG 4.08Å; K111-Y141 HydrophobicContact CD-CD1 4.18Å; K111-Y141 HydrophobicContact CD-CE1 3.92Å; K111-Y141 HydrophobicContact CD-CE2 4.3Å; K111-Y141 HydrophobicContact CD-CG 4.47Å; A112-Y141 WeakPolarHBondContact CB-O 3.2Å; Y115-Y141 HydrophobicContact CD2-CD2 4.03Å; Y115-Y141 HydrophobicContact CD2-CE2 4.47Å; Y115-Y141 AromaticContact CE2-CD2 3.72Å; Y115-Y141 HydrophobicContact CE2-CD2 3.72Å; Y115-Y141 AromaticContact CE2-CE2 3.73Å; Y115-Y141 HydrophobicContact CE2-CE2 3.73Å; L137-Y141 HydrophobicContact CD2-CE2 4.24Å; L137-Y141 WeakPolarHBondContact O-CD2 3.24Å; L137-Y141 PolarHBondContact O-N 2.82Å; A138-Y141 PolarHBondContact O-N 2.9Å; I139-Y141 VanDerWaalsContact C-N 3.26Å; I139-Y141 PolarHBondContact O-N 2.98Å
142	N	95.4	Very high	95.9	Very high	115 Å²	115	50 Å²	50	62%	0.615	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	50.1	176.4	-61.9	-45.6	0	0	0	114.6	A138 I139 K140	A138-N142 PolarHBondContact O-N 3.36Å; I139-N142 PolarHBondContact O-N 2.82Å; K140-N142 PolarHBondContact O-N 2.9Å
143	F	96.6	Very high	95.7	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.044	23%	0.229	C	C	.	.			trans	-48.7	138	170.1	-159.6	-100.2	0	0	0	111.5	A112 L113 A138 K145 R147 R148 L151	A112-F143 HydrophobicContact CB-CB 4.32Å; A112-F143 HydrophobicContact CB-CD2 4.1Å; A112-F143 WeakPolarHBondContact O-CD2 3.31Å; A112-F143 WeakPolarHBondContact O-CE2 3.38Å; L113-F143 HydrophobicContact CD2-CE2 4.13Å; A138-F143 HydrophobicContact CB-CB 4.34Å; A138-F143 HydrophobicContact CB-CD2 4.03Å; A138-F143 HydrophobicContact CB-CG 4.44Å; A138-F143 WeakPolarHBondContact O-CB 3.33Å; A138-F143 PolarHBondContact O-N 3.02Å; F143-K145 PolarHBondContact O-N 3.36Å; F143-R147 HydrophobicContact CD1-CB 4.28Å; F143-R147 HydrophobicContact CE1-CB 3.63Å; F143-R148 HydrophobicContact CB-CG 4.41Å; F143-R148 HydrophobicContact CD1-CG 4.28Å; F143-R148 PolarHBondContact O-NE 3.4Å; F143-R148 PolarHBondContact O-NH2 3.26Å; F143-L151 HydrophobicContact CB-CD1 4Å; F143-L151 HydrophobicContact CD1-CD1 3.54Å; F143-L151 HydrophobicContact CD1-CG 4.08Å; F143-L151 HydrophobicContact CD2-CD1 4.12Å; F143-L151 HydrophobicContact CE1-CD1 3.95Å; F143-L151 HydrophobicContact CE1-CD2 4.4Å; F143-L151 HydrophobicContact CE1-CG 4.04Å; F143-L151 HydrophobicContact CE2-CD1 4.49Å; F143-L151 HydrophobicContact CG-CD1 3.62Å; F143-L151 HydrophobicContact CZ-CD1 4.41Å; F143-L151 HydrophobicContact CZ-CD2 4.43Å
144	P	95.6	Very high	95.7	Very high	38 Å²	38	48.6 Å²	48.6	25%	0.247	22%	0.223	C	C	.	.			trans	-53.7	127.3	-174.7	-33.9	42	0	0	0	113.3	L113 D146 R147 R148	L113-P144 HydrophobicContact CD2-CG 4.25Å; P144-D146 VanDerWaalsContact C-N 3.33Å; P144-D146 VanDerWaalsContact CB-OD1 3.28Å; P144-D146 WeakPolarHBondContact CB-OD1 3.32Å; P144-D146 PolarHBondContact O-N 2.94Å; P144-R147 PolarHBondContact O-N 3.41Å; P144-R148 PolarHBondContact O-N 2.99Å; P144-R148 VanDerWaalsContact O-N 3.11Å
145	K	92.5	Very high	95.6	Very high	106 Å²	106	49.8 Å²	49.8	46%	0.461	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-56.1	-44.5	-169.8	-70.6	-175.1	163.1	-148.6	0	112.9	F143 R147 R148 E182	F143-K145 PolarHBondContact O-N 3.36Å; K145-R147 PolarHBondContact O-N 2.84Å; K145-R147 VanDerWaalsContact O-N 3.15Å; K145-R148 PolarHBondContact O-N 2.58Å; K145-E182 WeakPolarHBondContact CE-OE1 3.46Å; K145-E182 VanDerWaalsContact NZ-CD 3.31Å; K145-E182 IonicContact NZ-OE1 2.89Å; K145-E182 PolarHBondContact NZ-OE1 3Å; K145-E182 IonicContact NZ-OE2 2.85Å; K145-E182 PolarHBondContact NZ-OE2 3.45Å
146	D	91.2	Very high	95.5	Very high	106 Å²	106	49.8 Å²	49.8	57%	0.567	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-58.7	-25.4	177.5	66.1	-50.2	0	0	0	113.2	P144	P144-D146 VanDerWaalsContact C-N 3.33Å; P144-D146 VanDerWaalsContact CB-OD1 3.28Å; P144-D146 WeakPolarHBondContact CB-OD1 3.32Å; P144-D146 PolarHBondContact O-N 2.94Å
147	R	92.3	Very high	95.4	Very high	92 Å²	92	49.8 Å²	49.8	35%	0.347	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-104.4	-9.2	-179.7	-66.1	-175.5	-79	169.1	-11.2	114.3	F143 P144 K145 R150	F143-R147 HydrophobicContact CD1-CB 4.28Å; F143-R147 HydrophobicContact CE1-CB 3.63Å; P144-R147 PolarHBondContact O-N 3.41Å; K145-R147 PolarHBondContact O-N 2.84Å; K145-R147 VanDerWaalsContact O-N 3.15Å; R147-R150 WeakPolarHBondContact O-CB 3.36Å; R147-R150 PolarHBondContact O-N 3.1Å; R147-R150 VanDerWaalsContact O-N 3.14Å
148	R	93.9	Very high	95.2	Very high	35 Å²	35	49.3 Å²	49.3	13%	0.132	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-35.5	177.4	-74.5	-177.3	-173.4	-178.9	-2.5	114.8	F143 P144 K145 R150 L151 F152 Y178	F143-R148 HydrophobicContact CB-CG 4.41Å; F143-R148 HydrophobicContact CD1-CG 4.28Å; F143-R148 PolarHBondContact O-NE 3.4Å; F143-R148 PolarHBondContact O-NH2 3.26Å; P144-R148 PolarHBondContact O-N 2.99Å; P144-R148 VanDerWaalsContact O-N 3.11Å; K145-R148 PolarHBondContact O-N 2.58Å; R148-R150 PolarHBondContact O-N 2.75Å; R148-R150 VanDerWaalsContact O-N 3.08Å; R148-L151 WeakPolarHBondContact O-CA 3.26Å; R148-L151 WeakPolarHBondContact O-CB 3.11Å; R148-L151 PolarHBondContact O-N 3.1Å; R148-F152 HydrophobicContact CB-CE2 4.06Å; R148-F152 WeakPolarHBondContact O-CD2 3.48Å; R148-F152 PolarHBondContact O-N 3.31Å; R148-F152 VanDerWaalsContact O-N 3.13Å; R148-Y178 HydrophobicContact CB-CE1 3.85Å
149	P	93.1	Very high	95.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-52.4	-34	175.1	-30.5	37.9	0	0	0	113.8	L151 F152 I153 Y178 M179 L184	P149-L151 VanDerWaalsContact C-N 3.32Å; P149-L151 PolarHBondContact O-N 3.38Å; P149-F152 PolarHBondContact O-N 3.09Å; P149-I153 WeakPolarHBondContact O-CG1 3.27Å; P149-I153 PolarHBondContact O-N 3.47Å; P149-Y178 HydrophobicContact CG-CD1 4.45Å; P149-M179 HydrophobicContact CB-CE 4.1Å; P149-M179 HydrophobicContact CB-CG 4.11Å; P149-M179 HydrophobicContact CB-SD 3.8Å; P149-M179 HydrophobicContact CG-CE 3.91Å; P149-M179 HydrophobicContact CG-CG 3.65Å; P149-M179 HydrophobicContact CG-SD 3.92Å; P149-L184 HydrophobicContact CG-CD1 4.07Å
150	R	93.5	Very high	94.9	Very high	150 Å²	150	49.1 Å²	49.1	57%	0.566	22%	0.221	S	C	*	.	H	α-helix	trans	-67.1	-32.3	176.4	-60.2	-178.7	178.1	-162.9	-0.4	112.9	R147 R148 R154 L190	R147-R150 WeakPolarHBondContact O-CB 3.36Å; R147-R150 PolarHBondContact O-N 3.1Å; R147-R150 VanDerWaalsContact O-N 3.14Å; R148-R150 PolarHBondContact O-N 2.75Å; R148-R150 VanDerWaalsContact O-N 3.08Å; R150-R154 WeakPolarHBondContact O-CB 3.15Å; R150-R154 PolarHBondContact O-N 2.99Å; R150-L190 HydrophobicContact CG-CD1 4.11Å
151	L	96	Very high	94.4	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-72.1	-46	175.5	-63	-173.1	0	0	0	110.7	I135 A138 I139 F143 R148 P149 I153 R154 R155	I135-L151 WeakPolarHBondContact CD1-O 3.45Å; I135-L151 HydrophobicContact CG1-CD2 4.38Å; I135-L151 HydrophobicContact CG2-CB 3.88Å; I135-L151 HydrophobicContact CG2-CD1 4.4Å; A138-L151 HydrophobicContact CB-CD1 3.87Å; I139-L151 HydrophobicContact CG1-CD1 4.3Å; F143-L151 HydrophobicContact CB-CD1 4Å; F143-L151 HydrophobicContact CD1-CD1 3.54Å; F143-L151 HydrophobicContact CD1-CG 4.08Å; F143-L151 HydrophobicContact CD2-CD1 4.12Å; F143-L151 HydrophobicContact CE1-CD1 3.95Å; F143-L151 HydrophobicContact CE1-CD2 4.4Å; F143-L151 HydrophobicContact CE1-CG 4.04Å; F143-L151 HydrophobicContact CE2-CD1 4.49Å; F143-L151 HydrophobicContact CG-CD1 3.62Å; F143-L151 HydrophobicContact CZ-CD1 4.41Å; F143-L151 HydrophobicContact CZ-CD2 4.43Å; R148-L151 WeakPolarHBondContact O-CA 3.26Å; R148-L151 WeakPolarHBondContact O-CB 3.11Å; R148-L151 PolarHBondContact O-N 3.1Å; P149-L151 VanDerWaalsContact C-N 3.32Å; P149-L151 PolarHBondContact O-N 3.38Å; L151-I153 PolarHBondContact O-N 3.37Å; L151-R154 PolarHBondContact O-N 2.88Å; L151-R155 WeakPolarHBondContact O-CB 3.46Å; L151-R155 PolarHBondContact O-N 3.33Å
152	F	95.5	Very high	94	Very high	23 Å²	23	47.1 Å²	47.1	10%	0.101	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-48.1	177.1	-65.3	-57.1	0	0	0	111.8	I139 R148 P149 R154 R155 S156 C175 Y178	I139-F152 HydrophobicContact CD1-CE1 3.92Å; I139-F152 HydrophobicContact CD1-CZ 4.28Å; R148-F152 HydrophobicContact CB-CE2 4.06Å; R148-F152 WeakPolarHBondContact O-CD2 3.48Å; R148-F152 PolarHBondContact O-N 3.31Å; R148-F152 VanDerWaalsContact O-N 3.13Å; P149-F152 PolarHBondContact O-N 3.09Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.35Å; F152-R155 WeakPolarHBondContact O-CB 3.5Å; F152-R155 PolarHBondContact O-N 3.08Å; F152-R155 VanDerWaalsContact O-N 3.14Å; F152-S156 PolarHBondContact O-N 2.95Å; F152-S156 PolarHBondContact O-OG 3.39Å; F152-S156 VanDerWaalsContact O-OG 3.1Å; F152-C175 HydrophobicContact CB-CB 3.69Å; F152-C175 HydrophobicContact CD2-CB 4.35Å; F152-C175 HydrophobicContact CG-CB 4.26Å; F152-Y178 HydrophobicContact CD2-CD1 4.39Å; F152-Y178 AromaticContact CE2-CD1 3.71Å; F152-Y178 HydrophobicContact CE2-CD1 3.71Å; F152-Y178 HydrophobicContact CE2-CD2 4.23Å; F152-Y178 HydrophobicContact CE2-CE1 4.25Å; F152-Y178 AromaticContact CE2-CG 3.7Å; F152-Y178 HydrophobicContact CE2-CG 3.7Å; F152-Y178 HydrophobicContact CZ-CG 4.38Å
153	I	95.2	Very high	93.7	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-44.9	176.7	-68.6	166.2	0	0	0	111.5	P149 L151 R155 S156 Q157 L190 A193 I194	P149-I153 WeakPolarHBondContact O-CG1 3.27Å; P149-I153 PolarHBondContact O-N 3.47Å; L151-I153 PolarHBondContact O-N 3.37Å; I153-R155 VanDerWaalsContact C-N 3.34Å; I153-R155 PolarHBondContact O-N 3Å; I153-S156 PolarHBondContact O-N 3.45Å; I153-Q157 HydrophobicContact CG2-CG 4.44Å; I153-Q157 WeakPolarHBondContact O-CB 3.41Å; I153-Q157 VanDerWaalsContact O-CG 3.27Å; I153-Q157 WeakPolarHBondContact O-CG 3.25Å; I153-Q157 PolarHBondContact O-N 3.03Å; I153-L190 HydrophobicContact CD1-CB 3.78Å; I153-L190 HydrophobicContact CD1-CD1 4.3Å; I153-L190 HydrophobicContact CD1-CD2 3.79Å; I153-L190 HydrophobicContact CD1-CG 4.15Å; I153-A193 HydrophobicContact CG2-CB 4.35Å; I153-I194 HydrophobicContact CD1-CD1 4Å; I153-I194 HydrophobicContact CD1-CG1 3.84Å; I153-I194 HydrophobicContact CG1-CD1 4.18Å; I153-I194 HydrophobicContact CG1-CG1 3.73Å
154	R	95.9	Very high	93.4	Very high	37 Å²	37	49.4 Å²	49.4	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-38.5	178.2	-174.2	-176.8	-54.6	143.2	9.2	112.3	G116 S119 C120 V131 I135 R150 L151 F152 S158	G116-R154 PolarHBondContact O-NH1 3.21Å; S119-R154 WeakPolarHBondContact O-CD 3.4Å; S119-R154 PolarHBondContact OG-NH1 3.29Å; C120-R154 PolarHBondContact SG-NH1 3Å; C120-R154 PolarHBondContact SG-NH2 2.88Å; V131-R154 HydrophobicContact CG1-CG 3.9Å; I135-R154 HydrophobicContact CD1-CB 4.18Å; I135-R154 HydrophobicContact CD1-CG 4.24Å; R150-R154 WeakPolarHBondContact O-CB 3.15Å; R150-R154 PolarHBondContact O-N 2.99Å; L151-R154 PolarHBondContact O-N 2.88Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.35Å; R154-S158 WeakPolarHBondContact O-CB 3.39Å; R154-S158 PolarHBondContact O-N 3.14Å; R154-S158 PolarHBondContact O-OG 3.19Å
155	R	97.4	Very high	93.3	Very high	25 Å²	25	48.6 Å²	48.6	9%	0.094	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-50.8	174.5	-167.3	-170.3	-83.2	135.6	-11.6	109.8	L132 I135 D136 L151 F152 I153 Q157 S158 L159 E171	L132-R155 HydrophobicContact CD2-CB 4.47Å; L132-R155 HydrophobicContact CD2-CG 3.46Å; L132-R155 VanDerWaalsContact CD2-CG 3.46Å; I135-R155 HydrophobicContact CD1-CB 3.77Å; I135-R155 HydrophobicContact CD1-CG 4.44Å; D136-R155 IonicContact OD1-CZ 2.69Å; D136-R155 IonicContact OD1-NE 2.64Å; D136-R155 IonicContact OD1-NH2 3.23Å; D136-R155 PolarHBondContact OD1-NH2 3.39Å; L151-R155 WeakPolarHBondContact O-CB 3.46Å; L151-R155 PolarHBondContact O-N 3.33Å; F152-R155 WeakPolarHBondContact O-CB 3.5Å; F152-R155 PolarHBondContact O-N 3.08Å; F152-R155 VanDerWaalsContact O-N 3.14Å; I153-R155 VanDerWaalsContact C-N 3.34Å; I153-R155 PolarHBondContact O-N 3Å; R155-Q157 PolarHBondContact O-N 3.37Å; R155-S158 PolarHBondContact O-N 3.44Å; R155-S158 VanDerWaalsContact O-N 3.12Å; R155-L159 HydrophobicContact CG-CD1 4.2Å; R155-L159 WeakPolarHBondContact O-CG 3.18Å; R155-L159 PolarHBondContact O-N 3.19Å; R155-E171 VanDerWaalsContact CD-OE2 3.26Å; R155-E171 WeakPolarHBondContact CD-OE2 3.45Å; R155-E171 IonicContact CZ-OE2 2.96Å; R155-E171 IonicContact NE-OE2 2.82Å; R155-E171 IonicContact NH1-OE2 3.89Å; R155-E171 PolarHBondContact NH1-OE2 2.94Å
156	S	96.8	Very high	93.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-45.3	177.5	-56.3	0	0	0	0	112.4	F152 I153 S158 L159 I160 A168 E171 F172	F152-S156 PolarHBondContact O-N 2.95Å; F152-S156 PolarHBondContact O-OG 3.39Å; F152-S156 VanDerWaalsContact O-OG 3.1Å; I153-S156 PolarHBondContact O-N 3.45Å; S156-S158 VanDerWaalsContact C-N 3.31Å; S156-S158 PolarHBondContact O-N 3.04Å; S156-L159 WeakPolarHBondContact O-CB 3.4Å; S156-L159 PolarHBondContact O-N 3.12Å; S156-I160 WeakPolarHBondContact O-CG1 3.41Å; S156-I160 PolarHBondContact O-N 3.26Å; S156-A168 WeakPolarHBondContact O-CB 3.46Å; S156-A168 PolarHBondContact OG-O 3.1Å; S156-E171 WeakPolarHBondContact OG-CB 3.43Å; S156-F172 VanDerWaalsContact CB-CE1 3.48Å; S156-F172 VanDerWaalsContact CB-CE2 3.43Å; S156-F172 PolarHBondContact OG-N 3.42Å
157	Q	94.8	Very high	93.4	Very high	84 Å²	84	50 Å²	50	39%	0.393	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-40.5	175.8	-73.2	170.3	-14.5	0	0	112	I153 R155 I160 S161	I153-Q157 HydrophobicContact CG2-CG 4.44Å; I153-Q157 WeakPolarHBondContact O-CB 3.41Å; I153-Q157 VanDerWaalsContact O-CG 3.27Å; I153-Q157 WeakPolarHBondContact O-CG 3.25Å; I153-Q157 PolarHBondContact O-N 3.03Å; R155-Q157 PolarHBondContact O-N 3.37Å; Q157-I160 WeakPolarHBondContact O-CB 3.3Å; Q157-I160 PolarHBondContact O-N 2.97Å; Q157-S161 PolarHBondContact O-N 2.86Å; Q157-S161 PolarHBondContact O-OG 2.8Å
158	S	94.7	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-36.3	176.6	-63	0	0	0	0	112.2	H128 V131 R154 R155 S156 S161 L162	H128-S158 WeakPolarHBondContact ND1-CA 3.44Å; H128-S158 WeakPolarHBondContact ND1-CB 3.48Å; H128-S158 PolarHBondContact ND1-OG 3.2Å; V131-S158 WeakPolarHBondContact CG1-OG 3.47Å; R154-S158 WeakPolarHBondContact O-CB 3.39Å; R154-S158 PolarHBondContact O-N 3.14Å; R154-S158 PolarHBondContact O-OG 3.19Å; R155-S158 PolarHBondContact O-N 3.44Å; R155-S158 VanDerWaalsContact O-N 3.12Å; S156-S158 VanDerWaalsContact C-N 3.31Å; S156-S158 PolarHBondContact O-N 3.04Å; S158-S161 PolarHBondContact O-N 3.15Å; S158-L162 VanDerWaalsContact O-CG 3.28Å; S158-L162 WeakPolarHBondContact O-CG 3.45Å; S158-L162 PolarHBondContact O-N 2.69Å
159	L	95.1	Very high	93.6	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-39.8	172.6	-71.6	166.4	0	0	0	111.8	L132 R155 S156 S161 L162 K163 R164 E167 A168 E171	L132-L159 HydrophobicContact CD1-CD2 3.83Å; L132-L159 HydrophobicContact CD2-CD2 4.2Å; L132-L159 HydrophobicContact CD2-CG 4.03Å; R155-L159 HydrophobicContact CG-CD1 4.2Å; R155-L159 WeakPolarHBondContact O-CG 3.18Å; R155-L159 PolarHBondContact O-N 3.19Å; S156-L159 WeakPolarHBondContact O-CB 3.4Å; S156-L159 PolarHBondContact O-N 3.12Å; L159-S161 VanDerWaalsContact C-N 3.35Å; L159-L162 CarbonylContact O-C 3.6Å; L159-L162 PolarHBondContact O-N 3.21Å; L159-K163 PolarHBondContact O-N 2.87Å; L159-K163 VanDerWaalsContact O-N 3.07Å; L159-R164 HydrophobicContact CB-CB 4.31Å; L159-R164 HydrophobicContact CD2-CB 3.93Å; L159-R164 PolarHBondContact O-N 2.71Å; L159-E167 HydrophobicContact CD1-CB 4.06Å; L159-E167 HydrophobicContact CD2-CB 4.21Å; L159-A168 HydrophobicContact CB-CB 3.7Å; L159-E171 HydrophobicContact CD1-CB 4.39Å; L159-E171 HydrophobicContact CD1-CG 3.78Å
160	I	92.1	Very high	93.6	Very high	34 Å²	34	50.9 Å²	50.9	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-47.7	170.8	-71.1	172.7	0	0	0	110.3	S156 Q157 L162 K163 F165 A168 F172	S156-I160 WeakPolarHBondContact O-CG1 3.41Å; S156-I160 PolarHBondContact O-N 3.26Å; Q157-I160 WeakPolarHBondContact O-CB 3.3Å; Q157-I160 PolarHBondContact O-N 2.97Å; I160-L162 PolarHBondContact O-N 3.04Å; I160-K163 WeakPolarHBondContact O-CA 3.44Å; I160-K163 PolarHBondContact O-N 3.28Å; I160-F165 HydrophobicContact CG1-CD1 4.45Å; I160-F165 HydrophobicContact CG2-CE1 4.11Å; I160-A168 HydrophobicContact CG1-CB 3.77Å; I160-F172 HydrophobicContact CD1-CE2 3.9Å; I160-F172 HydrophobicContact CD1-CZ 4.32Å
161	S	88.1	Confident	93.7	Very high	68 Å²	68	45.3 Å²	45.3	48%	0.476	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-29.8	177.9	-61.9	0	0	0	0	113.1	H128 Q157 S158 L159 K163	H128-S161 WeakPolarHBondContact CD2-CB 3.36Å; H128-S161 PolarHBondContact CE1-OG 3.33Å; H128-S161 WeakPolarHBondContact NE2-CB 3.31Å; H128-S161 PolarHBondContact NE2-OG 3.35Å; Q157-S161 PolarHBondContact O-N 2.86Å; Q157-S161 PolarHBondContact O-OG 2.8Å; S158-S161 PolarHBondContact O-N 3.15Å; L159-S161 VanDerWaalsContact C-N 3.35Å; S161-K163 VanDerWaalsContact C-N 3.25Å
162	L	88.9	Confident	93.6	Very high	51 Å²	51	45.3 Å²	45.3	27%	0.267	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.7	171.8	-66.6	167.8	0	0	0	113.2	H128 E129 L132 S158 L159 I160 R164	H128-L162 HydrophobicContact CB-CD1 3.84Å; H128-L162 HydrophobicContact CB-CD2 3.94Å; H128-L162 HydrophobicContact CB-CG 3.66Å; E129-L162 HydrophobicContact CG-CD1 4.27Å; E129-L162 HydrophobicContact CG-CD2 4.06Å; E129-L162 WeakPolarHBondContact OE1-CD1 3.44Å; L132-L162 HydrophobicContact CD1-CD1 3.79Å; L132-L162 HydrophobicContact CG-CD1 4.41Å; S158-L162 VanDerWaalsContact O-CG 3.28Å; S158-L162 WeakPolarHBondContact O-CG 3.45Å; S158-L162 PolarHBondContact O-N 2.69Å; L159-L162 CarbonylContact O-C 3.6Å; L159-L162 PolarHBondContact O-N 3.21Å; I160-L162 PolarHBondContact O-N 3.04Å; L162-R164 HydrophobicContact CB-CG 4.26Å; L162-R164 PolarHBondContact O-N 2.77Å
163	K	87.8	Confident	93.5	Very high	93 Å²	93	47.9 Å²	47.9	40%	0.404	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	24.7	-175.9	-53.2	-175.4	174.7	-163.3	0	114.4	L159 I160 S161 F165 L209	L159-K163 PolarHBondContact O-N 2.87Å; L159-K163 VanDerWaalsContact O-N 3.07Å; I160-K163 WeakPolarHBondContact O-CA 3.44Å; I160-K163 PolarHBondContact O-N 3.28Å; S161-K163 VanDerWaalsContact C-N 3.25Å; K163-F165 VanDerWaalsContact C-N 3.28Å; K163-F165 HydrophobicContact CB-CE2 3.9Å; K163-F165 HydrophobicContact CB-CZ 4.13Å; K163-F165 HydrophobicContact CG-CE2 4.46Å; K163-F165 HydrophobicContact CG-CZ 4.3Å; K163-F165 WeakPolarHBondContact O-CD2 3.48Å; K163-F165 PolarHBondContact O-N 3.4Å; K163-L209 PolarHBondContact NZ-O 3.44Å
164	R	91.7	Very high	93.4	Very high	80 Å²	80	51 Å²	51	30%	0.302	25%	0.246	S	C	.	.			trans	-91.4	59.1	175.6	-68.9	165.2	66.3	-178.6	-3	109.4	E129 L159 L162 K166 E167 A168	E129-R164 IonicContact OE1-NH1 3.52Å; E129-R164 IonicContact OE2-NH1 2.94Å; L159-R164 HydrophobicContact CB-CB 4.31Å; L159-R164 HydrophobicContact CD2-CB 3.93Å; L159-R164 PolarHBondContact O-N 2.71Å; L162-R164 HydrophobicContact CB-CG 4.26Å; L162-R164 PolarHBondContact O-N 2.77Å; R164-K166 PolarHBondContact O-N 2.95Å; R164-E167 HydrophobicContact CB-CB 4.35Å; R164-E167 WeakPolarHBondContact CB-OE1 2.87Å; R164-E167 IonicContact CZ-OE1 2.65Å; R164-E167 IonicContact CZ-OE2 3.68Å; R164-E167 IonicContact NE-OE1 2.64Å; R164-E167 PolarHBondContact NE-OE1 2.8Å; R164-E167 IonicContact NE-OE2 3.11Å; R164-E167 IonicContact NH2-OE1 3.72Å; R164-E167 PolarHBondContact NH2-OE1 3.37Å; R164-E167 IonicContact NH2-OE2 2.75Å; R164-E167 PolarHBondContact NH2-OE2 3.16Å; R164-E167 PolarHBondContact O-N 3.49Å; R164-A168 PolarHBondContact O-N 3.1Å
165	F	91.8	Very high	93.2	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.088	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-38.1	-168.5	-57.7	-70.5	0	0	0	113.8	I160 K163 E167 A168 L169 M204	I160-F165 HydrophobicContact CG1-CD1 4.45Å; I160-F165 HydrophobicContact CG2-CE1 4.11Å; K163-F165 VanDerWaalsContact C-N 3.28Å; K163-F165 HydrophobicContact CB-CE2 3.9Å; K163-F165 HydrophobicContact CB-CZ 4.13Å; K163-F165 HydrophobicContact CG-CE2 4.46Å; K163-F165 HydrophobicContact CG-CZ 4.3Å; K163-F165 WeakPolarHBondContact O-CD2 3.48Å; K163-F165 PolarHBondContact O-N 3.4Å; F165-E167 VanDerWaalsContact C-N 3.34Å; F165-E167 PolarHBondContact O-N 3.25Å; F165-A168 PolarHBondContact O-N 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 PolarHBondContact O-N 3.29Å; F165-M204 HydrophobicContact CD1-CB 4.38Å; F165-M204 HydrophobicContact CE1-CB 4.05Å; F165-M204 HydrophobicContact CE1-CG 4.39Å; F165-M204 HydrophobicContact CE1-SD 3.63Å; F165-M204 HydrophobicContact CE2-CB 4.24Å; F165-M204 HydrophobicContact CZ-CB 3.97Å; F165-M204 HydrophobicContact CZ-CG 4.49Å; F165-M204 HydrophobicContact CZ-SD 3.75Å
166	K	92.2	Very high	92.9	Very high	159 Å²	159	49.7 Å²	49.7	69%	0.691	24%	0.243	S	C	*	.	H	α-helix	trans	-61.5	-44.6	176.8	-66.4	-178.3	-176.4	174.4	0	111.5	R164 L169 I170	R164-K166 PolarHBondContact O-N 2.95Å; K166-L169 PolarHBondContact O-N 3.39Å; K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 2.97Å; K166-I170 VanDerWaalsContact O-N 3.14Å
167	E	94.5	Very high	92.7	Very high	83 Å²	83	54.7 Å²	54.7	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-68.1	-39.4	177.4	-62.1	178	-98.7	0	0	111.1	L159 R164 F165 L169 I170 E171	L159-E167 HydrophobicContact CD1-CB 4.06Å; L159-E167 HydrophobicContact CD2-CB 4.21Å; R164-E167 HydrophobicContact CB-CB 4.35Å; R164-E167 WeakPolarHBondContact CB-OE1 2.87Å; R164-E167 IonicContact CZ-OE1 2.65Å; R164-E167 IonicContact CZ-OE2 3.68Å; R164-E167 IonicContact NE-OE1 2.64Å; R164-E167 PolarHBondContact NE-OE1 2.8Å; R164-E167 IonicContact NE-OE2 3.11Å; R164-E167 IonicContact NH2-OE1 3.72Å; R164-E167 PolarHBondContact NH2-OE1 3.37Å; R164-E167 IonicContact NH2-OE2 2.75Å; R164-E167 PolarHBondContact NH2-OE2 3.16Å; R164-E167 PolarHBondContact O-N 3.49Å; F165-E167 VanDerWaalsContact C-N 3.34Å; F165-E167 PolarHBondContact O-N 3.25Å; E167-L169 PolarHBondContact O-N 2.81Å; E167-I170 PolarHBondContact O-N 3.37Å; E167-E171 WeakPolarHBondContact O-CG 3.35Å; E167-E171 PolarHBondContact O-N 2.72Å
168	A	95.3	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-43.2	175.5	0	0	0	0	0	112.6	S156 L159 I160 R164 F165 E171 F172	S156-A168 WeakPolarHBondContact O-CB 3.46Å; S156-A168 PolarHBondContact OG-O 3.1Å; L159-A168 HydrophobicContact CB-CB 3.7Å; I160-A168 HydrophobicContact CG1-CB 3.77Å; R164-A168 PolarHBondContact O-N 3.1Å; F165-A168 PolarHBondContact O-N 3.3Å; A168-E171 PolarHBondContact O-N 2.84Å; A168-F172 WeakPolarHBondContact O-CD2 3.39Å; A168-F172 PolarHBondContact O-N 3.32Å
169	L	94.5	Very high	92.3	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.277	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-44.5	176.8	-179.6	61.6	0	0	0	111.6	F165 K166 E167 E171 F172 N173 I198 C201	F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 PolarHBondContact O-N 3.29Å; K166-L169 PolarHBondContact O-N 3.39Å; E167-L169 PolarHBondContact O-N 2.81Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 3.44Å; L169-F172 PolarHBondContact O-N 3.23Å; L169-N173 PolarHBondContact O-N 2.96Å; L169-N173 VanDerWaalsContact O-N 3.1Å; L169-N173 PolarHBondContact O-ND2 3.32Å; L169-I198 HydrophobicContact CD1-CB 4.3Å; L169-I198 HydrophobicContact CD1-CG1 4.13Å; L169-I198 HydrophobicContact CD1-CG2 3.88Å; L169-C201 HydrophobicContact CB-CB 4.09Å; L169-C201 HydrophobicContact CD1-CB 4.49Å
170	I	94.1	Very high	92.1	Very high	95 Å²	95	58.2 Å²	58.2	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-46.9	174.5	-68.9	166.1	0	0	0	110.1	K166 E167 F172 N173 N174	K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 2.97Å; K166-I170 VanDerWaalsContact O-N 3.14Å; E167-I170 PolarHBondContact O-N 3.37Å; I170-F172 PolarHBondContact O-N 3.17Å; I170-N173 PolarHBondContact O-N 3.19Å; I170-N174 WeakPolarHBondContact O-CB 3.04Å; I170-N174 PolarHBondContact O-N 3.21Å; I170-N174 PolarHBondContact O-ND2 3.22Å
171	E	94.5	Very high	92.1	Very high	34 Å²	34	60.7 Å²	60.7	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-34.9	179.7	-74.9	-61.2	114.5	0	0	113.5	R155 S156 L159 E167 A168 L169 N174 C175	R155-E171 VanDerWaalsContact CD-OE2 3.26Å; R155-E171 WeakPolarHBondContact CD-OE2 3.45Å; R155-E171 IonicContact CZ-OE2 2.96Å; R155-E171 IonicContact NE-OE2 2.82Å; R155-E171 IonicContact NH1-OE2 3.89Å; R155-E171 PolarHBondContact NH1-OE2 2.94Å; S156-E171 WeakPolarHBondContact OG-CB 3.43Å; L159-E171 HydrophobicContact CD1-CB 4.39Å; L159-E171 HydrophobicContact CD1-CG 3.78Å; E167-E171 WeakPolarHBondContact O-CG 3.35Å; E167-E171 PolarHBondContact O-N 2.72Å; A168-E171 PolarHBondContact O-N 2.84Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 3.44Å; E171-N174 PolarHBondContact O-N 3.28Å; E171-N174 PolarHBondContact OE1-ND2 3.16Å; E171-C175 WeakPolarHBondContact O-CB 3.41Å; E171-C175 PolarHBondContact O-N 3.31Å
172	F	95.3	Very high	92.2	Very high	1 Å²	1	60.4 Å²	60.4	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-43	173.4	-80.1	-56.3	0	0	0	112.2	S156 I160 A168 L169 I170 C175 M176 I194 I198	S156-F172 VanDerWaalsContact CB-CE1 3.48Å; S156-F172 VanDerWaalsContact CB-CE2 3.43Å; S156-F172 PolarHBondContact OG-N 3.42Å; I160-F172 HydrophobicContact CD1-CE2 3.9Å; I160-F172 HydrophobicContact CD1-CZ 4.32Å; A168-F172 WeakPolarHBondContact O-CD2 3.39Å; A168-F172 PolarHBondContact O-N 3.32Å; L169-F172 PolarHBondContact O-N 3.23Å; I170-F172 PolarHBondContact O-N 3.17Å; F172-C175 WeakPolarHBondContact O-CB 3.25Å; F172-C175 PolarHBondContact O-N 2.87Å; F172-M176 PolarHBondContact O-N 3.25Å; F172-M176 VanDerWaalsContact O-N 3.13Å; F172-I194 HydrophobicContact CB-CG2 4.28Å; F172-I194 HydrophobicContact CD1-CB 4.2Å; F172-I194 HydrophobicContact CD1-CG1 4.08Å; F172-I194 HydrophobicContact CD1-CG2 3.99Å; F172-I194 HydrophobicContact CE1-CG1 4.44Å; F172-I194 HydrophobicContact CG-CG2 4.45Å; F172-I198 HydrophobicContact CB-CD1 4.16Å; F172-I198 HydrophobicContact CB-CG1 3.69Å; F172-I198 HydrophobicContact CD2-CG1 4.24Å; F172-I198 HydrophobicContact CG-CG1 4.08Å
173	N	93.1	Very high	92.4	Very high	76 Å²	76	65.1 Å²	65.1	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-43.2	176.5	-69.3	-32	0	0	0	111.1	L169 I170 C175 M176 E177	L169-N173 PolarHBondContact O-N 2.96Å; L169-N173 VanDerWaalsContact O-N 3.1Å; L169-N173 PolarHBondContact O-ND2 3.32Å; I170-N173 PolarHBondContact O-N 3.19Å; N173-C175 VanDerWaalsContact C-N 3.25Å; N173-C175 PolarHBondContact O-N 3.02Å; N173-M176 PolarHBondContact O-N 3.25Å; N173-M176 VanDerWaalsContact O-N 3.1Å; N173-E177 PolarHBondContact O-N 3.08Å
174	N	91.9	Very high	92.4	Very high	74 Å²	74	62.9 Å²	62.9	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-57.6	-38.8	173.4	-71.3	-15.3	0	0	0	111.6	I170 E171 Y178	I170-N174 WeakPolarHBondContact O-CB 3.04Å; I170-N174 PolarHBondContact O-N 3.21Å; I170-N174 PolarHBondContact O-ND2 3.22Å; E171-N174 PolarHBondContact O-N 3.28Å; E171-N174 PolarHBondContact OE1-ND2 3.16Å; N174-Y178 WeakPolarHBondContact O-CB 3.45Å; N174-Y178 PolarHBondContact O-N 2.95Å
175	C	93.5	Very high	92.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-46.6	174.5	-172.2	0	0	0	0	111.8	F152 E171 F172 N173 Y178 M179	F152-C175 HydrophobicContact CB-CB 3.69Å; F152-C175 HydrophobicContact CD2-CB 4.35Å; F152-C175 HydrophobicContact CG-CB 4.26Å; E171-C175 WeakPolarHBondContact O-CB 3.41Å; E171-C175 PolarHBondContact O-N 3.31Å; F172-C175 WeakPolarHBondContact O-CB 3.25Å; F172-C175 PolarHBondContact O-N 2.87Å; N173-C175 VanDerWaalsContact C-N 3.25Å; N173-C175 PolarHBondContact O-N 3.02Å; C175-Y178 PolarHBondContact O-N 3.16Å; C175-M179 VanDerWaalsContact O-CG 3.28Å; C175-M179 WeakPolarHBondContact O-CG 3.26Å; C175-M179 PolarHBondContact O-N 3.33Å
176	M	90.9	Very high	91.2	Very high	34 Å²	34	66.7 Å²	66.7	17%	0.167	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-45.1	179.5	-69.2	-64.4	-69.8	0	0	111.8	F172 N173 M179 K180 I186 I194	F172-M176 PolarHBondContact O-N 3.25Å; F172-M176 VanDerWaalsContact O-N 3.13Å; N173-M176 PolarHBondContact O-N 3.25Å; N173-M176 VanDerWaalsContact O-N 3.1Å; M176-M179 PolarHBondContact O-N 3.14Å; M176-K180 WeakPolarHBondContact O-CG 2.74Å; M176-K180 PolarHBondContact O-N 3.35Å; M176-K180 VanDerWaalsContact O-N 3.09Å; M176-I186 HydrophobicContact CE-CD1 3.97Å; M176-I186 HydrophobicContact SD-CD1 4.02Å; M176-I194 HydrophobicContact CG-CG2 3.93Å; M176-I194 HydrophobicContact SD-CD1 3.78Å; M176-I194 HydrophobicContact SD-CG2 3.96Å
177	E	91.6	Very high	90.7	Very high	105 Å²	105	61.9 Å²	61.9	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-41.2	176.5	-69.6	-56	124.4	0	0	111.7	N173 M179 K180 S181	N173-E177 PolarHBondContact O-N 3.08Å; E177-M179 VanDerWaalsContact C-N 3.35Å; E177-M179 PolarHBondContact O-N 3.17Å; E177-K180 PolarHBondContact O-N 3.47Å; E177-K180 IonicContact OE1-NZ 2.76Å; E177-K180 PolarHBondContact OE1-NZ 3.22Å; E177-S181 WeakPolarHBondContact O-CB 3.27Å; E177-S181 PolarHBondContact O-N 2.9Å; E177-S181 PolarHBondContact O-OG 3.32Å
178	Y	92.6	Very high	90.3	Very high	32 Å²	32	63.8 Å²	63.8	13%	0.125	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-48	175	-176.4	-99.8	0	0	0	111.5	R148 P149 F152 N174 C175 K180 S181 E182 L184	R148-Y178 HydrophobicContact CB-CE1 3.85Å; P149-Y178 HydrophobicContact CG-CD1 4.45Å; F152-Y178 HydrophobicContact CD2-CD1 4.39Å; F152-Y178 AromaticContact CE2-CD1 3.71Å; F152-Y178 HydrophobicContact CE2-CD1 3.71Å; F152-Y178 HydrophobicContact CE2-CD2 4.23Å; F152-Y178 HydrophobicContact CE2-CE1 4.25Å; F152-Y178 AromaticContact CE2-CG 3.7Å; F152-Y178 HydrophobicContact CE2-CG 3.7Å; F152-Y178 HydrophobicContact CZ-CG 4.38Å; N174-Y178 WeakPolarHBondContact O-CB 3.45Å; N174-Y178 PolarHBondContact O-N 2.95Å; C175-Y178 PolarHBondContact O-N 3.16Å; Y178-K180 PolarHBondContact O-N 2.79Å; Y178-S181 PolarHBondContact O-N 3.24Å; Y178-S181 PolarHBondContact O-OG 3.38Å; Y178-E182 HydrophobicContact CD1-CG 4.5Å; Y178-E182 HydrophobicContact CD2-CG 4.26Å; Y178-E182 HydrophobicContact CE1-CG 4.03Å; Y178-E182 HydrophobicContact CE2-CG 3.73Å; Y178-E182 PolarHBondContact O-N 3.13Å; Y178-E182 PolarHBondContact OH-OE1 3.17Å; Y178-L184 HydrophobicContact CE1-CD1 4.22Å
179	M	89.4	Confident	90	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.03	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-39.7	-179.8	-68.2	-172.1	84	0	0	112.9	P149 C175 M176 E177 N183 L184 I186	P149-M179 HydrophobicContact CB-CE 4.1Å; P149-M179 HydrophobicContact CB-CG 4.11Å; P149-M179 HydrophobicContact CB-SD 3.8Å; P149-M179 HydrophobicContact CG-CE 3.91Å; P149-M179 HydrophobicContact CG-CG 3.65Å; P149-M179 HydrophobicContact CG-SD 3.92Å; C175-M179 VanDerWaalsContact O-CG 3.28Å; C175-M179 WeakPolarHBondContact O-CG 3.26Å; C175-M179 PolarHBondContact O-N 3.33Å; M176-M179 PolarHBondContact O-N 3.14Å; E177-M179 VanDerWaalsContact C-N 3.35Å; E177-M179 PolarHBondContact O-N 3.17Å; M179-N183 PolarHBondContact O-N 3.3Å; M179-L184 HydrophobicContact CE-CB 4.19Å; M179-L184 PolarHBondContact O-N 2.82Å; M179-I186 HydrophobicContact CE-CB 3.83Å; M179-I186 HydrophobicContact CE-CD1 4.41Å; M179-I186 HydrophobicContact CE-CG1 3.54Å; M179-I186 HydrophobicContact CE-CG2 3.86Å; M179-I186 HydrophobicContact SD-CB 4.36Å; M179-I186 HydrophobicContact SD-CD1 4.03Å; M179-I186 HydrophobicContact SD-CG1 3.82Å; M179-I186 HydrophobicContact SD-CG2 3.99Å
180	K	90.2	Very high	89.6	Confident	125 Å²	125	67.4 Å²	67.4	54%	0.543	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-49.3	172.9	-69.3	173.4	-170	169.1	0	110.9	M176 E177 Y178 E182 N183	M176-K180 WeakPolarHBondContact O-CG 2.74Å; M176-K180 PolarHBondContact O-N 3.35Å; M176-K180 VanDerWaalsContact O-N 3.09Å; E177-K180 PolarHBondContact O-N 3.47Å; E177-K180 IonicContact OE1-NZ 2.76Å; E177-K180 PolarHBondContact OE1-NZ 3.22Å; Y178-K180 PolarHBondContact O-N 2.79Å; K180-E182 VanDerWaalsContact C-N 3.29Å; K180-E182 PolarHBondContact O-N 2.96Å; K180-N183 PolarHBondContact O-N 3.46Å; K180-N183 PolarHBondContact O-OD1 3.45Å
181	S	92.2	Very high	89.3	Confident	85 Å²	85	65.5 Å²	65.5	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-65.3	-30.6	-175.6	70.6	0	0	0	0	113.5	E177 Y178	E177-S181 WeakPolarHBondContact O-CB 3.27Å; E177-S181 PolarHBondContact O-N 2.9Å; E177-S181 PolarHBondContact O-OG 3.32Å; Y178-S181 PolarHBondContact O-N 3.24Å; Y178-S181 PolarHBondContact O-OG 3.38Å
182	E	91.1	Very high	89.1	Confident	62 Å²	62	70.1 Å²	70.1	29%	0.29	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.9	179	-62.3	-90.4	-160.7	0	0	112.7	K145 Y178 K180 L184	K145-E182 WeakPolarHBondContact CE-OE1 3.46Å; K145-E182 VanDerWaalsContact NZ-CD 3.31Å; K145-E182 IonicContact NZ-OE1 2.89Å; K145-E182 PolarHBondContact NZ-OE1 3Å; K145-E182 IonicContact NZ-OE2 2.85Å; K145-E182 PolarHBondContact NZ-OE2 3.45Å; Y178-E182 HydrophobicContact CD1-CG 4.5Å; Y178-E182 HydrophobicContact CD2-CG 4.26Å; Y178-E182 HydrophobicContact CE1-CG 4.03Å; Y178-E182 HydrophobicContact CE2-CG 3.73Å; Y178-E182 PolarHBondContact O-N 3.13Å; Y178-E182 PolarHBondContact OH-OE1 3.17Å; K180-E182 VanDerWaalsContact C-N 3.29Å; K180-E182 PolarHBondContact O-N 2.96Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 HydrophobicContact CB-CD1 4.11Å; E182-L184 HydrophobicContact CB-CG 3.92Å; E182-L184 PolarHBondContact O-N 3.23Å
183	N	91.3	Very high	88.9	Confident	150 Å²	150	71.3 Å²	71.3	80%	0.802	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.8	-178.9	-65.7	-46.1	0	0	0	114.1	M179 K180	M179-N183 PolarHBondContact O-N 3.3Å; K180-N183 PolarHBondContact O-N 3.46Å; K180-N183 PolarHBondContact O-OD1 3.45Å
184	L	89.2	Confident	88.9	Confident	47 Å²	47	67.7 Å²	67.7	25%	0.246	36%	0.361	C	S	.	.			trans	-88.9	132.8	-178.8	-61.7	176.3	0	0	0	111.3	P149 Y178 M179 E182 I186	P149-L184 HydrophobicContact CG-CD1 4.07Å; Y178-L184 HydrophobicContact CE1-CD1 4.22Å; M179-L184 HydrophobicContact CE-CB 4.19Å; M179-L184 PolarHBondContact O-N 2.82Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 HydrophobicContact CB-CD1 4.11Å; E182-L184 HydrophobicContact CB-CG 3.92Å; E182-L184 PolarHBondContact O-N 3.23Å; L184-I186 PolarHBondContact O-N 3Å
185	T	84.7	Confident	88.9	Confident	134 Å²	134	68.8 Å²	68.8	82%	0.822	36%	0.364	S	S	*	.			trans	-69.7	128.1	171.2	-47.3	0	0	0	0	110.2	P187	T185-P187 VanDerWaalsContact O-CD 3.26Å; T185-P187 WeakPolarHBondContact O-CD 3.36Å
186	I	73.4	Confident	88.9	Confident	45 Å²	45	75.2 Å²	75.2	23%	0.231	39%	0.392	C	S	.	.			trans	-83.2	115.6	178.3	-38.6	-172.5	0	0	0	109.8	M176 M179 L184 N188 L190 N191	M176-I186 HydrophobicContact CE-CD1 3.97Å; M176-I186 HydrophobicContact SD-CD1 4.02Å; M179-I186 HydrophobicContact CE-CB 3.83Å; M179-I186 HydrophobicContact CE-CD1 4.41Å; M179-I186 HydrophobicContact CE-CG1 3.54Å; M179-I186 HydrophobicContact CE-CG2 3.86Å; M179-I186 HydrophobicContact SD-CB 4.36Å; M179-I186 HydrophobicContact SD-CD1 4.03Å; M179-I186 HydrophobicContact SD-CG1 3.82Å; M179-I186 HydrophobicContact SD-CG2 3.99Å; L184-I186 PolarHBondContact O-N 3Å; I186-N188 PolarHBondContact O-N 3.16Å; I186-L190 HydrophobicContact CG2-CB 4.3Å; I186-N191 HydrophobicContact CG2-CB 3.74Å
187	P	81.9	Confident	88.9	Confident	58 Å²	58	73.8 Å²	73.8	38%	0.377	39%	0.386	S	S	.	.			trans	-59.4	134.5	167.8	-21.9	35.3	0	0	0	110	T185 N189 L190 N191	T185-P187 VanDerWaalsContact O-CD 3.26Å; T185-P187 WeakPolarHBondContact O-CD 3.36Å; P187-N189 WeakPolarHBondContact CB-OD1 3.33Å; P187-N189 PolarHBondContact O-N 3.12Å; P187-N189 VanDerWaalsContact O-N 3.11Å; P187-L190 HydrophobicContact CB-CG 4.3Å; P187-L190 HydrophobicContact CG-CD1 4.1Å; P187-L190 HydrophobicContact CG-CG 4.37Å; P187-L190 WeakPolarHBondContact O-CB 3.48Å; P187-L190 PolarHBondContact O-N 2.9Å; P187-N191 PolarHBondContact O-N 3.26Å; P187-N191 VanDerWaalsContact O-N 3.13Å
188	N	86.6	Confident	89	Confident	123 Å²	123	70.3 Å²	70.3	66%	0.658	37%	0.37	S	S	*	.	H	α-helix	trans	-51.3	-41.8	-174	-72	-9	0	0	0	113.1	I186 L190 N191 E192	I186-N188 PolarHBondContact O-N 3.16Å; N188-L190 VanDerWaalsContact C-N 3.3Å; N188-L190 PolarHBondContact O-N 3.09Å; N188-N191 PolarHBondContact O-N 2.71Å; N188-E192 WeakPolarHBondContact O-CG 3.44Å; N188-E192 PolarHBondContact O-N 2.71Å
189	N	87.4	Confident	88.9	Confident	104 Å²	104	75.7 Å²	75.7	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-62.7	-33.1	178.4	68.1	-40.4	0	0	0	113.7	P187 A193	P187-N189 WeakPolarHBondContact CB-OD1 3.33Å; P187-N189 PolarHBondContact O-N 3.12Å; P187-N189 VanDerWaalsContact O-N 3.11Å; N189-A193 WeakPolarHBondContact O-CB 3.38Å; N189-A193 PolarHBondContact O-N 3.25Å; N189-A193 VanDerWaalsContact O-N 3.16Å
190	L	86.6	Confident	88.8	Confident	25 Å²	25	77.8 Å²	77.8	13%	0.131	41%	0.406	C	S	.	.	H	α-helix	trans	-74.4	-41.1	175	-64.1	-169.7	0	0	0	110.8	R150 I153 I186 P187 N188 E192 A193 I194	R150-L190 HydrophobicContact CG-CD1 4.11Å; I153-L190 HydrophobicContact CD1-CB 3.78Å; I153-L190 HydrophobicContact CD1-CD1 4.3Å; I153-L190 HydrophobicContact CD1-CD2 3.79Å; I153-L190 HydrophobicContact CD1-CG 4.15Å; I186-L190 HydrophobicContact CG2-CB 4.3Å; P187-L190 HydrophobicContact CB-CG 4.3Å; P187-L190 HydrophobicContact CG-CD1 4.1Å; P187-L190 HydrophobicContact CG-CG 4.37Å; P187-L190 WeakPolarHBondContact O-CB 3.48Å; P187-L190 PolarHBondContact O-N 2.9Å; N188-L190 VanDerWaalsContact C-N 3.3Å; N188-L190 PolarHBondContact O-N 3.09Å; L190-E192 VanDerWaalsContact C-N 3.34Å; L190-E192 PolarHBondContact O-N 3.5Å; L190-A193 PolarHBondContact O-N 2.96Å; L190-I194 VanDerWaalsContact O-CG1 3.32Å; L190-I194 WeakPolarHBondContact O-CG1 3.35Å; L190-I194 PolarHBondContact O-N 2.96Å
191	N	87.9	Confident	88.8	Confident	55 Å²	55	72.4 Å²	72.4	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-45.9	175.9	-168.8	40.6	0	0	0	111.1	I186 P187 N188 A193 I194 Q195	I186-N191 HydrophobicContact CG2-CB 3.74Å; P187-N191 PolarHBondContact O-N 3.26Å; P187-N191 VanDerWaalsContact O-N 3.13Å; N188-N191 PolarHBondContact O-N 2.71Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 3.44Å; N191-I194 PolarHBondContact O-N 2.92Å; N191-Q195 WeakPolarHBondContact O-CG 3.49Å; N191-Q195 PolarHBondContact O-N 3.38Å
192	E	90.8	Very high	88.4	Confident	131 Å²	131	72.5 Å²	72.5	61%	0.612	38%	0.384	S	S	*	.	H	α-helix	trans	-58.4	-43.4	175	-73.7	169.6	-167.9	0	0	112.1	N188 L190 I194 Q195 K196	N188-E192 WeakPolarHBondContact O-CG 3.44Å; N188-E192 PolarHBondContact O-N 2.71Å; L190-E192 VanDerWaalsContact C-N 3.34Å; L190-E192 PolarHBondContact O-N 3.5Å; E192-I194 VanDerWaalsContact C-N 3.34Å; E192-I194 PolarHBondContact O-N 3.19Å; E192-Q195 PolarHBondContact O-N 2.97Å; E192-K196 VanDerWaalsContact O-CB 3.22Å; E192-K196 WeakPolarHBondContact O-CB 3.46Å; E192-K196 PolarHBondContact O-N 3.34Å
193	A	91	Very high	87.9	Confident	27 Å²	27	74 Å²	74	22%	0.223	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-39.7	177.1	0	0	0	0	0	112.3	I153 N189 L190 N191 G197	I153-A193 HydrophobicContact CG2-CB 4.35Å; N189-A193 WeakPolarHBondContact O-CB 3.38Å; N189-A193 PolarHBondContact O-N 3.25Å; N189-A193 VanDerWaalsContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 2.96Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 3.44Å; A193-G197 PolarHBondContact O-N 2.8Å
194	I	92.1	Very high	87	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.5	-52.2	175.9	-66.5	166.7	0	0	0	110.3	I153 F172 M176 L190 N191 E192 K196 G197 I198	I153-I194 HydrophobicContact CD1-CD1 4Å; I153-I194 HydrophobicContact CD1-CG1 3.84Å; I153-I194 HydrophobicContact CG1-CD1 4.18Å; I153-I194 HydrophobicContact CG1-CG1 3.73Å; F172-I194 HydrophobicContact CB-CG2 4.28Å; F172-I194 HydrophobicContact CD1-CB 4.2Å; F172-I194 HydrophobicContact CD1-CG1 4.08Å; F172-I194 HydrophobicContact CD1-CG2 3.99Å; F172-I194 HydrophobicContact CE1-CG1 4.44Å; F172-I194 HydrophobicContact CG-CG2 4.45Å; M176-I194 HydrophobicContact CG-CG2 3.93Å; M176-I194 HydrophobicContact SD-CD1 3.78Å; M176-I194 HydrophobicContact SD-CG2 3.96Å; L190-I194 VanDerWaalsContact O-CG1 3.32Å; L190-I194 WeakPolarHBondContact O-CG1 3.35Å; L190-I194 PolarHBondContact O-N 2.96Å; N191-I194 PolarHBondContact O-N 2.92Å; E192-I194 VanDerWaalsContact C-N 3.34Å; E192-I194 PolarHBondContact O-N 3.19Å; I194-K196 VanDerWaalsContact C-N 3.32Å; I194-K196 PolarHBondContact O-N 3.38Å; I194-G197 PolarHBondContact O-N 2.98Å; I194-G197 VanDerWaalsContact O-N 3.11Å; I194-I198 HydrophobicContact CG2-CD1 3.73Å; I194-I198 HydrophobicContact CG2-CG1 4.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.42Å; I194-I198 PolarHBondContact O-N 3.18Å
195	Q	93.2	Very high	85.7	Confident	97 Å²	97	77.7 Å²	77.7	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-42.6	-178.2	-67	-56.6	-33.9	0	0	111.8	N191 E192 I198 K199	N191-Q195 WeakPolarHBondContact O-CG 3.49Å; N191-Q195 PolarHBondContact O-N 3.38Å; E192-Q195 PolarHBondContact O-N 2.97Å; Q195-I198 PolarHBondContact O-N 3.05Å; Q195-K199 WeakPolarHBondContact O-CB 3.41Å; Q195-K199 PolarHBondContact O-N 2.9Å
196	K	92	Very high	84.5	Confident	135 Å²	135	76.5 Å²	76.5	59%	0.587	40%	0.396	S	S	*	.	H	α-helix	trans	-59.8	-49.3	173	-175.9	-175.2	174	-170.7	0	111	E192 I194 I198 K199 D200	E192-K196 VanDerWaalsContact O-CB 3.22Å; E192-K196 WeakPolarHBondContact O-CB 3.46Å; E192-K196 PolarHBondContact O-N 3.34Å; I194-K196 VanDerWaalsContact C-N 3.32Å; I194-K196 PolarHBondContact O-N 3.38Å; K196-I198 PolarHBondContact O-N 3.16Å; K196-K199 WeakPolarHBondContact O-CB 3.42Å; K196-K199 PolarHBondContact O-N 2.95Å; K196-K199 VanDerWaalsContact O-N 3.17Å; K196-D200 PolarHBondContact O-N 3.2Å
197	G	91.9	Very high	83.6	Confident	4 Å²	4	81.6 Å²	81.6	4%	0.041	42%	0.419	C	S	.	.	H	α-helix	trans	-61.1	-40.4	-180	0	0	0	0	0	113.7	A193 I194 K199 D200 C201	A193-G197 PolarHBondContact O-N 2.8Å; I194-G197 PolarHBondContact O-N 2.98Å; I194-G197 VanDerWaalsContact O-N 3.11Å; G197-K199 VanDerWaalsContact C-N 3.34Å; G197-D200 PolarHBondContact O-N 2.77Å; G197-C201 PolarHBondContact O-N 2.96Å; G197-C201 PolarHBondContact O-SG 3.47Å
198	I	93.3	Very high	82.3	Confident	32 Å²	32	86.7 Å²	86.7	16%	0.164	44%	0.442	C	S	.	.	H	α-helix	trans	-61.6	-44.3	174.4	-70.3	171.7	0	0	0	110.5	L169 F172 I194 Q195 K196 C201 S202	L169-I198 HydrophobicContact CD1-CB 4.3Å; L169-I198 HydrophobicContact CD1-CG1 4.13Å; L169-I198 HydrophobicContact CD1-CG2 3.88Å; F172-I198 HydrophobicContact CB-CD1 4.16Å; F172-I198 HydrophobicContact CB-CG1 3.69Å; F172-I198 HydrophobicContact CD2-CG1 4.24Å; F172-I198 HydrophobicContact CG-CG1 4.08Å; I194-I198 HydrophobicContact CG2-CD1 3.73Å; I194-I198 HydrophobicContact CG2-CG1 4.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.42Å; I194-I198 PolarHBondContact O-N 3.18Å; Q195-I198 PolarHBondContact O-N 3.05Å; K196-I198 PolarHBondContact O-N 3.16Å; I198-C201 PolarHBondContact O-N 3.32Å; I198-S202 WeakPolarHBondContact O-CB 3.39Å; I198-S202 PolarHBondContact O-N 3.36Å; I198-S202 PolarHBondContact O-OG 2.93Å
199	K	91	Very high	80.6	Confident	144 Å²	144	87.8 Å²	87.8	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-63.3	-43.7	176.3	-175.4	-177.2	178.3	-177.9	0	111.5	Q195 K196 G197 C201 S202 T203	Q195-K199 WeakPolarHBondContact O-CB 3.41Å; Q195-K199 PolarHBondContact O-N 2.9Å; K196-K199 WeakPolarHBondContact O-CB 3.42Å; K196-K199 PolarHBondContact O-N 2.95Å; K196-K199 VanDerWaalsContact O-N 3.17Å; G197-K199 VanDerWaalsContact C-N 3.34Å; K199-C201 PolarHBondContact O-N 2.74Å; K199-S202 PolarHBondContact O-N 2.53Å; K199-T203 WeakPolarHBondContact O-CG2 3.5Å; K199-T203 PolarHBondContact O-N 3.06Å; K199-T203 VanDerWaalsContact O-N 3.12Å; K199-T203 PolarHBondContact O-OG1 2.99Å
200	D	87.3	Confident	79	Confident	51 Å²	51	88.3 Å²	88.3	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-61.4	-44.7	177.9	-66.7	-14.4	0	0	0	110.4	K196 G197 S202 T203 M204	K196-D200 PolarHBondContact O-N 3.2Å; G197-D200 PolarHBondContact O-N 2.77Å; D200-S202 VanDerWaalsContact C-N 3.28Å; D200-S202 PolarHBondContact O-N 3.39Å; D200-T203 PolarHBondContact O-N 2.85Å; D200-T203 PolarHBondContact O-OG1 2.97Å; D200-M204 WeakPolarHBondContact O-CG 3.22Å; D200-M204 PolarHBondContact O-N 2.86Å
201	C	89	Confident	77.7	Confident	12 Å²	12	92.5 Å²	92.5	8%	0.081	47%	0.471	C	S	.	.	H	α-helix	trans	-64.5	-29.9	176.2	-64.2	0	0	0	0	113.5	L169 G197 I198 K199	L169-C201 HydrophobicContact CB-CB 4.09Å; L169-C201 HydrophobicContact CD1-CB 4.49Å; G197-C201 PolarHBondContact O-N 2.96Å; G197-C201 PolarHBondContact O-SG 3.47Å; I198-C201 PolarHBondContact O-N 3.32Å; K199-C201 PolarHBondContact O-N 2.74Å
202	S	84	Confident	76.4	Confident	86 Å²	86	90.4 Å²	90.4	60%	0.601	46%	0.46	S	S	*	.	H	α-helix	trans	-82.8	-22.3	-177.8	-56.2	0	0	0	0	113.4	I198 K199 D200	I198-S202 WeakPolarHBondContact O-CB 3.39Å; I198-S202 PolarHBondContact O-N 3.36Å; I198-S202 PolarHBondContact O-OG 2.93Å; K199-S202 PolarHBondContact O-N 2.53Å; D200-S202 VanDerWaalsContact C-N 3.28Å; D200-S202 PolarHBondContact O-N 3.39Å
203	T	81.5	Confident	74.9	Confident	93 Å²	93	85.6 Å²	85.6	57%	0.571	44%	0.441	S	S	*	.	H	α-helix	trans	-95.8	-26.5	-175.2	49.3	0	0	0	0	112.9	K199 D200	K199-T203 WeakPolarHBondContact O-CG2 3.5Å; K199-T203 PolarHBondContact O-N 3.06Å; K199-T203 VanDerWaalsContact O-N 3.12Å; K199-T203 PolarHBondContact O-OG1 2.99Å; D200-T203 PolarHBondContact O-N 2.85Å; D200-T203 PolarHBondContact O-OG1 2.97Å
204	M	72.5	Confident	73.7	Confident	103 Å²	103	88.4 Å²	88.4	51%	0.507	46%	0.455	S	S	.	.			trans	-82.4	119.7	-179.4	-66.3	-162.7	178.9	0	0	111.3	F165 D200	F165-M204 HydrophobicContact CD1-CB 4.38Å; F165-M204 HydrophobicContact CE1-CB 4.05Å; F165-M204 HydrophobicContact CE1-CG 4.39Å; F165-M204 HydrophobicContact CE1-SD 3.63Å; F165-M204 HydrophobicContact CE2-CB 4.24Å; F165-M204 HydrophobicContact CZ-CB 3.97Å; F165-M204 HydrophobicContact CZ-CG 4.49Å; F165-M204 HydrophobicContact CZ-SD 3.75Å; D200-M204 WeakPolarHBondContact O-CG 3.22Å; D200-M204 PolarHBondContact O-N 2.86Å
205	K	62.4	Low	72.8	Confident	173 Å²	173	88.5 Å²	88.5	75%	0.752	46%	0.456	S	S	*	.			trans	-80.1	151.5	163.5	-68	-177.6	179.3	178.5	0	108.6	E207	K205-E207 HydrophobicContact CB-CG 4.47Å; K205-E207 PolarHBondContact O-N 2.7Å
206	D	59.1	Low	72.2	Confident	108 Å²	108	84.8 Å²	84.8	58%	0.578	44%	0.44	S	S	*	.			trans	-64.2	36.7	179.5	-70.8	-33.5	0	0	0	114	L208	D206-L208 PolarHBondContact O-N 2.98Å
207	E	54.3	Low	71.9	Confident	152 Å²	152	80.1 Å²	80.1	71%	0.71	42%	0.419	S	S	*	.			trans	-70	127.3	-176.2	-79.1	-176.4	175.9	0	0	112.6	K205 L209	K205-E207 HydrophobicContact CB-CG 4.47Å; K205-E207 PolarHBondContact O-N 2.7Å; E207-L209 PolarHBondContact O-N 3.1Å
208	L	53.7	Low	71.7	Confident	166 Å²	166	81.9 Å²	81.9	87%	0.869	43%	0.425	S	S	*	.			trans	-74.8	78.9	-171.7	-81.9	136.3	0	0	0	112.7	D206	D206-L208 PolarHBondContact O-N 2.98Å
209	L	52.2	Low	71.5	Confident	145 Å²	145	81.9 Å²	81.9	76%	0.759	43%	0.427	S	S	*	.			trans	-127.3	96.2	161.9	-70.9	170.6	0	0	0	109.8	K163 E207 D211	K163-L209 PolarHBondContact NZ-O 3.44Å; E207-L209 PolarHBondContact O-N 3.1Å; L209-D211 PolarHBondContact O-N 3.26Å
210	I	53.4	Low	71.5	Confident	115 Å²	115	76.1 Å²	76.1	59%	0.59	40%	0.402	S	S	*	.			trans	-66.2	114.5	174.1	-60.4	171.4	0	0	0	107.5	D212	I210-D212 WeakPolarHBondContact CG2-OD1 3.45Å; I210-D212 PolarHBondContact O-N 3.45Å; I210-D212 VanDerWaalsContact O-N 3.14Å
211	D	58.3	Low	71.5	Confident	113 Å²	113	79.1 Å²	79.1	60%	0.604	42%	0.415	S	S	*	.			trans	-73.9	101.8	166.9	-174.8	4.2	0	0	0	108.3	L209 S213	L209-D211 PolarHBondContact O-N 3.26Å; D211-S213 VanDerWaalsContact C-N 3.33Å; D211-S213 VanDerWaalsContact CG-OG 3.32Å; D211-S213 WeakPolarHBondContact OD1-CB 3.48Å; D211-S213 PolarHBondContact OD1-N 3.35Å; D211-S213 PolarHBondContact OD1-OG 3.17Å; D211-S213 PolarHBondContact OD2-OG 3.14Å
212	D	61.6	Low	71.3	Confident	12 Å²	12	80.1 Å²	80.1	6%	0.064	42%	0.423	C	S	.	.			trans	-89.2	2	177.8	-80.1	-43	0	0	0	112.5	I210 V214 P583 S763 K766	I210-D212 WeakPolarHBondContact CG2-OD1 3.45Å; I210-D212 PolarHBondContact O-N 3.45Å; I210-D212 VanDerWaalsContact O-N 3.14Å; D212-V214 VanDerWaalsContact C-N 3.32Å; D212-V214 PolarHBondContact O-N 3.42Å; D212-P583 WeakPolarHBondContact O-CD 3Å; D212-P583 WeakPolarHBondContact O-CG 3.18Å; D212-S763 PolarHBondContact OD1-OG 3.06Å; D212-K766 WeakPolarHBondContact OD2-CD 3.43Å; D212-K766 WeakPolarHBondContact OD2-CE 3.49Å; D212-K766 IonicContact OD2-NZ 2.68Å; D212-K766 PolarHBondContact OD2-NZ 3.3Å
213	S	60.2	Low	71.1	Confident	29 Å²	29	79.4 Å²	79.4	20%	0.203	41%	0.41	C	S	.	.	S	Bend	trans	-68	-27.8	-169.2	64.9	0	0	0	0	113.9	D211	D211-S213 VanDerWaalsContact C-N 3.33Å; D211-S213 VanDerWaalsContact CG-OG 3.32Å; D211-S213 WeakPolarHBondContact OD1-CB 3.48Å; D211-S213 PolarHBondContact OD1-N 3.35Å; D211-S213 PolarHBondContact OD1-OG 3.17Å; D211-S213 PolarHBondContact OD2-OG 3.14Å
214	V	65.4	Low	71	Confident	86 Å²	86	77.5 Å²	77.5	52%	0.521	40%	0.4	S	S	.	.			trans	-139	116.1	179.8	-171.6	0	0	0	0	110.8	D212	D212-V214 VanDerWaalsContact C-N 3.32Å; D212-V214 PolarHBondContact O-N 3.42Å
215	I	73.5	Confident	71.2	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	39%	0.385	C	S	.	.			trans	-120.1	88.4	175.3	-58.9	174	0	0	0	107.3	Y217 F218 F563 P583 S763 K765 Y819	I215-Y217 PolarHBondContact O-N 3.13Å; I215-F218 HydrophobicContact CG2-CB 3.44Å; I215-F218 VanDerWaalsContact CG2-CB 3.44Å; I215-F218 HydrophobicContact CG2-CG 4.44Å; I215-F563 WeakPolarHBondContact O-CE1 3.43Å; I215-F563 WeakPolarHBondContact O-CZ 3.37Å; I215-P583 HydrophobicContact CD1-CG 4.2Å; I215-P583 HydrophobicContact CG1-CG 4.29Å; I215-S763 VanDerWaalsContact CD1-OG 3.23Å; I215-S763 WeakPolarHBondContact CD1-OG 3.44Å; I215-K765 HydrophobicContact CD1-CD 3.87Å; I215-K765 HydrophobicContact CD1-CG 3.86Å; I215-K765 HydrophobicContact CG1-CD 4.35Å; I215-Y819 HydrophobicContact CB-CD1 4.48Å; I215-Y819 HydrophobicContact CG2-CD1 4.35Å
216	P	78.7	Confident	71.1	Confident	20 Å²	20	72.6 Å²	72.6	13%	0.13	38%	0.382	C	S	.	.	S	Bend	trans	-65.3	-31.9	-176.6	26.1	-32.7	0	0	0	111.7	I125 V127 S821 I824	I125-P216 WeakPolarHBondContact O-CB 3.31Å; I125-P216 WeakPolarHBondContact O-CG 3.26Å; V127-P216 HydrophobicContact CG2-CG 4.44Å; P216-S821 WeakPolarHBondContact O-CB 3.26Å; P216-S821 PolarHBondContact O-N 3.26Å; P216-I824 VanDerWaalsContact O-CD1 3.27Å; P216-I824 WeakPolarHBondContact O-CD1 3.35Å
217	Y	86.7	Confident	70.8	Confident	37 Å²	37	70.2 Å²	70.2	15%	0.145	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	134.1	178.4	-174.1	-112.1	0	0	0	109.4	V127 I215 V219 R319 I321 Y819 E820 I824	V127-Y217 HydrophobicContact CG1-CD1 3.81Å; V127-Y217 HydrophobicContact CG1-CG 4.4Å; V127-Y217 HydrophobicContact CG2-CG 4.33Å; I215-Y217 PolarHBondContact O-N 3.13Å; Y217-V219 HydrophobicContact CD1-CG2 4.48Å; Y217-V219 HydrophobicContact CE1-CG2 3.58Å; Y217-V219 HydrophobicContact CE2-CG2 4Å; Y217-V219 WeakPolarHBondContact OH-CG2 3.48Å; Y217-R319 WeakPolarHBondContact OH-CG 3.49Å; Y217-R319 PolarHBondContact OH-O 3.38Å; Y217-I321 HydrophobicContact CD1-CD1 4.36Å; Y217-I321 HydrophobicContact CD1-CG2 4.47Å; Y217-I321 HydrophobicContact CD2-CD1 4.19Å; Y217-I321 HydrophobicContact CE1-CB 4Å; Y217-I321 HydrophobicContact CE1-CG2 4Å; Y217-I321 HydrophobicContact CE2-CB 4.16Å; Y217-I321 HydrophobicContact CE2-CD1 4.48Å; Y217-I321 HydrophobicContact CG-CD1 4.11Å; Y217-I321 PolarHBondContact OH-N 2.92Å; Y217-Y819 CarbonylContact C-O 3.58Å; Y217-Y819 WeakPolarHBondContact CA-O 3.34Å; Y217-E820 HydrophobicContact CD2-CG 3.93Å; Y217-E820 HydrophobicContact CE2-CG 4.07Å; Y217-I824 HydrophobicContact CD2-CD1 3.69Å; Y217-I824 HydrophobicContact CD2-CG2 4.41Å; Y217-I824 HydrophobicContact CG-CD1 3.95Å
218	F	87.7	Confident	70.6	Confident	40 Å²	40	70.6 Å²	70.6	18%	0.175	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	137.5	169.8	169.2	-92.1	0	0	0	109.3	I215 H220 P764 K765 W817 S818 Y819	I215-F218 HydrophobicContact CG2-CB 3.44Å; I215-F218 VanDerWaalsContact CG2-CB 3.44Å; I215-F218 HydrophobicContact CG2-CG 4.44Å; F218-H220 HydrophobicContact CE1-CB 4Å; F218-H220 HydrophobicContact CZ-CB 4.44Å; F218-P764 HydrophobicContact CD1-CB 3.65Å; F218-P764 HydrophobicContact CE1-CB 3.83Å; F218-P764 HydrophobicContact CG-CB 4.16Å; F218-P764 HydrophobicContact CZ-CB 4.48Å; F218-K765 HydrophobicContact CD2-CG 4.06Å; F218-K765 HydrophobicContact CE2-CG 4.04Å; F218-W817 HydrophobicContact CD1-CE3 4.45Å; F218-W817 HydrophobicContact CD1-CH2 4.02Å; F218-W817 AromaticContact CD1-CZ3 3.79Å; F218-W817 HydrophobicContact CD1-CZ3 3.79Å; F218-W817 HydrophobicContact CE1-CE3 4.4Å; F218-W817 AromaticContact CE1-CH2 3.52Å; F218-W817 HydrophobicContact CE1-CH2 3.52Å; F218-W817 AromaticContact CE1-CZ2 3.99Å; F218-W817 HydrophobicContact CE1-CZ2 3.99Å; F218-W817 AromaticContact CE1-CZ3 3.74Å; F218-W817 HydrophobicContact CE1-CZ3 3.74Å; F218-S818 CarbonylContact O-C 3.41Å; F218-S818 VanDerWaalsContact O-CA 3.28Å; F218-S818 WeakPolarHBondContact O-CA 3.42Å; F218-Y819 PolarHBondContact N-O 2.77Å; F218-Y819 PolarHBondContact O-N 2.72Å
219	V	89.4	Confident	70.3	Confident	32 Å²	32	67.8 Å²	67.8	19%	0.194	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.8	173.3	175.9	0	0	0	0	107.2	Y217 R319 W817	Y217-V219 HydrophobicContact CD1-CG2 4.48Å; Y217-V219 HydrophobicContact CE1-CG2 3.58Å; Y217-V219 HydrophobicContact CE2-CG2 4Å; Y217-V219 WeakPolarHBondContact OH-CG2 3.48Å; V219-R319 HydrophobicContact CG1-CB 4.26Å; V219-R319 HydrophobicContact CG2-CB 4.07Å; V219-R319 HydrophobicContact CG2-CG 4.08Å; V219-W817 CarbonylContact C-O 3.58Å; V219-W817 WeakPolarHBondContact CA-O 3.4Å
220	H	90.2	Very high	70.2	Confident	24 Å²	24	62.7 Å²	62.7	11%	0.111	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.3	161.5	-169.5	90.2	0	0	0	107.6	F218 T815 G816 W817	F218-H220 HydrophobicContact CE1-CB 4Å; F218-H220 HydrophobicContact CZ-CB 4.44Å; H220-T815 PolarHBondContact CD2-O 2.95Å; H220-G816 CarbonylContact O-C 3.51Å; H220-G816 WeakPolarHBondContact O-CA 3.43Å; H220-W817 HydrophobicContact CB-CD2 3.6Å; H220-W817 HydrophobicContact CB-CE3 4.33Å; H220-W817 HydrophobicContact CB-CG 3.79Å; H220-W817 HydrophobicContact CB-CZ2 3.89Å; H220-W817 VanDerWaalsContact CB-NE1 3.28Å; H220-W817 AromaticContact CD2-CD1 3.92Å; H220-W817 AromaticContact CD2-NE1 3.59Å; H220-W817 AromaticContact CG-CD1 3.86Å; H220-W817 AromaticContact CG-CE2 3.73Å; H220-W817 AromaticContact CG-NE1 3.3Å; H220-W817 VanDerWaalsContact CG-NE1 3.3Å; H220-W817 PolarHBondContact N-O 3.28Å; H220-W817 AromaticContact ND1-NE1 3.9Å; H220-W817 PolarHBondContact O-N 3.1Å
221	E	87	Confident	70.5	Confident	114 Å²	114	61.4 Å²	61.4	53%	0.533	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-76.6	136.9	176.5	-63.4	-170.5	-169.4	0	0	110.2	K223 K318	E221-K223 PolarHBondContact O-N 2.76Å; E221-K318 WeakPolarHBondContact OE1-CE 3.49Å; E221-K318 IonicContact OE1-NZ 2.76Å; E221-K318 PolarHBondContact OE1-NZ 2.78Å; E221-K318 IonicContact OE2-NZ 3.73Å
222	A	86.1	Confident	70.4	Confident	32 Å²	32	56.2 Å²	56.2	26%	0.264	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-58.4	136.7	174.3	0	0	0	0	0	109.9	D620 H814	A222-D620 HydrophobicContact CB-CB 4Å; A222-H814 WeakPolarHBondContact CA-O 3.47Å
223	K	79.7	Confident	70.4	Confident	71 Å²	71	60.5 Å²	60.5	31%	0.309	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-89.8	135.1	-177.8	-68.3	-173.2	-178.1	177.6	0	110.4	E221 L225 I619 N769 H814	E221-K223 PolarHBondContact O-N 2.76Å; K223-L225 PolarHBondContact O-N 2.93Å; K223-I619 VanDerWaalsContact O-CG2 3.3Å; K223-I619 WeakPolarHBondContact O-CG2 3.28Å; K223-N769 PolarHBondContact NZ-ND2 2.69Å; K223-N769 PolarHBondContact NZ-OD1 3.49Å; K223-H814 PolarHBondContact N-O 3.38Å
224	S	79	Confident	70.4	Confident	53 Å²	53	66.1 Å²	66.1	37%	0.371	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-74	124	170.4	-161	0	0	0	0	110.4	I226 D620	S224-I226 PolarHBondContact O-N 3.42Å; S224-I226 VanDerWaalsContact O-N 3.08Å; S224-I226 WeakPolarHBondContact OG-CG1 3.03Å; S224-D620 WeakPolarHBondContact CA-OD1 3.31Å; S224-D620 WeakPolarHBondContact CB-OD2 3.37Å; S224-D620 PolarHBondContact OG-OD1 2.91Å; S224-D620 PolarHBondContact OG-OD2 3.08Å
225	L	76.4	Confident	70.2	Confident	38 Å²	38	63 Å²	63	20%	0.199	32%	0.32	C	S	.	.			trans	-84.1	58.2	170.6	-65.4	176.6	0	0	0	108.9	K223 M227 L293 L296 I619 A625	K223-L225 PolarHBondContact O-N 2.93Å; L225-M227 PolarHBondContact O-N 2.89Å; L225-L293 HydrophobicContact CD1-CD2 4.23Å; L225-L296 HydrophobicContact CB-CD2 4.21Å; L225-L296 HydrophobicContact CD1-CD1 4.39Å; L225-I619 HydrophobicContact CD1-CD1 3.67Å; L225-I619 HydrophobicContact CD1-CG1 4.04Å; L225-I619 HydrophobicContact CD1-CG2 4.34Å; L225-I619 HydrophobicContact CG-CD1 4.3Å; L225-I619 HydrophobicContact CG-CG2 4.19Å; L225-A625 HydrophobicContact CD1-CB 3.97Å
226	I	60	Low	69.5	Low	135 Å²	135	63.8 Å²	63.8	69%	0.692	32%	0.324	S	S	*	.			trans	-64.7	99.4	-178.3	-54.3	177.2	0	0	0	108.6	S224 K228	S224-I226 PolarHBondContact O-N 3.42Å; S224-I226 VanDerWaalsContact O-N 3.08Å; S224-I226 WeakPolarHBondContact OG-CG1 3.03Å; I226-K228 PolarHBondContact O-N 3Å
227	M	53.9	Low	68.8	Low	59 Å²	59	67.2 Å²	67.2	29%	0.291	34%	0.341	S	S	.	.			trans	-66.3	128.1	153.5	-78.5	-171.6	69.5	0	0	107.2	L225 H229 T232 L264	L225-M227 PolarHBondContact O-N 2.89Å; M227-H229 PolarHBondContact O-N 3.41Å; M227-T232 WeakPolarHBondContact CE-OG1 3.44Å; M227-L264 WeakPolarHBondContact CE-O 3.42Å; M227-L264 VanDerWaalsContact SD-CA 3.6Å; M227-L264 HydrophobicContact SD-CB 3.87Å; M227-L264 HydrophobicContact SD-CD2 3.6Å; M227-L264 HydrophobicContact SD-CG 4.32Å; M227-L264 VanDerWaalsContact SD-O 3.34Å
228	K	49.2	Very low	67.6	Low	160 Å²	160	71 Å²	71	70%	0.696	36%	0.357	S	S	*	.			trans	-47.9	110.6	169.9	-75.5	-175.8	177.3	-179.2	0	106.7	I226 G230 N231	I226-K228 PolarHBondContact O-N 3Å; K228-G230 PolarHBondContact O-N 3.19Å; K228-N231 WeakPolarHBondContact O-CB 3.19Å; K228-N231 PolarHBondContact O-N 2.99Å
229	H	48.2	Very low	66.1	Low	107 Å²	107	70.1 Å²	70.1	50%	0.495	36%	0.355	S	S	.	.	H	α-helix	trans	-50.4	-34.7	-171.7	-124.1	-31.2	0	0	0	111.8	M227 N231 T232 Q233 R260	M227-H229 PolarHBondContact O-N 3.41Å; H229-N231 VanDerWaalsContact C-N 3.29Å; H229-N231 PolarHBondContact O-N 3.3Å; H229-T232 PolarHBondContact O-N 3.47Å; H229-Q233 WeakPolarHBondContact O-CB 3.48Å; H229-Q233 PolarHBondContact O-N 3.23Å; H229-R260 PolarHBondContact CE1-NH1 3.38Å; H229-R260 VanDerWaalsContact CE1-NH1 3.29Å
230	G	50.1	Low	64.6	Low	38 Å²	38	69.9 Å²	69.9	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-30.8	174.6	0	0	0	0	0	114.9	K228 K234	K228-G230 PolarHBondContact O-N 3.19Å; G230-K234 WeakPolarHBondContact O-CB 3.28Å; G230-K234 VanDerWaalsContact O-CD 3.27Å; G230-K234 WeakPolarHBondContact O-CD 3.5Å; G230-K234 WeakPolarHBondContact O-CG 3.49Å; G230-K234 PolarHBondContact O-N 3.12Å; G230-K234 VanDerWaalsContact O-N 3.07Å
231	N	58.6	Low	62.7	Low	87 Å²	87	74.3 Å²	74.3	47%	0.465	38%	0.379	S	S	.	.	H	α-helix	trans	-71.7	-53.3	175.5	-73.1	3.4	0	0	0	110.5	K228 H229 Q233 K234 I235	K228-N231 WeakPolarHBondContact O-CB 3.19Å; K228-N231 PolarHBondContact O-N 2.99Å; H229-N231 VanDerWaalsContact C-N 3.29Å; H229-N231 PolarHBondContact O-N 3.3Å; N231-Q233 VanDerWaalsContact C-N 3.33Å; N231-Q233 PolarHBondContact O-N 2.83Å; N231-K234 PolarHBondContact O-N 2.85Å; N231-I235 WeakPolarHBondContact O-CB 3.41Å; N231-I235 WeakPolarHBondContact O-CD1 3.45Å; N231-I235 WeakPolarHBondContact O-CG1 3.31Å; N231-I235 PolarHBondContact O-N 2.8Å
232	T	56.2	Low	60.9	Low	5 Å²	5	73.6 Å²	73.6	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-41.7	-179.7	-39.8	0	0	0	0	111.4	M227 H229 I235 I236 R260	M227-T232 WeakPolarHBondContact CE-OG1 3.44Å; H229-T232 PolarHBondContact O-N 3.47Å; T232-I235 PolarHBondContact O-N 3.38Å; T232-I236 HydrophobicContact CG2-CD1 4.12Å; T232-I236 VanDerWaalsContact O-CG1 3.24Å; T232-I236 WeakPolarHBondContact O-CG1 3.24Å; T232-I236 PolarHBondContact O-N 3.32Å; T232-R260 HydrophobicContact CG2-CG 4.14Å
233	Q	61.1	Low	58.7	Low	102 Å²	102	76.7 Å²	76.7	48%	0.477	40%	0.398	S	S	.	.	H	α-helix	trans	-68.9	-37.8	179.4	-162.3	163.9	5.2	0	0	112.1	H229 N231 I235 I236 I237	H229-Q233 WeakPolarHBondContact O-CB 3.48Å; H229-Q233 PolarHBondContact O-N 3.23Å; N231-Q233 VanDerWaalsContact C-N 3.33Å; N231-Q233 PolarHBondContact O-N 2.83Å; Q233-I235 VanDerWaalsContact C-N 3.35Å; Q233-I236 PolarHBondContact O-N 3.24Å; Q233-I237 HydrophobicContact CG-CD1 4.18Å; Q233-I237 WeakPolarHBondContact O-CB 3.38Å; Q233-I237 WeakPolarHBondContact O-CD1 3.45Å; Q233-I237 VanDerWaalsContact O-CG1 3.23Å; Q233-I237 WeakPolarHBondContact O-CG1 3.43Å; Q233-I237 PolarHBondContact O-N 3.34Å
234	K	61.5	Low	56.5	Low	146 Å²	146	80 Å²	80	64%	0.635	42%	0.419	S	S	*	.	H	α-helix	trans	-62.2	-41.5	170.3	-77.7	172.5	-175	-174.1	0	112	G230 N231 I237 K238	G230-K234 WeakPolarHBondContact O-CB 3.28Å; G230-K234 VanDerWaalsContact O-CD 3.27Å; G230-K234 WeakPolarHBondContact O-CD 3.5Å; G230-K234 WeakPolarHBondContact O-CG 3.49Å; G230-K234 PolarHBondContact O-N 3.12Å; G230-K234 VanDerWaalsContact O-N 3.07Å; N231-K234 PolarHBondContact O-N 2.85Å; K234-I237 PolarHBondContact O-N 2.96Å; K234-K238 WeakPolarHBondContact O-CB 3.33Å; K234-K238 PolarHBondContact O-N 2.68Å
235	I	60.7	Low	54.4	Low	21 Å²	21	84.5 Å²	84.5	11%	0.108	44%	0.439	C	S	.	.	H	α-helix	trans	-63.2	-46.3	177	-66.8	163.6	0	0	0	110.2	N231 T232 Q233 K238 N239 Y263 D266	N231-I235 WeakPolarHBondContact O-CB 3.41Å; N231-I235 WeakPolarHBondContact O-CD1 3.45Å; N231-I235 WeakPolarHBondContact O-CG1 3.31Å; N231-I235 PolarHBondContact O-N 2.8Å; T232-I235 PolarHBondContact O-N 3.38Å; Q233-I235 VanDerWaalsContact C-N 3.35Å; I235-K238 PolarHBondContact O-N 3.17Å; I235-N239 WeakPolarHBondContact O-CB 3.35Å; I235-N239 PolarHBondContact O-N 3.48Å; I235-N239 PolarHBondContact O-ND2 2.6Å; I235-Y263 HydrophobicContact CG2-CD1 4.17Å; I235-D266 HydrophobicContact CD1-CB 3.88Å; I235-D266 HydrophobicContact CG1-CB 3.82Å; I235-D266 HydrophobicContact CG2-CB 3.96Å
236	I	59.3	Low	52.4	Low	19 Å²	19	85.8 Å²	85.8	10%	0.097	46%	0.462	C	S	.	.	H	α-helix	trans	-59.5	-52.1	176.6	-68.2	164.4	0	0	0	110.2	T232 Q233 K238 N239 C240 L259 R260	T232-I236 HydrophobicContact CG2-CD1 4.12Å; T232-I236 VanDerWaalsContact O-CG1 3.24Å; T232-I236 WeakPolarHBondContact O-CG1 3.24Å; T232-I236 PolarHBondContact O-N 3.32Å; Q233-I236 PolarHBondContact O-N 3.24Å; I236-K238 VanDerWaalsContact C-N 3.34Å; I236-K238 PolarHBondContact O-N 3.4Å; I236-N239 PolarHBondContact O-N 3.4Å; I236-C240 WeakPolarHBondContact O-CB 3.48Å; I236-C240 PolarHBondContact O-N 3.16Å; I236-C240 PolarHBondContact O-SG 3.45Å; I236-L259 HydrophobicContact CG2-CD1 4.5Å; I236-R260 HydrophobicContact CD1-CB 4.23Å
237	I	63.2	Low	51.4	Low	92 Å²	92	85.4 Å²	85.4	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-44.7	-179.8	-67.7	164.5	0	0	0	111.1	Q233 K234 N239 N241	Q233-I237 HydrophobicContact CG-CD1 4.18Å; Q233-I237 WeakPolarHBondContact O-CB 3.38Å; Q233-I237 WeakPolarHBondContact O-CD1 3.45Å; Q233-I237 VanDerWaalsContact O-CG1 3.23Å; Q233-I237 WeakPolarHBondContact O-CG1 3.43Å; Q233-I237 PolarHBondContact O-N 3.34Å; K234-I237 PolarHBondContact O-N 2.96Å; I237-N239 VanDerWaalsContact C-N 3.32Å; I237-N239 PolarHBondContact O-N 3.38Å; I237-N241 WeakPolarHBondContact O-CB 3.17Å; I237-N241 PolarHBondContact O-N 3.33Å; I237-N241 PolarHBondContact O-ND2 3.42Å
238	K	62	Low	50.7	Low	115 Å²	115	89.3 Å²	89.3	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-42.2	178.4	-179.2	-174.8	167.3	-159.8	0	111.5	K234 I235 I236 D266	K234-K238 WeakPolarHBondContact O-CB 3.33Å; K234-K238 PolarHBondContact O-N 2.68Å; I235-K238 PolarHBondContact O-N 3.17Å; I236-K238 VanDerWaalsContact C-N 3.34Å; I236-K238 PolarHBondContact O-N 3.4Å; K238-D266 IonicContact NZ-OD2 3.32Å; K238-D266 PolarHBondContact NZ-OD2 2.75Å
239	N	56.9	Low	50.7	Low	23 Å²	23	86.5 Å²	86.5	12%	0.123	49%	0.485	C	S	.	.	H	α-helix	trans	-77.9	-39.6	-179	-73.2	-22.6	0	0	0	112.3	I235 I236 I237 N241 N242 H252 Y263	I235-N239 WeakPolarHBondContact O-CB 3.35Å; I235-N239 PolarHBondContact O-N 3.48Å; I235-N239 PolarHBondContact O-ND2 2.6Å; I236-N239 PolarHBondContact O-N 3.4Å; I237-N239 VanDerWaalsContact C-N 3.32Å; I237-N239 PolarHBondContact O-N 3.38Å; N239-N241 PolarHBondContact O-N 2.69Å; N239-N242 PolarHBondContact O-N 3.45Å; N239-N242 VanDerWaalsContact O-N 3.16Å; N239-H252 PolarHBondContact O-CE1 3.36Å; N239-H252 PolarHBondContact O-ND1 3.26Å; N239-Y263 HydrophobicContact CB-CE1 4.39Å; N239-Y263 WeakPolarHBondContact ND2-CD1 3.5Å; N239-Y263 WeakPolarHBondContact ND2-CE1 3.25Å
240	C	56.7	Low	50.8	Low	26 Å²	26	83.9 Å²	83.9	18%	0.176	48%	0.476	C	S	.	.	H	α-helix	trans	-59.3	-31	174.3	-70.4	0	0	0	0	112.6	I236	I236-C240 WeakPolarHBondContact O-CB 3.48Å; I236-C240 PolarHBondContact O-N 3.16Å; I236-C240 PolarHBondContact O-SG 3.45Å
241	N	51.1	Low	51.1	Low	118 Å²	118	83.2 Å²	83.2	63%	0.631	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.7	179.6	-69.9	-12.8	0	0	0	114.3	I237 N239 S243	I237-N241 WeakPolarHBondContact O-CB 3.17Å; I237-N241 PolarHBondContact O-N 3.33Å; I237-N241 PolarHBondContact O-ND2 3.42Å; N239-N241 PolarHBondContact O-N 2.69Å; N241-S243 VanDerWaalsContact C-N 3.33Å; N241-S243 PolarHBondContact O-N 3.38Å
242	N	48	Very low	51.2	Low	98 Å²	98	81.4 Å²	81.4	52%	0.524	45%	0.452	S	S	.	.			trans	-89.6	66.7	178.1	-80.8	-14.3	0	0	0	110.4	N239 N244 H252	N239-N242 PolarHBondContact O-N 3.45Å; N239-N242 VanDerWaalsContact O-N 3.16Å; N242-N244 PolarHBondContact O-N 3.04Å; N242-N244 VanDerWaalsContact O-N 3.17Å; N242-H252 PolarHBondContact O-NE2 3.08Å
243	S	41.7	Very low	52.2	Low	98 Å²	98	85.3 Å²	85.3	69%	0.685	47%	0.473	S	S	*	.			trans	-79	14.2	-175.5	58.7	0	0	0	0	115.6	N241	N241-S243 VanDerWaalsContact C-N 3.33Å; N241-S243 PolarHBondContact O-N 3.38Å
244	N	33.5	Very low	53.4	Low	139 Å²	139	80.6 Å²	80.6	74%	0.743	45%	0.451	S	S	*	.			trans	-110.6	98.7	-178.9	-70.8	-12.6	0	0	0	109.6	N242	N242-N244 PolarHBondContact O-N 3.04Å; N242-N244 VanDerWaalsContact O-N 3.17Å
245	N	35.1	Very low	54.7	Low	148 Å²	148	74.2 Å²	74.2	79%	0.791	42%	0.424	S	S	*	.			trans	166.3	125.4	142.6	-82.8	-23.2	0	0	0	112.7	T250	N245-T250 VanDerWaalsContact O-CG2 3.29Å; N245-T250 WeakPolarHBondContact O-CG2 3.15Å
246	G	32.6	Very low	55.9	Low	65 Å²	65	75.4 Å²	75.4	67%	0.67	43%	0.432	S	S	*	.			trans	79.1	135.1	145.9	0	0	0	0	0	118.8	N248	G246-N248 PolarHBondContact O-N 3.23Å
247	S	39	Very low	57.2	Low	128 Å²	128	76.4 Å²	76.4	90%	0.895	44%	0.442	S	S	*	.	S	Bend	trans	-72.5	18.1	-175.6	55.1	0	0	0	0	116.9
248	N	40.9	Very low	58.5	Low	141 Å²	141	72 Å²	72	75%	0.754	42%	0.419	S	S	*	.	S	Bend	trans	-105.3	120.6	171.3	-75.1	-12.7	0	0	0	107.2	G246 T250	G246-N248 PolarHBondContact O-N 3.23Å; N248-T250 PolarHBondContact O-N 3.34Å
249	I	47.8	Very low	59.8	Low	101 Å²	101	66.8 Å²	66.8	52%	0.518	40%	0.396	S	S	.	.			trans	-19.6	96.6	180	-57.4	176.7	0	0	0	110.5	D251 W280	I249-D251 PolarHBondContact O-N 3.35Å; I249-W280 HydrophobicContact CD1-CH2 3.66Å; I249-W280 HydrophobicContact CD1-CZ2 4.44Å; I249-W280 HydrophobicContact CD1-CZ3 4.3Å; I249-W280 HydrophobicContact CG2-CH2 4.5Å
250	T	52	Low	61.2	Low	52 Å²	52	70.4 Å²	70.4	32%	0.319	41%	0.408	S	S	.	.			trans	-74.5	123	-177.9	48.4	0	0	0	0	106.7	N245 N248 H252 N253	N245-T250 VanDerWaalsContact O-CG2 3.29Å; N245-T250 WeakPolarHBondContact O-CG2 3.15Å; N248-T250 PolarHBondContact O-N 3.34Å; T250-H252 PolarHBondContact O-N 3.12Å; T250-N253 PolarHBondContact O-N 3.09Å
251	D	56.2	Low	62.8	Low	23 Å²	23	69.5 Å²	69.5	12%	0.123	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-48.8	-21	177.6	-72.2	-52.7	0	0	0	112.6	I249 N253 L254 L259 Y263 R271	I249-D251 PolarHBondContact O-N 3.35Å; D251-N253 PolarHBondContact O-N 3.5Å; D251-L254 HydrophobicContact CB-CD1 4.08Å; D251-L254 WeakPolarHBondContact O-CB 3.15Å; D251-L254 WeakPolarHBondContact O-CG 3Å; D251-L254 PolarHBondContact O-N 3.39Å; D251-L254 WeakPolarHBondContact OD1-CD1 3.42Å; D251-L259 WeakPolarHBondContact O-CD2 3.16Å; D251-Y263 HydrophobicContact CB-CE2 4.39Å; D251-Y263 WeakPolarHBondContact CB-OH 3.07Å; D251-Y263 PolarHBondContact OD2-OH 2.7Å; D251-R271 WeakPolarHBondContact OD2-CB 2.82Å
252	H	60.5	Low	64.7	Low	49 Å²	49	63.9 Å²	63.9	23%	0.227	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-51.5	-22.9	179.6	-60.3	-45.4	0	0	0	115.9	N239 N242 T250	N239-H252 PolarHBondContact O-CE1 3.36Å; N239-H252 PolarHBondContact O-ND1 3.26Å; N242-H252 PolarHBondContact O-NE2 3.08Å; T250-H252 PolarHBondContact O-N 3.12Å
253	N	76	Confident	66.6	Low	87 Å²	87	59.8 Å²	59.8	47%	0.465	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-99.3	-0.2	178.3	-62.9	-23.3	0	0	0	114.5	T250 D251 Q474 Q475	T250-N253 PolarHBondContact O-N 3.09Å; D251-N253 PolarHBondContact O-N 3.5Å; N253-Q474 CarbonylContact O-C 3.47Å; N253-Q474 VanDerWaalsContact O-C 3.31Å; N253-Q474 WeakPolarHBondContact O-CA 2.95Å; N253-Q474 PolarHBondContact O-OE1 2.95Å; N253-Q475 PolarHBondContact O-N 3.39Å
254	L	86.9	Confident	68.6	Low	3 Å²	3	56 Å²	56	2%	0.016	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-63.8	151.9	-178.1	-69.7	173.8	0	0	0	112.5	D251 I258 L259 L262 L272 V472 P473	D251-L254 HydrophobicContact CB-CD1 4.08Å; D251-L254 WeakPolarHBondContact O-CB 3.15Å; D251-L254 WeakPolarHBondContact O-CG 3Å; D251-L254 PolarHBondContact O-N 3.39Å; D251-L254 WeakPolarHBondContact OD1-CD1 3.42Å; L254-I258 HydrophobicContact CD1-CG2 4.26Å; L254-L259 HydrophobicContact CB-CD1 4.26Å; L254-L259 HydrophobicContact CB-CD2 3.85Å; L254-L259 HydrophobicContact CB-CG 3.66Å; L254-L259 HydrophobicContact CD1-CD2 4.14Å; L254-L259 WeakPolarHBondContact O-CD1 3.11Å; L254-L262 HydrophobicContact CD1-CD1 4.33Å; L254-L272 HydrophobicContact CD1-CB 4.32Å; L254-L272 HydrophobicContact CD1-CD2 4.37Å; L254-L272 HydrophobicContact CD2-CD2 3.98Å; L254-V472 HydrophobicContact CD2-CB 4.39Å; L254-V472 HydrophobicContact CD2-CG1 4.06Å; L254-V472 HydrophobicContact CD2-CG2 3.4Å; L254-P473 CarbonylContact C-O 3.57Å
255	H	89.1	Confident	70.9	Confident	13 Å²	13	52 Å²	52	6%	0.06	30%	0.299	C	S	.	.			trans	-56.4	139.9	175.1	-174.4	-92.4	0	0	0	111.5	S257 I258 L259 P473 W477 D479 T482	H255-S257 PolarHBondContact CE1-OG 3.03Å; H255-S257 WeakPolarHBondContact ND1-CB 3.37Å; H255-S257 PolarHBondContact ND1-N 2.97Å; H255-S257 PolarHBondContact ND1-OG 2.76Å; H255-S257 PolarHBondContact O-N 3.5Å; H255-S257 VanDerWaalsContact O-N 3.12Å; H255-I258 HydrophobicContact CB-CD1 4.45Å; H255-I258 PolarHBondContact O-N 2.99Å; H255-L259 PolarHBondContact O-N 3.33Å; H255-P473 HydrophobicContact CB-CB 3.77Å; H255-P473 PolarHBondContact N-O 3.27Å; H255-W477 PolarHBondContact CD2-O 3.07Å; H255-W477 VanDerWaalsContact CD2-O 3.28Å; H255-W477 PolarHBondContact NE2-O 3Å; H255-W477 VanDerWaalsContact NE2-O 3.15Å; H255-D479 IonicContact CE1-OD1 2.77Å; H255-T482 HydrophobicContact CB-CG2 4.26Å; H255-T482 WeakPolarHBondContact ND1-CG2 3.49Å
256	P	86.3	Confident	73	Confident	45 Å²	45	48.3 Å²	48.3	29%	0.292	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-32.3	-174	-26.7	36.8	0	0	0	114.4	R260 Q475	P256-R260 WeakPolarHBondContact O-CB 3.43Å; P256-R260 PolarHBondContact O-N 3.42Å; P256-Q475 HydrophobicContact CG-CG 4.16Å
257	S	85.5	Confident	75.6	Confident	41 Å²	41	49.7 Å²	49.7	29%	0.287	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-40.5	175.6	-55.4	0	0	0	0	112.1	H255 S261 D479	H255-S257 PolarHBondContact CE1-OG 3.03Å; H255-S257 WeakPolarHBondContact ND1-CB 3.37Å; H255-S257 PolarHBondContact ND1-N 2.97Å; H255-S257 PolarHBondContact ND1-OG 2.76Å; H255-S257 PolarHBondContact O-N 3.5Å; H255-S257 VanDerWaalsContact O-N 3.12Å; S257-S261 PolarHBondContact O-OG 2.8Å; S257-D479 PolarHBondContact OG-OD1 2.86Å
258	I	90.3	Very high	78	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.2	-47.5	177	-65.5	174.2	0	0	0	109.8	L254 H255 R260 S261 L262 P473 T482 P601 V602	L254-I258 HydrophobicContact CD1-CG2 4.26Å; H255-I258 HydrophobicContact CB-CD1 4.45Å; H255-I258 PolarHBondContact O-N 2.99Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 2.96Å; I258-S261 PolarHBondContact O-N 2.92Å; I258-S261 VanDerWaalsContact O-N 3.16Å; I258-L262 HydrophobicContact CG2-CD1 3.98Å; I258-L262 PolarHBondContact O-N 3.06Å; I258-P473 HydrophobicContact CD1-CB 4.11Å; I258-P473 HydrophobicContact CD1-CG 3.99Å; I258-T482 HydrophobicContact CG1-CG2 4.47Å; I258-P601 HydrophobicContact CG1-CB 4.13Å; I258-V602 HydrophobicContact CB-CG2 4.33Å; I258-V602 HydrophobicContact CG1-CG2 4.4Å; I258-V602 HydrophobicContact CG2-CG2 4.03Å
259	L	88.9	Confident	80.6	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-55.5	-47.3	177.1	-79.5	175.2	0	0	0	111.9	I236 D251 L254 H255 S261 L262 Y263	I236-L259 HydrophobicContact CG2-CD1 4.5Å; D251-L259 WeakPolarHBondContact O-CD2 3.16Å; L254-L259 HydrophobicContact CB-CD1 4.26Å; L254-L259 HydrophobicContact CB-CD2 3.85Å; L254-L259 HydrophobicContact CB-CG 3.66Å; L254-L259 HydrophobicContact CD1-CD2 4.14Å; L254-L259 WeakPolarHBondContact O-CD1 3.11Å; H255-L259 PolarHBondContact O-N 3.33Å; L259-S261 PolarHBondContact O-N 2.69Å; L259-L262 PolarHBondContact O-N 3.1Å; L259-Y263 HydrophobicContact CD2-CD2 3.88Å; L259-Y263 HydrophobicContact CD2-CE2 3.5Å; L259-Y263 VanDerWaalsContact CD2-CE2 3.5Å; L259-Y263 WeakPolarHBondContact O-CB 3.4Å; L259-Y263 VanDerWaalsContact O-CD2 3.26Å; L259-Y263 WeakPolarHBondContact O-CD2 3.23Å; L259-Y263 PolarHBondContact O-N 2.88Å
260	R	87.1	Confident	82.9	Confident	99 Å²	99	32.7 Å²	32.7	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-57.6	-35.6	-179.1	-179.6	179.5	-71	-178.6	-4	112.4	H229 T232 I236 P256 I258	H229-R260 PolarHBondContact CE1-NH1 3.38Å; H229-R260 VanDerWaalsContact CE1-NH1 3.29Å; T232-R260 HydrophobicContact CG2-CG 4.14Å; I236-R260 HydrophobicContact CD1-CB 4.23Å; P256-R260 WeakPolarHBondContact O-CB 3.43Å; P256-R260 PolarHBondContact O-N 3.42Å; I258-R260 VanDerWaalsContact C-N 3.33Å; I258-R260 PolarHBondContact O-N 2.96Å
261	S	91.2	Very high	84.9	Confident	6 Å²	6	33.6 Å²	33.6	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-76.9	-33.3	-179.5	-69.3	0	0	0	0	113.3	S257 I258 L259 I295 L296 D297	S257-S261 PolarHBondContact O-OG 2.8Å; I258-S261 PolarHBondContact O-N 2.92Å; I258-S261 VanDerWaalsContact O-N 3.16Å; L259-S261 PolarHBondContact O-N 2.69Å; S261-I295 WeakPolarHBondContact O-CA 3.46Å; S261-I295 WeakPolarHBondContact O-CG2 3.28Å; S261-L296 VanDerWaalsContact CA-O 3.31Å; S261-L296 WeakPolarHBondContact CA-O 3.49Å; S261-L296 VanDerWaalsContact CB-O 3.27Å; S261-L296 WeakPolarHBondContact CB-O 3.43Å; S261-L296 PolarHBondContact O-N 3.25Å; S261-L296 PolarHBondContact OG-O 2.82Å; S261-D297 PolarHBondContact OG-OD1 2.84Å
262	L	91.3	Very high	86.7	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-81.7	-31.9	177.4	-64.6	172.2	0	0	0	113	L254 I258 L259 L264 V270 L272 I282 I295 V602	L254-L262 HydrophobicContact CD1-CD1 4.33Å; I258-L262 HydrophobicContact CG2-CD1 3.98Å; I258-L262 PolarHBondContact O-N 3.06Å; L259-L262 PolarHBondContact O-N 3.1Å; L262-L264 PolarHBondContact O-N 3.45Å; L262-V270 HydrophobicContact CD2-CG2 4.01Å; L262-L272 HydrophobicContact CD1-CB 4.12Å; L262-I282 HydrophobicContact CD2-CD1 4.03Å; L262-I295 HydrophobicContact CD2-CD1 4.19Å; L262-I295 HydrophobicContact CD2-CG1 4.31Å; L262-V602 HydrophobicContact CD2-CG1 3.64Å; L262-V602 HydrophobicContact CG-CG1 4.17Å
263	Y	87.1	Confident	88.2	Confident	11 Å²	11	32.6 Å²	32.6	4%	0.043	17%	0.17	C	C	.	.			trans	-98.1	55	-170.8	-72.9	-117	0	0	0	112.8	I235 N239 D251 L259 Q265 P268	I235-Y263 HydrophobicContact CG2-CD1 4.17Å; N239-Y263 HydrophobicContact CB-CE1 4.39Å; N239-Y263 WeakPolarHBondContact ND2-CD1 3.5Å; N239-Y263 WeakPolarHBondContact ND2-CE1 3.25Å; D251-Y263 HydrophobicContact CB-CE2 4.39Å; D251-Y263 WeakPolarHBondContact CB-OH 3.07Å; D251-Y263 PolarHBondContact OD2-OH 2.7Å; L259-Y263 HydrophobicContact CD2-CD2 3.88Å; L259-Y263 HydrophobicContact CD2-CE2 3.5Å; L259-Y263 VanDerWaalsContact CD2-CE2 3.5Å; L259-Y263 WeakPolarHBondContact O-CB 3.4Å; L259-Y263 VanDerWaalsContact O-CD2 3.26Å; L259-Y263 WeakPolarHBondContact O-CD2 3.23Å; L259-Y263 PolarHBondContact O-N 2.88Å; Y263-Q265 VanDerWaalsContact C-N 3.26Å; Y263-P268 HydrophobicContact CD1-CB 4.03Å; Y263-P268 HydrophobicContact CD1-CG 3.92Å; Y263-P268 HydrophobicContact CD2-CB 4.25Å; Y263-P268 HydrophobicContact CE1-CB 4.24Å; Y263-P268 HydrophobicContact CE1-CG 3.66Å; Y263-P268 HydrophobicContact CE2-CB 4.43Å; Y263-P268 HydrophobicContact CE2-CG 4.28Å; Y263-P268 HydrophobicContact CG-CB 4.04Å; Y263-P268 HydrophobicContact CG-CG 4.36Å
264	L	83	Confident	88.9	Confident	19 Å²	19	33.7 Å²	33.7	10%	0.099	17%	0.169	C	C	.	.	S	Bend	trans	-73.4	-19.5	173.1	-59.9	-173.3	0	0	0	113.9	M227 L262 L293 L296	M227-L264 WeakPolarHBondContact CE-O 3.42Å; M227-L264 VanDerWaalsContact SD-CA 3.6Å; M227-L264 HydrophobicContact SD-CB 3.87Å; M227-L264 HydrophobicContact SD-CD2 3.6Å; M227-L264 HydrophobicContact SD-CG 4.32Å; M227-L264 VanDerWaalsContact SD-O 3.34Å; L262-L264 PolarHBondContact O-N 3.45Å; L264-L293 HydrophobicContact CD1-CD1 4.25Å; L264-L293 HydrophobicContact CD1-CD2 3.99Å; L264-L293 HydrophobicContact CD1-CG 3.74Å; L264-L296 HydrophobicContact CD1-CB 3.85Å; L264-L296 HydrophobicContact CD2-CB 3.77Å; L264-L296 HydrophobicContact CG-CB 4.38Å
265	Q	82.3	Confident	89	Confident	56 Å²	56	36 Å²	36	26%	0.262	18%	0.181	S	C	.	.	S	Bend	trans	-130.8	157.9	-178.5	-52.4	-177.9	26.6	0	0	108.4	Y263 P267 P268 E292 L293	Y263-Q265 VanDerWaalsContact C-N 3.26Å; Q265-P267 VanDerWaalsContact C-C 3.47Å; Q265-P267 CarbonylContact C-O 3.54Å; Q265-P267 VanDerWaalsContact C-O 3.22Å; Q265-P267 WeakPolarHBondContact CB-O 3.16Å; Q265-P267 CarbonylContact O-C 3.56Å; Q265-P268 VanDerWaalsContact O-CA 3.26Å; Q265-P268 WeakPolarHBondContact O-CA 2.94Å; Q265-P268 VanDerWaalsContact O-N 3.1Å; Q265-E292 PolarHBondContact NE2-OE1 3.33Å; Q265-E292 PolarHBondContact OE1-OE1 2.85Å; Q265-L293 PolarHBondContact NE2-O 3.46Å; Q265-L293 VanDerWaalsContact NE2-O 3.12Å
266	D	79.9	Confident	89	Confident	70 Å²	70	42.8 Å²	42.8	37%	0.374	22%	0.218	S	C	.	.	S	Bend	trans	-121.9	111.3	170.4	-174.6	22.5	0	0	0	109.3	I235 K238	I235-D266 HydrophobicContact CD1-CB 3.88Å; I235-D266 HydrophobicContact CG1-CB 3.82Å; I235-D266 HydrophobicContact CG2-CB 3.96Å; K238-D266 IonicContact NZ-OD2 3.32Å; K238-D266 PolarHBondContact NZ-OD2 2.75Å
267	P	86	Confident	89.1	Confident	93 Å²	93	47.4 Å²	47.4	60%	0.604	24%	0.236	S	C	*	.	S	Bend	cis	-67.3	158.3	-3.6	30.5	-35.6	0	0	0	112.3	Q265	Q265-P267 VanDerWaalsContact C-C 3.47Å; Q265-P267 CarbonylContact C-O 3.54Å; Q265-P267 VanDerWaalsContact C-O 3.22Å; Q265-P267 WeakPolarHBondContact CB-O 3.16Å; Q265-P267 CarbonylContact O-C 3.56Å
268	P	90.8	Very high	89.2	Confident	13 Å²	13	48.2 Å²	48.2	8%	0.084	23%	0.234	C	C	.	.			trans	-62.3	145.4	177	30.2	-38.3	0	0	0	109.9	Y263 Q265 V270 T285	Y263-P268 HydrophobicContact CD1-CB 4.03Å; Y263-P268 HydrophobicContact CD1-CG 3.92Å; Y263-P268 HydrophobicContact CD2-CB 4.25Å; Y263-P268 HydrophobicContact CE1-CB 4.24Å; Y263-P268 HydrophobicContact CE1-CG 3.66Å; Y263-P268 HydrophobicContact CE2-CB 4.43Å; Y263-P268 HydrophobicContact CE2-CG 4.28Å; Y263-P268 HydrophobicContact CG-CB 4.04Å; Y263-P268 HydrophobicContact CG-CG 4.36Å; Q265-P268 VanDerWaalsContact O-CA 3.26Å; Q265-P268 WeakPolarHBondContact O-CA 2.94Å; Q265-P268 VanDerWaalsContact O-N 3.1Å; P268-V270 VanDerWaalsContact C-N 3.3Å; P268-V270 WeakPolarHBondContact CB-O 2.87Å; P268-T285 WeakPolarHBondContact O-CB 3.48Å; P268-T285 PolarHBondContact O-OG1 3.32Å
269	A	94.5	Very high	89.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.245	C	C	.	.	S	Bend	trans	-75.9	-20.9	179.1	0	0	0	0	0	113.1	T285 L294	A269-T285 WeakPolarHBondContact CA-OG1 3.39Å; A269-T285 PolarHBondContact O-N 3.29Å; A269-T285 PolarHBondContact O-OG1 3.33Å; A269-T285 VanDerWaalsContact O-OG1 3.06Å; A269-L294 HydrophobicContact CB-CD2 4.03Å
270	V	95.8	Very high	89.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.4	-179.2	-63.5	0	0	0	0	110	L262 P268 I282 V283 I288 L294 I295 I638	L262-V270 HydrophobicContact CD2-CG2 4.01Å; P268-V270 VanDerWaalsContact C-N 3.3Å; P268-V270 WeakPolarHBondContact CB-O 2.87Å; V270-I282 HydrophobicContact CB-CG2 3.69Å; V270-I282 HydrophobicContact CG1-CG2 4.27Å; V270-I282 HydrophobicContact CG2-CG2 4.1Å; V270-V283 CarbonylContact C-O 3.49Å; V270-V283 WeakPolarHBondContact CA-O 3.05Å; V270-I288 HydrophobicContact CG1-CD1 4.21Å; V270-L294 HydrophobicContact CG1-CB 4.14Å; V270-L294 HydrophobicContact CG1-CD1 4.25Å; V270-I295 HydrophobicContact CG2-CD1 4.09Å; V270-I295 HydrophobicContact CG2-CG1 3.68Å; V270-I638 HydrophobicContact CG1-CD1 3.99Å; V270-I638 HydrophobicContact CG1-CG1 3.86Å
271	R	94.2	Very high	89.7	Confident	70 Å²	70	46.7 Å²	46.7	26%	0.264	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.8	174.5	64.7	177.3	-177.2	84.3	1.9	111.5	D251 N273 I282 V283 T285	D251-R271 WeakPolarHBondContact OD2-CB 2.82Å; R271-N273 PolarHBondContact NH1-OD1 2.85Å; R271-I282 WeakPolarHBondContact O-CA 3.36Å; R271-V283 HydrophobicContact CG-CG2 3.59Å; R271-V283 PolarHBondContact N-O 3.26Å; R271-V283 PolarHBondContact O-N 3.45Å; R271-T285 HydrophobicContact CB-CG2 3.84Å; R271-T285 HydrophobicContact CG-CG2 3.72Å
272	L	93.8	Very high	89.9	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	146.2	171.4	-172.1	62.6	0	0	0	109.4	L254 L262 W280 I282 V472 L605	L254-L272 HydrophobicContact CD1-CB 4.32Å; L254-L272 HydrophobicContact CD1-CD2 4.37Å; L254-L272 HydrophobicContact CD2-CD2 3.98Å; L262-L272 HydrophobicContact CD1-CB 4.12Å; L272-W280 HydrophobicContact CD1-CE3 4.05Å; L272-W280 HydrophobicContact CD2-CE3 3.76Å; L272-W280 HydrophobicContact CD2-CZ3 3.85Å; L272-W280 HydrophobicContact CG-CE3 3.71Å; L272-W280 HydrophobicContact CG-CZ3 3.98Å; L272-I282 HydrophobicContact CD1-CG1 4.32Å; L272-V472 HydrophobicContact CD2-CG2 3.67Å; L272-L605 HydrophobicContact CD1-CB 4.32Å; L272-L605 HydrophobicContact CD1-CD1 3.76Å; L272-L605 HydrophobicContact CD2-CD1 4.22Å
273	N	92.6	Very high	90.2	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.6	-179.4	-160.3	39.8	0	0	0	110.4	R271 W280 H281 V283	R271-N273 PolarHBondContact NH1-OD1 2.85Å; N273-W280 WeakPolarHBondContact O-CA 3.4Å; N273-H281 PolarHBondContact N-O 3.14Å; N273-H281 PolarHBondContact ND2-NE2 3.25Å; N273-H281 PolarHBondContact O-N 3.18Å; N273-V283 HydrophobicContact CB-CG1 4.16Å; N273-V283 HydrophobicContact CB-CG2 4.1Å
274	Y	90.1	Very high	90.7	Very high	110 Å²	110	46 Å²	46	43%	0.431	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.1	177.1	-177	-91.2	0	0	0	111.3	G279 W280	Y274-G279 WeakPolarHBondContact CA-O 3.47Å; Y274-G279 VanDerWaalsContact CD2-C 3.48Å; Y274-W280 AromaticContact CD2-CD1 3.75Å; Y274-W280 AromaticContact CD2-CD2 3.66Å; Y274-W280 HydrophobicContact CD2-CD2 3.66Å; Y274-W280 AromaticContact CD2-CE2 3.58Å; Y274-W280 HydrophobicContact CD2-CE3 4.26Å; Y274-W280 AromaticContact CD2-CG 3.79Å; Y274-W280 HydrophobicContact CD2-CG 3.79Å; Y274-W280 HydrophobicContact CD2-CZ2 4.15Å; Y274-W280 AromaticContact CD2-NE1 3.61Å; Y274-W280 AromaticContact CE2-CD1 3.97Å; Y274-W280 HydrophobicContact CE2-CG 4.43Å; Y274-W280 AromaticContact CE2-NE1 3.82Å; Y274-W280 HydrophobicContact CG-CD2 4.37Å; Y274-W280 HydrophobicContact CG-CZ2 4.47Å
275	N	90.2	Very high	91.4	Very high	52 Å²	52	46.7 Å²	46.7	28%	0.278	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	168.8	162.8	60	36.3	0	0	0	110.3	E277 F278 G279 H281	N275-E277 PolarHBondContact O-N 3.25Å; N275-E277 PolarHBondContact OD1-N 3.4Å; N275-F278 WeakPolarHBondContact OD1-CB 3.26Å; N275-F278 WeakPolarHBondContact OD1-CD2 3.15Å; N275-F278 PolarHBondContact OD1-N 2.65Å; N275-G279 PolarHBondContact N-O 3.03Å; N275-G279 WeakPolarHBondContact O-CA 3.3Å; N275-G279 PolarHBondContact O-N 2.87Å; N275-H281 PolarHBondContact ND2-CE1 2.89Å; N275-H281 VanDerWaalsContact ND2-CE1 3.32Å
276	D	88.2	Confident	92	Very high	155 Å²	155	47.1 Å²	47.1	83%	0.829	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.8	-176.1	-62.6	-24.9	0	0	0	113.4
277	E	88.4	Confident	92.8	Very high	143 Å²	143	48.7 Å²	48.7	67%	0.668	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-46.5	-176.9	-175.3	178.3	-179.2	0	0	112.3	N275	N275-E277 PolarHBondContact O-N 3.25Å; N275-E277 PolarHBondContact OD1-N 3.4Å
278	F	87.5	Confident	93.4	Very high	57 Å²	57	44.3 Å²	44.3	25%	0.25	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-9.3	-173.5	-62.4	-76.4	0	0	0	113.3	N275 H281 N607 I637 Y639	N275-F278 WeakPolarHBondContact OD1-CB 3.26Å; N275-F278 WeakPolarHBondContact OD1-CD2 3.15Å; N275-F278 PolarHBondContact OD1-N 2.65Å; F278-H281 HydrophobicContact CB-CB 4.3Å; F278-N607 PolarHBondContact O-ND2 3.14Å; F278-I637 HydrophobicContact CD1-CD1 3.98Å; F278-I637 HydrophobicContact CD2-CD1 3.67Å; F278-I637 HydrophobicContact CE1-CD1 3.98Å; F278-I637 HydrophobicContact CE2-CD1 3.67Å; F278-I637 HydrophobicContact CG-CD1 3.83Å; F278-I637 HydrophobicContact CZ-CD1 3.84Å; F278-Y639 WeakPolarHBondContact CE1-OH 3.33Å
279	G	90.1	Very high	93.7	Very high	22 Å²	22	48 Å²	48	23%	0.227	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.7	-142.4	-166.6	0	0	0	0	0	110.9	Y274 N275 H281	Y274-G279 WeakPolarHBondContact CA-O 3.47Å; Y274-G279 VanDerWaalsContact CD2-C 3.48Å; N275-G279 PolarHBondContact N-O 3.03Å; N275-G279 WeakPolarHBondContact O-CA 3.3Å; N275-G279 PolarHBondContact O-N 2.87Å; G279-H281 PolarHBondContact O-N 3.19Å; G279-H281 PolarHBondContact O-ND1 2.82Å
280	W	91.6	Very high	93.9	Very high	48 Å²	48	48.1 Å²	48.1	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.3	172.6	-68.1	99.5	0	0	0	110.5	I249 L272 N273 Y274 V472 W485 L605	I249-W280 HydrophobicContact CD1-CH2 3.66Å; I249-W280 HydrophobicContact CD1-CZ2 4.44Å; I249-W280 HydrophobicContact CD1-CZ3 4.3Å; I249-W280 HydrophobicContact CG2-CH2 4.5Å; L272-W280 HydrophobicContact CD1-CE3 4.05Å; L272-W280 HydrophobicContact CD2-CE3 3.76Å; L272-W280 HydrophobicContact CD2-CZ3 3.85Å; L272-W280 HydrophobicContact CG-CE3 3.71Å; L272-W280 HydrophobicContact CG-CZ3 3.98Å; N273-W280 WeakPolarHBondContact O-CA 3.4Å; Y274-W280 AromaticContact CD2-CD1 3.75Å; Y274-W280 AromaticContact CD2-CD2 3.66Å; Y274-W280 HydrophobicContact CD2-CD2 3.66Å; Y274-W280 AromaticContact CD2-CE2 3.58Å; Y274-W280 HydrophobicContact CD2-CE3 4.26Å; Y274-W280 AromaticContact CD2-CG 3.79Å; Y274-W280 HydrophobicContact CD2-CG 3.79Å; Y274-W280 HydrophobicContact CD2-CZ2 4.15Å; Y274-W280 AromaticContact CD2-NE1 3.61Å; Y274-W280 AromaticContact CE2-CD1 3.97Å; Y274-W280 HydrophobicContact CE2-CG 4.43Å; Y274-W280 AromaticContact CE2-NE1 3.82Å; Y274-W280 HydrophobicContact CG-CD2 4.37Å; Y274-W280 HydrophobicContact CG-CZ2 4.47Å; W280-V472 HydrophobicContact CH2-CB 3.6Å; W280-V472 HydrophobicContact CH2-CG1 3.55Å; W280-V472 HydrophobicContact CH2-CG2 4.26Å; W280-V472 HydrophobicContact CZ2-CB 3.68Å; W280-V472 HydrophobicContact CZ2-CG1 3.97Å; W280-V472 HydrophobicContact CZ3-CB 4.16Å; W280-V472 HydrophobicContact CZ3-CG1 4.28Å; W280-V472 HydrophobicContact CZ3-CG2 4.34Å; W280-W485 HydrophobicContact CB-CH2 4.46Å; W280-W485 AromaticContact CD1-CH2 3.9Å; W280-W485 AromaticContact CD1-CZ3 3.53Å; W280-W485 HydrophobicContact CD2-CH2 4.12Å; W280-W485 HydrophobicContact CD2-CZ3 4.3Å; W280-W485 AromaticContact CG-CH2 3.89Å; W280-W485 HydrophobicContact CG-CH2 3.89Å; W280-W485 HydrophobicContact CG-CZ3 4.01Å; W280-W485 AromaticContact NE1-CZ3 3.54Å; W280-L605 HydrophobicContact CB-CD2 4.44Å
281	H	94.2	Very high	93.9	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.4	-178.9	59.9	-79.3	0	0	0	110.5	N273 N275 F278 G279 V283 I637	N273-H281 PolarHBondContact N-O 3.14Å; N273-H281 PolarHBondContact ND2-NE2 3.25Å; N273-H281 PolarHBondContact O-N 3.18Å; N275-H281 PolarHBondContact ND2-CE1 2.89Å; N275-H281 VanDerWaalsContact ND2-CE1 3.32Å; F278-H281 HydrophobicContact CB-CB 4.3Å; G279-H281 PolarHBondContact O-N 3.19Å; G279-H281 PolarHBondContact O-ND1 2.82Å; H281-V283 VanDerWaalsContact CD2-CG1 3.46Å; H281-V283 WeakPolarHBondContact CD2-CG1 3.4Å; H281-I637 HydrophobicContact CB-CG2 4.46Å
282	I	96.6	Very high	94	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.6	178.5	-59.9	-178	0	0	0	109.1	L262 V270 R271 L272 I295 V602 I606 I637 I638	L262-I282 HydrophobicContact CD2-CD1 4.03Å; V270-I282 HydrophobicContact CB-CG2 3.69Å; V270-I282 HydrophobicContact CG1-CG2 4.27Å; V270-I282 HydrophobicContact CG2-CG2 4.1Å; R271-I282 WeakPolarHBondContact O-CA 3.36Å; L272-I282 HydrophobicContact CD1-CG1 4.32Å; I282-I295 HydrophobicContact CD1-CD1 3.67Å; I282-I295 HydrophobicContact CG2-CD1 4.39Å; I282-V602 HydrophobicContact CD1-CG1 3.67Å; I282-I606 HydrophobicContact CD1-CG1 3.81Å; I282-I637 WeakPolarHBondContact O-CA 3.26Å; I282-I638 HydrophobicContact CB-CB 4.16Å; I282-I638 HydrophobicContact CB-CG1 4.36Å; I282-I638 HydrophobicContact CG2-CB 4.08Å; I282-I638 HydrophobicContact CG2-CG1 3.78Å; I282-I638 PolarHBondContact O-N 3.32Å
283	V	97	Very high	94.1	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.3	177.5	-59.9	0	0	0	0	111.6	V270 R271 N273 H281 E636 I637	V270-V283 CarbonylContact C-O 3.49Å; V270-V283 WeakPolarHBondContact CA-O 3.05Å; R271-V283 HydrophobicContact CG-CG2 3.59Å; R271-V283 PolarHBondContact N-O 3.26Å; R271-V283 PolarHBondContact O-N 3.45Å; N273-V283 HydrophobicContact CB-CG1 4.16Å; N273-V283 HydrophobicContact CB-CG2 4.1Å; H281-V283 VanDerWaalsContact CD2-CG1 3.46Å; H281-V283 WeakPolarHBondContact CD2-CG1 3.4Å; V283-E636 CarbonylContact C-O 3.55Å; V283-E636 WeakPolarHBondContact CA-O 3.35Å; V283-I637 HydrophobicContact CG1-CG1 4.08Å
284	A	98	Very high	94.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.5	172	0	0	0	0	0	111.3	I288 I632 E633 N635 E636 I638	A284-I288 HydrophobicContact CB-CD1 3.63Å; A284-I288 HydrophobicContact CB-CG1 4.5Å; A284-I632 HydrophobicContact CB-CG2 3.87Å; A284-E633 WeakPolarHBondContact CB-O 3.37Å; A284-N635 WeakPolarHBondContact O-CA 3.28Å; A284-N635 PolarHBondContact O-N 2.81Å; A284-E636 PolarHBondContact N-O 3.14Å; A284-I638 HydrophobicContact CB-CD1 4.38Å
285	T	96.7	Very high	94.5	Very high	32 Å²	32	41.4 Å²	41.4	20%	0.196	21%	0.211	C	C	.	.	S	Bend	trans	-93.8	-13.9	176.6	58.8	0	0	0	0	112.9	P268 A269 R271 Q634	P268-T285 WeakPolarHBondContact O-CB 3.48Å; P268-T285 PolarHBondContact O-OG1 3.32Å; A269-T285 WeakPolarHBondContact CA-OG1 3.39Å; A269-T285 PolarHBondContact O-N 3.29Å; A269-T285 PolarHBondContact O-OG1 3.33Å; A269-T285 VanDerWaalsContact O-OG1 3.06Å; R271-T285 HydrophobicContact CB-CG2 3.84Å; R271-T285 HydrophobicContact CG-CG2 3.72Å; T285-Q634 WeakPolarHBondContact O-CG 3.34Å; T285-Q634 PolarHBondContact O-NE2 3.18Å
286	K	96.2	Very high	94.6	Very high	65 Å²	65	40 Å²	40	28%	0.283	20%	0.204	S	C	.	.	S	Bend	trans	-147.2	169.7	-179.6	64	176.6	-171.9	178.8	0	108.9	I288 E292	K286-I288 HydrophobicContact CG-CG1 4.43Å; K286-I288 PolarHBondContact O-N 2.71Å; K286-E292 VanDerWaalsContact CE-OE1 3.26Å; K286-E292 WeakPolarHBondContact CE-OE1 3.44Å; K286-E292 IonicContact NZ-OE1 2.74Å; K286-E292 PolarHBondContact NZ-OE1 3Å
287	N	97.3	Very high	94.9	Very high	104 Å²	104	32.7 Å²	32.7	56%	0.556	17%	0.165	S	C	*	.			trans	-65.8	129.4	166.7	-64.3	-25.1	0	0	0	109.6	I632 Q634	N287-I632 WeakPolarHBondContact CA-O 3.4Å; N287-Q634 PolarHBondContact OD1-N 3.33Å
288	I	97.7	Very high	95.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-111.6	135.3	-176.8	-69.5	161.7	0	0	0	108.9	V270 A284 K286 E292 L294 P631 I632 I638	V270-I288 HydrophobicContact CG1-CD1 4.21Å; A284-I288 HydrophobicContact CB-CD1 3.63Å; A284-I288 HydrophobicContact CB-CG1 4.5Å; K286-I288 HydrophobicContact CG-CG1 4.43Å; K286-I288 PolarHBondContact O-N 2.71Å; I288-E292 HydrophobicContact CG2-CB 4.09Å; I288-L294 HydrophobicContact CD1-CD1 4.06Å; I288-L294 HydrophobicContact CD1-CD2 3.79Å; I288-L294 HydrophobicContact CG1-CD2 4.08Å; I288-L294 HydrophobicContact CG2-CD1 4.37Å; I288-L294 HydrophobicContact CG2-CD2 3.75Å; I288-P631 WeakPolarHBondContact O-CA 3.22Å; I288-I632 HydrophobicContact CB-CB 4.11Å; I288-I632 HydrophobicContact CD1-CB 4.47Å; I288-I632 HydrophobicContact CG2-CD1 4.39Å; I288-I632 PolarHBondContact N-O 3.2Å; I288-I632 PolarHBondContact O-N 3.43Å; I288-I632 VanDerWaalsContact O-N 3.07Å; I288-I638 HydrophobicContact CD1-CD1 4.37Å
289	Q	97.2	Very high	95.4	Very high	90 Å²	90	26.9 Å²	26.9	42%	0.421	14%	0.137	S	C	.	.			trans	-89.3	153	175.7	-64.7	-59.6	-34.4	0	0	110.8	E292 S628	Q289-E292 WeakPolarHBondContact O-CB 3.38Å; Q289-E292 PolarHBondContact O-N 3.35Å; Q289-S628 PolarHBondContact O-OG 3.39Å
290	P	97.7	Very high	95.5	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.019	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	141.9	173.2	-18.5	26.4	0	0	0	112.1	E292 P631 K780 L783	P290-E292 VanDerWaalsContact C-N 3.31Å; P290-E292 PolarHBondContact O-N 3.39Å; P290-P631 HydrophobicContact CG-CG 3.94Å; P290-K780 WeakPolarHBondContact O-CE 2.95Å; P290-L783 HydrophobicContact CB-CB 3.87Å; P290-L783 HydrophobicContact CG-CB 3.82Å; P290-L783 WeakPolarHBondContact CG-O 3.34Å
291	G	96.9	Very high	95.6	Very high	7 Å²	7	24 Å²	24	7%	0.072	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	23.5	179.5	0	0	0	0	0	114.4	S628 K780	G291-S628 VanDerWaalsContact CA-O 3.32Å; G291-S628 WeakPolarHBondContact CA-O 3.05Å; G291-S628 PolarHBondContact N-O 3.43Å; G291-S628 PolarHBondContact N-OG 3.14Å; G291-S628 VanDerWaalsContact N-OG 3.1Å; G291-K780 PolarHBondContact O-NZ 3.33Å
292	E	96.2	Very high	95.7	Very high	35 Å²	35	23.9 Å²	23.9	16%	0.164	12%	0.119	C	C	.	.			trans	-85.2	138	169.3	-172.2	175.6	174.1	0	0	109.7	Q265 K286 I288 Q289 P290 L294 Y627 S628	Q265-E292 PolarHBondContact NE2-OE1 3.33Å; Q265-E292 PolarHBondContact OE1-OE1 2.85Å; K286-E292 VanDerWaalsContact CE-OE1 3.26Å; K286-E292 WeakPolarHBondContact CE-OE1 3.44Å; K286-E292 IonicContact NZ-OE1 2.74Å; K286-E292 PolarHBondContact NZ-OE1 3Å; I288-E292 HydrophobicContact CG2-CB 4.09Å; Q289-E292 WeakPolarHBondContact O-CB 3.38Å; Q289-E292 PolarHBondContact O-N 3.35Å; P290-E292 VanDerWaalsContact C-N 3.31Å; P290-E292 PolarHBondContact O-N 3.39Å; E292-L294 HydrophobicContact CB-CD2 4.16Å; E292-L294 HydrophobicContact CG-CD2 4.01Å; E292-Y627 VanDerWaalsContact O-CA 3.28Å; E292-Y627 WeakPolarHBondContact O-CA 3.37Å; E292-S628 PolarHBondContact N-OG 3.09Å; E292-S628 PolarHBondContact O-N 2.89Å; E292-S628 VanDerWaalsContact O-N 3.1Å
293	L	95	Very high	95.5	Very high	46 Å²	46	24.1 Å²	24.1	24%	0.241	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120	173.7	175.1	63	0	0	0	109.7	L225 L264 Q265 A625 Y627	L225-L293 HydrophobicContact CD1-CD2 4.23Å; L264-L293 HydrophobicContact CD1-CD1 4.25Å; L264-L293 HydrophobicContact CD1-CD2 3.99Å; L264-L293 HydrophobicContact CD1-CG 3.74Å; Q265-L293 PolarHBondContact NE2-O 3.46Å; Q265-L293 VanDerWaalsContact NE2-O 3.12Å; L293-A625 HydrophobicContact CD1-CB 3.7Å; L293-Y627 HydrophobicContact CB-CD1 4.15Å; L293-Y627 HydrophobicContact CB-CE1 3.73Å; L293-Y627 HydrophobicContact CD1-CD2 4.39Å; L293-Y627 HydrophobicContact CD1-CE1 4.18Å; L293-Y627 HydrophobicContact CD1-CE2 3.95Å; L293-Y627 HydrophobicContact CG-CE1 4.49Å
294	L	95.9	Very high	95.4	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-48.2	-172.9	-52.8	-176	0	0	0	113	A269 V270 I288 E292 I614 I626 I632 I638	A269-L294 HydrophobicContact CB-CD2 4.03Å; V270-L294 HydrophobicContact CG1-CB 4.14Å; V270-L294 HydrophobicContact CG1-CD1 4.25Å; I288-L294 HydrophobicContact CD1-CD1 4.06Å; I288-L294 HydrophobicContact CD1-CD2 3.79Å; I288-L294 HydrophobicContact CG1-CD2 4.08Å; I288-L294 HydrophobicContact CG2-CD1 4.37Å; I288-L294 HydrophobicContact CG2-CD2 3.75Å; E292-L294 HydrophobicContact CB-CD2 4.16Å; E292-L294 HydrophobicContact CG-CD2 4.01Å; L294-I614 HydrophobicContact CD1-CG2 3.83Å; L294-I626 PolarHBondContact N-O 3.02Å; L294-I632 HydrophobicContact CD1-CD1 4.42Å; L294-I638 HydrophobicContact CD1-CD1 4.25Å
295	I	95.2	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.4	-174.9	-58.2	169.5	0	0	0	108.7	S261 L262 V270 I282 D297 V602 I606 A625 I626	S261-I295 WeakPolarHBondContact O-CA 3.46Å; S261-I295 WeakPolarHBondContact O-CG2 3.28Å; L262-I295 HydrophobicContact CD2-CD1 4.19Å; L262-I295 HydrophobicContact CD2-CG1 4.31Å; V270-I295 HydrophobicContact CG2-CD1 4.09Å; V270-I295 HydrophobicContact CG2-CG1 3.68Å; I282-I295 HydrophobicContact CD1-CD1 3.67Å; I282-I295 HydrophobicContact CG2-CD1 4.39Å; I295-D297 HydrophobicContact CG2-CB 4.23Å; I295-V602 HydrophobicContact CD1-CG1 4.19Å; I295-V602 HydrophobicContact CG2-CG1 4.02Å; I295-I606 HydrophobicContact CD1-CD1 4.24Å; I295-A625 CarbonylContact O-C 3.19Å; I295-A625 WeakPolarHBondContact O-CA 3.4Å; I295-I626 HydrophobicContact CB-CB 3.9Å; I295-I626 HydrophobicContact CB-CG1 3.86Å; I295-I626 HydrophobicContact CD1-CG1 4.44Å; I295-I626 HydrophobicContact CG1-CB 4.49Å; I295-I626 HydrophobicContact CG2-CG1 4.34Å; I295-I626 PolarHBondContact O-N 3.15Å
296	L	93.6	Very high	94.9	Very high	22 Å²	22	27.5 Å²	27.5	12%	0.115	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	102.7	167.3	179.9	66.1	0	0	0	107.1	L225 S261 L264 I619 Q623 A625	L225-L296 HydrophobicContact CB-CD2 4.21Å; L225-L296 HydrophobicContact CD1-CD1 4.39Å; S261-L296 VanDerWaalsContact CA-O 3.31Å; S261-L296 WeakPolarHBondContact CA-O 3.49Å; S261-L296 VanDerWaalsContact CB-O 3.27Å; S261-L296 WeakPolarHBondContact CB-O 3.43Å; S261-L296 PolarHBondContact O-N 3.25Å; S261-L296 PolarHBondContact OG-O 2.82Å; L264-L296 HydrophobicContact CD1-CB 3.85Å; L264-L296 HydrophobicContact CD2-CB 3.77Å; L264-L296 HydrophobicContact CG-CB 4.38Å; L296-I619 HydrophobicContact CD1-CG1 4.24Å; L296-Q623 HydrophobicContact CD1-CB 4.28Å; L296-A625 HydrophobicContact CD1-CB 4.21Å
297	D	93.9	Very high	94.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	147	-175.5	-157.2	1.5	0	0	0	111.7	S261 I295 Y600 V602 L603 Q623 C624	S261-D297 PolarHBondContact OG-OD1 2.84Å; I295-D297 HydrophobicContact CG2-CB 4.23Å; D297-Y600 HydrophobicContact CB-CD1 4.08Å; D297-Y600 WeakPolarHBondContact OD2-CB 3.42Å; D297-V602 VanDerWaalsContact OD2-CA 3.28Å; D297-V602 WeakPolarHBondContact OD2-CA 3.2Å; D297-V602 VanDerWaalsContact OD2-CB 3.26Å; D297-V602 WeakPolarHBondContact OD2-CB 3.47Å; D297-V602 PolarHBondContact OD2-N 2.85Å; D297-L603 HydrophobicContact CB-CD1 3.35Å; D297-L603 PolarHBondContact OD2-N 3.36Å; D297-Q623 WeakPolarHBondContact O-CA 3.13Å; D297-C624 PolarHBondContact N-O 2.9Å; D297-C624 PolarHBondContact O-N 2.77Å
298	K	92.1	Very high	94.3	Very high	75 Å²	75	23.5 Å²	23.5	33%	0.326	12%	0.116	S	C	.	.			trans	-117.1	128	-179.2	-174.1	174.6	-178.1	170.7	0	108	D362 S364 P601 Q623	K298-D362 WeakPolarHBondContact CE-OD1 3.32Å; K298-D362 WeakPolarHBondContact CE-OD2 3.48Å; K298-D362 IonicContact NZ-OD1 3.88Å; K298-D362 PolarHBondContact NZ-OD1 2.86Å; K298-D362 IonicContact NZ-OD2 2.68Å; K298-D362 PolarHBondContact NZ-OD2 2.86Å; K298-S364 WeakPolarHBondContact CE-OG 3.32Å; K298-P601 WeakPolarHBondContact O-CD 3.4Å; K298-Q623 HydrophobicContact CB-CG 4.47Å; K298-Q623 HydrophobicContact CG-CG 4.38Å
299	P	94.1	Very high	93.9	Very high	3 Å²	3	24 Å²	24	2%	0.019	12%	0.119	C	C	.	.			trans	-67.4	145.2	-177	27.6	-29.8	0	0	0	109.4	S301 C302 S364 C598 L599 Y600 F622	P299-S301 VanDerWaalsContact C-N 3.31Å; P299-C302 WeakPolarHBondContact CB-SG 3.23Å; P299-C302 WeakPolarHBondContact CG-SG 3.3Å; P299-S364 WeakPolarHBondContact O-CB 3.38Å; P299-C598 HydrophobicContact CB-CB 4.11Å; P299-L599 CarbonylContact C-O 3.18Å; P299-L599 WeakPolarHBondContact CA-O 3.34Å; P299-Y600 HydrophobicContact CB-CD1 3.85Å; P299-Y600 HydrophobicContact CB-CE1 3.59Å; P299-Y600 HydrophobicContact CB-CE2 4.41Å; P299-Y600 HydrophobicContact CB-CG 4.33Å; P299-Y600 VanDerWaalsContact CD-CE1 3.49Å; P299-Y600 HydrophobicContact CG-CE1 3.89Å; P299-F622 WeakPolarHBondContact CD-O 3.45Å; P299-F622 HydrophobicContact CG-CB 3.92Å; P299-F622 WeakPolarHBondContact CG-O 3.44Å
300	Y	93	Very high	93.4	Very high	10 Å²	10	20.7 Å²	20.7	4%	0.039	10%	0.104	C	C	.	.	S	Bend	trans	-67.8	-39.7	165.9	-176.1	-91.3	0	0	0	109.6	L429 K432 T433 D479 Y480 V483 L599	Y300-L429 HydrophobicContact CD1-CD2 3.42Å; Y300-L429 VanDerWaalsContact CD1-CD2 3.42Å; Y300-L429 HydrophobicContact CE1-CD2 3.99Å; Y300-L429 HydrophobicContact CG-CD2 4.49Å; Y300-K432 HydrophobicContact CE1-CD 4.42Å; Y300-K432 WeakPolarHBondContact O-CD 3.48Å; Y300-K432 WeakPolarHBondContact O-CE 3.29Å; Y300-K432 PolarHBondContact O-NZ 3.16Å; Y300-T433 PolarHBondContact OH-OG1 3.44Å; Y300-D479 WeakPolarHBondContact CE2-OD2 3.43Å; Y300-Y480 HydrophobicContact CE1-CD2 4.13Å; Y300-Y480 AromaticContact CZ-CD2 3.87Å; Y300-V483 HydrophobicContact CD1-CG2 3.76Å; Y300-V483 HydrophobicContact CD2-CG2 4.16Å; Y300-V483 HydrophobicContact CE1-CG2 4.24Å; Y300-V483 HydrophobicContact CG-CG1 4.09Å; Y300-V483 HydrophobicContact CG-CG2 3.7Å; Y300-L599 PolarHBondContact N-O 3.1Å
301	S	93.6	Very high	93	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.1	171.2	-166.5	0	0	0	0	110.8	P299 R303 C598 L599	P299-S301 VanDerWaalsContact C-N 3.31Å; S301-R303 PolarHBondContact OG-NH1 3.45Å; S301-C598 WeakPolarHBondContact O-CA 3.36Å; S301-L599 PolarHBondContact O-N 3.15Å
302	C	94.8	Very high	92.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	151.8	177.6	-72.3	0	0	0	0	110.8	P299 P366 T597 C598 F622	P299-C302 WeakPolarHBondContact CB-SG 3.23Å; P299-C302 WeakPolarHBondContact CG-SG 3.3Å; C302-P366 WeakPolarHBondContact O-CG 3.45Å; C302-T597 CarbonylContact C-O 3.52Å; C302-T597 WeakPolarHBondContact CA-O 3.3Å; C302-C598 HydrophobicContact CB-CB 4.13Å; C302-C598 WeakPolarHBondContact CB-SG 3.34Å; C302-C598 WeakPolarHBondContact SG-CB 3.12Å; C302-C598 CovalentContact SG-SG 2.02Å; C302-C598 PolarHBondContact SG-SG 3.35Å; C302-F622 HydrophobicContact CB-CB 4.33Å; C302-F622 HydrophobicContact CB-CD1 3.88Å; C302-F622 HydrophobicContact CB-CD2 4.41Å; C302-F622 HydrophobicContact CB-CE1 4.21Å; C302-F622 HydrophobicContact CB-CG 3.99Å; C302-F622 VanDerWaalsContact SG-CB 3.51Å
303	R	94.4	Very high	92.8	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.019	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.2	165.9	-71.4	-63.2	177.6	-85	2.6	110.8	S301 Y314 C367 E371 W424 A428 S596 T597	S301-R303 PolarHBondContact OG-NH1 3.45Å; R303-Y314 PolarHBondContact NE-OH 3.18Å; R303-C367 PolarHBondContact NH2-O 3.06Å; R303-C367 VanDerWaalsContact NH2-O 3.17Å; R303-E371 IonicContact CZ-OE1 3.03Å; R303-E371 IonicContact NE-OE1 3.23Å; R303-E371 PolarHBondContact NE-OE1 3.2Å; R303-E371 IonicContact NE-OE2 3.46Å; R303-E371 PolarHBondContact NE-OE2 3.31Å; R303-E371 IonicContact NH2-OE1 3.52Å; R303-E371 PolarHBondContact NH2-OE1 3.11Å; R303-W424 HydrophobicContact CB-CD2 4.18Å; R303-W424 HydrophobicContact CB-CE3 4.48Å; R303-W424 HydrophobicContact CB-CG 4.33Å; R303-W424 HydrophobicContact CG-CD2 4.19Å; R303-W424 HydrophobicContact CG-CG 4.06Å; R303-A428 HydrophobicContact CG-CB 3.84Å; R303-S596 CarbonylContact O-C 3.31Å; R303-S596 WeakPolarHBondContact O-CA 3.34Å; R303-S596 WeakPolarHBondContact O-CB 3.41Å; R303-T597 PolarHBondContact N-O 2.77Å; R303-T597 PolarHBondContact O-N 3.28Å
304	L	94.4	Very high	92.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	144.2	170.3	-70.8	179.4	0	0	0	109.4	L309 N312 W424 I595 F622	L304-L309 HydrophobicContact CB-CD2 4.2Å; L304-L309 HydrophobicContact CD1-CD2 4.44Å; L304-N312 HydrophobicContact CD1-CB 3.88Å; L304-N312 HydrophobicContact CD2-CB 4.07Å; L304-W424 WeakPolarHBondContact O-CZ3 3.36Å; L304-I595 CarbonylContact C-O 3.55Å; L304-I595 VanDerWaalsContact CA-O 3.29Å; L304-I595 WeakPolarHBondContact CA-O 3.41Å; L304-I595 WeakPolarHBondContact CD2-O 3.48Å; L304-F622 HydrophobicContact CD2-CE1 4.12Å; L304-F622 HydrophobicContact CD2-CZ 4.41Å
305	H	93.7	Very high	92.7	Very high	14 Å²	14	17.7 Å²	17.7	7%	0.065	9%	0.087	C	C	.	.			trans	-65.7	148	167.7	-66.5	-173	0	0	0	109.4	S307 R308 L309 N421 E594 I595 S596 T597	H305-S307 PolarHBondContact O-N 3.25Å; H305-R308 HydrophobicContact CB-CG 4.33Å; H305-R308 WeakPolarHBondContact O-CA 3.36Å; H305-R308 WeakPolarHBondContact O-CB 3.28Å; H305-R308 PolarHBondContact O-N 3.49Å; H305-L309 PolarHBondContact O-N 2.89Å; H305-N421 PolarHBondContact CD2-ND2 3.38Å; H305-N421 PolarHBondContact CD2-OD1 3.47Å; H305-N421 VanDerWaalsContact CD2-OD1 3.27Å; H305-N421 PolarHBondContact CE1-ND2 2.89Å; H305-N421 VanDerWaalsContact CE1-ND2 3.3Å; H305-N421 PolarHBondContact NE2-ND2 2.87Å; H305-N421 VanDerWaalsContact NE2-ND2 3.13Å; H305-E594 IonicContact CE1-OE2 3.01Å; H305-E594 PolarHBondContact CE1-OE2 3.34Å; H305-I595 PolarHBondContact N-O 3.32Å; H305-S596 VanDerWaalsContact CD2-CA 3.49Å; H305-S596 WeakPolarHBondContact CD2-CA 3.44Å; H305-S596 VanDerWaalsContact NE2-C 3.31Å; H305-T597 PolarHBondContact NE2-N 3.33Å; H305-T597 PolarHBondContact NE2-OG1 3.17Å
306	Y	90.6	Very high	92.5	Very high	92 Å²	92	18.7 Å²	18.7	36%	0.361	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-62.1	-30.1	-174	73	-92.8	0	0	0	112.9	R308 L309 I379	Y306-R308 PolarHBondContact O-N 2.85Å; Y306-L309 WeakPolarHBondContact O-CB 3.47Å; Y306-L309 WeakPolarHBondContact O-CG 3.39Å; Y306-L309 PolarHBondContact O-N 3Å; Y306-I379 HydrophobicContact CD1-CG2 3.98Å; Y306-I379 HydrophobicContact CG-CD1 4.31Å; Y306-I379 HydrophobicContact CG-CG2 4.39Å
307	S	88.9	Confident	92.5	Very high	69 Å²	69	18.1 Å²	18.1	48%	0.483	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-64.8	-17.1	174.4	58.9	0	0	0	0	113.3	H305	H305-S307 PolarHBondContact O-N 3.25Å
308	R	91.1	Very high	92.4	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.06	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-101.2	-5.2	178.8	-55.5	-48.6	-56.1	-161.3	-6.8	113.6	H305 Y306 L310 L311 N312 E560 I595	H305-R308 HydrophobicContact CB-CG 4.33Å; H305-R308 WeakPolarHBondContact O-CA 3.36Å; H305-R308 WeakPolarHBondContact O-CB 3.28Å; H305-R308 PolarHBondContact O-N 3.49Å; Y306-R308 PolarHBondContact O-N 2.85Å; R308-L310 PolarHBondContact O-N 2.83Å; R308-L311 WeakPolarHBondContact O-CB 3.35Å; R308-L311 PolarHBondContact O-N 2.95Å; R308-N312 PolarHBondContact NE-OD1 2.83Å; R308-N312 PolarHBondContact NH2-OD1 3.3Å; R308-N312 PolarHBondContact O-N 2.87Å; R308-E560 IonicContact CZ-OE1 3.25Å; R308-E560 IonicContact NH1-OE1 3.93Å; R308-E560 PolarHBondContact NH1-OE1 3.27Å; R308-E560 IonicContact NH1-OE2 2.79Å; R308-E560 PolarHBondContact NH1-OE2 3.13Å; R308-E560 IonicContact NH2-OE1 3.8Å; R308-E560 PolarHBondContact NH2-OE1 3.39Å; R308-I595 HydrophobicContact CG-CB 4.01Å; R308-I595 HydrophobicContact CG-CG2 4.08Å
309	L	88.9	Confident	92.4	Very high	12 Å²	12	19 Å²	19	6%	0.063	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-61.8	135.4	171.2	-58.8	176	0	0	0	108.2	V2 L304 H305 Y306 L311 Y314 V332 V375 W424	V2-L309 HydrophobicContact CB-CD1 4.09Å; V2-L309 HydrophobicContact CG1-CD1 4.14Å; V2-L309 HydrophobicContact CG2-CD1 3.87Å; L304-L309 HydrophobicContact CB-CD2 4.2Å; L304-L309 HydrophobicContact CD1-CD2 4.44Å; H305-L309 PolarHBondContact O-N 2.89Å; Y306-L309 WeakPolarHBondContact O-CB 3.47Å; Y306-L309 WeakPolarHBondContact O-CG 3.39Å; Y306-L309 PolarHBondContact O-N 3Å; L309-L311 PolarHBondContact O-N 3.49Å; L309-Y314 HydrophobicContact CD2-CD2 4.48Å; L309-V332 HydrophobicContact CD2-CG1 4.38Å; L309-V375 HydrophobicContact CD1-CG1 3.92Å; L309-W424 HydrophobicContact CD1-CH2 3.9Å; L309-W424 HydrophobicContact CD1-CZ3 4.07Å; L309-W424 HydrophobicContact CD2-CH2 3.85Å; L309-W424 HydrophobicContact CD2-CZ3 4.36Å; L309-W424 HydrophobicContact CG-CH2 4.42Å
310	L	86.9	Confident	92.3	Very high	19 Å²	19	19.1 Å²	19.1	10%	0.099	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-15.3	-171.3	-40.1	178.8	0	0	0	115.5	M1 F103 R308 P323	M1-L310 HydrophobicContact CB-CD1 3.93Å; M1-L310 HydrophobicContact CG-CD1 3.8Å; M1-L310 HydrophobicContact SD-CD1 3.79Å; F103-L310 HydrophobicContact CD1-CD2 3.6Å; F103-L310 HydrophobicContact CE1-CD2 3.04Å; F103-L310 HydrophobicContact CE2-CD2 4.27Å; F103-L310 HydrophobicContact CG-CD2 4.41Å; F103-L310 HydrophobicContact CZ-CD2 3.43Å; F103-L310 VanDerWaalsContact CZ-CD2 3.43Å; R308-L310 PolarHBondContact O-N 2.83Å; L310-P323 WeakPolarHBondContact O-CG 3.41Å
311	L	90.6	Very high	92.4	Very high	23 Å²	23	18.8 Å²	18.8	12%	0.12	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-35.2	173.8	-68.9	178.8	0	0	0	112.2	R308 L309 R319 C320 F828	R308-L311 WeakPolarHBondContact O-CB 3.35Å; R308-L311 PolarHBondContact O-N 2.95Å; L309-L311 PolarHBondContact O-N 3.49Å; L311-R319 WeakPolarHBondContact O-CD 3.42Å; L311-R319 PolarHBondContact O-NH1 3Å; L311-C320 PolarHBondContact O-N 2.85Å; L311-F828 HydrophobicContact CD2-CB 3.35Å; L311-F828 HydrophobicContact CD2-CD1 3.84Å; L311-F828 HydrophobicContact CD2-CD2 3.77Å; L311-F828 HydrophobicContact CD2-CG 3.38Å; L311-F828 HydrophobicContact CG-CB 4.28Å
312	N	93.5	Very high	92.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-121.8	148.8	-176.8	-65.7	80.4	0	0	0	109.9	L304 R308 Y314 S317 K318	L304-N312 HydrophobicContact CD1-CB 3.88Å; L304-N312 HydrophobicContact CD2-CB 4.07Å; R308-N312 PolarHBondContact NE-OD1 2.83Å; R308-N312 PolarHBondContact NH2-OD1 3.3Å; R308-N312 PolarHBondContact O-N 2.87Å; N312-Y314 PolarHBondContact O-N 2.84Å; N312-S317 PolarHBondContact ND2-O 2.8Å; N312-K318 CarbonylContact C-O 3.43Å; N312-K318 WeakPolarHBondContact CA-O 3.39Å
313	C	95.2	Very high	92.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.			trans	-60.9	121.6	171.5	178.4	0	0	0	0	108.7	R315 C316 S317 K318 C335	C313-R315 PolarHBondContact O-N 2.83Å; C313-R315 VanDerWaalsContact O-N 3.15Å; C313-C316 PolarHBondContact O-N 3.49Å; C313-C316 PolarHBondContact SG-SG 2.86Å; C313-S317 VanDerWaalsContact O-CA 3.3Å; C313-S317 WeakPolarHBondContact O-CA 3.28Å; C313-S317 PolarHBondContact O-N 2.57Å; C313-K318 HydrophobicContact CB-CB 4.27Å; C313-K318 PolarHBondContact N-O 3.12Å; C313-C335 HydrophobicContact CB-CB 4.01Å; C313-C335 PolarHBondContact SG-N 3.34Å; C313-C335 VanDerWaalsContact SG-N 3.38Å
314	Y	94.8	Very high	92.7	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.008	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.6	179.2	176.6	-95.4	0	0	0	112.4	R303 L309 N312 V332 G333 F334 P366 C367 H368 E371 W424	R303-Y314 PolarHBondContact NE-OH 3.18Å; L309-Y314 HydrophobicContact CD2-CD2 4.48Å; N312-Y314 PolarHBondContact O-N 2.84Å; Y314-V332 HydrophobicContact CD2-CB 3.99Å; Y314-V332 HydrophobicContact CD2-CG1 3.62Å; Y314-V332 HydrophobicContact CE2-CG1 4.04Å; Y314-V332 HydrophobicContact CG-CB 3.98Å; Y314-V332 HydrophobicContact CG-CG1 4.1Å; Y314-V332 HydrophobicContact CG-CG2 4.36Å; Y314-G333 WeakPolarHBondContact CB-O 3.26Å; Y314-G333 PolarHBondContact N-O 3.29Å; Y314-F334 AromaticContact CD1-CE1 3.85Å; Y314-F334 HydrophobicContact CD1-CE1 3.85Å; Y314-F334 HydrophobicContact CD1-CZ 4.2Å; Y314-F334 HydrophobicContact CG-CE1 4.3Å; Y314-P366 HydrophobicContact CD1-CB 4.2Å; Y314-P366 HydrophobicContact CE1-CB 3.62Å; Y314-P366 WeakPolarHBondContact O-CG 3.33Å; Y314-C367 PolarHBondContact OH-O 2.88Å; Y314-H368 HydrophobicContact CD1-CB 4.18Å; Y314-H368 HydrophobicContact CE1-CB 3.63Å; Y314-E371 PolarHBondContact OH-OE2 3.42Å; Y314-W424 HydrophobicContact CE2-CH2 4.42Å; Y314-W424 AromaticContact CE2-CZ2 3.97Å; Y314-W424 HydrophobicContact CE2-CZ2 3.97Å
315	R	93.6	Very high	92.8	Very high	4 Å²	4	20 Å²	20	2%	0.015	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.7	-174.8	-178.3	62.7	179.3	-146.7	-7	114.4	C313 F334 C339 E342 A343 L365 P366 F622	C313-R315 PolarHBondContact O-N 2.83Å; C313-R315 VanDerWaalsContact O-N 3.15Å; R315-F334 HydrophobicContact CB-CD1 4.08Å; R315-F334 HydrophobicContact CB-CE1 4.22Å; R315-C339 HydrophobicContact CB-CB 4.1Å; R315-C339 HydrophobicContact CG-CB 4.36Å; R315-E342 PolarHBondContact NH1-O 3.32Å; R315-A343 HydrophobicContact CB-CB 4.43Å; R315-L365 HydrophobicContact CG-CB 4.48Å; R315-L365 HydrophobicContact CG-CD1 4.26Å; R315-L365 WeakPolarHBondContact O-CD2 3.35Å; R315-P366 WeakPolarHBondContact CD-O 3.28Å; R315-P366 PolarHBondContact NH1-O 2.96Å; R315-P366 WeakPolarHBondContact O-CD 3.46Å; R315-F622 WeakPolarHBondContact O-CE2 3.46Å
316	C	91.6	Very high	92.9	Very high	21 Å²	21	19.4 Å²	19.4	14%	0.142	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	8	-169.9	72.7	0	0	0	0	114.6	C313 K318 C335	C313-C316 PolarHBondContact O-N 3.49Å; C313-C316 PolarHBondContact SG-SG 2.86Å; C316-K318 PolarHBondContact O-N 2.9Å; C316-C335 VanDerWaalsContact SG-SG 3.64Å
317	S	92.4	Very high	93.1	Very high	11 Å²	11	20.9 Å²	20.9	8%	0.077	10%	0.104	C	C	.	.			trans	62.2	-4.4	-177.2	80.2	0	0	0	0	117.5	N312 C313 R319	N312-S317 PolarHBondContact ND2-O 2.8Å; C313-S317 VanDerWaalsContact O-CA 3.3Å; C313-S317 WeakPolarHBondContact O-CA 3.28Å; C313-S317 PolarHBondContact O-N 2.57Å; S317-R319 PolarHBondContact O-N 3.49Å
318	K	92.2	Very high	93.2	Very high	78 Å²	78	20.7 Å²	20.7	34%	0.339	10%	0.102	S	C	.	.			trans	-51.1	129.8	178.2	-177.5	176.3	-177.1	170.3	0	112.1	E221 N312 C313 C316 C320 C335	E221-K318 WeakPolarHBondContact OE1-CE 3.49Å; E221-K318 IonicContact OE1-NZ 2.76Å; E221-K318 PolarHBondContact OE1-NZ 2.78Å; E221-K318 IonicContact OE2-NZ 3.73Å; N312-K318 CarbonylContact C-O 3.43Å; N312-K318 WeakPolarHBondContact CA-O 3.39Å; C313-K318 HydrophobicContact CB-CB 4.27Å; C313-K318 PolarHBondContact N-O 3.12Å; C316-K318 PolarHBondContact O-N 2.9Å; K318-C320 PolarHBondContact O-N 2.84Å; K318-C320 PolarHBondContact O-SG 2.64Å; K318-C335 HydrophobicContact CD-CB 4.06Å
319	R	92.1	Very high	93.4	Very high	16 Å²	16	20 Å²	20	6%	0.06	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-62.2	126.4	172.8	-178.2	70.5	-175.7	87.7	10.7	110.5	Y217 V219 L311 S317 E820	Y217-R319 WeakPolarHBondContact OH-CG 3.49Å; Y217-R319 PolarHBondContact OH-O 3.38Å; V219-R319 HydrophobicContact CG1-CB 4.26Å; V219-R319 HydrophobicContact CG2-CB 4.07Å; V219-R319 HydrophobicContact CG2-CG 4.08Å; L311-R319 WeakPolarHBondContact O-CD 3.42Å; L311-R319 PolarHBondContact O-NH1 3Å; S317-R319 PolarHBondContact O-N 3.49Å; R319-E820 IonicContact CZ-OE1 3.72Å; R319-E820 IonicContact CZ-OE2 3.26Å; R319-E820 IonicContact NE-OE1 2.81Å; R319-E820 PolarHBondContact NE-OE1 2.89Å; R319-E820 IonicContact NE-OE2 3.39Å; R319-E820 VanDerWaalsContact NH2-CD 3.34Å; R319-E820 IonicContact NH2-OE1 3.27Å; R319-E820 PolarHBondContact NH2-OE1 3.18Å; R319-E820 IonicContact NH2-OE2 3.16Å; R319-E820 PolarHBondContact NH2-OE2 2.63Å
320	C	92.9	Very high	93.6	Very high	6 Å²	6	19.7 Å²	19.7	4%	0.041	10%	0.099	C	C	.	.			trans	-124.4	119.8	-173.7	-63.1	0	0	0	0	111.5	L311 K318 P323 C335	L311-C320 PolarHBondContact O-N 2.85Å; K318-C320 PolarHBondContact O-N 2.84Å; K318-C320 PolarHBondContact O-SG 2.64Å; C320-P323 HydrophobicContact CB-CB 4.01Å; C320-C335 VanDerWaalsContact SG-CB 3.52Å
321	I	93.6	Very high	93.9	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-80.7	-26.8	170.6	-165	173.1	0	0	0	112.5	L95 L122 I125 V127 A130 Y217 I824 F828	L95-I321 HydrophobicContact CD2-CG1 4.45Å; L122-I321 HydrophobicContact CD2-CD1 3.96Å; L122-I321 HydrophobicContact CD2-CG1 4.09Å; L122-I321 HydrophobicContact CD2-CG2 4.33Å; I125-I321 HydrophobicContact CD1-CD1 3.79Å; V127-I321 HydrophobicContact CB-CD1 4.21Å; V127-I321 HydrophobicContact CG1-CD1 4.05Å; V127-I321 HydrophobicContact CG1-CG2 4.07Å; V127-I321 HydrophobicContact CG2-CD1 3.85Å; A130-I321 HydrophobicContact CB-CG2 3.75Å; Y217-I321 HydrophobicContact CD1-CD1 4.36Å; Y217-I321 HydrophobicContact CD1-CG2 4.47Å; Y217-I321 HydrophobicContact CD2-CD1 4.19Å; Y217-I321 HydrophobicContact CE1-CB 4Å; Y217-I321 HydrophobicContact CE1-CG2 4Å; Y217-I321 HydrophobicContact CE2-CB 4.16Å; Y217-I321 HydrophobicContact CE2-CD1 4.48Å; Y217-I321 HydrophobicContact CG-CD1 4.11Å; Y217-I321 PolarHBondContact OH-N 2.92Å; I321-I824 HydrophobicContact CD1-CD1 3.71Å; I321-I824 HydrophobicContact CD1-CG1 4.09Å; I321-I824 HydrophobicContact CD1-CG2 4.27Å; I321-I824 HydrophobicContact CG1-CG2 4.38Å; I321-F828 WeakPolarHBondContact O-CZ 3.41Å
322	N	95.5	Very high	94.2	Very high	14 Å²	14	18.1 Å²	18.1	8%	0.075	9%	0.09	C	C	.	.	S	Bend	trans	-132.4	52.4	-173.7	70	-42.9	0	0	0	111.5	R118 L122 A130 Q133 D134	R118-N322 PolarHBondContact NH2-O 2.82Å; L122-N322 HydrophobicContact CD1-CB 4Å; A130-N322 HydrophobicContact CB-CB 4.16Å; A130-N322 PolarHBondContact O-ND2 3.01Å; Q133-N322 PolarHBondContact OE1-ND2 3.25Å; Q133-N322 PolarHBondContact OE1-OD1 3.46Å; D134-N322 PolarHBondContact OD1-ND2 3.44Å
323	P	96.7	Very high	94.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-56.5	146.4	-175.4	29.7	-39.4	0	0	0	112.3	F103 R118 L310 C320 F334	F103-P323 HydrophobicContact CE2-CG 3.97Å; F103-P323 HydrophobicContact CZ-CB 4.18Å; F103-P323 HydrophobicContact CZ-CG 3.94Å; R118-P323 PolarHBondContact NH1-O 3.28Å; L310-P323 WeakPolarHBondContact O-CG 3.41Å; C320-P323 HydrophobicContact CB-CB 4.01Å; P323-F334 WeakPolarHBondContact CA-O 3.38Å
324	I	97.3	Very high	94.4	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.046	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.1	171.8	-59.2	175.2	0	0	0	107.7	L137 G333 F334 E337	L137-I324 HydrophobicContact CD1-CD1 4.02Å; L137-I324 HydrophobicContact CD1-CG1 3.98Å; I324-G333 CarbonylContact O-C 3.49Å; I324-G333 WeakPolarHBondContact O-CA 3.44Å; I324-F334 PolarHBondContact N-O 3.21Å; I324-F334 WeakPolarHBondContact O-CD2 3.4Å; I324-F334 PolarHBondContact O-N 2.95Å; I324-E337 HydrophobicContact CD1-CG 4.04Å
325	P	96.8	Very high	94.4	Very high	9 Å²	9	19.2 Å²	19.2	6%	0.058	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	156.8	-178.7	31	-37.3	0	0	0	112.3	I102 F103	I102-P325 HydrophobicContact CG2-CG 3.94Å; F103-P325 HydrophobicContact CB-CB 4.37Å; F103-P325 HydrophobicContact CD1-CB 3.69Å; F103-P325 HydrophobicContact CD2-CB 3.92Å; F103-P325 HydrophobicContact CD2-CG 4.44Å; F103-P325 HydrophobicContact CE1-CB 3.79Å; F103-P325 HydrophobicContact CE2-CB 4.05Å; F103-P325 HydrophobicContact CG-CB 3.76Å; F103-P325 HydrophobicContact CZ-CB 3.99Å
326	C	95.9	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-50.1	145	162.9	178.6	0	0	0	0	111.5	K70 S328 V332 F334 H368	K70-C326 WeakPolarHBondContact CE-O 3.11Å; K70-C326 PolarHBondContact NZ-O 2.98Å; C326-S328 VanDerWaalsContact C-N 3.25Å; C326-S328 PolarHBondContact O-N 3.06Å; C326-S328 PolarHBondContact SG-N 3.44Å; C326-V332 HydrophobicContact CB-CG2 3.84Å; C326-V332 PolarHBondContact N-O 3.47Å; C326-V332 VanDerWaalsContact N-O 3.08Å; C326-F334 HydrophobicContact CB-CE2 4.04Å; C326-H368 VanDerWaalsContact SG-CD2 3.51Å
327	R	94.1	Very high	94.6	Very high	124 Å²	124	22.9 Å²	22.9	47%	0.468	12%	0.118	S	C	.	.	S	Bend	trans	-62.3	-28.3	177.3	69.2	-175	66.3	-174.2	2.1	114.2	K70 E340 W344	K70-R327 WeakPolarHBondContact CE-O 3.4Å; R327-E340 WeakPolarHBondContact CB-OE1 3.4Å; R327-E340 WeakPolarHBondContact CG-OE1 3.24Å; R327-E340 IonicContact CZ-OE1 2.69Å; R327-E340 IonicContact CZ-OE2 3.51Å; R327-E340 PolarHBondContact N-OE1 2.67Å; R327-E340 VanDerWaalsContact N-OE1 3.1Å; R327-E340 IonicContact NE-OE1 3.91Å; R327-E340 PolarHBondContact NE-OE1 2.89Å; R327-E340 IonicContact NE-OE2 2.89Å; R327-E340 PolarHBondContact NE-OE2 3.22Å; R327-E340 IonicContact NH2-OE1 3.57Å; R327-E340 IonicContact NH2-OE2 3.65Å; R327-E340 PolarHBondContact NH2-OE2 2.83Å; R327-W344 HydrophobicContact CG-CZ2 3.72Å
328	S	92	Very high	94.7	Very high	64 Å²	64	25 Å²	25	45%	0.448	13%	0.133	S	C	.	.	S	Bend	trans	-111	-45.2	-172.6	-58.4	0	0	0	0	113.7	C326	C326-S328 VanDerWaalsContact C-N 3.25Å; C326-S328 PolarHBondContact O-N 3.06Å; C326-S328 PolarHBondContact SG-N 3.44Å
329	C	93.9	Very high	94.8	Very high	3 Å²	3	22 Å²	22	2%	0.02	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-106.7	175	-177.1	81	0	0	0	0	112.9	A68 K70 Q331 H368	A68-C329 HydrophobicContact CB-CB 4.48Å; A68-C329 CarbonylContact O-C 3.58Å; A68-C329 VanDerWaalsContact O-CA 3.26Å; A68-C329 WeakPolarHBondContact O-CA 3.34Å; K70-C329 PolarHBondContact NZ-O 3.21Å; C329-Q331 PolarHBondContact SG-N 3.29Å; C329-H368 PolarHBondContact SG-NE2 3.45Å
330	T	94.2	Very high	95	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.031	12%	0.121	C	C	.	.	S	Bend	trans	-105.2	6	175.5	67.1	0	0	0	0	113.9	A68 K70 F103 F104	A68-T330 WeakPolarHBondContact CA-OG1 3.46Å; A68-T330 WeakPolarHBondContact O-CG2 3.47Å; A68-T330 PolarHBondContact O-N 3.05Å; A68-T330 PolarHBondContact O-OG1 3.36Å; K70-T330 HydrophobicContact CG-CG2 4.24Å; F103-T330 WeakPolarHBondContact CD1-O 3.38Å; F103-T330 VanDerWaalsContact O-CG2 3.31Å; F103-T330 WeakPolarHBondContact O-CG2 3.37Å; F104-T330 HydrophobicContact CD1-CG2 3.77Å; F104-T330 HydrophobicContact CE1-CG2 4.03Å; F104-T330 HydrophobicContact CG-CG2 4.28Å
331	Q	93.8	Very high	94.9	Very high	8 Å²	8	27 Å²	27	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	-91.1	-25.3	-165.9	-65.9	174.7	-43.7	0	0	114.6	V2 A68 C329 G373 V375 D376	V2-Q331 HydrophobicContact CG2-CB 3.87Å; V2-Q331 HydrophobicContact CG2-CG 4.1Å; V2-Q331 WeakPolarHBondContact CG2-O 3.37Å; A68-Q331 HydrophobicContact CB-CG 3.71Å; C329-Q331 PolarHBondContact SG-N 3.29Å; Q331-G373 VanDerWaalsContact OE1-C 3.25Å; Q331-V375 HydrophobicContact CB-CB 4.16Å; Q331-V375 HydrophobicContact CB-CG2 4.21Å; Q331-V375 HydrophobicContact CG-CB 4.43Å; Q331-V375 VanDerWaalsContact OE1-N 3.14Å; Q331-D376 PolarHBondContact NE2-OD1 3Å
332	V	95.5	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.			trans	-133.1	151.5	-175	-54.2	0	0	0	0	111.9	F103 L309 Y314 C326 F334 H368 V375	F103-V332 WeakPolarHBondContact CE1-O 3.26Å; L309-V332 HydrophobicContact CD2-CG1 4.38Å; Y314-V332 HydrophobicContact CD2-CB 3.99Å; Y314-V332 HydrophobicContact CD2-CG1 3.62Å; Y314-V332 HydrophobicContact CE2-CG1 4.04Å; Y314-V332 HydrophobicContact CG-CB 3.98Å; Y314-V332 HydrophobicContact CG-CG1 4.1Å; Y314-V332 HydrophobicContact CG-CG2 4.36Å; C326-V332 HydrophobicContact CB-CG2 3.84Å; C326-V332 PolarHBondContact N-O 3.47Å; C326-V332 VanDerWaalsContact N-O 3.08Å; V332-F334 HydrophobicContact CG2-CE2 3.87Å; V332-F334 HydrophobicContact CG2-CZ 3.77Å; V332-H368 VanDerWaalsContact CG2-CE1 3.45Å; V332-H368 WeakPolarHBondContact CG2-CE1 3.4Å; V332-H368 WeakPolarHBondContact CG2-NE2 3.32Å; V332-V375 HydrophobicContact CG1-CG2 4.28Å
333	G	96.2	Very high	94.6	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	162.5	179.6	0	0	0	0	0	113.2	Y314 I324	Y314-G333 WeakPolarHBondContact CB-O 3.26Å; Y314-G333 PolarHBondContact N-O 3.29Å; I324-G333 CarbonylContact O-C 3.49Å; I324-G333 WeakPolarHBondContact O-CA 3.44Å
334	F	97.5	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.8	-169.6	-55.5	-85	0	0	0	111.3	Y314 R315 P323 I324 C326 V332 S336 C339 E340 A343	Y314-F334 AromaticContact CD1-CE1 3.85Å; Y314-F334 HydrophobicContact CD1-CE1 3.85Å; Y314-F334 HydrophobicContact CD1-CZ 4.2Å; Y314-F334 HydrophobicContact CG-CE1 4.3Å; R315-F334 HydrophobicContact CB-CD1 4.08Å; R315-F334 HydrophobicContact CB-CE1 4.22Å; P323-F334 WeakPolarHBondContact CA-O 3.38Å; I324-F334 PolarHBondContact N-O 3.21Å; I324-F334 WeakPolarHBondContact O-CD2 3.4Å; I324-F334 PolarHBondContact O-N 2.95Å; C326-F334 HydrophobicContact CB-CE2 4.04Å; V332-F334 HydrophobicContact CG2-CE2 3.87Å; V332-F334 HydrophobicContact CG2-CZ 3.77Å; F334-S336 VanDerWaalsContact C-N 3.31Å; F334-C339 HydrophobicContact CB-CB 4.15Å; F334-C339 HydrophobicContact CD1-CB 4.24Å; F334-C339 WeakPolarHBondContact CD1-O 3.48Å; F334-E340 HydrophobicContact CB-CB 4.08Å; F334-E340 HydrophobicContact CD1-CB 4.34Å; F334-E340 HydrophobicContact CD2-CB 3.57Å; F334-E340 HydrophobicContact CD2-CG 3.46Å; F334-E340 VanDerWaalsContact CD2-CG 3.46Å; F334-E340 HydrophobicContact CE2-CB 4.09Å; F334-E340 HydrophobicContact CE2-CG 3.6Å; F334-E340 HydrophobicContact CG-CB 3.73Å; F334-E340 HydrophobicContact CG-CG 4.16Å; F334-E340 HydrophobicContact CZ-CG 4.37Å; F334-A343 HydrophobicContact CD1-CB 4.33Å; F334-A343 HydrophobicContact CE1-CB 3.37Å; F334-A343 HydrophobicContact CZ-CB 3.81Å
335	C	95.5	Very high	93.4	Very high	26 Å²	26	32.9 Å²	32.9	18%	0.176	17%	0.171	C	C	.	.	S	Bend	trans	-75.2	-20.3	176.2	62.1	0	0	0	0	113.6	Q133 C313 C316 K318 C320 C339	Q133-C335 PolarHBondContact NE2-O 3.14Å; Q133-C335 VanDerWaalsContact NE2-O 3.14Å; C313-C335 HydrophobicContact CB-CB 4.01Å; C313-C335 PolarHBondContact SG-N 3.34Å; C313-C335 VanDerWaalsContact SG-N 3.38Å; C316-C335 VanDerWaalsContact SG-SG 3.64Å; K318-C335 HydrophobicContact CD-CB 4.06Å; C320-C335 VanDerWaalsContact SG-CB 3.52Å; C335-C339 VanDerWaalsContact SG-SG 3.64Å
336	S	95.1	Very high	92	Very high	38 Å²	38	33 Å²	33	27%	0.266	17%	0.172	S	C	.	.	S	Bend	trans	-154.4	162.9	-175.7	67	0	0	0	0	111.4	F334 S338 C339 E340	F334-S336 VanDerWaalsContact C-N 3.31Å; S336-S338 VanDerWaalsContact C-N 3.3Å; S336-S338 PolarHBondContact O-N 3.15Å; S336-C339 PolarHBondContact O-N 2.83Å; S336-C339 PolarHBondContact OG-N 2.79Å; S336-E340 PolarHBondContact O-N 2.69Å; S336-E340 VanDerWaalsContact O-N 3.13Å
337	E	94.4	Very high	90.3	Very high	63 Å²	63	37.5 Å²	37.5	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-34	174.7	-59.7	-166.9	134.6	0	0	112.2	K140 I324 E340 Q341	K140-E337 IonicContact NZ-OE1 2.82Å; K140-E337 PolarHBondContact NZ-OE1 2.67Å; K140-E337 IonicContact NZ-OE2 3.86Å; K140-E337 PolarHBondContact NZ-OE2 3.48Å; I324-E337 HydrophobicContact CD1-CG 4.04Å; E337-E340 PolarHBondContact O-N 3Å; E337-Q341 WeakPolarHBondContact O-CB 3.11Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.29Å; E337-Q341 PolarHBondContact O-N 3.34Å
338	S	93.6	Very high	88.8	Confident	56 Å²	56	35 Å²	35	39%	0.392	19%	0.189	S	C	.	.	H	α-helix	trans	-64.6	-43.8	174.7	128.5	0	0	0	0	111.3	S336 E340 Q341 E342	S336-S338 VanDerWaalsContact C-N 3.3Å; S336-S338 PolarHBondContact O-N 3.15Å; S338-E340 VanDerWaalsContact C-N 3.29Å; S338-E340 PolarHBondContact O-N 3.46Å; S338-Q341 PolarHBondContact O-N 3.25Å; S338-E342 WeakPolarHBondContact O-CB 3.16Å; S338-E342 VanDerWaalsContact O-CG 3.29Å; S338-E342 WeakPolarHBondContact O-CG 3.34Å; S338-E342 PolarHBondContact O-N 3.26Å; S338-E342 PolarHBondContact OG-OE1 3.35Å
339	C	94.5	Very high	86.9	Confident	15 Å²	15	35.6 Å²	35.6	10%	0.101	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-36.9	175.2	-85.2	0	0	0	0	112.5	R315 F334 C335 S336 A343	R315-C339 HydrophobicContact CB-CB 4.1Å; R315-C339 HydrophobicContact CG-CB 4.36Å; F334-C339 HydrophobicContact CB-CB 4.15Å; F334-C339 HydrophobicContact CD1-CB 4.24Å; F334-C339 WeakPolarHBondContact CD1-O 3.48Å; C335-C339 VanDerWaalsContact SG-SG 3.64Å; S336-C339 PolarHBondContact O-N 2.83Å; S336-C339 PolarHBondContact OG-N 2.79Å; C339-A343 VanDerWaalsContact O-CB 3.3Å; C339-A343 WeakPolarHBondContact O-CB 3.35Å; C339-A343 PolarHBondContact O-N 2.61Å
340	E	95.4	Very high	84.4	Confident	13 Å²	13	39.7 Å²	39.7	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-48.9	174.4	-168	-78.6	158.5	0	0	111.1	R327 F334 S336 E337 S338 A343 W344	R327-E340 WeakPolarHBondContact CB-OE1 3.4Å; R327-E340 WeakPolarHBondContact CG-OE1 3.24Å; R327-E340 IonicContact CZ-OE1 2.69Å; R327-E340 IonicContact CZ-OE2 3.51Å; R327-E340 PolarHBondContact N-OE1 2.67Å; R327-E340 VanDerWaalsContact N-OE1 3.1Å; R327-E340 IonicContact NE-OE1 3.91Å; R327-E340 PolarHBondContact NE-OE1 2.89Å; R327-E340 IonicContact NE-OE2 2.89Å; R327-E340 PolarHBondContact NE-OE2 3.22Å; R327-E340 IonicContact NH2-OE1 3.57Å; R327-E340 IonicContact NH2-OE2 3.65Å; R327-E340 PolarHBondContact NH2-OE2 2.83Å; F334-E340 HydrophobicContact CB-CB 4.08Å; F334-E340 HydrophobicContact CD1-CB 4.34Å; F334-E340 HydrophobicContact CD2-CB 3.57Å; F334-E340 HydrophobicContact CD2-CG 3.46Å; F334-E340 VanDerWaalsContact CD2-CG 3.46Å; F334-E340 HydrophobicContact CE2-CB 4.09Å; F334-E340 HydrophobicContact CE2-CG 3.6Å; F334-E340 HydrophobicContact CG-CB 3.73Å; F334-E340 HydrophobicContact CG-CG 4.16Å; F334-E340 HydrophobicContact CZ-CG 4.37Å; S336-E340 PolarHBondContact O-N 2.69Å; S336-E340 VanDerWaalsContact O-N 3.13Å; E337-E340 PolarHBondContact O-N 3Å; S338-E340 VanDerWaalsContact C-N 3.29Å; S338-E340 PolarHBondContact O-N 3.46Å; E340-A343 PolarHBondContact O-N 2.98Å; E340-W344 VanDerWaalsContact O-CD1 3.24Å; E340-W344 PolarHBondContact OE1-NE1 3.4Å
341	Q	92.5	Very high	82.1	Confident	113 Å²	113	45.4 Å²	45.4	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-47.6	-179.2	-72	171.1	6.5	0	0	111.9	E337 S338 A343 W344	E337-Q341 WeakPolarHBondContact O-CB 3.11Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.29Å; E337-Q341 PolarHBondContact O-N 3.34Å; S338-Q341 PolarHBondContact O-N 3.25Å; Q341-A343 VanDerWaalsContact C-N 3.27Å; Q341-A343 PolarHBondContact O-N 3.14Å; Q341-W344 PolarHBondContact O-N 3.21Å
342	E	90.7	Very high	79.8	Confident	61 Å²	61	52.2 Å²	52.2	29%	0.285	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-28.3	-179	-71.3	171.5	-143.2	0	0	112.6	R315 S338 W344 N345 T361	R315-E342 PolarHBondContact NH1-O 3.32Å; S338-E342 WeakPolarHBondContact O-CB 3.16Å; S338-E342 VanDerWaalsContact O-CG 3.29Å; S338-E342 WeakPolarHBondContact O-CG 3.34Å; S338-E342 PolarHBondContact O-N 3.26Å; S338-E342 PolarHBondContact OG-OE1 3.35Å; E342-W344 PolarHBondContact O-N 2.98Å; E342-W344 VanDerWaalsContact O-N 3.13Å; E342-N345 WeakPolarHBondContact O-CB 3.46Å; E342-N345 PolarHBondContact O-N 3.33Å; E342-T361 HydrophobicContact CB-CG2 4.36Å; E342-T361 HydrophobicContact CG-CG2 4Å
343	A	92	Very high	77.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15	176	0	0	0	0	0	113.6	R315 F334 C339 E340 Q341 N345 C367 H368	R315-A343 HydrophobicContact CB-CB 4.43Å; F334-A343 HydrophobicContact CD1-CB 4.33Å; F334-A343 HydrophobicContact CE1-CB 3.37Å; F334-A343 HydrophobicContact CZ-CB 3.81Å; C339-A343 VanDerWaalsContact O-CB 3.3Å; C339-A343 WeakPolarHBondContact O-CB 3.35Å; C339-A343 PolarHBondContact O-N 2.61Å; E340-A343 PolarHBondContact O-N 2.98Å; Q341-A343 VanDerWaalsContact C-N 3.27Å; Q341-A343 PolarHBondContact O-N 3.14Å; A343-N345 VanDerWaalsContact C-N 3.33Å; A343-C367 CarbonylContact O-C 3.46Å; A343-C367 WeakPolarHBondContact O-CA 3.27Å; A343-H368 HydrophobicContact CB-CB 4.31Å; A343-H368 PolarHBondContact O-N 3.16Å
344	W	88.6	Confident	74.5	Confident	46 Å²	46	61.6 Å²	61.6	17%	0.174	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.2	173.6	-72.9	88	0	0	0	114	R327 E340 Q341 E342 R369 C372	R327-W344 HydrophobicContact CG-CZ2 3.72Å; E340-W344 VanDerWaalsContact O-CD1 3.24Å; E340-W344 PolarHBondContact OE1-NE1 3.4Å; Q341-W344 PolarHBondContact O-N 3.21Å; E342-W344 PolarHBondContact O-N 2.98Å; E342-W344 VanDerWaalsContact O-N 3.13Å; W344-R369 HydrophobicContact CE3-CB 4.06Å; W344-R369 HydrophobicContact CE3-CG 4.04Å; W344-R369 HydrophobicContact CZ3-CG 4.36Å; W344-C372 HydrophobicContact CH2-CB 4.03Å
345	N	79.1	Confident	71.5	Confident	46 Å²	46	68.1 Å²	68.1	25%	0.246	38%	0.375	C	S	.	.			trans	-84.7	151.4	169.7	-63.6	-38.7	0	0	0	110.2	E342 A343 T361 C367	E342-N345 WeakPolarHBondContact O-CB 3.46Å; E342-N345 PolarHBondContact O-N 3.33Å; A343-N345 VanDerWaalsContact C-N 3.33Å; N345-T361 WeakPolarHBondContact ND2-CG2 3.45Å; N345-C367 VanDerWaalsContact O-CB 3.24Å; N345-C367 WeakPolarHBondContact O-CB 3.11Å; N345-C367 PolarHBondContact O-SG 3.32Å
346	P	66.9	Low	68.5	Low	10 Å²	10	72.3 Å²	72.3	7%	0.065	40%	0.402	C	S	.	.			cis	-82.2	145.2	17	28.8	-32	0	0	0	114.6	W348 L363	P346-W348 HydrophobicContact CB-CD2 4.04Å; P346-W348 HydrophobicContact CB-CE3 4Å; P346-W348 HydrophobicContact CB-CH2 3.76Å; P346-W348 HydrophobicContact CB-CZ2 3.82Å; P346-W348 HydrophobicContact CB-CZ3 3.88Å; P346-W348 HydrophobicContact CG-CD2 4.02Å; P346-W348 HydrophobicContact CG-CE3 4.29Å; P346-W348 HydrophobicContact CG-CH2 3.38Å; P346-W348 HydrophobicContact CG-CZ2 3.04Å; P346-W348 HydrophobicContact CG-CZ3 4.02Å; P346-L363 HydrophobicContact CB-CD2 4.29Å
347	V	61.2	Low	66	Low	95 Å²	95	77.7 Å²	77.7	58%	0.576	43%	0.427	S	S	*	.			trans	-94.5	105	159.7	177.4	0	0	0	0	106	T349	V347-T349 WeakPolarHBondContact CG1-O 3.41Å; V347-T349 PolarHBondContact O-N 2.94Å
348	W	62.3	Low	63.1	Low	71 Å²	71	83.1 Å²	83.1	27%	0.269	45%	0.452	S	S	.	.			trans	-69.8	-15.7	-177.8	-60.2	122.2	0	0	0	113.7	P346 K432 A434	P346-W348 HydrophobicContact CB-CD2 4.04Å; P346-W348 HydrophobicContact CB-CE3 4Å; P346-W348 HydrophobicContact CB-CH2 3.76Å; P346-W348 HydrophobicContact CB-CZ2 3.82Å; P346-W348 HydrophobicContact CB-CZ3 3.88Å; P346-W348 HydrophobicContact CG-CD2 4.02Å; P346-W348 HydrophobicContact CG-CE3 4.29Å; P346-W348 HydrophobicContact CG-CH2 3.38Å; P346-W348 HydrophobicContact CG-CZ2 3.04Å; P346-W348 HydrophobicContact CG-CZ3 4.02Å; W348-K432 VanDerWaalsContact CH2-C 3.43Å; W348-K432 WeakPolarHBondContact CH2-O 3.46Å; W348-K432 VanDerWaalsContact CZ2-O 3.26Å; W348-K432 WeakPolarHBondContact CZ2-O 3.42Å; W348-A434 HydrophobicContact CB-CB 4.26Å; W348-A434 HydrophobicContact CD2-CB 3.55Å; W348-A434 HydrophobicContact CE3-CB 3.37Å; W348-A434 HydrophobicContact CG-CB 3.98Å; W348-A434 HydrophobicContact CZ3-CB 3.9Å
349	T	51.1	Low	60.7	Low	78 Å²	78	82.5 Å²	82.5	48%	0.479	45%	0.448	S	S	.	.			trans	-156.1	139.7	-171	48.7	0	0	0	0	112.1	V347 I351	V347-T349 WeakPolarHBondContact CG1-O 3.41Å; V347-T349 PolarHBondContact O-N 2.94Å; T349-I351 HydrophobicContact CG2-CD1 4.13Å; T349-I351 HydrophobicContact CG2-CG1 3.91Å
350	D	42.8	Very low	58.1	Low	89 Å²	89	88.9 Å²	88.9	48%	0.476	49%	0.487	S	S	.	.				-124.1	97.4	129.1	-177.1	9.6	0	0	0	106.6	N352 T353	D350-N352 PolarHBondContact O-N 3.25Å; D350-N352 PolarHBondContact OD1-N 3.27Å; D350-T353 VanDerWaalsContact CB-OG1 3.27Å; D350-T353 WeakPolarHBondContact CB-OG1 3.21Å; D350-T353 CarbonylContact O-C 3.56Å; D350-T353 PolarHBondContact O-N 3.46Å; D350-T353 WeakPolarHBondContact OD2-CG2 3.31Å; D350-T353 PolarHBondContact OD2-OG1 2.63Å
351	I	45.8	Very low	56.2	Low	125 Å²	125	89 Å²	89	64%	0.641	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.9	-177.4	-69	163.5	0	0	0	111.2	T349 C531	T349-I351 HydrophobicContact CG2-CD1 4.13Å; T349-I351 HydrophobicContact CG2-CG1 3.91Å; I351-C531 VanDerWaalsContact CD1-SG 3.52Å
352	N	46.2	Very low	55.1	Low	151 Å²	151	85 Å²	85	81%	0.807	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.9	176.8	-67.7	-27.8	0	0	0	113.8	D350	D350-N352 PolarHBondContact O-N 3.25Å; D350-N352 PolarHBondContact OD1-N 3.27Å
353	T	43.5	Very low	54	Low	69 Å²	69	85.7 Å²	85.7	42%	0.423	48%	0.476	S	S	.	.	S	Bend	trans	-126.1	109.6	173	58.7	0	0	0	0	109.6	D350 L355	D350-T353 VanDerWaalsContact CB-OG1 3.27Å; D350-T353 WeakPolarHBondContact CB-OG1 3.21Å; D350-T353 CarbonylContact O-C 3.56Å; D350-T353 PolarHBondContact O-N 3.46Å; D350-T353 WeakPolarHBondContact OD2-CG2 3.31Å; D350-T353 PolarHBondContact OD2-OG1 2.63Å; T353-L355 PolarHBondContact O-N 3.47Å
354	S	36.9	Very low	53.2	Low	129 Å²	129	85.9 Å²	85.9	90%	0.902	48%	0.477	S	S	*	.			trans	-66.9	29.7	178	38.3	0	0	0	0	114.3
355	L	32.5	Very low	53.2	Low	136 Å²	136	84 Å²	84	71%	0.712	47%	0.471	S	S	*	.			trans	-101.1	114	169.5	-85.3	138.5	0	0	0	108.2	T353 L357	T353-L355 PolarHBondContact O-N 3.47Å; L355-L357 VanDerWaalsContact C-N 3.27Å; L355-L357 PolarHBondContact O-N 3.32Å
356	P	33.7	Very low	53.8	Low	114 Å²	114	81.9 Å²	81.9	74%	0.74	46%	0.459	S	S	*	.			trans	-59	106	152.5	3.8	10.2	0	0	0	104	E358	P356-E358 PolarHBondContact O-N 2.85Å
357	L	41.9	Very low	54.9	Low	151 Å²	151	81.5 Å²	81.5	79%	0.791	46%	0.457	S	S	*	.			trans	-61.5	103	162.1	-152.1	85.4	0	0	0	102.7	L355 S359	L355-L357 VanDerWaalsContact C-N 3.27Å; L355-L357 PolarHBondContact O-N 3.32Å; L357-S359 PolarHBondContact O-N 3.45Å
358	E	34.4	Very low	56.4	Low	177 Å²	177	77 Å²	77	83%	0.827	43%	0.429	S	S	*	.			trans	-51	89.5	153.6	-73.4	-175.1	168.8	0	0	103.7	P356 T360	P356-E358 PolarHBondContact O-N 2.85Å; E358-T360 VanDerWaalsContact C-N 3.25Å; E358-T360 PolarHBondContact O-N 3.34Å
359	S	43	Very low	57.7	Low	44 Å²	44	79.2 Å²	79.2	31%	0.308	44%	0.438	S	S	.	.			trans	-65.4	105.8	-179.8	74.4	0	0	0	0	102	L357 T361	L357-S359 PolarHBondContact O-N 3.45Å; S359-T361 WeakPolarHBondContact CB-OG1 3.36Å; S359-T361 PolarHBondContact O-N 3.13Å; S359-T361 PolarHBondContact OG-OG1 3.02Å
360	T	40.5	Very low	59.6	Low	148 Å²	148	75.9 Å²	75.9	91%	0.908	42%	0.417	S	S	*	.			trans	-54.4	-10.5	170.9	51.4	0	0	0	0	111	E358	E358-T360 VanDerWaalsContact C-N 3.25Å; E358-T360 PolarHBondContact O-N 3.34Å
361	T	55.6	Low	62	Low	16 Å²	16	71.7 Å²	71.7	10%	0.098	39%	0.394	C	S	.	.	S	Bend	trans	-67.3	126.5	172.1	61.5	0	0	0	0	113.3	E342 N345 S359 L363	E342-T361 HydrophobicContact CB-CG2 4.36Å; E342-T361 HydrophobicContact CG-CG2 4Å; N345-T361 WeakPolarHBondContact ND2-CG2 3.45Å; S359-T361 WeakPolarHBondContact CB-OG1 3.36Å; S359-T361 PolarHBondContact O-N 3.13Å; S359-T361 PolarHBondContact OG-OG1 3.02Å; T361-L363 PolarHBondContact O-N 3.42Å
362	D	67.8	Low	64.3	Low	30 Å²	30	67.2 Å²	67.2	16%	0.16	37%	0.373	C	S	.	.			trans	-58.2	105.9	166.6	-171.2	-19	0	0	0	111.1	K298 S364 L365	K298-D362 WeakPolarHBondContact CE-OD1 3.32Å; K298-D362 WeakPolarHBondContact CE-OD2 3.48Å; K298-D362 IonicContact NZ-OD1 3.88Å; K298-D362 PolarHBondContact NZ-OD1 2.86Å; K298-D362 IonicContact NZ-OD2 2.68Å; K298-D362 PolarHBondContact NZ-OD2 2.86Å; D362-S364 VanDerWaalsContact C-N 3.27Å; D362-S364 PolarHBondContact O-N 2.86Å; D362-S364 PolarHBondContact OD1-N 3.16Å; D362-S364 PolarHBondContact OD1-OG 2.93Å; D362-L365 HydrophobicContact CB-CD1 3.99Å; D362-L365 HydrophobicContact CB-CG 4.06Å; D362-L365 PolarHBondContact O-N 2.95Å
363	L	69	Low	66.5	Low	75 Å²	75	60.7 Å²	60.7	39%	0.393	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.2	-179	-68.3	172.5	0	0	0	113.7	P346 T361 L365 K432	P346-L363 HydrophobicContact CB-CD2 4.29Å; T361-L363 PolarHBondContact O-N 3.42Å; L363-L365 PolarHBondContact O-N 3.09Å; L363-K432 VanDerWaalsContact O-CD 3.25Å; L363-K432 WeakPolarHBondContact O-CD 3.26Å; L363-K432 WeakPolarHBondContact O-CE 3.38Å; L363-K432 PolarHBondContact O-NZ 3.04Å
364	S	74.6	Confident	68.8	Low	3 Å²	3	57.7 Å²	57.7	2%	0.021	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.2	175.8	65.4	0	0	0	0	113.3	K298 P299 D362	K298-S364 WeakPolarHBondContact CE-OG 3.32Å; P299-S364 WeakPolarHBondContact O-CB 3.38Å; D362-S364 VanDerWaalsContact C-N 3.27Å; D362-S364 PolarHBondContact O-N 2.86Å; D362-S364 PolarHBondContact OD1-N 3.16Å; D362-S364 PolarHBondContact OD1-OG 2.93Å
365	L	88.4	Confident	71.6	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.042	28%	0.28	C	S	.	.	S	Bend	trans	-76.6	150	-175	-65.2	-176.4	0	0	0	111.6	R315 D362 L363 C367 K621 F622	R315-L365 HydrophobicContact CG-CB 4.48Å; R315-L365 HydrophobicContact CG-CD1 4.26Å; R315-L365 WeakPolarHBondContact O-CD2 3.35Å; D362-L365 HydrophobicContact CB-CD1 3.99Å; D362-L365 HydrophobicContact CB-CG 4.06Å; D362-L365 PolarHBondContact O-N 2.95Å; L363-L365 PolarHBondContact O-N 3.09Å; L365-C367 PolarHBondContact O-N 3.33Å; L365-K621 HydrophobicContact CD1-CD 4.27Å; L365-K621 HydrophobicContact CD1-CG 4.44Å; L365-K621 HydrophobicContact CD2-CB 3.66Å; L365-K621 HydrophobicContact CD2-CG 4.1Å; L365-F622 HydrophobicContact CD2-CD2 3.8Å; L365-F622 HydrophobicContact CD2-CE2 4.11Å
366	P	91.8	Very high	74.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.9	138.2	-179.2	-28.4	37.5	0	0	0	114.2	C302 Y314 R315 F622	C302-P366 WeakPolarHBondContact O-CG 3.45Å; Y314-P366 HydrophobicContact CD1-CB 4.2Å; Y314-P366 HydrophobicContact CE1-CB 3.62Å; Y314-P366 WeakPolarHBondContact O-CG 3.33Å; R315-P366 WeakPolarHBondContact CD-O 3.28Å; R315-P366 PolarHBondContact NH1-O 2.96Å; R315-P366 WeakPolarHBondContact O-CD 3.46Å; P366-F622 VanDerWaalsContact CD-CE2 3.45Å; P366-F622 HydrophobicContact CG-CE2 3.8Å; P366-F622 HydrophobicContact CG-CZ 3.93Å
367	C	89.6	Confident	77.3	Confident	2 Å²	2	41 Å²	41	1%	0.014	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-101.5	137	169.4	177.3	0	0	0	0	108.9	R303 Y314 A343 N345 L365 R369	R303-C367 PolarHBondContact NH2-O 3.06Å; R303-C367 VanDerWaalsContact NH2-O 3.17Å; Y314-C367 PolarHBondContact OH-O 2.88Å; A343-C367 CarbonylContact O-C 3.46Å; A343-C367 WeakPolarHBondContact O-CA 3.27Å; N345-C367 VanDerWaalsContact O-CB 3.24Å; N345-C367 WeakPolarHBondContact O-CB 3.11Å; N345-C367 PolarHBondContact O-SG 3.32Å; L365-C367 PolarHBondContact O-N 3.33Å; C367-R369 PolarHBondContact SG-N 3.23Å; C367-R369 VanDerWaalsContact SG-N 3.45Å
368	H	92.6	Very high	79.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.			trans	-104.9	-14.9	178.5	-170.5	52.9	0	0	0	113.3	Y314 C326 C329 V332 A343 F370 E371 C372	Y314-H368 HydrophobicContact CD1-CB 4.18Å; Y314-H368 HydrophobicContact CE1-CB 3.63Å; C326-H368 VanDerWaalsContact SG-CD2 3.51Å; C329-H368 PolarHBondContact SG-NE2 3.45Å; V332-H368 VanDerWaalsContact CG2-CE1 3.45Å; V332-H368 WeakPolarHBondContact CG2-CE1 3.4Å; V332-H368 WeakPolarHBondContact CG2-NE2 3.32Å; A343-H368 HydrophobicContact CB-CB 4.31Å; A343-H368 PolarHBondContact O-N 3.16Å; H368-F370 PolarHBondContact O-N 3.49Å; H368-E371 CarbonylContact O-C 3.59Å; H368-E371 PolarHBondContact O-N 3.01Å; H368-C372 WeakPolarHBondContact NE2-CA 3.22Å; H368-C372 PolarHBondContact NE2-SG 2.86Å; H368-C372 VanDerWaalsContact NE2-SG 3.38Å; H368-C372 PolarHBondContact O-N 2.97Å
369	R	90.6	Very high	82.7	Confident	117 Å²	117	25.8 Å²	25.8	44%	0.442	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-49.1	-53.7	-170.7	179.7	178.8	-177.1	90.1	4.1	113.5	W344 C367 E371	W344-R369 HydrophobicContact CE3-CB 4.06Å; W344-R369 HydrophobicContact CE3-CG 4.04Å; W344-R369 HydrophobicContact CZ3-CG 4.36Å; C367-R369 PolarHBondContact SG-N 3.23Å; C367-R369 VanDerWaalsContact SG-N 3.45Å; R369-E371 VanDerWaalsContact C-N 3.29Å; R369-E371 PolarHBondContact O-N 3.15Å
370	F	91.6	Very high	85.3	Confident	9 Å²	9	24 Å²	24	4%	0.039	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-85.9	-1.6	-176.3	-56.5	-69.3	0	0	0	113.4	H368 T431 Y517	H368-F370 PolarHBondContact O-N 3.49Å; F370-T431 HydrophobicContact CB-CG2 3.64Å; F370-T431 HydrophobicContact CD2-CG2 4.25Å; F370-T431 HydrophobicContact CG-CG2 4.25Å; F370-Y517 HydrophobicContact CD1-CD2 4.43Å; F370-Y517 HydrophobicContact CD2-CD2 4.39Å; F370-Y517 HydrophobicContact CE1-CD2 4.32Å; F370-Y517 HydrophobicContact CE2-CD2 4.26Å; F370-Y517 HydrophobicContact CG-CD2 4.45Å; F370-Y517 HydrophobicContact CZ-CD2 4.22Å
371	E	92.9	Very high	87.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-109.3	-8.3	-179.3	-62.4	-179.2	-171.9	0	0	112.2	R303 Y314 H368 R369 G373 L374 V375 L378 W424 F427	R303-E371 IonicContact CZ-OE1 3.03Å; R303-E371 IonicContact NE-OE1 3.23Å; R303-E371 PolarHBondContact NE-OE1 3.2Å; R303-E371 IonicContact NE-OE2 3.46Å; R303-E371 PolarHBondContact NE-OE2 3.31Å; R303-E371 IonicContact NH2-OE1 3.52Å; R303-E371 PolarHBondContact NH2-OE1 3.11Å; Y314-E371 PolarHBondContact OH-OE2 3.42Å; H368-E371 CarbonylContact O-C 3.59Å; H368-E371 PolarHBondContact O-N 3.01Å; R369-E371 VanDerWaalsContact C-N 3.29Å; R369-E371 PolarHBondContact O-N 3.15Å; E371-G373 PolarHBondContact O-N 3.33Å; E371-G373 VanDerWaalsContact O-N 3.11Å; E371-L374 PolarHBondContact O-N 2.96Å; E371-V375 HydrophobicContact CB-CG2 4.49Å; E371-V375 PolarHBondContact O-N 3.31Å; E371-L378 HydrophobicContact CB-CD1 4.27Å; E371-L378 HydrophobicContact CG-CD1 3.94Å; E371-W424 VanDerWaalsContact CD-NE1 3.25Å; E371-W424 PolarHBondContact OE1-NE1 3.24Å; E371-W424 PolarHBondContact OE2-NE1 3.02Å; E371-F427 HydrophobicContact CG-CD1 4.05Å; E371-F427 HydrophobicContact CG-CE1 3.66Å
372	C	93.5	Very high	89.9	Confident	31 Å²	31	21 Å²	21	21%	0.209	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	115.5	-172.4	-163.8	0	0	0	0	111.3	W344 H368 L374	W344-C372 HydrophobicContact CH2-CB 4.03Å; H368-C372 WeakPolarHBondContact NE2-CA 3.22Å; H368-C372 PolarHBondContact NE2-SG 2.86Å; H368-C372 VanDerWaalsContact NE2-SG 3.38Å; H368-C372 PolarHBondContact O-N 2.97Å; C372-L374 VanDerWaalsContact C-N 3.28Å; C372-L374 PolarHBondContact O-N 3.17Å
373	G	91.9	Very high	91.3	Very high	14 Å²	14	19.6 Å²	19.6	14%	0.144	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	7.2	-178.5	0	0	0	0	0	114.6	Q331 E371	Q331-G373 VanDerWaalsContact OE1-C 3.25Å; E371-G373 PolarHBondContact O-N 3.33Å; E371-G373 VanDerWaalsContact O-N 3.11Å
374	L	93.1	Very high	92.7	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.031	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-4.2	-179.8	-62.5	177.8	0	0	0	113.4	E371 C372 D376 R377 L378 C511	E371-L374 PolarHBondContact O-N 2.96Å; C372-L374 VanDerWaalsContact C-N 3.28Å; C372-L374 PolarHBondContact O-N 3.17Å; L374-D376 VanDerWaalsContact C-N 3.27Å; L374-D376 PolarHBondContact O-N 3.2Å; L374-R377 VanDerWaalsContact CD2-NH1 3.33Å; L374-R377 WeakPolarHBondContact O-CA 3.29Å; L374-R377 VanDerWaalsContact O-CB 3.31Å; L374-R377 WeakPolarHBondContact O-CB 3.5Å; L374-R377 PolarHBondContact O-N 3.31Å; L374-L378 WeakPolarHBondContact O-CG 3.26Å; L374-L378 PolarHBondContact O-N 3.01Å; L374-C511 WeakPolarHBondContact CD1-O 3.48Å
375	V	94.2	Very high	93.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-54.9	-42.1	-171.9	173.1	0	0	0	0	112.4	V2 L309 Q331 V332 E371 R377 L378 I379 W424	V2-V375 HydrophobicContact CG1-CG1 4.1Å; L309-V375 HydrophobicContact CD1-CG1 3.92Å; Q331-V375 HydrophobicContact CB-CB 4.16Å; Q331-V375 HydrophobicContact CB-CG2 4.21Å; Q331-V375 HydrophobicContact CG-CB 4.43Å; Q331-V375 VanDerWaalsContact OE1-N 3.14Å; V332-V375 HydrophobicContact CG1-CG2 4.28Å; E371-V375 HydrophobicContact CB-CG2 4.49Å; E371-V375 PolarHBondContact O-N 3.31Å; V375-R377 PolarHBondContact O-N 3.19Å; V375-L378 PolarHBondContact O-N 3.44Å; V375-I379 HydrophobicContact CG1-CD1 3.89Å; V375-I379 HydrophobicContact CG1-CG1 4.48Å; V375-I379 WeakPolarHBondContact O-CD1 3.38Å; V375-I379 WeakPolarHBondContact O-CG1 3.27Å; V375-I379 PolarHBondContact O-N 3.46Å; V375-W424 HydrophobicContact CB-CH2 4.4Å; V375-W424 HydrophobicContact CB-CZ2 4.27Å; V375-W424 HydrophobicContact CG1-CE3 4.44Å; V375-W424 HydrophobicContact CG1-CH2 3.28Å; V375-W424 HydrophobicContact CG1-CZ2 3.57Å; V375-W424 HydrophobicContact CG1-CZ3 3.78Å; V375-W424 HydrophobicContact CG2-CH2 4.25Å; V375-W424 HydrophobicContact CG2-CZ2 3.8Å
376	D	92.7	Very high	94.2	Very high	9 Å²	9	15.7 Å²	15.7	5%	0.048	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-24.9	175.4	60.9	-41.7	0	0	0	114.3	V2 T3 P4 N5 Q331 L374	V2-D376 HydrophobicContact CG1-CB 4.45Å; T3-D376 WeakPolarHBondContact O-CB 3.43Å; P4-D376 WeakPolarHBondContact CA-O 3.34Å; N5-D376 HydrophobicContact CB-CB 4.13Å; N5-D376 VanDerWaalsContact CB-OD2 3.28Å; N5-D376 WeakPolarHBondContact CB-OD2 3.31Å; N5-D376 PolarHBondContact N-O 3.45Å; Q331-D376 PolarHBondContact NE2-OD1 3Å; L374-D376 VanDerWaalsContact C-N 3.27Å; L374-D376 PolarHBondContact O-N 3.2Å
377	R	94.1	Very high	94.3	Very high	20 Å²	20	21.6 Å²	21.6	8%	0.075	10%	0.101	C	C	.	.	H	α-helix	trans	-89.1	-17.8	176.7	-65.2	172.4	163.9	150.8	-0.5	113.5	D8 S61 L374 V375 I380	D8-R377 IonicContact OD2-CZ 2.91Å; D8-R377 VanDerWaalsContact OD2-CZ 3.23Å; D8-R377 IonicContact OD2-NE 3.36Å; D8-R377 PolarHBondContact OD2-NE 2.83Å; D8-R377 IonicContact OD2-NH2 3.78Å; D8-R377 PolarHBondContact OD2-NH2 3.1Å; S61-R377 PolarHBondContact O-NH1 2.63Å; S61-R377 PolarHBondContact O-NH2 3.41Å; L374-R377 VanDerWaalsContact CD2-NH1 3.33Å; L374-R377 WeakPolarHBondContact O-CA 3.29Å; L374-R377 VanDerWaalsContact O-CB 3.31Å; L374-R377 WeakPolarHBondContact O-CB 3.5Å; L374-R377 PolarHBondContact O-N 3.31Å; V375-R377 PolarHBondContact O-N 3.19Å; R377-I380 WeakPolarHBondContact O-CG1 3.4Å
378	L	95.7	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-90.2	-17.2	-179.2	-56.8	179.3	0	0	0	112.6	E371 L374 V375 I380 S423 W424 F427 L508 C511	E371-L378 HydrophobicContact CB-CD1 4.27Å; E371-L378 HydrophobicContact CG-CD1 3.94Å; L374-L378 WeakPolarHBondContact O-CG 3.26Å; L374-L378 PolarHBondContact O-N 3.01Å; V375-L378 PolarHBondContact O-N 3.44Å; L378-I380 PolarHBondContact O-N 3.4Å; L378-S423 WeakPolarHBondContact O-CB 3.45Å; L378-S423 PolarHBondContact O-OG 3.48Å; L378-W424 HydrophobicContact CB-CB 4.33Å; L378-W424 HydrophobicContact CB-CG 4.13Å; L378-F427 HydrophobicContact CD1-CD1 3.72Å; L378-F427 HydrophobicContact CD1-CE1 3.84Å; L378-F427 HydrophobicContact CD1-CG 4.17Å; L378-F427 HydrophobicContact CD1-CZ 4.37Å; L378-F427 HydrophobicContact CD2-CB 4.45Å; L378-F427 HydrophobicContact CD2-CD1 4.19Å; L378-F427 HydrophobicContact CD2-CD2 3.66Å; L378-F427 HydrophobicContact CD2-CE1 4.33Å; L378-F427 HydrophobicContact CD2-CE2 3.8Å; L378-F427 HydrophobicContact CD2-CG 3.86Å; L378-F427 HydrophobicContact CD2-CZ 4.15Å; L378-L508 HydrophobicContact CD2-CD2 3.74Å; L378-C511 HydrophobicContact CD2-CB 4.04Å
379	I	94.8	Very high	94.8	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.041	11%	0.107	C	C	.	.			trans	-84.6	90.3	177.8	-59.6	160.9	0	0	0	108.5	V2 P4 Y306 V375 P420 W424	V2-I379 HydrophobicContact CG1-CD1 3.83Å; P4-I379 HydrophobicContact CB-CB 4.47Å; P4-I379 HydrophobicContact CB-CG2 4.29Å; P4-I379 HydrophobicContact CG-CB 4.31Å; P4-I379 HydrophobicContact CG-CG2 3.72Å; Y306-I379 HydrophobicContact CD1-CG2 3.98Å; Y306-I379 HydrophobicContact CG-CD1 4.31Å; Y306-I379 HydrophobicContact CG-CG2 4.39Å; V375-I379 HydrophobicContact CG1-CD1 3.89Å; V375-I379 HydrophobicContact CG1-CG1 4.48Å; V375-I379 WeakPolarHBondContact O-CD1 3.38Å; V375-I379 WeakPolarHBondContact O-CG1 3.27Å; V375-I379 PolarHBondContact O-N 3.46Å; I379-P420 HydrophobicContact CB-CB 4.37Å; I379-P420 HydrophobicContact CG2-CB 3.4Å; I379-P420 VanDerWaalsContact CG2-CB 3.4Å; I379-W424 HydrophobicContact CG1-CE3 4.12Å; I379-W424 HydrophobicContact CG1-CZ3 4.43Å
380	I	96.9	Very high	95	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.036	10%	0.097	C	C	.	.			trans	-116.7	116.6	-169.9	-53.6	173.3	0	0	0	111.7	L9 R377 L378 Y383 G419 S423 V504 Y507 L508	L9-I380 HydrophobicContact CD2-CB 4.45Å; L9-I380 HydrophobicContact CD2-CD1 4.44Å; L9-I380 HydrophobicContact CD2-CG1 4.33Å; L9-I380 HydrophobicContact CD2-CG2 3.36Å; R377-I380 WeakPolarHBondContact O-CG1 3.4Å; L378-I380 PolarHBondContact O-N 3.4Å; I380-Y383 HydrophobicContact CB-CD1 4.3Å; I380-Y383 HydrophobicContact CB-CE1 4.27Å; I380-Y383 HydrophobicContact CG2-CD1 3.78Å; I380-Y383 HydrophobicContact CG2-CE1 4.25Å; I380-Y383 WeakPolarHBondContact O-CE1 3.34Å; I380-G419 CarbonylContact O-C 3.46Å; I380-G419 PolarHBondContact O-N 3.19Å; I380-S423 PolarHBondContact N-OG 2.89Å; I380-V504 HydrophobicContact CB-CG2 4.28Å; I380-V504 HydrophobicContact CD1-CG2 3.36Å; I380-V504 HydrophobicContact CG1-CG2 4.4Å; I380-V504 HydrophobicContact CG2-CG2 3.93Å; I380-Y507 HydrophobicContact CD1-CD1 3.73Å; I380-Y507 HydrophobicContact CD1-CE1 3.67Å; I380-L508 HydrophobicContact CD1-CD2 3.77Å; I380-L508 HydrophobicContact CD1-CG 4.18Å
381	E	94.7	Very high	95.1	Very high	96 Å²	96	24.9 Å²	24.9	45%	0.449	13%	0.129	S	C	.	.	S	Bend	trans	-97.8	-9.3	177.3	-66.9	-174.4	-178.3	0	0	114.4	G418 P420	E381-G418 WeakPolarHBondContact O-CA 3.39Å; E381-P420 HydrophobicContact CG-CB 4.45Å; E381-P420 HydrophobicContact CG-CG 4.08Å
382	D	96.9	Very high	95.1	Very high	4 Å²	4	28 Å²	28	2%	0.021	14%	0.142	C	C	.	.			trans	-140.8	82.5	-172.4	-175.8	11.1	0	0	0	110.1	Y10 A384 G385 W386 K387 R388	Y10-D382 HydrophobicContact CE1-CB 4.31Å; D382-A384 VanDerWaalsContact C-N 3.29Å; D382-A384 PolarHBondContact O-N 3.28Å; D382-G385 PolarHBondContact O-N 2.5Å; D382-G385 VanDerWaalsContact O-N 3.14Å; D382-G385 VanDerWaalsContact OD1-C 3.27Å; D382-G385 WeakPolarHBondContact OD1-CA 3.47Å; D382-G385 PolarHBondContact OD1-N 3.3Å; D382-G385 WeakPolarHBondContact OD2-CA 3.48Å; D382-W386 PolarHBondContact OD1-N 2.8Å; D382-W386 PolarHBondContact OD2-N 3.27Å; D382-K387 HydrophobicContact CB-CB 4.19Å; D382-K387 PolarHBondContact OD1-N 3.48Å; D382-K387 WeakPolarHBondContact OD2-CB 3.35Å; D382-K387 PolarHBondContact OD2-N 3.08Å; D382-R388 PolarHBondContact OD2-N 3.49Å
383	Y	98	Very high	94.9	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.3	-164.5	-77.9	-1.3	0	0	0	114.5	I380 I417 G419 S423 R501 V504 L546	I380-Y383 HydrophobicContact CB-CD1 4.3Å; I380-Y383 HydrophobicContact CB-CE1 4.27Å; I380-Y383 HydrophobicContact CG2-CD1 3.78Å; I380-Y383 HydrophobicContact CG2-CE1 4.25Å; I380-Y383 WeakPolarHBondContact O-CE1 3.34Å; Y383-I417 HydrophobicContact CD2-CD1 4.06Å; Y383-I417 HydrophobicContact CD2-CG1 4.06Å; Y383-I417 PolarHBondContact N-O 3.2Å; Y383-G419 PolarHBondContact OH-O 2.9Å; Y383-S423 PolarHBondContact OH-N 3Å; Y383-R501 HydrophobicContact CD2-CG 4.2Å; Y383-R501 HydrophobicContact CE2-CG 4.32Å; Y383-V504 HydrophobicContact CD1-CB 3.94Å; Y383-V504 HydrophobicContact CD1-CG1 3.81Å; Y383-V504 HydrophobicContact CD1-CG2 3.77Å; Y383-V504 HydrophobicContact CD2-CB 4.45Å; Y383-V504 HydrophobicContact CD2-CG1 3.65Å; Y383-V504 HydrophobicContact CE1-CG1 4.21Å; Y383-V504 HydrophobicContact CE1-CG2 4.26Å; Y383-V504 HydrophobicContact CE2-CG1 4.06Å; Y383-V504 HydrophobicContact CG-CB 3.83Å; Y383-V504 HydrophobicContact CG-CG1 3.5Å; Y383-V504 HydrophobicContact CG-CG2 4.2Å; Y383-L546 HydrophobicContact CE2-CD2 4.37Å
384	A	97.9	Very high	94.8	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	12.6	176.3	0	0	0	0	0	114.1	C13 D382 W386 Q500 V503	C13-A384 WeakPolarHBondContact CB-O 3.39Å; D382-A384 VanDerWaalsContact C-N 3.29Å; D382-A384 PolarHBondContact O-N 3.28Å; A384-W386 HydrophobicContact CB-CD2 4.1Å; A384-W386 HydrophobicContact CB-CG 4.02Å; A384-W386 HydrophobicContact CB-CZ2 4.45Å; A384-W386 VanDerWaalsContact O-CD1 3.27Å; A384-W386 PolarHBondContact O-N 3.42Å; A384-Q500 HydrophobicContact CB-CB 4.24Å; A384-Q500 HydrophobicContact CB-CG 3.73Å; A384-V503 HydrophobicContact CB-CB 4.25Å; A384-V503 HydrophobicContact CB-CG1 4.3Å; A384-V503 HydrophobicContact CB-CG2 4.15Å
385	G	97	Very high	94.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	69.1	16.4	-177.7	0	0	0	0	0	114	D382 L389	D382-G385 PolarHBondContact O-N 2.5Å; D382-G385 VanDerWaalsContact O-N 3.14Å; D382-G385 VanDerWaalsContact OD1-C 3.27Å; D382-G385 WeakPolarHBondContact OD1-CA 3.47Å; D382-G385 PolarHBondContact OD1-N 3.3Å; D382-G385 WeakPolarHBondContact OD2-CA 3.48Å; G385-L389 WeakPolarHBondContact O-CB 3.45Å; G385-L389 PolarHBondContact O-N 2.83Å
386	W	97.2	Very high	94.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-75.5	-37.2	-174.9	-72	2.6	0	0	0	111.5	P31 W32 D382 A384 R388 L389 R390 I408 L411 V416 W499 Q500	P31-W386 HydrophobicContact CB-CH2 4.44Å; P31-W386 HydrophobicContact CB-CZ2 3.76Å; P31-W386 HydrophobicContact CG-CH2 3.86Å; P31-W386 HydrophobicContact CG-CZ2 3.68Å; W32-W386 HydrophobicContact CZ3-CH2 4.41Å; D382-W386 PolarHBondContact OD1-N 2.8Å; D382-W386 PolarHBondContact OD2-N 3.27Å; A384-W386 HydrophobicContact CB-CD2 4.1Å; A384-W386 HydrophobicContact CB-CG 4.02Å; A384-W386 HydrophobicContact CB-CZ2 4.45Å; A384-W386 VanDerWaalsContact O-CD1 3.27Å; A384-W386 PolarHBondContact O-N 3.42Å; W386-R388 VanDerWaalsContact C-N 3.32Å; W386-R388 PolarHBondContact O-N 2.81Å; W386-L389 PolarHBondContact O-N 3.37Å; W386-L389 VanDerWaalsContact O-N 3.13Å; W386-R390 VanDerWaalsContact O-CG 3.31Å; W386-R390 WeakPolarHBondContact O-CG 3.5Å; W386-R390 PolarHBondContact O-N 3.32Å; W386-I408 HydrophobicContact CB-CG2 3.9Å; W386-I408 HydrophobicContact CD2-CD1 4.18Å; W386-I408 HydrophobicContact CD2-CG1 4.17Å; W386-I408 HydrophobicContact CD2-CG2 4.31Å; W386-I408 HydrophobicContact CG-CD1 4.06Å; W386-I408 HydrophobicContact CG-CG1 4.38Å; W386-I408 HydrophobicContact CG-CG2 4.02Å; W386-L411 HydrophobicContact CE3-CD1 3.8Å; W386-L411 HydrophobicContact CH2-CD1 4.5Å; W386-L411 HydrophobicContact CZ3-CD1 3.57Å; W386-V416 HydrophobicContact CB-CG1 3.92Å; W386-W499 AromaticContact CZ2-CD1 3.56Å; W386-Q500 HydrophobicContact CD2-CG 4.07Å; W386-Q500 HydrophobicContact CE3-CG 3.71Å; W386-Q500 HydrophobicContact CH2-CG 3.76Å; W386-Q500 HydrophobicContact CZ2-CG 4.11Å; W386-Q500 HydrophobicContact CZ3-CG 3.55Å
387	K	95.6	Very high	94.4	Very high	124 Å²	124	45.3 Å²	45.3	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-44.6	173.7	-173.4	178.9	179	179.3	0	110.5	D382 R390 S391 V416	D382-K387 HydrophobicContact CB-CB 4.19Å; D382-K387 PolarHBondContact OD1-N 3.48Å; D382-K387 WeakPolarHBondContact OD2-CB 3.35Å; D382-K387 PolarHBondContact OD2-N 3.08Å; K387-R390 PolarHBondContact O-N 3.46Å; K387-S391 PolarHBondContact O-N 3.03Å; K387-V416 HydrophobicContact CB-CG1 4Å
388	R	95.4	Very high	94.3	Very high	33 Å²	33	47 Å²	47	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-42.1	171.9	176.5	-167.7	58.5	139.1	4.4	112.3	Y10 D14 D382 W386 R390 S391 K392	Y10-R388 VanDerWaalsContact CD1-NE 3.35Å; Y10-R388 VanDerWaalsContact CD2-CD 3.46Å; Y10-R388 HydrophobicContact CE1-CB 3.93Å; Y10-R388 HydrophobicContact CE2-CB 4.37Å; Y10-R388 HydrophobicContact CE2-CG 4.31Å; Y10-R388 PolarHBondContact O-NH2 3.35Å; D14-R388 IonicContact OD1-CZ 3.93Å; D14-R388 IonicContact OD1-NH1 2.76Å; D14-R388 PolarHBondContact OD1-NH1 3.11Å; D14-R388 IonicContact OD1-NH2 2.81Å; D14-R388 PolarHBondContact OD1-NH2 2.93Å; D14-R388 IonicContact OD2-CZ 3.02Å; D14-R388 IonicContact OD2-NH1 2.91Å; D14-R388 PolarHBondContact OD2-NH1 3.2Å; D14-R388 IonicContact OD2-NH2 3.88Å; D382-R388 PolarHBondContact OD2-N 3.49Å; W386-R388 VanDerWaalsContact C-N 3.32Å; W386-R388 PolarHBondContact O-N 2.81Å; R388-R390 VanDerWaalsContact C-N 3.32Å; R388-R390 PolarHBondContact O-N 2.86Å; R388-S391 PolarHBondContact O-N 3.45Å; R388-S391 PolarHBondContact O-OG 2.86Å; R388-K392 PolarHBondContact O-N 3.39Å
389	L	95.5	Very high	94.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-38.4	-179.7	-176.8	69.2	0	0	0	111.9	M17 G385 W386 S391 K392 L397 M401 K405 I408	M17-L389 HydrophobicContact SD-CD2 3.84Å; G385-L389 WeakPolarHBondContact O-CB 3.45Å; G385-L389 PolarHBondContact O-N 2.83Å; W386-L389 PolarHBondContact O-N 3.37Å; W386-L389 VanDerWaalsContact O-N 3.13Å; L389-S391 VanDerWaalsContact C-N 3.27Å; L389-S391 PolarHBondContact O-N 3.25Å; L389-K392 PolarHBondContact O-N 2.99Å; L389-L397 HydrophobicContact CD1-CD1 3.97Å; L389-L397 HydrophobicContact CD1-CD2 3.6Å; L389-L397 HydrophobicContact CD1-CG 4.45Å; L389-M401 HydrophobicContact CD1-CB 4.13Å; L389-M401 HydrophobicContact CD1-CG 4.42Å; L389-K405 HydrophobicContact CD2-CB 4.2Å; L389-K405 HydrophobicContact CG-CB 4.39Å; L389-K405 PolarHBondContact O-NZ 3.22Å; L389-I408 HydrophobicContact CD2-CD1 3.48Å; L389-I408 VanDerWaalsContact CD2-CD1 3.48Å
390	R	95	Very high	94	Very high	64 Å²	64	53.8 Å²	53.8	24%	0.242	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-36.3	177.8	-70.8	179.7	99.4	-167.5	6.1	112	W386 K387 R388 K405 I408 D409 L411 D413	W386-R390 VanDerWaalsContact O-CG 3.31Å; W386-R390 WeakPolarHBondContact O-CG 3.5Å; W386-R390 PolarHBondContact O-N 3.32Å; K387-R390 PolarHBondContact O-N 3.46Å; R388-R390 VanDerWaalsContact C-N 3.32Å; R388-R390 PolarHBondContact O-N 2.86Å; R390-K405 PolarHBondContact O-NZ 3.5Å; R390-I408 HydrophobicContact CG-CG2 3.86Å; R390-I408 PolarHBondContact NE-O 3.28Å; R390-D409 WeakPolarHBondContact CG-OD1 3.42Å; R390-D409 PolarHBondContact NH2-O 3.35Å; R390-L411 PolarHBondContact NH2-O 3.16Å; R390-D413 IonicContact CZ-OD1 2.79Å; R390-D413 IonicContact NH1-OD1 3.83Å; R390-D413 PolarHBondContact NH1-OD1 3.47Å
391	S	93.7	Very high	93.8	Very high	100 Å²	100	53.7 Å²	53.7	70%	0.699	29%	0.289	S	S	*	.	H	α-helix	trans	-81.6	-13.4	-179.7	68.1	0	0	0	0	115.4	K387 R388 L389	K387-S391 PolarHBondContact O-N 3.03Å; R388-S391 PolarHBondContact O-N 3.45Å; R388-S391 PolarHBondContact O-OG 2.86Å; L389-S391 VanDerWaalsContact C-N 3.27Å; L389-S391 PolarHBondContact O-N 3.25Å
392	K	92.7	Very high	93.7	Very high	66 Å²	66	53 Å²	53	29%	0.287	28%	0.284	S	S	.	.	S	Bend	trans	-77	142	178.6	-78.9	-172.7	173.8	-173.2	0	112.5	R388 L389 L397	R388-K392 PolarHBondContact O-N 3.39Å; L389-K392 PolarHBondContact O-N 2.99Å; K392-L397 HydrophobicContact CB-CD2 3.84Å; K392-L397 HydrophobicContact CB-CG 4.37Å; K392-L397 HydrophobicContact CD-CD2 3.57Å; K392-L397 HydrophobicContact CG-CD2 4.37Å
393	S	90.4	Very high	93.5	Very high	63 Å²	63	55.5 Å²	55.5	44%	0.441	30%	0.295	S	S	.	.			trans	-64.9	144.9	169.6	177.9	0	0	0	0	110.6	N395 D396	S393-N395 PolarHBondContact O-N 3.26Å; S393-N395 VanDerWaalsContact O-N 3.17Å; S393-D396 WeakPolarHBondContact CB-OD2 3.34Å; S393-D396 PolarHBondContact O-N 2.88Å; S393-D396 VanDerWaalsContact O-N 3.14Å
394	L	88.6	Confident	93.3	Very high	95 Å²	95	55.5 Å²	55.5	50%	0.497	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-56.3	-35.2	179.1	-138.7	82.6	0	0	0	111.6	D396 L397 K402 K405	L394-D396 VanDerWaalsContact C-N 3.26Å; L394-D396 PolarHBondContact O-N 3.22Å; L394-L397 PolarHBondContact O-N 3.13Å; L394-K402 HydrophobicContact CG-CG 4.35Å; L394-K402 WeakPolarHBondContact O-CE 3.48Å; L394-K405 HydrophobicContact CD1-CD 4.09Å
395	N	90.3	Very high	93.1	Very high	136 Å²	136	56 Å²	56	73%	0.727	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-67.9	-23.4	-176.6	-68	-17.7	0	0	0	113.6	S393 L397	S393-N395 PolarHBondContact O-N 3.26Å; S393-N395 VanDerWaalsContact O-N 3.17Å; N395-L397 VanDerWaalsContact C-N 3.31Å
396	D	90.2	Very high	92.7	Very high	118 Å²	118	59 Å²	59	63%	0.631	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-88.9	0.1	-177.6	-56.1	-33.3	0	0	0	113	S393 L394	S393-D396 WeakPolarHBondContact CB-OD2 3.34Å; S393-D396 PolarHBondContact O-N 2.88Å; S393-D396 VanDerWaalsContact O-N 3.14Å; L394-D396 VanDerWaalsContact C-N 3.26Å; L394-D396 PolarHBondContact O-N 3.22Å
397	L	91.7	Very high	92.6	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	33%	0.329	C	S	.	.	S	Bend	trans	-101.1	141.4	-173.4	-63	179.5	0	0	0	112	L389 K392 L394 N395 M401 K402 K405	L389-L397 HydrophobicContact CD1-CD1 3.97Å; L389-L397 HydrophobicContact CD1-CD2 3.6Å; L389-L397 HydrophobicContact CD1-CG 4.45Å; K392-L397 HydrophobicContact CB-CD2 3.84Å; K392-L397 HydrophobicContact CB-CG 4.37Å; K392-L397 HydrophobicContact CD-CD2 3.57Å; K392-L397 HydrophobicContact CG-CD2 4.37Å; L394-L397 PolarHBondContact O-N 3.13Å; N395-L397 VanDerWaalsContact C-N 3.31Å; L397-M401 HydrophobicContact CB-CB 3.97Å; L397-M401 HydrophobicContact CD2-CB 4.17Å; L397-M401 HydrophobicContact CD2-SD 3.93Å; L397-M401 HydrophobicContact CG-CB 4.46Å; L397-K402 HydrophobicContact CB-CG 3.79Å; L397-K402 VanDerWaalsContact O-CE 3.25Å; L397-K402 WeakPolarHBondContact O-CE 3.42Å; L397-K405 HydrophobicContact CD1-CB 4.44Å; L397-K405 HydrophobicContact CD1-CD 3.35Å; L397-K405 HydrophobicContact CD1-CG 4.5Å
398	T	92.5	Very high	92.6	Very high	55 Å²	55	55.7 Å²	55.7	34%	0.337	30%	0.303	S	S	.	.			trans	-62.7	159.1	168.3	68.2	0	0	0	0	110.3	S400 M401 K402	T398-S400 PolarHBondContact O-N 3.32Å; T398-M401 HydrophobicContact CG2-CE 4.45Å; T398-M401 HydrophobicContact CG2-SD 4.43Å; T398-M401 PolarHBondContact O-N 2.82Å; T398-M401 VanDerWaalsContact O-N 3.09Å; T398-M401 WeakPolarHBondContact OG1-CG 3.36Å; T398-M401 PolarHBondContact OG1-N 3.17Å; T398-K402 WeakPolarHBondContact O-CG 3.23Å; T398-K402 PolarHBondContact O-N 3.49Å
399	V	91	Very high	92.5	Very high	124 Å²	124	57.3 Å²	57.3	75%	0.752	31%	0.314	S	S	*	.	H	α-helix	trans	-55	-42	178.7	177.9	0	0	0	0	111.1	K402 K403	V399-K402 PolarHBondContact O-N 3.49Å; V399-K403 PolarHBondContact O-N 2.97Å; V399-K403 VanDerWaalsContact O-N 3.16Å
400	S	92.1	Very high	92.5	Very high	27 Å²	27	65.6 Å²	65.6	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176.3	-56.5	0	0	0	0	112.3	T398 K402 K403 L404	T398-S400 PolarHBondContact O-N 3.32Å; S400-K402 PolarHBondContact O-N 2.99Å; S400-K403 WeakPolarHBondContact O-CB 3.3Å; S400-K403 PolarHBondContact O-N 2.8Å; S400-L404 PolarHBondContact O-N 3.15Å
401	M	93.7	Very high	92.4	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.03	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-39.3	178.9	-71.7	174.1	-168.4	0	0	112.5	D14 M17 L389 L397 T398 K403 L404 K405	D14-M401 HydrophobicContact CB-CE 3.41Å; D14-M401 VanDerWaalsContact CB-CE 3.41Å; D14-M401 WeakPolarHBondContact OD1-CE 3.47Å; M17-M401 HydrophobicContact CE-CE 4.16Å; M17-M401 HydrophobicContact CE-CG 4.16Å; M17-M401 HydrophobicContact CE-SD 4.5Å; M17-M401 HydrophobicContact SD-CG 4.39Å; L389-M401 HydrophobicContact CD1-CB 4.13Å; L389-M401 HydrophobicContact CD1-CG 4.42Å; L397-M401 HydrophobicContact CB-CB 3.97Å; L397-M401 HydrophobicContact CD2-CB 4.17Å; L397-M401 HydrophobicContact CD2-SD 3.93Å; L397-M401 HydrophobicContact CG-CB 4.46Å; T398-M401 HydrophobicContact CG2-CE 4.45Å; T398-M401 HydrophobicContact CG2-SD 4.43Å; T398-M401 PolarHBondContact O-N 2.82Å; T398-M401 VanDerWaalsContact O-N 3.09Å; T398-M401 WeakPolarHBondContact OG1-CG 3.36Å; T398-M401 PolarHBondContact OG1-N 3.17Å; M401-K403 VanDerWaalsContact C-N 3.27Å; M401-K403 PolarHBondContact O-N 3.43Å; M401-L404 PolarHBondContact O-N 2.86Å; M401-K405 VanDerWaalsContact O-CB 3.26Å; M401-K405 WeakPolarHBondContact O-CB 3.29Å; M401-K405 PolarHBondContact O-N 2.88Å
402	K	93	Very high	92.3	Very high	80 Å²	80	61.4 Å²	61.4	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-42.7	175.3	-71.7	173.9	172.9	168	0	111.5	L394 L397 T398 V399 S400	L394-K402 HydrophobicContact CG-CG 4.35Å; L394-K402 WeakPolarHBondContact O-CE 3.48Å; L397-K402 HydrophobicContact CB-CG 3.79Å; L397-K402 VanDerWaalsContact O-CE 3.25Å; L397-K402 WeakPolarHBondContact O-CE 3.42Å; T398-K402 WeakPolarHBondContact O-CG 3.23Å; T398-K402 PolarHBondContact O-N 3.49Å; V399-K402 PolarHBondContact O-N 3.49Å; S400-K402 PolarHBondContact O-N 2.99Å
403	K	91.8	Very high	92.1	Very high	57 Å²	57	64.3 Å²	64.3	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-52.5	177.9	-167.2	-176.6	-175.2	-164.9	0	111.1	V21 P26 Y28 D29 V399 S400 M401 S406	V21-K403 HydrophobicContact CG1-CD 4.24Å; V21-K403 HydrophobicContact CG2-CD 4.45Å; P26-K403 PolarHBondContact O-NZ 3.06Å; Y28-K403 PolarHBondContact O-NZ 3.19Å; D29-K403 WeakPolarHBondContact OD1-CE 3.47Å; D29-K403 IonicContact OD1-NZ 2.73Å; D29-K403 PolarHBondContact OD1-NZ 3.37Å; V399-K403 PolarHBondContact O-N 2.97Å; V399-K403 VanDerWaalsContact O-N 3.16Å; S400-K403 WeakPolarHBondContact O-CB 3.3Å; S400-K403 PolarHBondContact O-N 2.8Å; M401-K403 VanDerWaalsContact C-N 3.27Å; M401-K403 PolarHBondContact O-N 3.43Å; K403-S406 PolarHBondContact O-OG 3.13Å
404	L	93.5	Very high	91.9	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-73.6	-31.9	-176.5	-58.4	-175.1	0	0	0	113.7	M17 V21 S400 M401 S406 F407 I408	M17-L404 HydrophobicContact CB-CD1 3.87Å; M17-L404 HydrophobicContact CG-CD1 3.93Å; V21-L404 HydrophobicContact CG2-CD1 4.02Å; V21-L404 HydrophobicContact CG2-CD2 3.95Å; V21-L404 HydrophobicContact CG2-CG 3.83Å; S400-L404 PolarHBondContact O-N 3.15Å; M401-L404 PolarHBondContact O-N 2.86Å; L404-S406 PolarHBondContact O-N 3.37Å; L404-F407 PolarHBondContact O-N 2.84Å; L404-I408 HydrophobicContact CB-CD1 4.25Å; L404-I408 PolarHBondContact O-N 3.45Å
405	K	93.9	Very high	92	Very high	12 Å²	12	64.5 Å²	64.5	5%	0.052	34%	0.344	C	S	.	.	H	α-helix	trans	-56.5	-34.8	-179.7	177.4	166.4	172.6	58.7	0	112.2	L389 R390 L394 L397 M401 F407 I408 D409	L389-K405 HydrophobicContact CD2-CB 4.2Å; L389-K405 HydrophobicContact CG-CB 4.39Å; L389-K405 PolarHBondContact O-NZ 3.22Å; R390-K405 PolarHBondContact O-NZ 3.5Å; L394-K405 HydrophobicContact CD1-CD 4.09Å; L397-K405 HydrophobicContact CD1-CB 4.44Å; L397-K405 HydrophobicContact CD1-CD 3.35Å; L397-K405 HydrophobicContact CD1-CG 4.5Å; M401-K405 VanDerWaalsContact O-CB 3.26Å; M401-K405 WeakPolarHBondContact O-CB 3.29Å; M401-K405 PolarHBondContact O-N 2.88Å; K405-F407 PolarHBondContact O-N 3.33Å; K405-I408 PolarHBondContact O-N 3.45Å; K405-D409 WeakPolarHBondContact CE-OD2 3.24Å; K405-D409 WeakPolarHBondContact CG-OD2 3.5Å; K405-D409 IonicContact NZ-OD1 3.41Å; K405-D409 PolarHBondContact NZ-OD1 3.26Å; K405-D409 IonicContact NZ-OD2 2.62Å; K405-D409 PolarHBondContact NZ-OD2 2.67Å; K405-D409 WeakPolarHBondContact O-CB 3.26Å; K405-D409 VanDerWaalsContact O-CG 3.32Å; K405-D409 PolarHBondContact O-N 2.95Å
406	S	89.4	Confident	92.2	Very high	63 Å²	63	59.2 Å²	59.2	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-57.6	-34.3	177.5	72.2	0	0	0	0	114	K403 L404 K410	K403-S406 PolarHBondContact O-OG 3.13Å; L404-S406 PolarHBondContact O-N 3.37Å; S406-K410 WeakPolarHBondContact O-CD 3.49Å; S406-K410 VanDerWaalsContact O-CE 3.29Å; S406-K410 WeakPolarHBondContact O-CE 3.46Å; S406-K410 WeakPolarHBondContact O-CG 3.45Å
407	F	93.8	Very high	92.4	Very high	58 Å²	58	54.7 Å²	54.7	25%	0.254	29%	0.292	S	S	.	.	H	α-helix	trans	-79.2	-49	174.4	-179.9	-83.5	0	0	0	110.5	L30 P31 W32 L404 K405 D409 K410 L411	L30-F407 HydrophobicContact CD2-CD2 4Å; L30-F407 HydrophobicContact CD2-CE2 3.55Å; L30-F407 HydrophobicContact CD2-CZ 4.14Å; P31-F407 HydrophobicContact CG-CD1 3.69Å; P31-F407 HydrophobicContact CG-CE1 3.85Å; W32-F407 HydrophobicContact CH2-CE1 4.15Å; W32-F407 AromaticContact CH2-CZ 3.87Å; W32-F407 HydrophobicContact CH2-CZ 3.87Å; W32-F407 HydrophobicContact CZ3-CE1 4.17Å; W32-F407 HydrophobicContact CZ3-CZ 4.36Å; L404-F407 PolarHBondContact O-N 2.84Å; K405-F407 PolarHBondContact O-N 3.33Å; F407-D409 VanDerWaalsContact C-N 3.3Å; F407-D409 PolarHBondContact O-N 2.9Å; F407-K410 WeakPolarHBondContact O-CB 3.18Å; F407-K410 PolarHBondContact O-N 3.14Å; F407-L411 HydrophobicContact CE1-CD1 4.25Å; F407-L411 HydrophobicContact CE1-CD2 3.94Å; F407-L411 HydrophobicContact CE1-CG 4.26Å; F407-L411 HydrophobicContact CZ-CD2 4.43Å
408	I	95.5	Very high	92.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-36.3	-174.2	-66.3	164.1	0	0	0	111.6	P31 W386 L389 R390 L404 K405 K410 L411	P31-I408 HydrophobicContact CB-CD1 4.13Å; P31-I408 HydrophobicContact CB-CG1 4.25Å; P31-I408 HydrophobicContact CG-CG1 4.43Å; W386-I408 HydrophobicContact CB-CG2 3.9Å; W386-I408 HydrophobicContact CD2-CD1 4.18Å; W386-I408 HydrophobicContact CD2-CG1 4.17Å; W386-I408 HydrophobicContact CD2-CG2 4.31Å; W386-I408 HydrophobicContact CG-CD1 4.06Å; W386-I408 HydrophobicContact CG-CG1 4.38Å; W386-I408 HydrophobicContact CG-CG2 4.02Å; L389-I408 HydrophobicContact CD2-CD1 3.48Å; L389-I408 VanDerWaalsContact CD2-CD1 3.48Å; R390-I408 HydrophobicContact CG-CG2 3.86Å; R390-I408 PolarHBondContact NE-O 3.28Å; L404-I408 HydrophobicContact CB-CD1 4.25Å; L404-I408 PolarHBondContact O-N 3.45Å; K405-I408 PolarHBondContact O-N 3.45Å; I408-K410 PolarHBondContact O-N 3.26Å; I408-L411 WeakPolarHBondContact O-CB 3.38Å; I408-L411 PolarHBondContact O-N 3.36Å
409	D	94.5	Very high	92.4	Very high	67 Å²	67	53.8 Å²	53.8	36%	0.358	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.7	177.9	-76	-13.3	0	0	0	112.9	R390 K405 F407	R390-D409 WeakPolarHBondContact CG-OD1 3.42Å; R390-D409 PolarHBondContact NH2-O 3.35Å; K405-D409 WeakPolarHBondContact CE-OD2 3.24Å; K405-D409 WeakPolarHBondContact CG-OD2 3.5Å; K405-D409 IonicContact NZ-OD1 3.41Å; K405-D409 PolarHBondContact NZ-OD1 3.26Å; K405-D409 IonicContact NZ-OD2 2.62Å; K405-D409 PolarHBondContact NZ-OD2 2.67Å; K405-D409 WeakPolarHBondContact O-CB 3.26Å; K405-D409 VanDerWaalsContact O-CG 3.32Å; K405-D409 PolarHBondContact O-N 2.95Å; F407-D409 VanDerWaalsContact C-N 3.3Å; F407-D409 PolarHBondContact O-N 2.9Å
410	K	94.7	Very high	92.6	Very high	174 Å²	174	49.1 Å²	49.1	76%	0.757	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.2	179.4	-61.5	172.8	-176.1	173.1	0	113.9	S406 F407 I408	S406-K410 WeakPolarHBondContact O-CD 3.49Å; S406-K410 VanDerWaalsContact O-CE 3.29Å; S406-K410 WeakPolarHBondContact O-CE 3.46Å; S406-K410 WeakPolarHBondContact O-CG 3.45Å; F407-K410 WeakPolarHBondContact O-CB 3.18Å; F407-K410 PolarHBondContact O-N 3.14Å; I408-K410 PolarHBondContact O-N 3.26Å
411	L	93.4	Very high	92.7	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.12	27%	0.269	C	S	.	.	S	Bend	trans	-67.9	150.3	177.8	-65.5	177.5	0	0	0	110.6	W386 R390 F407 I408 D415 V416	W386-L411 HydrophobicContact CE3-CD1 3.8Å; W386-L411 HydrophobicContact CH2-CD1 4.5Å; W386-L411 HydrophobicContact CZ3-CD1 3.57Å; R390-L411 PolarHBondContact NH2-O 3.16Å; F407-L411 HydrophobicContact CE1-CD1 4.25Å; F407-L411 HydrophobicContact CE1-CD2 3.94Å; F407-L411 HydrophobicContact CE1-CG 4.26Å; F407-L411 HydrophobicContact CZ-CD2 4.43Å; I408-L411 WeakPolarHBondContact O-CB 3.38Å; I408-L411 PolarHBondContact O-N 3.36Å; L411-D415 HydrophobicContact CB-CB 4.01Å; L411-D415 HydrophobicContact CD2-CB 4.27Å; L411-V416 HydrophobicContact CB-CG2 4.41Å
412	S	91.7	Very high	92.8	Very high	54 Å²	54	51.2 Å²	51.2	38%	0.378	28%	0.277	S	S	.	.			trans	-69.5	162.8	167.4	65.5	0	0	0	0	110.2	D414 D415	S412-D414 PolarHBondContact O-N 3.02Å; S412-D415 WeakPolarHBondContact O-CB 3.04Å; S412-D415 PolarHBondContact O-N 3.31Å; S412-D415 VanDerWaalsContact O-N 3.07Å; S412-D415 PolarHBondContact OG-N 3Å; S412-D415 PolarHBondContact OG-OD2 2.88Å
413	D	88.3	Confident	93	Very high	127 Å²	127	47.4 Å²	47.4	68%	0.679	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63	-33.4	175.5	-69.2	-16	0	0	0	111.8	R390 D415 V416	R390-D413 IonicContact CZ-OD1 2.79Å; R390-D413 IonicContact NH1-OD1 3.83Å; R390-D413 PolarHBondContact NH1-OD1 3.47Å; D413-D415 PolarHBondContact O-N 2.83Å; D413-V416 PolarHBondContact O-N 3.43Å; D413-V416 VanDerWaalsContact O-N 3.12Å
414	D	86.6	Confident	93.3	Very high	130 Å²	130	44.7 Å²	44.7	70%	0.695	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-65.4	-24.4	174	-61.8	-33	0	0	0	113.3	S412 V416	S412-D414 PolarHBondContact O-N 3.02Å; D414-V416 VanDerWaalsContact C-N 3.32Å
415	D	90.1	Very high	93.5	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.171	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-83.4	-9.1	177.1	-77.8	-28.2	0	0	0	112.4	L411 S412 D413 K494 Q500	L411-D415 HydrophobicContact CB-CB 4.01Å; L411-D415 HydrophobicContact CD2-CB 4.27Å; S412-D415 WeakPolarHBondContact O-CB 3.04Å; S412-D415 PolarHBondContact O-N 3.31Å; S412-D415 VanDerWaalsContact O-N 3.07Å; S412-D415 PolarHBondContact OG-N 3Å; S412-D415 PolarHBondContact OG-OD2 2.88Å; D413-D415 PolarHBondContact O-N 2.83Å; D415-K494 IonicContact OD1-NZ 3.89Å; D415-K494 PolarHBondContact OD1-NZ 3.28Å; D415-K494 IonicContact OD2-NZ 3.86Å; D415-K494 PolarHBondContact OD2-NZ 2.81Å; D415-Q500 PolarHBondContact O-NE2 3.35Å
416	V	94.2	Very high	93.6	Very high	24 Å²	24	44 Å²	44	15%	0.145	25%	0.246	C	C	.	.	S	Bend	trans	-101.5	94.5	173.9	-179.2	0	0	0	0	108.9	W386 K387 L411 D413 D414	W386-V416 HydrophobicContact CB-CG1 3.92Å; K387-V416 HydrophobicContact CB-CG1 4Å; L411-V416 HydrophobicContact CB-CG2 4.41Å; D413-V416 PolarHBondContact O-N 3.43Å; D413-V416 VanDerWaalsContact O-N 3.12Å; D414-V416 VanDerWaalsContact C-N 3.32Å
417	I	94.1	Very high	94	Very high	24 Å²	24	41 Å²	41	12%	0.123	23%	0.225	C	C	.	.			trans	-95.7	154.1	-165.4	66.2	171.1	0	0	0	113.2	Y383 D497 Q500 R501	Y383-I417 HydrophobicContact CD2-CD1 4.06Å; Y383-I417 HydrophobicContact CD2-CG1 4.06Å; Y383-I417 PolarHBondContact N-O 3.2Å; I417-D497 HydrophobicContact CD1-CB 4.2Å; I417-D497 WeakPolarHBondContact CD1-OD2 3.46Å; I417-Q500 HydrophobicContact CD1-CB 3.95Å; I417-Q500 HydrophobicContact CG1-CB 3.74Å; I417-Q500 HydrophobicContact CG1-CG 4.36Å; I417-R501 HydrophobicContact CD1-CG 3.79Å
418	G	92.1	Very high	94	Very high	35 Å²	35	38.3 Å²	38.3	36%	0.361	21%	0.213	S	C	.	.			trans	-170.4	177.5	167.1	0	0	0	0	0	109.8	E381	E381-G418 WeakPolarHBondContact O-CA 3.39Å
419	G	93.2	Very high	93.9	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	21%	0.213	C	C	.	.			trans	178.8	95.8	-174.3	0	0	0	0	0	110.7	I380 Y383 N421 I422 S423	I380-G419 CarbonylContact O-C 3.46Å; I380-G419 PolarHBondContact O-N 3.19Å; Y383-G419 PolarHBondContact OH-O 2.9Å; G419-N421 VanDerWaalsContact C-N 3.29Å; G419-N421 PolarHBondContact O-N 3.21Å; G419-I422 PolarHBondContact O-N 2.91Å; G419-S423 PolarHBondContact O-N 3.2Å; G419-S423 PolarHBondContact O-OG 3.16Å
420	P	94.3	Very high	93.8	Very high	26 Å²	26	35.1 Å²	35.1	17%	0.169	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-39.3	-173.3	18.4	-28.8	0	0	0	112.6	I379 E381 S423 W424	I379-P420 HydrophobicContact CB-CB 4.37Å; I379-P420 HydrophobicContact CG2-CB 3.4Å; I379-P420 VanDerWaalsContact CG2-CB 3.4Å; E381-P420 HydrophobicContact CG-CB 4.45Å; E381-P420 HydrophobicContact CG-CG 4.08Å; P420-S423 PolarHBondContact O-OG 3.22Å; P420-W424 WeakPolarHBondContact O-CB 3.5Å; P420-W424 PolarHBondContact O-N 3.07Å
421	N	94.9	Very high	93.6	Very high	38 Å²	38	26.9 Å²	26.9	20%	0.203	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-34.6	177.5	-61	-29.2	0	0	0	111.5	H305 G419 L425	H305-N421 PolarHBondContact CD2-ND2 3.38Å; H305-N421 PolarHBondContact CD2-OD1 3.47Å; H305-N421 VanDerWaalsContact CD2-OD1 3.27Å; H305-N421 PolarHBondContact CE1-ND2 2.89Å; H305-N421 VanDerWaalsContact CE1-ND2 3.3Å; H305-N421 PolarHBondContact NE2-ND2 2.87Å; H305-N421 VanDerWaalsContact NE2-ND2 3.13Å; G419-N421 VanDerWaalsContact C-N 3.29Å; G419-N421 PolarHBondContact O-N 3.21Å; N421-L425 VanDerWaalsContact O-CB 3.26Å; N421-L425 WeakPolarHBondContact O-CB 3.27Å; N421-L425 PolarHBondContact O-N 3.02Å
422	I	96.5	Very high	93.3	Very high	39 Å²	39	26.2 Å²	26.2	20%	0.2	16%	0.156	C	C	.	.	H	α-helix	trans	-73.8	-46.2	-178.5	-59.2	175.1	0	0	0	110.7	G419 W424 L425 A426 L546 I549	G419-I422 PolarHBondContact O-N 2.91Å; I422-W424 VanDerWaalsContact C-N 3.32Å; I422-W424 PolarHBondContact O-N 2.02Å; I422-L425 PolarHBondContact O-N 2.92Å; I422-A426 WeakPolarHBondContact O-CB 3.38Å; I422-A426 PolarHBondContact O-N 2.82Å; I422-L546 HydrophobicContact CG2-CD2 4Å; I422-I549 HydrophobicContact CB-CG2 4.22Å; I422-I549 HydrophobicContact CG1-CG2 3.99Å; I422-I549 HydrophobicContact CG2-CB 4Å; I422-I549 HydrophobicContact CG2-CG2 3.9Å
423	S	97.7	Very high	93.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-43.8	179.3	54.8	0	0	0	0	111.3	L378 I380 Y383 G419 P420 F427	L378-S423 WeakPolarHBondContact O-CB 3.45Å; L378-S423 PolarHBondContact O-OG 3.48Å; I380-S423 PolarHBondContact N-OG 2.89Å; Y383-S423 PolarHBondContact OH-N 3Å; G419-S423 PolarHBondContact O-N 3.2Å; G419-S423 PolarHBondContact O-OG 3.16Å; P420-S423 PolarHBondContact O-OG 3.22Å; S423-F427 PolarHBondContact O-N 3.23Å; S423-F427 VanDerWaalsContact O-N 3.15Å
424	W	96.8	Very high	93	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-44.2	178.4	-166.9	2	0	0	0	111.8	R303 L304 L309 Y314 E371 V375 L378 I379 P420 I422 A426 F427 A428	R303-W424 HydrophobicContact CB-CD2 4.18Å; R303-W424 HydrophobicContact CB-CE3 4.48Å; R303-W424 HydrophobicContact CB-CG 4.33Å; R303-W424 HydrophobicContact CG-CD2 4.19Å; R303-W424 HydrophobicContact CG-CG 4.06Å; L304-W424 WeakPolarHBondContact O-CZ3 3.36Å; L309-W424 HydrophobicContact CD1-CH2 3.9Å; L309-W424 HydrophobicContact CD1-CZ3 4.07Å; L309-W424 HydrophobicContact CD2-CH2 3.85Å; L309-W424 HydrophobicContact CD2-CZ3 4.36Å; L309-W424 HydrophobicContact CG-CH2 4.42Å; Y314-W424 HydrophobicContact CE2-CH2 4.42Å; Y314-W424 AromaticContact CE2-CZ2 3.97Å; Y314-W424 HydrophobicContact CE2-CZ2 3.97Å; E371-W424 VanDerWaalsContact CD-NE1 3.25Å; E371-W424 PolarHBondContact OE1-NE1 3.24Å; E371-W424 PolarHBondContact OE2-NE1 3.02Å; V375-W424 HydrophobicContact CB-CH2 4.4Å; V375-W424 HydrophobicContact CB-CZ2 4.27Å; V375-W424 HydrophobicContact CG1-CE3 4.44Å; V375-W424 HydrophobicContact CG1-CH2 3.28Å; V375-W424 HydrophobicContact CG1-CZ2 3.57Å; V375-W424 HydrophobicContact CG1-CZ3 3.78Å; V375-W424 HydrophobicContact CG2-CH2 4.25Å; V375-W424 HydrophobicContact CG2-CZ2 3.8Å; L378-W424 HydrophobicContact CB-CB 4.33Å; L378-W424 HydrophobicContact CB-CG 4.13Å; I379-W424 HydrophobicContact CG1-CE3 4.12Å; I379-W424 HydrophobicContact CG1-CZ3 4.43Å; P420-W424 WeakPolarHBondContact O-CB 3.5Å; P420-W424 PolarHBondContact O-N 3.07Å; I422-W424 VanDerWaalsContact C-N 3.32Å; I422-W424 PolarHBondContact O-N 2.02Å; W424-A426 PolarHBondContact O-N 3.26Å; W424-F427 WeakPolarHBondContact O-CB 3.42Å; W424-F427 PolarHBondContact O-N 3.39Å; W424-A428 VanDerWaalsContact O-CB 3.3Å; W424-A428 WeakPolarHBondContact O-CB 3.48Å; W424-A428 PolarHBondContact O-N 3.2Å
425	L	97.2	Very high	93.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.4	-37.4	177.8	-177.2	60.7	0	0	0	112.3	N421 I422 F427 A428 L429 I549 T597 L599	N421-L425 VanDerWaalsContact O-CB 3.26Å; N421-L425 WeakPolarHBondContact O-CB 3.27Å; N421-L425 PolarHBondContact O-N 3.02Å; I422-L425 PolarHBondContact O-N 2.92Å; L425-F427 PolarHBondContact O-N 3.42Å; L425-A428 HydrophobicContact CD1-CB 4.46Å; L425-A428 WeakPolarHBondContact O-CB 3.37Å; L425-A428 PolarHBondContact O-N 2.8Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.3Å; L425-L429 PolarHBondContact O-N 3.32Å; L425-I549 HydrophobicContact CB-CD1 3.9Å; L425-I549 HydrophobicContact CD2-CD1 4.08Å; L425-I549 HydrophobicContact CD2-CG1 4.12Å; L425-I549 HydrophobicContact CD2-CG2 3.99Å; L425-I549 HydrophobicContact CG-CD1 3.76Å; L425-I549 HydrophobicContact CG-CG1 4.32Å; L425-T597 HydrophobicContact CD2-CG2 3.9Å; L425-L599 HydrophobicContact CD2-CB 4.33Å
426	A	97.4	Very high	92.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-44.1	176.4	0	0	0	0	0	112	I422 W424 A428 L429 I542 H545 L546 I549	I422-A426 WeakPolarHBondContact O-CB 3.38Å; I422-A426 PolarHBondContact O-N 2.82Å; W424-A426 PolarHBondContact O-N 3.26Å; A426-A428 VanDerWaalsContact C-N 3.35Å; A426-L429 PolarHBondContact O-N 2.89Å; A426-I542 HydrophobicContact CB-CG2 4.45Å; A426-H545 HydrophobicContact CB-CB 4.03Å; A426-L546 HydrophobicContact CB-CD2 3.6Å; A426-L546 HydrophobicContact CB-CG 3.81Å; A426-I549 HydrophobicContact CB-CD1 3.79Å; A426-I549 VanDerWaalsContact N-CD1 3.3Å
427	F	96.9	Very high	92.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.9	-47.7	172.3	-178.1	-86.7	0	0	0	111.3	E371 L378 S423 W424 L425 L429 L430 T431 L508 C511 L512	E371-F427 HydrophobicContact CG-CD1 4.05Å; E371-F427 HydrophobicContact CG-CE1 3.66Å; L378-F427 HydrophobicContact CD1-CD1 3.72Å; L378-F427 HydrophobicContact CD1-CE1 3.84Å; L378-F427 HydrophobicContact CD1-CG 4.17Å; L378-F427 HydrophobicContact CD1-CZ 4.37Å; L378-F427 HydrophobicContact CD2-CB 4.45Å; L378-F427 HydrophobicContact CD2-CD1 4.19Å; L378-F427 HydrophobicContact CD2-CD2 3.66Å; L378-F427 HydrophobicContact CD2-CE1 4.33Å; L378-F427 HydrophobicContact CD2-CE2 3.8Å; L378-F427 HydrophobicContact CD2-CG 3.86Å; L378-F427 HydrophobicContact CD2-CZ 4.15Å; S423-F427 PolarHBondContact O-N 3.23Å; S423-F427 VanDerWaalsContact O-N 3.15Å; W424-F427 WeakPolarHBondContact O-CB 3.42Å; W424-F427 PolarHBondContact O-N 3.39Å; L425-F427 PolarHBondContact O-N 3.42Å; F427-L429 VanDerWaalsContact C-N 3.33Å; F427-L429 PolarHBondContact O-N 2.96Å; F427-L430 PolarHBondContact O-N 3.44Å; F427-T431 HydrophobicContact CD1-CG2 3.67Å; F427-T431 HydrophobicContact CE1-CG2 3.33Å; F427-T431 HydrophobicContact CZ-CG2 3.98Å; F427-T431 WeakPolarHBondContact O-CG2 3.39Å; F427-T431 PolarHBondContact O-N 3.08Å; F427-T431 VanDerWaalsContact O-N 3.11Å; F427-L508 HydrophobicContact CD2-CB 4.38Å; F427-L508 HydrophobicContact CD2-CD2 4.33Å; F427-L508 WeakPolarHBondContact CE2-O 3.37Å; F427-C511 HydrophobicContact CE2-CB 4.02Å; F427-L512 HydrophobicContact CD2-CB 4.36Å; F427-L512 HydrophobicContact CD2-CD1 4.41Å; F427-L512 HydrophobicContact CE1-CD1 4.17Å; F427-L512 HydrophobicContact CE2-CB 3.59Å; F427-L512 HydrophobicContact CE2-CD1 3.74Å; F427-L512 HydrophobicContact CE2-CG 4.25Å; F427-L512 HydrophobicContact CZ-CB 4.15Å; F427-L512 HydrophobicContact CZ-CD1 3.59Å; F427-L512 HydrophobicContact CZ-CG 4.48Å
428	A	94.9	Very high	92.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-40.8	-178.9	0	0	0	0	0	113.3	R303 W424 L425 A426 L430 T431 K432	R303-A428 HydrophobicContact CG-CB 3.84Å; W424-A428 VanDerWaalsContact O-CB 3.3Å; W424-A428 WeakPolarHBondContact O-CB 3.48Å; W424-A428 PolarHBondContact O-N 3.2Å; L425-A428 HydrophobicContact CD1-CB 4.46Å; L425-A428 WeakPolarHBondContact O-CB 3.37Å; L425-A428 PolarHBondContact O-N 2.8Å; A426-A428 VanDerWaalsContact C-N 3.35Å; A428-L430 VanDerWaalsContact C-N 3.29Å; A428-L430 PolarHBondContact O-N 3.45Å; A428-T431 WeakPolarHBondContact CA-OG1 3.02Å; A428-T431 PolarHBondContact O-N 3.38Å; A428-T431 PolarHBondContact O-OG1 2.88Å; A428-K432 WeakPolarHBondContact O-CB 3.41Å; A428-K432 PolarHBondContact O-N 2.94Å; A428-K432 VanDerWaalsContact O-N 3.1Å
429	L	93.5	Very high	92	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-56.6	-45.3	177.6	-71.7	169.1	0	0	0	111	Y300 L425 A426 F427 K432 T433 H545 I549 L599	Y300-L429 HydrophobicContact CD1-CD2 3.42Å; Y300-L429 VanDerWaalsContact CD1-CD2 3.42Å; Y300-L429 HydrophobicContact CE1-CD2 3.99Å; Y300-L429 HydrophobicContact CG-CD2 4.49Å; L425-L429 VanDerWaalsContact O-CG 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.3Å; L425-L429 PolarHBondContact O-N 3.32Å; A426-L429 PolarHBondContact O-N 2.89Å; F427-L429 VanDerWaalsContact C-N 3.33Å; F427-L429 PolarHBondContact O-N 2.96Å; L429-K432 PolarHBondContact O-N 2.84Å; L429-T433 PolarHBondContact O-OG1 2.77Å; L429-T433 VanDerWaalsContact O-OG1 3.1Å; L429-H545 HydrophobicContact CD1-CB 3.8Å; L429-H545 VanDerWaalsContact CD1-CG 3.48Å; L429-I549 HydrophobicContact CD1-CD1 3.75Å; L429-I549 HydrophobicContact CD1-CG1 4.12Å; L429-L599 HydrophobicContact CD1-CD2 3.63Å; L429-L599 HydrophobicContact CD2-CB 4.43Å; L429-L599 HydrophobicContact CD2-CD2 4.1Å
430	L	91.7	Very high	91.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.7	-42	-179.8	-167.8	64.1	0	0	0	112.6	F427 A428 K432 T433 L438 L512 L533 A538 C541 I542	F427-L430 PolarHBondContact O-N 3.44Å; A428-L430 VanDerWaalsContact C-N 3.29Å; A428-L430 PolarHBondContact O-N 3.45Å; L430-K432 PolarHBondContact O-N 3.43Å; L430-K432 VanDerWaalsContact O-N 3.15Å; L430-T433 PolarHBondContact O-N 2.94Å; L430-L438 HydrophobicContact CD1-CD1 3.33Å; L430-L512 HydrophobicContact CD2-CD2 3.31Å; L430-L512 HydrophobicContact CG-CD2 4Å; L430-L533 HydrophobicContact CD1-CD2 4.3Å; L430-A538 HydrophobicContact CD2-CB 3.92Å; L430-A538 WeakPolarHBondContact CD2-O 3.4Å; L430-C541 HydrophobicContact CD1-CB 3.88Å; L430-I542 HydrophobicContact CB-CG1 4.21Å; L430-I542 HydrophobicContact CD2-CD1 3.7Å; L430-I542 HydrophobicContact CD2-CG1 3.66Å
431	T	90.1	Very high	91.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-24.8	176.8	63.2	0	0	0	0	113.4	F370 F427 A428 T433 L512	F370-T431 HydrophobicContact CB-CG2 3.64Å; F370-T431 HydrophobicContact CD2-CG2 4.25Å; F370-T431 HydrophobicContact CG-CG2 4.25Å; F427-T431 HydrophobicContact CD1-CG2 3.67Å; F427-T431 HydrophobicContact CE1-CG2 3.33Å; F427-T431 HydrophobicContact CZ-CG2 3.98Å; F427-T431 WeakPolarHBondContact O-CG2 3.39Å; F427-T431 PolarHBondContact O-N 3.08Å; F427-T431 VanDerWaalsContact O-N 3.11Å; A428-T431 WeakPolarHBondContact CA-OG1 3.02Å; A428-T431 PolarHBondContact O-N 3.38Å; A428-T431 PolarHBondContact O-OG1 2.88Å; T431-T433 VanDerWaalsContact C-N 3.33Å; T431-L512 HydrophobicContact CG2-CD1 3.36Å
432	K	86.8	Confident	90.8	Very high	10 Å²	10	14.3 Å²	14.3	4%	0.043	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.4	177.6	-149.4	-154.3	115.8	168.7	0	113	Y300 W348 L363 A428 L429 L430	Y300-K432 HydrophobicContact CE1-CD 4.42Å; Y300-K432 WeakPolarHBondContact O-CD 3.48Å; Y300-K432 WeakPolarHBondContact O-CE 3.29Å; Y300-K432 PolarHBondContact O-NZ 3.16Å; W348-K432 VanDerWaalsContact CH2-C 3.43Å; W348-K432 WeakPolarHBondContact CH2-O 3.46Å; W348-K432 VanDerWaalsContact CZ2-O 3.26Å; W348-K432 WeakPolarHBondContact CZ2-O 3.42Å; L363-K432 VanDerWaalsContact O-CD 3.25Å; L363-K432 WeakPolarHBondContact O-CD 3.26Å; L363-K432 WeakPolarHBondContact O-CE 3.38Å; L363-K432 PolarHBondContact O-NZ 3.04Å; A428-K432 WeakPolarHBondContact O-CB 3.41Å; A428-K432 PolarHBondContact O-N 2.94Å; A428-K432 VanDerWaalsContact O-N 3.1Å; L429-K432 PolarHBondContact O-N 2.84Å; L430-K432 PolarHBondContact O-N 3.43Å; L430-K432 VanDerWaalsContact O-N 3.15Å
433	T	88	Confident	90.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-120.2	131.8	174.3	-45	0	0	0	0	109.9	Y300 L429 L430 T431 I437 L438 Y480 Y517	Y300-T433 PolarHBondContact OH-OG1 3.44Å; L429-T433 PolarHBondContact O-OG1 2.77Å; L429-T433 VanDerWaalsContact O-OG1 3.1Å; L430-T433 PolarHBondContact O-N 2.94Å; T431-T433 VanDerWaalsContact C-N 3.33Å; T433-I437 HydrophobicContact CG2-CB 4.09Å; T433-I437 HydrophobicContact CG2-CG2 3.81Å; T433-L438 HydrophobicContact CG2-CD1 4.13Å; T433-L438 HydrophobicContact CG2-CD2 3.88Å; T433-L438 HydrophobicContact CG2-CG 3.74Å; T433-Y480 HydrophobicContact CG2-CD2 3.95Å; T433-Y480 HydrophobicContact CG2-CG 3.88Å; T433-Y480 WeakPolarHBondContact OG1-CD2 3.3Å; T433-Y517 PolarHBondContact O-OH 3.03Å
434	A	86.8	Confident	89.4	Confident	3 Å²	3	19.4 Å²	19.4	3%	0.025	9%	0.09	C	C	.	.			trans	-65.9	139.7	178	0	0	0	0	0	111.1	W348 N436 I437 L438	W348-A434 HydrophobicContact CB-CB 4.26Å; W348-A434 HydrophobicContact CD2-CB 3.55Å; W348-A434 HydrophobicContact CE3-CB 3.37Å; W348-A434 HydrophobicContact CG-CB 3.98Å; W348-A434 HydrophobicContact CZ3-CB 3.9Å; A434-N436 WeakPolarHBondContact CB-OD1 3.27Å; A434-N436 PolarHBondContact O-N 3.49Å; A434-I437 HydrophobicContact CB-CD1 3.9Å; A434-I437 HydrophobicContact CB-CG1 4.12Å; A434-I437 WeakPolarHBondContact O-CB 3.35Å; A434-I437 PolarHBondContact O-N 3.32Å; A434-I437 VanDerWaalsContact O-N 3.12Å; A434-L438 PolarHBondContact O-N 3.41Å
435	P	87.8	Confident	88.6	Confident	5 Å²	5	19.4 Å²	19.4	3%	0.032	9%	0.091	C	C	.	.	H	α-helix	trans	-54.8	-36.8	177.5	-28.7	34.8	0	0	0	114.2	I437 L438 N439 Y517 P518 C531 L533	P435-I437 PolarHBondContact O-N 3.24Å; P435-L438 PolarHBondContact O-N 3.17Å; P435-N439 WeakPolarHBondContact O-CB 3.32Å; P435-N439 VanDerWaalsContact O-CG 3.32Å; P435-N439 PolarHBondContact O-N 3.16Å; P435-N439 PolarHBondContact O-ND2 3.2Å; P435-Y517 HydrophobicContact CG-CE1 4.01Å; P435-P518 HydrophobicContact CG-CB 4.07Å; P435-P518 HydrophobicContact CG-CG 4.09Å; P435-C531 WeakPolarHBondContact CB-O 3.36Å; P435-L533 HydrophobicContact CB-CB 4.21Å
436	N	84.5	Confident	87.8	Confident	83 Å²	83	22.8 Å²	22.8	44%	0.444	11%	0.108	S	C	.	.	H	α-helix	trans	-66.7	-34.6	179.8	63.7	-43.4	0	0	0	113	A434 R440 N530	A434-N436 WeakPolarHBondContact CB-OD1 3.27Å; A434-N436 PolarHBondContact O-N 3.49Å; N436-R440 WeakPolarHBondContact O-CB 3.37Å; N436-R440 PolarHBondContact O-N 3.16Å; N436-N530 VanDerWaalsContact CA-O 3.26Å; N436-N530 WeakPolarHBondContact CA-O 3.5Å; N436-N530 WeakPolarHBondContact CB-O 3.42Å; N436-N530 PolarHBondContact N-O 2.6Å
437	I	86.7	Confident	86.6	Confident	39 Å²	39	27.9 Å²	27.9	20%	0.2	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-52	173.8	-70.5	170.5	0	0	0	108.9	T433 A434 P435 N439 R440 L441 D478	T433-I437 HydrophobicContact CG2-CB 4.09Å; T433-I437 HydrophobicContact CG2-CG2 3.81Å; A434-I437 HydrophobicContact CB-CD1 3.9Å; A434-I437 HydrophobicContact CB-CG1 4.12Å; A434-I437 WeakPolarHBondContact O-CB 3.35Å; A434-I437 PolarHBondContact O-N 3.32Å; A434-I437 VanDerWaalsContact O-N 3.12Å; P435-I437 PolarHBondContact O-N 3.24Å; I437-N439 PolarHBondContact O-N 3.4Å; I437-R440 WeakPolarHBondContact O-CB 3.26Å; I437-R440 PolarHBondContact O-N 3.4Å; I437-R440 VanDerWaalsContact O-N 3.14Å; I437-L441 HydrophobicContact CG2-CD1 4.21Å; I437-L441 WeakPolarHBondContact O-CG 3.39Å; I437-L441 PolarHBondContact O-N 3.08Å; I437-L441 VanDerWaalsContact O-N 3.13Å; I437-D478 HydrophobicContact CG2-CB 3.96Å
438	L	88.7	Confident	85.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-43.4	-179.1	-63.8	168	0	0	0	112	L430 T433 A434 P435 R440 L441 I442 Y480 L533	L430-L438 HydrophobicContact CD1-CD1 3.33Å; T433-L438 HydrophobicContact CG2-CD1 4.13Å; T433-L438 HydrophobicContact CG2-CD2 3.88Å; T433-L438 HydrophobicContact CG2-CG 3.74Å; A434-L438 PolarHBondContact O-N 3.41Å; P435-L438 PolarHBondContact O-N 3.17Å; L438-R440 VanDerWaalsContact C-N 3.26Å; L438-R440 PolarHBondContact O-N 3.42Å; L438-L441 PolarHBondContact O-N 2.79Å; L438-I442 WeakPolarHBondContact O-CB 3.34Å; L438-I442 WeakPolarHBondContact O-CD1 3.34Å; L438-I442 WeakPolarHBondContact O-CG1 3.35Å; L438-I442 PolarHBondContact O-N 3.47Å; L438-Y480 HydrophobicContact CD2-CD1 3.86Å; L438-Y480 HydrophobicContact CD2-CE1 3.55Å; L438-Y480 HydrophobicContact CD2-CE2 4.46Å; L438-Y480 HydrophobicContact CD2-CG 4.42Å; L438-L533 HydrophobicContact CB-CD1 3.81Å; L438-L533 HydrophobicContact CB-CD2 4.42Å; L438-L533 HydrophobicContact CD1-CD1 4.49Å; L438-L533 HydrophobicContact CD1-CD2 3.62Å
439	N	87.4	Confident	83.6	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-37.2	174.8	-79	-31.2	0	0	0	112.5	P435 I437 K443 N530 T532	P435-N439 WeakPolarHBondContact O-CB 3.32Å; P435-N439 VanDerWaalsContact O-CG 3.32Å; P435-N439 PolarHBondContact O-N 3.16Å; P435-N439 PolarHBondContact O-ND2 3.2Å; I437-N439 PolarHBondContact O-N 3.4Å; N439-K443 WeakPolarHBondContact O-CB 3.12Å; N439-K443 VanDerWaalsContact O-CG 3.28Å; N439-K443 WeakPolarHBondContact O-CG 3.03Å; N439-K443 PolarHBondContact O-N 3.28Å; N439-N530 PolarHBondContact ND2-O 3.49Å; N439-T532 PolarHBondContact ND2-O 3Å
440	R	85.2	Confident	82	Confident	103 Å²	103	40.8 Å²	40.8	39%	0.389	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-49.8	175	-171.7	176.5	85.3	-168.5	14.8	111.1	N436 I437 L438 I442 K443 I444 E461 D478	N436-R440 WeakPolarHBondContact O-CB 3.37Å; N436-R440 PolarHBondContact O-N 3.16Å; I437-R440 WeakPolarHBondContact O-CB 3.26Å; I437-R440 PolarHBondContact O-N 3.4Å; I437-R440 VanDerWaalsContact O-N 3.14Å; L438-R440 VanDerWaalsContact C-N 3.26Å; L438-R440 PolarHBondContact O-N 3.42Å; R440-I442 VanDerWaalsContact C-N 3.33Å; R440-I442 PolarHBondContact O-N 3.46Å; R440-K443 PolarHBondContact O-N 3.17Å; R440-I444 HydrophobicContact CG-CD1 4.17Å; R440-I444 WeakPolarHBondContact O-CG1 3.49Å; R440-I444 PolarHBondContact O-N 3.4Å; R440-I444 VanDerWaalsContact O-N 3.08Å; R440-E461 IonicContact CZ-OE2 3.65Å; R440-E461 IonicContact NE-OE2 3.75Å; R440-E461 PolarHBondContact NE-OE2 3.3Å; R440-E461 IonicContact NH2-OE1 3.48Å; R440-E461 PolarHBondContact NH2-OE1 3.49Å; R440-E461 IonicContact NH2-OE2 3.51Å; R440-E461 PolarHBondContact NH2-OE2 2.89Å; R440-D478 VanDerWaalsContact CZ-CG 3.47Å; R440-D478 IonicContact CZ-OD1 2.77Å; R440-D478 VanDerWaalsContact CZ-OD1 3.27Å; R440-D478 IonicContact CZ-OD2 3.53Å; R440-D478 IonicContact NE-OD2 3.17Å; R440-D478 PolarHBondContact NE-OD2 3.41Å; R440-D478 IonicContact NH1-OD1 3.79Å; R440-D478 PolarHBondContact NH1-OD1 3.21Å; R440-D478 IonicContact NH1-OD2 2.77Å; R440-D478 IonicContact NH2-OD1 3.33Å; R440-D478 PolarHBondContact NH2-OD1 2.73Å; R440-D478 IonicContact NH2-OD2 2.73Å; R440-D478 PolarHBondContact NH2-OD2 3.28Å
441	L	86.1	Confident	80.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-39.2	-180	-59.1	172.2	0	0	0	111.9	I437 L438 I444 S445 E461 L463 Y480 T481	I437-L441 HydrophobicContact CG2-CD1 4.21Å; I437-L441 WeakPolarHBondContact O-CG 3.39Å; I437-L441 PolarHBondContact O-N 3.08Å; I437-L441 VanDerWaalsContact O-N 3.13Å; L438-L441 PolarHBondContact O-N 2.79Å; L441-I444 PolarHBondContact O-N 2.75Å; L441-S445 WeakPolarHBondContact O-CB 3.28Å; L441-S445 PolarHBondContact O-N 3.26Å; L441-S445 PolarHBondContact O-OG 3.36Å; L441-E461 HydrophobicContact CD2-CB 3.53Å; L441-E461 HydrophobicContact CD2-CG 4.3Å; L441-L463 HydrophobicContact CB-CD1 4.29Å; L441-L463 HydrophobicContact CB-CD2 3.66Å; L441-L463 HydrophobicContact CB-CG 3.6Å; L441-L463 HydrophobicContact CD1-CD2 3.68Å; L441-L463 HydrophobicContact CG-CD2 4.3Å; L441-Y480 HydrophobicContact CD1-CD1 3.69Å; L441-Y480 HydrophobicContact CD1-CE1 4.31Å; L441-T481 HydrophobicContact CD1-CG2 4.4Å; L441-T481 HydrophobicContact CD2-CG2 4.06Å
442	I	86.6	Confident	78.3	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-50.9	174	-67.9	159.3	0	0	0	110.8	L438 R440 I444 S445 L446 L463 L533 W537	L438-I442 WeakPolarHBondContact O-CB 3.34Å; L438-I442 WeakPolarHBondContact O-CD1 3.34Å; L438-I442 WeakPolarHBondContact O-CG1 3.35Å; L438-I442 PolarHBondContact O-N 3.47Å; R440-I442 VanDerWaalsContact C-N 3.33Å; R440-I442 PolarHBondContact O-N 3.46Å; I442-I444 VanDerWaalsContact C-N 3.33Å; I442-I444 PolarHBondContact O-N 3.48Å; I442-S445 WeakPolarHBondContact O-CB 3.36Å; I442-S445 PolarHBondContact O-N 3.24Å; I442-S445 VanDerWaalsContact O-N 3.15Å; I442-L446 HydrophobicContact CG2-CD1 3.75Å; I442-L446 HydrophobicContact CG2-CG 4.29Å; I442-L446 WeakPolarHBondContact O-CG 3.39Å; I442-L446 PolarHBondContact O-N 3.39Å; I442-L463 HydrophobicContact CB-CD1 4.45Å; I442-L463 HydrophobicContact CD1-CD1 4.41Å; I442-L463 HydrophobicContact CG1-CD1 3.43Å; I442-L463 VanDerWaalsContact CG1-CD1 3.43Å; I442-L533 HydrophobicContact CD1-CD1 3.69Å; I442-W537 HydrophobicContact CD1-CB 3.53Å; I442-W537 HydrophobicContact CD1-CD2 3.8Å; I442-W537 HydrophobicContact CD1-CE3 4.19Å; I442-W537 HydrophobicContact CD1-CG 3.51Å; I442-W537 HydrophobicContact CG1-CB 4.48Å; I442-W537 HydrophobicContact CG1-CD2 3.86Å; I442-W537 HydrophobicContact CG1-CE3 3.89Å; I442-W537 HydrophobicContact CG1-CG 4.13Å; I442-W537 HydrophobicContact CG1-CZ3 4.36Å; I442-W537 HydrophobicContact CG2-CD2 3.91Å; I442-W537 VanDerWaalsContact CG2-CE2 3.48Å; I442-W537 HydrophobicContact CG2-CE3 4.39Å; I442-W537 HydrophobicContact CG2-CG 4.36Å; I442-W537 HydrophobicContact CG2-CH2 4.11Å; I442-W537 HydrophobicContact CG2-CZ2 3.62Å; I442-W537 HydrophobicContact CG2-CZ3 4.48Å
443	K	84.2	Confident	76.4	Confident	105 Å²	105	58.8 Å²	58.8	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-43.3	-179.7	-76.3	172.3	179.7	178.1	0	111.9	N439 R440 S445 L446 N447 N530	N439-K443 WeakPolarHBondContact O-CB 3.12Å; N439-K443 VanDerWaalsContact O-CG 3.28Å; N439-K443 WeakPolarHBondContact O-CG 3.03Å; N439-K443 PolarHBondContact O-N 3.28Å; R440-K443 PolarHBondContact O-N 3.17Å; K443-S445 VanDerWaalsContact C-N 3.32Å; K443-S445 PolarHBondContact O-N 3.15Å; K443-L446 PolarHBondContact O-N 3.18Å; K443-N447 WeakPolarHBondContact O-CB 3.5Å; K443-N447 VanDerWaalsContact O-CG 3.28Å; K443-N447 PolarHBondContact O-N 3.4Å; K443-N447 PolarHBondContact O-ND2 2.64Å; K443-N530 PolarHBondContact NZ-OD1 3.04Å
444	I	80	Confident	74.4	Confident	41 Å²	41	65.2 Å²	65.2	21%	0.21	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-44.1	177.2	-64.6	165.3	0	0	0	110.6	R440 L441 I442 K448 K460 E461	R440-I444 HydrophobicContact CG-CD1 4.17Å; R440-I444 WeakPolarHBondContact O-CG1 3.49Å; R440-I444 PolarHBondContact O-N 3.4Å; R440-I444 VanDerWaalsContact O-N 3.08Å; L441-I444 PolarHBondContact O-N 2.75Å; I442-I444 VanDerWaalsContact C-N 3.33Å; I442-I444 PolarHBondContact O-N 3.48Å; I444-K448 PolarHBondContact O-N 3.44Å; I444-K460 HydrophobicContact CG2-CB 4.15Å; I444-K460 HydrophobicContact CG2-CD 4.46Å; I444-E461 WeakPolarHBondContact CB-O 2.97Å; I444-E461 HydrophobicContact CD1-CB 4.15Å; I444-E461 WeakPolarHBondContact CG2-O 3.42Å
445	S	79.4	Confident	72.4	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.014	38%	0.381	C	S	.	.	H	α-helix	trans	-64.9	-41.5	-179.5	-53.3	0	0	0	0	112	L441 I442 K443 L463	L441-S445 WeakPolarHBondContact O-CB 3.28Å; L441-S445 PolarHBondContact O-N 3.26Å; L441-S445 PolarHBondContact O-OG 3.36Å; I442-S445 WeakPolarHBondContact O-CB 3.36Å; I442-S445 PolarHBondContact O-N 3.24Å; I442-S445 VanDerWaalsContact O-N 3.15Å; K443-S445 VanDerWaalsContact C-N 3.32Å; K443-S445 PolarHBondContact O-N 3.15Å; S445-L463 PolarHBondContact OG-N 2.82Å
446	L	80.3	Confident	70.3	Confident	71 Å²	71	83 Å²	83	37%	0.372	42%	0.416	S	S	.	.	H	α-helix	trans	-68.4	-46.1	178.2	-72.9	172.5	0	0	0	113	I442 K443 K448 L449 T450 F466 W537	I442-L446 HydrophobicContact CG2-CD1 3.75Å; I442-L446 HydrophobicContact CG2-CG 4.29Å; I442-L446 WeakPolarHBondContact O-CG 3.39Å; I442-L446 PolarHBondContact O-N 3.39Å; K443-L446 PolarHBondContact O-N 3.18Å; L446-K448 PolarHBondContact O-N 3.09Å; L446-L449 PolarHBondContact O-N 3.22Å; L446-L449 VanDerWaalsContact O-N 3.09Å; L446-T450 PolarHBondContact O-N 2.79Å; L446-F466 HydrophobicContact CD2-CE1 4.2Å; L446-F466 HydrophobicContact CD2-CE2 4.38Å; L446-F466 HydrophobicContact CD2-CZ 3.65Å; L446-W537 HydrophobicContact CD1-CZ2 4.12Å; L446-W537 HydrophobicContact CD2-CH2 4.45Å; L446-W537 HydrophobicContact CD2-CZ2 4.13Å; L446-W537 HydrophobicContact CG-CZ2 4.26Å
447	N	73.5	Confident	68.4	Low	106 Å²	106	84.6 Å²	84.6	57%	0.567	43%	0.431	S	S	*	.	H	α-helix	trans	-60.7	-29.1	-178.3	-75	-12.8	0	0	0	113	K443 T450 C451	K443-N447 WeakPolarHBondContact O-CB 3.5Å; K443-N447 VanDerWaalsContact O-CG 3.28Å; K443-N447 PolarHBondContact O-N 3.4Å; K443-N447 PolarHBondContact O-ND2 2.64Å; N447-T450 PolarHBondContact O-OG1 2.81Å; N447-C451 PolarHBondContact O-N 2.69Å; N447-C451 PolarHBondContact O-SG 3.07Å; N447-C451 VanDerWaalsContact O-SG 3.39Å
448	K	65.6	Low	66.7	Low	71 Å²	71	88.3 Å²	88.3	31%	0.309	45%	0.45	S	S	.	.	H	α-helix	trans	-76.8	-33.5	176.3	-81.7	-171.8	173.4	-170.8	0	113.4	I444 L446 T450 C451 E462	I444-K448 PolarHBondContact O-N 3.44Å; L446-K448 PolarHBondContact O-N 3.09Å; K448-T450 PolarHBondContact O-N 2.66Å; K448-C451 PolarHBondContact O-N 3.08Å; K448-E462 WeakPolarHBondContact CD-OE1 3.4Å; K448-E462 WeakPolarHBondContact CE-OE1 3.31Å; K448-E462 IonicContact NZ-OE1 2.74Å; K448-E462 PolarHBondContact NZ-OE1 3.31Å
449	L	62.3	Low	65	Low	87 Å²	87	92.4 Å²	92.4	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-65.2	-27.9	173.8	-72.5	-169.1	0	0	0	112.4	L446 F466	L446-L449 PolarHBondContact O-N 3.22Å; L446-L449 VanDerWaalsContact O-N 3.09Å; L449-F466 HydrophobicContact CD1-CD1 4.23Å; L449-F466 HydrophobicContact CD1-CE1 3.11Å; L449-F466 HydrophobicContact CD1-CE2 4.29Å; L449-F466 HydrophobicContact CD1-CZ 3.15Å; L449-F466 HydrophobicContact CG-CE1 3.69Å; L449-F466 HydrophobicContact CG-CZ 4.21Å
450	T	59.7	Low	63.7	Low	114 Å²	114	97.8 Å²	97.8	70%	0.699	50%	0.502	S	S	*	.	H	α-helix	trans	-80	-26.7	175.3	51.3	0	0	0	0	113.4	L446 N447 K448	L446-T450 PolarHBondContact O-N 2.79Å; N447-T450 PolarHBondContact O-OG1 2.81Å; K448-T450 PolarHBondContact O-N 2.66Å
451	C	53.5	Low	63	Low	82 Å²	82	93.9 Å²	93.9	55%	0.554	49%	0.488	S	S	*	.			trans	-104.3	40.1	-174.9	-62.7	0	0	0	0	113.3	N447 K448 N453	N447-C451 PolarHBondContact O-N 2.69Å; N447-C451 PolarHBondContact O-SG 3.07Å; N447-C451 VanDerWaalsContact O-SG 3.39Å; K448-C451 PolarHBondContact O-N 3.08Å; C451-N453 PolarHBondContact O-N 3.23Å
452	Q	51	Low	62.4	Low	151 Å²	151	95.3 Å²	95.3	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	18.1	-174.8	-82.3	-174.9	-3.4	0	0	117
453	N	47.5	Very low	62.1	Low	156 Å²	156	95 Å²	95	83%	0.834	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	5.1	-178.8	-75.7	-7.3	0	0	0	116.1	C451	C451-N453 PolarHBondContact O-N 3.23Å
454	D	46.1	Very low	61.7	Low	135 Å²	135	90.4 Å²	90.4	72%	0.722	47%	0.474	S	S	*	.			trans	-108.4	105.7	178.8	-76.6	-35	0	0	0	112.3	K456	D454-K456 PolarHBondContact O-N 2.7Å
455	E	44.4	Very low	61.4	Low	204 Å²	204	88.7 Å²	88.7	95%	0.953	47%	0.465	S	S	*	.			trans	-67.9	43.1	168.5	-67.2	-172	153.6	0	0	112.8
456	K	42.8	Very low	61.1	Low	178 Å²	178	89.6 Å²	89.6	77%	0.774	47%	0.469	S	S	*	.			trans	-98.2	138.7	173.6	-87.1	-175.8	178.8	174.3	0	111.6	D454	D454-K456 PolarHBondContact O-N 2.7Å
457	P	46.1	Very low	60.7	Low	116 Å²	116	88 Å²	88	75%	0.753	46%	0.462	S	S	*	.			trans	-65.4	144.4	-166.4	27.1	-34.9	0	0	0	112.5	S459	P457-S459 PolarHBondContact O-N 2.98Å; P457-S459 VanDerWaalsContact O-N 3.08Å
458	I	50.3	Low	60.5	Low	116 Å²	116	85.2 Å²	85.2	60%	0.595	46%	0.459	S	S	*	.			trans	-60.1	100.1	-173.9	-57.7	156.9	0	0	0	110.3	V471	I458-V471 HydrophobicContact CG2-CG2 3.83Å
459	S	53.5	Low	60.7	Low	86 Å²	86	86.2 Å²	86.2	60%	0.601	47%	0.468	S	S	*	.			trans	-125.2	17.3	-179.9	83.8	0	0	0	0	115.2	P457	P457-S459 PolarHBondContact O-N 2.98Å; P457-S459 VanDerWaalsContact O-N 3.08Å
460	K	60.3	Low	61.4	Low	123 Å²	123	86 Å²	86	54%	0.535	46%	0.461	S	S	.	.	S	Bend	trans	-129.7	149	-168.7	-74.1	-174.9	177.2	177.9	0	114.1	I444 E462 W477	I444-K460 HydrophobicContact CG2-CB 4.15Å; I444-K460 HydrophobicContact CG2-CD 4.46Å; K460-E462 PolarHBondContact O-N 3.28Å; K460-W477 VanDerWaalsContact C-CZ2 3.47Å
461	E	69.3	Low	62.3	Low	20 Å²	20	82.8 Å²	82.8	9%	0.093	44%	0.441	C	S	.	.			trans	-55.9	109.2	171.9	-63.7	162.2	-150.3	0	0	111.3	R440 L441 I444 W477	R440-E461 IonicContact CZ-OE2 3.65Å; R440-E461 IonicContact NE-OE2 3.75Å; R440-E461 PolarHBondContact NE-OE2 3.3Å; R440-E461 IonicContact NH2-OE1 3.48Å; R440-E461 PolarHBondContact NH2-OE1 3.49Å; R440-E461 IonicContact NH2-OE2 3.51Å; R440-E461 PolarHBondContact NH2-OE2 2.89Å; L441-E461 HydrophobicContact CD2-CB 3.53Å; L441-E461 HydrophobicContact CD2-CG 4.3Å; I444-E461 WeakPolarHBondContact CB-O 2.97Å; I444-E461 HydrophobicContact CD1-CB 4.15Å; I444-E461 WeakPolarHBondContact CG2-O 3.42Å; E461-W477 HydrophobicContact CB-CD2 4.43Å; E461-W477 HydrophobicContact CG-CB 3.76Å; E461-W477 VanDerWaalsContact CG-CD1 3.42Å; E461-W477 HydrophobicContact CG-CD2 3.53Å; E461-W477 HydrophobicContact CG-CE3 4.18Å; E461-W477 HydrophobicContact CG-CG 3.31Å; E461-W477 WeakPolarHBondContact OE1-CA 3.42Å
462	E	74.8	Confident	63.7	Low	31 Å²	31	79.1 Å²	79.1	15%	0.145	42%	0.416	C	S	.	.			trans	-122.5	144.9	175.5	-72	171.3	-160.7	0	0	109.5	K448 K460 S464 T467	K448-E462 WeakPolarHBondContact CD-OE1 3.4Å; K448-E462 WeakPolarHBondContact CE-OE1 3.31Å; K448-E462 IonicContact NZ-OE1 2.74Å; K448-E462 PolarHBondContact NZ-OE1 3.31Å; K460-E462 PolarHBondContact O-N 3.28Å; E462-S464 PolarHBondContact O-N 3.16Å; E462-T467 HydrophobicContact CB-CG2 4.43Å
463	L	78.4	Confident	65.4	Low	1 Å²	1	72 Å²	72	1%	0.005	38%	0.382	C	S	.	.			trans	-72.5	117.8	169.8	-74.6	-177.8	0	0	0	109.8	L441 I442 S445 S465 F466 T467 Y480	L441-L463 HydrophobicContact CB-CD1 4.29Å; L441-L463 HydrophobicContact CB-CD2 3.66Å; L441-L463 HydrophobicContact CB-CG 3.6Å; L441-L463 HydrophobicContact CD1-CD2 3.68Å; L441-L463 HydrophobicContact CG-CD2 4.3Å; I442-L463 HydrophobicContact CB-CD1 4.45Å; I442-L463 HydrophobicContact CD1-CD1 4.41Å; I442-L463 HydrophobicContact CG1-CD1 3.43Å; I442-L463 VanDerWaalsContact CG1-CD1 3.43Å; S445-L463 PolarHBondContact OG-N 2.82Å; L463-S465 PolarHBondContact O-N 3.49Å; L463-F466 HydrophobicContact CB-CB 4.31Å; L463-F466 WeakPolarHBondContact O-CB 3.4Å; L463-F466 PolarHBondContact O-N 3.09Å; L463-T467 PolarHBondContact O-N 3.16Å; L463-Y480 HydrophobicContact CD2-CD1 4.48Å; L463-Y480 HydrophobicContact CD2-CE1 3.86Å
464	S	76.6	Confident	67.2	Low	8 Å²	8	66.8 Å²	66.8	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-29.5	175.6	75.1	0	0	0	0	112.6	E462 F466 T467 G468 D484 H544	E462-S464 PolarHBondContact O-N 3.16Å; S464-F466 PolarHBondContact O-N 2.87Å; S464-F466 VanDerWaalsContact O-N 3.15Å; S464-T467 PolarHBondContact O-N 3.35Å; S464-G468 WeakPolarHBondContact O-CA 3.48Å; S464-G468 PolarHBondContact O-N 2.91Å; S464-D484 VanDerWaalsContact CB-O 3.3Å; S464-D484 WeakPolarHBondContact CB-O 3.38Å; S464-D484 PolarHBondContact OG-O 2.82Å; S464-H544 PolarHBondContact OG-CE1 3.44Å; S464-H544 PolarHBondContact OG-ND1 3.28Å
465	S	74.7	Confident	68.8	Low	4 Å²	4	64.8 Å²	64.8	3%	0.028	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-19.7	176.6	64.9	0	0	0	0	112.6	L463	L463-S465 PolarHBondContact O-N 3.49Å
466	F	73.3	Confident	70.5	Confident	21 Å²	21	59.7 Å²	59.7	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-100.1	-44.6	179.4	-170.8	-117.3	0	0	0	113.1	T41 Y43 L446 L449 L463 S464 W537	T41-F466 WeakPolarHBondContact CG2-O 3.32Å; Y43-F466 HydrophobicContact CD1-CE2 4.14Å; Y43-F466 HydrophobicContact CG-CD2 4.23Å; Y43-F466 HydrophobicContact CG-CE2 4.25Å; L446-F466 HydrophobicContact CD2-CE1 4.2Å; L446-F466 HydrophobicContact CD2-CE2 4.38Å; L446-F466 HydrophobicContact CD2-CZ 3.65Å; L449-F466 HydrophobicContact CD1-CD1 4.23Å; L449-F466 HydrophobicContact CD1-CE1 3.11Å; L449-F466 HydrophobicContact CD1-CE2 4.29Å; L449-F466 HydrophobicContact CD1-CZ 3.15Å; L449-F466 HydrophobicContact CG-CE1 3.69Å; L449-F466 HydrophobicContact CG-CZ 4.21Å; L463-F466 HydrophobicContact CB-CB 4.31Å; L463-F466 WeakPolarHBondContact O-CB 3.4Å; L463-F466 PolarHBondContact O-N 3.09Å; S464-F466 PolarHBondContact O-N 2.87Å; S464-F466 VanDerWaalsContact O-N 3.15Å; F466-W537 HydrophobicContact CB-CZ3 4.28Å; F466-W537 AromaticContact CD2-CH2 3.4Å; F466-W537 HydrophobicContact CD2-CH2 3.4Å; F466-W537 AromaticContact CD2-CZ3 3.71Å; F466-W537 HydrophobicContact CD2-CZ3 3.71Å; F466-W537 AromaticContact CE2-CH2 3.52Å; F466-W537 HydrophobicContact CE2-CH2 3.52Å; F466-W537 HydrophobicContact CE2-CZ2 4.41Å; F466-W537 HydrophobicContact CE2-CZ3 4.29Å; F466-W537 HydrophobicContact CG-CH2 4.02Å; F466-W537 HydrophobicContact CG-CZ3 4.19Å; F466-W537 HydrophobicContact CZ-CH2 4.18Å
467	T	70.4	Confident	72.5	Confident	37 Å²	37	52.5 Å²	52.5	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-100.3	-21.6	-171	64.8	0	0	0	0	113.7	E462 L463 S464 N469	E462-T467 HydrophobicContact CB-CG2 4.43Å; L463-T467 PolarHBondContact O-N 3.16Å; S464-T467 PolarHBondContact O-N 3.35Å; T467-N469 PolarHBondContact O-N 3.4Å; T467-N469 VanDerWaalsContact O-N 3.11Å; T467-N469 WeakPolarHBondContact OG1-CB 3.42Å; T467-N469 PolarHBondContact OG1-N 3.39Å
468	G	69.7	Low	74.4	Confident	48 Å²	48	48.1 Å²	48.1	50%	0.495	27%	0.265	S	S	.	.			trans	68.6	-6.1	-167.9	0	0	0	0	0	114.1	S464	S464-G468 WeakPolarHBondContact O-CA 3.48Å; S464-G468 PolarHBondContact O-N 2.91Å
469	N	70.9	Confident	76.1	Confident	93 Å²	93	45.4 Å²	45.4	50%	0.497	25%	0.252	S	S	.	.			trans	-72.8	141.2	179.2	-67.3	-28.8	0	0	0	110.3	T467	T467-N469 PolarHBondContact O-N 3.4Å; T467-N469 VanDerWaalsContact O-N 3.11Å; T467-N469 WeakPolarHBondContact OG1-CB 3.42Å; T467-N469 PolarHBondContact OG1-N 3.39Å
470	R	77.2	Confident	77.8	Confident	82 Å²	82	41.5 Å²	41.5	31%	0.309	22%	0.224	S	C	.	.			trans	-126.4	97.6	-172.1	-65.8	161.5	170.9	-69.3	-18.5	108.5	W485 L486 I487 T488	R470-W485 HydrophobicContact CB-CE3 4.32Å; R470-W485 PolarHBondContact NH1-O 2.98Å; R470-L486 VanDerWaalsContact CZ-O 3.29Å; R470-L486 PolarHBondContact NH1-O 3.4Å; R470-L486 PolarHBondContact NH2-O 2.95Å; R470-I487 VanDerWaalsContact CZ-CD1 3.43Å; R470-I487 VanDerWaalsContact NH1-N 3.1Å; R470-T488 PolarHBondContact NH2-OG1 3.11Å
471	V	78.4	Confident	79.2	Confident	46 Å²	46	35.7 Å²	35.7	28%	0.279	20%	0.198	S	C	.	.			trans	-112.4	135.2	177.9	-175.8	0	0	0	0	107.8	I458 W477	I458-V471 HydrophobicContact CG2-CG2 3.83Å; V471-W477 HydrophobicContact CB-CH2 4.07Å; V471-W477 HydrophobicContact CG1-CH2 3.87Å
472	V	83.2	Confident	80.3	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.036	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-61.8	134.3	177.9	71.9	0	0	0	0	109.8	L254 L272 W280 Q474 W485	L254-V472 HydrophobicContact CD2-CB 4.39Å; L254-V472 HydrophobicContact CD2-CG1 4.06Å; L254-V472 HydrophobicContact CD2-CG2 3.4Å; L272-V472 HydrophobicContact CD2-CG2 3.67Å; W280-V472 HydrophobicContact CH2-CB 3.6Å; W280-V472 HydrophobicContact CH2-CG1 3.55Å; W280-V472 HydrophobicContact CH2-CG2 4.26Å; W280-V472 HydrophobicContact CZ2-CB 3.68Å; W280-V472 HydrophobicContact CZ2-CG1 3.97Å; W280-V472 HydrophobicContact CZ3-CB 4.16Å; W280-V472 HydrophobicContact CZ3-CG1 4.28Å; W280-V472 HydrophobicContact CZ3-CG2 4.34Å; V472-Q474 VanDerWaalsContact CG1-NE2 3.33Å; V472-Q474 PolarHBondContact O-N 3.34Å; V472-Q474 PolarHBondContact O-NE2 3.06Å; V472-W485 HydrophobicContact CB-CH2 4.29Å; V472-W485 HydrophobicContact CB-CZ3 4.5Å; V472-W485 HydrophobicContact CG2-CH2 4.09Å; V472-W485 HydrophobicContact CG2-CZ2 4.16Å
473	P	86.3	Confident	81.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-62.5	135.2	-176	-28.8	38.6	0	0	0	112.8	L254 H255 I258 W477 T481 W485	L254-P473 CarbonylContact C-O 3.57Å; H255-P473 HydrophobicContact CB-CB 3.77Å; H255-P473 PolarHBondContact N-O 3.27Å; I258-P473 HydrophobicContact CD1-CB 4.11Å; I258-P473 HydrophobicContact CD1-CG 3.99Å; P473-W477 HydrophobicContact CB-CE3 4.26Å; P473-T481 WeakPolarHBondContact CG-O 3.18Å; P473-W485 VanDerWaalsContact CD-CE2 3.46Å; P473-W485 HydrophobicContact CG-CD2 4.43Å; P473-W485 HydrophobicContact CG-CG 4.15Å
474	Q	85	Confident	81.8	Confident	48 Å²	48	33.4 Å²	33.4	22%	0.224	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-101.5	166	-175.6	-52.9	-66.9	-54.3	0	0	112.5	N253 V472 S476 W477	N253-Q474 CarbonylContact O-C 3.47Å; N253-Q474 VanDerWaalsContact O-C 3.31Å; N253-Q474 WeakPolarHBondContact O-CA 2.95Å; N253-Q474 PolarHBondContact O-OE1 2.95Å; V472-Q474 VanDerWaalsContact CG1-NE2 3.33Å; V472-Q474 PolarHBondContact O-N 3.34Å; V472-Q474 PolarHBondContact O-NE2 3.06Å; Q474-S476 VanDerWaalsContact C-N 3.26Å; Q474-S476 PolarHBondContact O-N 2.87Å; Q474-S476 VanDerWaalsContact O-N 3.14Å; Q474-W477 HydrophobicContact CB-CD2 4.07Å; Q474-W477 HydrophobicContact CB-CG 4.13Å; Q474-W477 HydrophobicContact CB-CZ2 4.37Å; Q474-W477 HydrophobicContact CG-CD2 4.31Å; Q474-W477 HydrophobicContact CG-CH2 4.37Å; Q474-W477 HydrophobicContact CG-CZ2 3.81Å; Q474-W477 WeakPolarHBondContact O-CB 3.33Å; Q474-W477 PolarHBondContact O-N 3.1Å; Q474-W477 VanDerWaalsContact O-N 3.1Å
475	Q	80	Confident	82.4	Confident	93 Å²	93	33.6 Å²	33.6	44%	0.435	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	-170.7	-168.7	177.9	5.9	0	0	114.4	N253 P256	N253-Q475 PolarHBondContact O-N 3.39Å; P256-Q475 HydrophobicContact CG-CG 4.16Å
476	S	79.1	Confident	83.3	Confident	97 Å²	97	33.7 Å²	33.7	68%	0.678	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.2	-176.4	68.9	0	0	0	0	114.4	Q474	Q474-S476 VanDerWaalsContact C-N 3.26Å; Q474-S476 PolarHBondContact O-N 2.87Å; Q474-S476 VanDerWaalsContact O-N 3.14Å
477	W	85	Confident	84.2	Confident	26 Å²	26	35.8 Å²	35.8	10%	0.098	20%	0.199	C	C	.	.	S	Bend	trans	-84.1	163.5	-171.2	-65.3	9.5	0	0	0	112.7	H255 K460 E461 V471 P473 Q474 T481	H255-W477 PolarHBondContact CD2-O 3.07Å; H255-W477 VanDerWaalsContact CD2-O 3.28Å; H255-W477 PolarHBondContact NE2-O 3Å; H255-W477 VanDerWaalsContact NE2-O 3.15Å; K460-W477 VanDerWaalsContact C-CZ2 3.47Å; E461-W477 HydrophobicContact CB-CD2 4.43Å; E461-W477 HydrophobicContact CG-CB 3.76Å; E461-W477 VanDerWaalsContact CG-CD1 3.42Å; E461-W477 HydrophobicContact CG-CD2 3.53Å; E461-W477 HydrophobicContact CG-CE3 4.18Å; E461-W477 HydrophobicContact CG-CG 3.31Å; E461-W477 WeakPolarHBondContact OE1-CA 3.42Å; V471-W477 HydrophobicContact CB-CH2 4.07Å; V471-W477 HydrophobicContact CG1-CH2 3.87Å; P473-W477 HydrophobicContact CB-CE3 4.26Å; Q474-W477 HydrophobicContact CB-CD2 4.07Å; Q474-W477 HydrophobicContact CB-CG 4.13Å; Q474-W477 HydrophobicContact CB-CZ2 4.37Å; Q474-W477 HydrophobicContact CG-CD2 4.31Å; Q474-W477 HydrophobicContact CG-CH2 4.37Å; Q474-W477 HydrophobicContact CG-CZ2 3.81Å; Q474-W477 WeakPolarHBondContact O-CB 3.33Å; Q474-W477 PolarHBondContact O-N 3.1Å; Q474-W477 VanDerWaalsContact O-N 3.1Å; W477-T481 HydrophobicContact CB-CG2 4.29Å; W477-T481 WeakPolarHBondContact CB-OG1 3.48Å; W477-T481 HydrophobicContact CE3-CG2 4.29Å
478	D	86.4	Confident	85.3	Confident	24 Å²	24	34.7 Å²	34.7	13%	0.128	19%	0.192	C	C	.	.			trans	-69.9	147.8	176.2	-70.2	-44.6	0	0	0	111.9	I437 R440 Y480 T481	I437-D478 HydrophobicContact CG2-CB 3.96Å; R440-D478 VanDerWaalsContact CZ-CG 3.47Å; R440-D478 IonicContact CZ-OD1 2.77Å; R440-D478 VanDerWaalsContact CZ-OD1 3.27Å; R440-D478 IonicContact CZ-OD2 3.53Å; R440-D478 IonicContact NE-OD2 3.17Å; R440-D478 PolarHBondContact NE-OD2 3.41Å; R440-D478 IonicContact NH1-OD1 3.79Å; R440-D478 PolarHBondContact NH1-OD1 3.21Å; R440-D478 IonicContact NH1-OD2 2.77Å; R440-D478 IonicContact NH2-OD1 3.33Å; R440-D478 PolarHBondContact NH2-OD1 2.73Å; R440-D478 IonicContact NH2-OD2 2.73Å; R440-D478 PolarHBondContact NH2-OD2 3.28Å; D478-Y480 PolarHBondContact O-N 3.1Å; D478-Y480 VanDerWaalsContact O-N 3.1Å; D478-T481 HydrophobicContact CB-CG2 4.35Å; D478-T481 VanDerWaalsContact O-CB 3.29Å; D478-T481 WeakPolarHBondContact O-CB 3.3Å; D478-T481 WeakPolarHBondContact O-CG2 3.14Å; D478-T481 PolarHBondContact O-N 2.6Å; D478-T481 PolarHBondContact O-OG1 3.1Å
479	D	85.7	Confident	86.4	Confident	60 Å²	60	33 Å²	33	32%	0.321	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.1	179.5	-170.2	59.3	0	0	0	113.4	H255 S257 Y300 T481 T482	H255-D479 IonicContact CE1-OD1 2.77Å; S257-D479 PolarHBondContact OG-OD1 2.86Å; Y300-D479 WeakPolarHBondContact CE2-OD2 3.43Å; D479-T481 PolarHBondContact O-N 3.1Å; D479-T482 VanDerWaalsContact O-CB 3.32Å; D479-T482 WeakPolarHBondContact O-CB 3.49Å; D479-T482 VanDerWaalsContact O-CG2 3.31Å; D479-T482 WeakPolarHBondContact O-CG2 3.3Å; D479-T482 PolarHBondContact O-N 3.14Å; D479-T482 VanDerWaalsContact O-N 3.1Å; D479-T482 PolarHBondContact O-OG1 3.17Å
480	Y	89.8	Confident	87.4	Confident	3 Å²	3	29.3 Å²	29.3	1%	0.012	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-32	173.3	179.1	-108.3	0	0	0	112.7	Y300 T433 L438 L441 L463 D478 T482 V483 D484 H545	Y300-Y480 HydrophobicContact CE1-CD2 4.13Å; Y300-Y480 AromaticContact CZ-CD2 3.87Å; T433-Y480 HydrophobicContact CG2-CD2 3.95Å; T433-Y480 HydrophobicContact CG2-CG 3.88Å; T433-Y480 WeakPolarHBondContact OG1-CD2 3.3Å; L438-Y480 HydrophobicContact CD2-CD1 3.86Å; L438-Y480 HydrophobicContact CD2-CE1 3.55Å; L438-Y480 HydrophobicContact CD2-CE2 4.46Å; L438-Y480 HydrophobicContact CD2-CG 4.42Å; L441-Y480 HydrophobicContact CD1-CD1 3.69Å; L441-Y480 HydrophobicContact CD1-CE1 4.31Å; L463-Y480 HydrophobicContact CD2-CD1 4.48Å; L463-Y480 HydrophobicContact CD2-CE1 3.86Å; D478-Y480 PolarHBondContact O-N 3.1Å; D478-Y480 VanDerWaalsContact O-N 3.1Å; Y480-T482 PolarHBondContact O-N 3.09Å; Y480-T482 VanDerWaalsContact O-N 3.09Å; Y480-V483 WeakPolarHBondContact O-CG2 3.33Å; Y480-V483 PolarHBondContact O-N 3.2Å; Y480-D484 HydrophobicContact CD1-CB 4Å; Y480-D484 HydrophobicContact CE1-CB 3.54Å; Y480-D484 PolarHBondContact O-N 2.85Å; Y480-H545 AromaticContact CE2-CE1 3.83Å; Y480-H545 AromaticContact CE2-NE2 3.22Å; Y480-H545 WeakPolarHBondContact CE2-NE2 3.42Å; Y480-H545 AromaticContact CZ-CE1 3.94Å; Y480-H545 AromaticContact CZ-NE2 3.35Å; Y480-H545 PolarHBondContact OH-CE1 3.19Å; Y480-H545 PolarHBondContact OH-NE2 2.93Å
481	T	89.9	Confident	88	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-15.9	178.7	68.6	0	0	0	0	112.7	L441 P473 W477 D478 D479 V483 D484	L441-T481 HydrophobicContact CD1-CG2 4.4Å; L441-T481 HydrophobicContact CD2-CG2 4.06Å; P473-T481 WeakPolarHBondContact CG-O 3.18Å; W477-T481 HydrophobicContact CB-CG2 4.29Å; W477-T481 WeakPolarHBondContact CB-OG1 3.48Å; W477-T481 HydrophobicContact CE3-CG2 4.29Å; D478-T481 HydrophobicContact CB-CG2 4.35Å; D478-T481 VanDerWaalsContact O-CB 3.29Å; D478-T481 WeakPolarHBondContact O-CB 3.3Å; D478-T481 WeakPolarHBondContact O-CG2 3.14Å; D478-T481 PolarHBondContact O-N 2.6Å; D478-T481 PolarHBondContact O-OG1 3.1Å; D479-T481 PolarHBondContact O-N 3.1Å; T481-V483 PolarHBondContact O-N 2.76Å; T481-D484 VanDerWaalsContact CA-OD1 3.24Å; T481-D484 WeakPolarHBondContact CA-OD1 3.4Å
482	T	91.5	Very high	88.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-22.3	177.1	64.8	0	0	0	0	113.8	H255 I258 D479 Y480 W485	H255-T482 HydrophobicContact CB-CG2 4.26Å; H255-T482 WeakPolarHBondContact ND1-CG2 3.49Å; I258-T482 HydrophobicContact CG1-CG2 4.47Å; D479-T482 VanDerWaalsContact O-CB 3.32Å; D479-T482 WeakPolarHBondContact O-CB 3.49Å; D479-T482 VanDerWaalsContact O-CG2 3.31Å; D479-T482 WeakPolarHBondContact O-CG2 3.3Å; D479-T482 PolarHBondContact O-N 3.14Å; D479-T482 VanDerWaalsContact O-N 3.1Å; D479-T482 PolarHBondContact O-OG1 3.17Å; Y480-T482 PolarHBondContact O-N 3.09Å; Y480-T482 VanDerWaalsContact O-N 3.09Å; T482-W485 PolarHBondContact O-NE1 3.37Å; T482-W485 VanDerWaalsContact O-NE1 3.13Å
483	V	93.1	Very high	89.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-125.8	-19.7	-176.5	-66.1	0	0	0	0	114.5	Y300 Y480 T481 W485 L486 L599 P601	Y300-V483 HydrophobicContact CD1-CG2 3.76Å; Y300-V483 HydrophobicContact CD2-CG2 4.16Å; Y300-V483 HydrophobicContact CE1-CG2 4.24Å; Y300-V483 HydrophobicContact CG-CG1 4.09Å; Y300-V483 HydrophobicContact CG-CG2 3.7Å; Y480-V483 WeakPolarHBondContact O-CG2 3.33Å; Y480-V483 PolarHBondContact O-N 3.2Å; T481-V483 PolarHBondContact O-N 2.76Å; V483-W485 VanDerWaalsContact C-N 3.26Å; V483-W485 PolarHBondContact O-N 3.19Å; V483-L486 HydrophobicContact CB-CD1 4.12Å; V483-L486 HydrophobicContact CG1-CD1 4.21Å; V483-L486 WeakPolarHBondContact O-CB 3.49Å; V483-L486 WeakPolarHBondContact O-CG 3.44Å; V483-L486 PolarHBondContact O-N 3.2Å; V483-L599 HydrophobicContact CB-CD2 3.83Å; V483-L599 HydrophobicContact CB-CG 4.34Å; V483-L599 HydrophobicContact CG1-CD2 4.17Å; V483-L599 HydrophobicContact CG1-CG 4.16Å; V483-L599 HydrophobicContact CG2-CD2 4.37Å; V483-P601 HydrophobicContact CG1-CG 4Å
484	D	91.6	Very high	89.6	Confident	5 Å²	5	42 Å²	42	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-28.6	-179.9	84.6	-30.5	0	0	0	111.9	S464 Y480 T481 L486 H544	S464-D484 VanDerWaalsContact CB-O 3.3Å; S464-D484 WeakPolarHBondContact CB-O 3.38Å; S464-D484 PolarHBondContact OG-O 2.82Å; Y480-D484 HydrophobicContact CD1-CB 4Å; Y480-D484 HydrophobicContact CE1-CB 3.54Å; Y480-D484 PolarHBondContact O-N 2.85Å; T481-D484 VanDerWaalsContact CA-OD1 3.24Å; T481-D484 WeakPolarHBondContact CA-OD1 3.4Å; D484-L486 VanDerWaalsContact C-N 3.3Å; D484-L486 PolarHBondContact O-N 3.41Å; D484-H544 PolarHBondContact O-CE1 3.4Å; D484-H544 PolarHBondContact O-NE2 3.08Å
485	W	90.3	Very high	90.1	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.045	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.7	-179.4	77.3	-66.8	0	0	0	114.8	W280 R470 V472 P473 T482 V483 L605	W280-W485 HydrophobicContact CB-CH2 4.46Å; W280-W485 AromaticContact CD1-CH2 3.9Å; W280-W485 AromaticContact CD1-CZ3 3.53Å; W280-W485 HydrophobicContact CD2-CH2 4.12Å; W280-W485 HydrophobicContact CD2-CZ3 4.3Å; W280-W485 AromaticContact CG-CH2 3.89Å; W280-W485 HydrophobicContact CG-CH2 3.89Å; W280-W485 HydrophobicContact CG-CZ3 4.01Å; W280-W485 AromaticContact NE1-CZ3 3.54Å; R470-W485 HydrophobicContact CB-CE3 4.32Å; R470-W485 PolarHBondContact NH1-O 2.98Å; V472-W485 HydrophobicContact CB-CH2 4.29Å; V472-W485 HydrophobicContact CB-CZ3 4.5Å; V472-W485 HydrophobicContact CG2-CH2 4.09Å; V472-W485 HydrophobicContact CG2-CZ2 4.16Å; P473-W485 VanDerWaalsContact CD-CE2 3.46Å; P473-W485 HydrophobicContact CG-CD2 4.43Å; P473-W485 HydrophobicContact CG-CG 4.15Å; T482-W485 PolarHBondContact O-NE1 3.37Å; T482-W485 VanDerWaalsContact O-NE1 3.13Å; V483-W485 VanDerWaalsContact C-N 3.26Å; V483-W485 PolarHBondContact O-N 3.19Å; W485-L605 HydrophobicContact CH2-CD1 4.45Å; W485-L605 HydrophobicContact CH2-CD2 3.72Å; W485-L605 HydrophobicContact CZ2-CD1 4.03Å; W485-L605 HydrophobicContact CZ2-CD2 3.62Å; W485-L605 HydrophobicContact CZ2-CG 4.43Å
486	L	93.1	Very high	90.8	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-68.4	162.1	-174.3	-66.5	176.8	0	0	0	114.2	R470 V483 D484 T488 C548 N552 L599 L605	R470-L486 VanDerWaalsContact CZ-O 3.29Å; R470-L486 PolarHBondContact NH1-O 3.4Å; R470-L486 PolarHBondContact NH2-O 2.95Å; V483-L486 HydrophobicContact CB-CD1 4.12Å; V483-L486 HydrophobicContact CG1-CD1 4.21Å; V483-L486 WeakPolarHBondContact O-CB 3.49Å; V483-L486 WeakPolarHBondContact O-CG 3.44Å; V483-L486 PolarHBondContact O-N 3.2Å; D484-L486 VanDerWaalsContact C-N 3.3Å; D484-L486 PolarHBondContact O-N 3.41Å; L486-T488 PolarHBondContact O-N 3.48Å; L486-C548 VanDerWaalsContact CB-SG 3.56Å; L486-N552 HydrophobicContact CD1-CB 4.45Å; L486-L599 HydrophobicContact CD1-CD1 3.91Å; L486-L599 HydrophobicContact CD1-CD2 4.46Å; L486-L599 HydrophobicContact CD1-CG 4.2Å; L486-L605 HydrophobicContact CD2-CD2 3.98Å
487	I	91.8	Very high	91.6	Very high	66 Å²	66	33.9 Å²	33.9	34%	0.338	17%	0.173	S	C	.	.			trans	-68.9	118.3	-167.4	-166.8	63.7	0	0	0	114	R470 N552	R470-I487 VanDerWaalsContact CZ-CD1 3.43Å; R470-I487 VanDerWaalsContact NH1-N 3.1Å; I487-N552 PolarHBondContact O-ND2 3.36Å
488	T	92.8	Very high	92.2	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.08	17%	0.172	C	C	.	.			trans	-93.1	-21.6	177.2	57.1	0	0	0	0	112.3	R470 L486 S490 R493 H544 Q547 C548	R470-T488 PolarHBondContact NH2-OG1 3.11Å; L486-T488 PolarHBondContact O-N 3.48Å; T488-S490 PolarHBondContact O-N 3.1Å; T488-S490 PolarHBondContact OG1-N 3.36Å; T488-R493 PolarHBondContact O-NE 3.12Å; T488-R493 PolarHBondContact O-NH2 2.99Å; T488-R493 VanDerWaalsContact O-NH2 3.12Å; T488-H544 WeakPolarHBondContact CG2-CE1 3.49Å; T488-H544 WeakPolarHBondContact CG2-ND1 3.34Å; T488-Q547 HydrophobicContact CG2-CB 4.1Å; T488-C548 HydrophobicContact CG2-CB 4.14Å
489	N	93	Very high	92.8	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.064	17%	0.166	C	C	.	.			trans	52.9	26.4	-168	-71.7	-56.2	0	0	0	113.2	V491 K492 R493 S551 Y662 H663	N489-V491 VanDerWaalsContact C-N 3.27Å; N489-V491 PolarHBondContact O-N 2.76Å; N489-V491 VanDerWaalsContact O-N 3.16Å; N489-K492 HydrophobicContact CB-CB 4.47Å; N489-K492 PolarHBondContact O-N 3.2Å; N489-R493 WeakPolarHBondContact O-CG 3.18Å; N489-R493 PolarHBondContact O-N 3.2Å; N489-S551 PolarHBondContact ND2-OG 3.49Å; N489-S551 VanDerWaalsContact ND2-OG 3.09Å; N489-Y662 PolarHBondContact ND2-O 3.24Å; N489-H663 HydrophobicContact CB-CB 4.39Å; N489-H663 WeakPolarHBondContact CB-CD2 3.33Å
490	S	92.2	Very high	93.4	Very high	17 Å²	17	29.3 Å²	29.3	12%	0.119	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-51.6	-44.1	-174.4	-162.2	0	0	0	0	113	R45 T488 K492 R493 Q547	R45-S490 PolarHBondContact NH1-OG 3.23Å; T488-S490 PolarHBondContact O-N 3.1Å; T488-S490 PolarHBondContact OG1-N 3.36Å; S490-K492 PolarHBondContact O-N 2.62Å; S490-R493 PolarHBondContact O-N 3.1Å; S490-Q547 PolarHBondContact OG-OE1 3.33Å
491	V	90.7	Very high	93.8	Very high	143 Å²	143	29.9 Å²	29.9	87%	0.867	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-68.4	-16.5	179.5	-59.2	0	0	0	0	114.6	N489	N489-V491 VanDerWaalsContact C-N 3.27Å; N489-V491 PolarHBondContact O-N 2.76Å; N489-V491 VanDerWaalsContact O-N 3.16Å
492	K	92.8	Very high	94.2	Very high	118 Å²	118	29.8 Å²	29.8	51%	0.513	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-98.8	-5.6	179	-60.6	-176.4	-179.7	173.5	0	112.6	N489 S490 H663	N489-K492 HydrophobicContact CB-CB 4.47Å; N489-K492 PolarHBondContact O-N 3.2Å; S490-K492 PolarHBondContact O-N 2.62Å; K492-H663 HydrophobicContact CB-CB 4.13Å; K492-H663 HydrophobicContact CD-CB 3.57Å; K492-H663 PolarHBondContact NZ-O 3.39Å
493	R	93.3	Very high	94.6	Very high	22 Å²	22	29.9 Å²	29.9	8%	0.083	15%	0.153	C	C	.	.	S	Bend	trans	-85.2	144.7	-178	-70.7	170.3	-177.1	-71	-11.2	110.8	T488 N489 S490 D497 L498 R501 Q547 S550	T488-R493 PolarHBondContact O-NE 3.12Å; T488-R493 PolarHBondContact O-NH2 2.99Å; T488-R493 VanDerWaalsContact O-NH2 3.12Å; N489-R493 WeakPolarHBondContact O-CG 3.18Å; N489-R493 PolarHBondContact O-N 3.2Å; S490-R493 PolarHBondContact O-N 3.1Å; R493-D497 WeakPolarHBondContact CD-OD1 3.14Å; R493-D497 IonicContact NH1-OD1 2.78Å; R493-D497 PolarHBondContact NH1-OD1 2.77Å; R493-D497 IonicContact NH1-OD2 3.47Å; R493-D497 PolarHBondContact NH1-OD2 2.78Å; R493-D497 VanDerWaalsContact NH1-OD2 3.16Å; R493-L498 HydrophobicContact CB-CD1 4.29Å; R493-L498 HydrophobicContact CB-CD2 4.03Å; R493-L498 HydrophobicContact CB-CG 3.89Å; R493-R501 VanDerWaalsContact NH1-CZ 3.35Å; R493-Q547 PolarHBondContact NH2-O 2.97Å; R493-S550 PolarHBondContact NH2-OG 3.03Å
494	K	93.9	Very high	94.8	Very high	117 Å²	117	29.9 Å²	29.9	51%	0.509	15%	0.153	S	C	.	.			trans	-66.1	150.7	169.6	-63.7	177.8	-177.7	170.7	0	109.8	D415 S496 D497 L498	D415-K494 IonicContact OD1-NZ 3.89Å; D415-K494 PolarHBondContact OD1-NZ 3.28Å; D415-K494 IonicContact OD2-NZ 3.86Å; D415-K494 PolarHBondContact OD2-NZ 2.81Å; K494-S496 PolarHBondContact O-N 2.76Å; K494-D497 PolarHBondContact O-N 3.05Å; K494-D497 VanDerWaalsContact O-N 3.08Å; K494-L498 PolarHBondContact O-N 2.65Å; K494-L498 VanDerWaalsContact O-N 3.16Å
495	T	95.7	Very high	95.2	Very high	36 Å²	36	29.7 Å²	29.7	22%	0.221	15%	0.152	C	C	.	.	H	α-helix	trans	-54.1	-38.9	172.9	-49.6	0	0	0	0	112.3	W32 F36 E37 D497 L498 W499	W32-T495 HydrophobicContact CD2-CG2 3.93Å; W32-T495 HydrophobicContact CE3-CG2 4.42Å; W32-T495 HydrophobicContact CG-CG2 4.35Å; W32-T495 HydrophobicContact CH2-CG2 4.37Å; W32-T495 HydrophobicContact CZ2-CG2 3.84Å; F36-T495 HydrophobicContact CD1-CG2 3.73Å; F36-T495 HydrophobicContact CE1-CG2 4.07Å; E37-T495 HydrophobicContact CB-CG2 4.48Å; E37-T495 HydrophobicContact CG-CG2 3.4Å; E37-T495 VanDerWaalsContact CG-CG2 3.4Å; T495-D497 PolarHBondContact O-N 3.16Å; T495-L498 PolarHBondContact O-N 3.25Å; T495-W499 WeakPolarHBondContact O-CB 3.48Å; T495-W499 PolarHBondContact O-N 3.17Å
496	S	95.8	Very high	95.6	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.063	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-38.8	177.6	53.9	0	0	0	0	113.3	K494 Q500	K494-S496 PolarHBondContact O-N 2.76Å; S496-Q500 VanDerWaalsContact O-CG 3.27Å; S496-Q500 WeakPolarHBondContact O-CG 2.98Å; S496-Q500 PolarHBondContact O-N 3.19Å; S496-Q500 PolarHBondContact O-NE2 2.84Å
497	D	96.3	Very high	95.8	Very high	23 Å²	23	28.9 Å²	28.9	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-49.1	174.2	170.8	-71.3	0	0	0	110.1	I417 R493 K494 T495 W499 Q500 R501	I417-D497 HydrophobicContact CD1-CB 4.2Å; I417-D497 WeakPolarHBondContact CD1-OD2 3.46Å; R493-D497 WeakPolarHBondContact CD-OD1 3.14Å; R493-D497 IonicContact NH1-OD1 2.78Å; R493-D497 PolarHBondContact NH1-OD1 2.77Å; R493-D497 IonicContact NH1-OD2 3.47Å; R493-D497 PolarHBondContact NH1-OD2 2.78Å; R493-D497 VanDerWaalsContact NH1-OD2 3.16Å; K494-D497 PolarHBondContact O-N 3.05Å; K494-D497 VanDerWaalsContact O-N 3.08Å; T495-D497 PolarHBondContact O-N 3.16Å; D497-W499 VanDerWaalsContact C-N 3.31Å; D497-W499 PolarHBondContact O-N 3.29Å; D497-Q500 PolarHBondContact O-N 3.18Å; D497-R501 WeakPolarHBondContact O-CG 3.41Å; D497-R501 PolarHBondContact O-N 3.5Å; D497-R501 WeakPolarHBondContact OD1-CD 3.42Å; D497-R501 IonicContact OD1-CZ 3.87Å; D497-R501 IonicContact OD1-NE 3.45Å; D497-R501 PolarHBondContact OD1-NE 2.91Å; D497-R501 IonicContact OD1-NH2 3.31Å; D497-R501 IonicContact OD2-CZ 3.82Å; D497-R501 IonicContact OD2-NE 3.49Å; D497-R501 PolarHBondContact OD2-NE 2.7Å; D497-R501 IonicContact OD2-NH2 2.73Å; D497-R501 PolarHBondContact OD2-NH2 2.94Å
498	L	97.3	Very high	96.1	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-38.8	-179	-68.2	172.2	0	0	0	112.2	F36 R493 K494 T495 T502 Q547	F36-L498 HydrophobicContact CE1-CB 4.25Å; F36-L498 HydrophobicContact CZ-CB 4.42Å; R493-L498 HydrophobicContact CB-CD1 4.29Å; R493-L498 HydrophobicContact CB-CD2 4.03Å; R493-L498 HydrophobicContact CB-CG 3.89Å; K494-L498 PolarHBondContact O-N 2.65Å; K494-L498 VanDerWaalsContact O-N 3.16Å; T495-L498 PolarHBondContact O-N 3.25Å; L498-T502 WeakPolarHBondContact O-CB 3.5Å; L498-T502 PolarHBondContact O-N 3.43Å; L498-T502 PolarHBondContact O-OG1 3.5Å; L498-Q547 VanDerWaalsContact CD2-OE1 3.27Å
499	W	98.3	Very high	96.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-49.5	176	177.5	-105.2	0	0	0	111.6	V16 V20 P31 W32 L33 F36 F49 M52 W386 T495 D497 R501 T502 V503	V16-W499 HydrophobicContact CG1-CZ2 3.83Å; V20-W499 HydrophobicContact CG2-CH2 3.93Å; V20-W499 HydrophobicContact CG2-CZ2 3.6Å; P31-W499 PolarHBondContact O-NE1 2.77Å; W32-W499 HydrophobicContact CB-CB 4.17Å; W32-W499 HydrophobicContact CB-CD2 3.26Å; W32-W499 HydrophobicContact CB-CE3 3.29Å; W32-W499 HydrophobicContact CB-CG 3.66Å; W32-W499 HydrophobicContact CB-CH2 4.16Å; W32-W499 HydrophobicContact CB-CZ2 4.16Å; W32-W499 HydrophobicContact CB-CZ3 3.75Å; W32-W499 HydrophobicContact CE3-CB 4.17Å; W32-W499 HydrophobicContact CE3-CG 4.34Å; L33-W499 HydrophobicContact CB-CH2 4.45Å; L33-W499 HydrophobicContact CB-CZ3 4.47Å; L33-W499 HydrophobicContact CG-CH2 4.08Å; F36-W499 HydrophobicContact CD1-CB 4.44Å; F36-W499 AromaticContact CD1-CE3 3.92Å; F36-W499 HydrophobicContact CD1-CE3 3.92Å; F36-W499 AromaticContact CD2-CE3 3.7Å; F36-W499 HydrophobicContact CD2-CE3 3.7Å; F36-W499 AromaticContact CD2-CZ3 3.82Å; F36-W499 HydrophobicContact CD2-CZ3 3.82Å; F36-W499 HydrophobicContact CE1-CB 3.82Å; F36-W499 AromaticContact CE1-CE3 3.93Å; F36-W499 HydrophobicContact CE1-CE3 3.93Å; F36-W499 AromaticContact CE2-CE3 3.69Å; F36-W499 HydrophobicContact CE2-CE3 3.69Å; F36-W499 HydrophobicContact CE2-CZ3 4.1Å; F36-W499 AromaticContact CG-CE3 3.81Å; F36-W499 HydrophobicContact CG-CE3 3.81Å; F36-W499 HydrophobicContact CG-CZ3 4.12Å; F36-W499 HydrophobicContact CZ-CB 4.25Å; F36-W499 AromaticContact CZ-CE3 3.82Å; F36-W499 HydrophobicContact CZ-CE3 3.82Å; F49-W499 HydrophobicContact CD2-CE3 4.46Å; F49-W499 AromaticContact CD2-CH2 3.73Å; F49-W499 HydrophobicContact CD2-CH2 3.73Å; F49-W499 HydrophobicContact CD2-CZ2 4.34Å; F49-W499 AromaticContact CD2-CZ3 3.81Å; F49-W499 HydrophobicContact CD2-CZ3 3.81Å; F49-W499 AromaticContact CE2-CH2 3.87Å; F49-W499 HydrophobicContact CE2-CH2 3.87Å; F49-W499 HydrophobicContact CE2-CZ2 4.03Å; F49-W499 HydrophobicContact CE2-CZ3 4.31Å; M52-W499 HydrophobicContact CE-CH2 3.57Å; M52-W499 HydrophobicContact CE-CZ2 4.08Å; W386-W499 AromaticContact CZ2-CD1 3.56Å; T495-W499 WeakPolarHBondContact O-CB 3.48Å; T495-W499 PolarHBondContact O-N 3.17Å; D497-W499 VanDerWaalsContact C-N 3.31Å; D497-W499 PolarHBondContact O-N 3.29Å; W499-R501 VanDerWaalsContact C-N 3.32Å; W499-R501 PolarHBondContact O-N 3.36Å; W499-T502 WeakPolarHBondContact O-CA 3.39Å; W499-T502 WeakPolarHBondContact O-CB 3.19Å; W499-T502 PolarHBondContact O-N 3.39Å; W499-V503 HydrophobicContact CD2-CG2 4.36Å; W499-V503 HydrophobicContact CZ2-CG2 4.31Å; W499-V503 WeakPolarHBondContact O-CG2 3.4Å; W499-V503 PolarHBondContact O-N 2.8Å
500	Q	98.5	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-44.1	179.4	-72.4	174.4	90.6	0	0	111.6	A384 W386 D415 I417 S496 D497 T502 V503 V504	A384-Q500 HydrophobicContact CB-CB 4.24Å; A384-Q500 HydrophobicContact CB-CG 3.73Å; W386-Q500 HydrophobicContact CD2-CG 4.07Å; W386-Q500 HydrophobicContact CE3-CG 3.71Å; W386-Q500 HydrophobicContact CH2-CG 3.76Å; W386-Q500 HydrophobicContact CZ2-CG 4.11Å; W386-Q500 HydrophobicContact CZ3-CG 3.55Å; D415-Q500 PolarHBondContact O-NE2 3.35Å; I417-Q500 HydrophobicContact CD1-CB 3.95Å; I417-Q500 HydrophobicContact CG1-CB 3.74Å; I417-Q500 HydrophobicContact CG1-CG 4.36Å; S496-Q500 VanDerWaalsContact O-CG 3.27Å; S496-Q500 WeakPolarHBondContact O-CG 2.98Å; S496-Q500 PolarHBondContact O-N 3.19Å; S496-Q500 PolarHBondContact O-NE2 2.84Å; D497-Q500 PolarHBondContact O-N 3.18Å; Q500-T502 VanDerWaalsContact C-N 3.31Å; Q500-T502 PolarHBondContact O-N 3.41Å; Q500-V503 PolarHBondContact O-N 3.42Å; Q500-V504 PolarHBondContact O-N 3.17Å; Q500-V504 VanDerWaalsContact O-N 3.14Å
501	R	98.2	Very high	96.7	Very high	15 Å²	15	23.9 Å²	23.9	6%	0.057	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-38.7	173.8	-66.9	178.7	-167.8	-79.8	-12.2	112.3	Y383 I417 R493 D497 W499 V504 T505 L543 L546	Y383-R501 HydrophobicContact CD2-CG 4.2Å; Y383-R501 HydrophobicContact CE2-CG 4.32Å; I417-R501 HydrophobicContact CD1-CG 3.79Å; R493-R501 VanDerWaalsContact NH1-CZ 3.35Å; D497-R501 WeakPolarHBondContact O-CG 3.41Å; D497-R501 PolarHBondContact O-N 3.5Å; D497-R501 WeakPolarHBondContact OD1-CD 3.42Å; D497-R501 IonicContact OD1-CZ 3.87Å; D497-R501 IonicContact OD1-NE 3.45Å; D497-R501 PolarHBondContact OD1-NE 2.91Å; D497-R501 IonicContact OD1-NH2 3.31Å; D497-R501 IonicContact OD2-CZ 3.82Å; D497-R501 IonicContact OD2-NE 3.49Å; D497-R501 PolarHBondContact OD2-NE 2.7Å; D497-R501 IonicContact OD2-NH2 2.73Å; D497-R501 PolarHBondContact OD2-NH2 2.94Å; W499-R501 VanDerWaalsContact C-N 3.32Å; W499-R501 PolarHBondContact O-N 3.36Å; R501-V504 WeakPolarHBondContact O-CG1 3.36Å; R501-T505 VanDerWaalsContact O-CB 3.24Å; R501-T505 WeakPolarHBondContact O-CB 3.41Å; R501-T505 PolarHBondContact O-N 2.74Å; R501-T505 PolarHBondContact O-OG1 2.64Å; R501-L543 HydrophobicContact CB-CD1 3.6Å; R501-L546 HydrophobicContact CB-CD1 4.35Å; R501-L546 PolarHBondContact NH1-O 3.21Å
502	T	98.6	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.8	-43.3	177.2	-57.3	0	0	0	0	111.5	F36 I46 F49 L498 W499 Q500 T505 V506	F36-T502 HydrophobicContact CE2-CG2 4.16Å; I46-T502 HydrophobicContact CD1-CG2 4.08Å; F49-T502 HydrophobicContact CB-CG2 3.8Å; F49-T502 HydrophobicContact CD2-CG2 3.66Å; F49-T502 HydrophobicContact CE2-CG2 4.47Å; F49-T502 HydrophobicContact CG-CG2 3.88Å; L498-T502 WeakPolarHBondContact O-CB 3.5Å; L498-T502 PolarHBondContact O-N 3.43Å; L498-T502 PolarHBondContact O-OG1 3.5Å; W499-T502 WeakPolarHBondContact O-CA 3.39Å; W499-T502 WeakPolarHBondContact O-CB 3.19Å; W499-T502 PolarHBondContact O-N 3.39Å; Q500-T502 VanDerWaalsContact C-N 3.31Å; Q500-T502 PolarHBondContact O-N 3.41Å; T502-T505 WeakPolarHBondContact O-CB 3.37Å; T502-T505 PolarHBondContact O-N 2.9Å; T502-V506 PolarHBondContact O-N 2.91Å
503	V	98.8	Very high	97	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-58.1	-56.6	176.5	176.8	0	0	0	0	110.7	F12 V16 F49 A384 W499 Q500 T505 V506 Y507	F12-V503 HydrophobicContact CD1-CG1 4.22Å; F12-V503 HydrophobicContact CE1-CG1 3.93Å; F12-V503 WeakPolarHBondContact CE1-O 3.39Å; V16-V503 HydrophobicContact CG1-CG2 4.2Å; V16-V503 HydrophobicContact CG2-CG1 4.5Å; F49-V503 HydrophobicContact CE2-CB 4.35Å; F49-V503 HydrophobicContact CE2-CG2 3.73Å; F49-V503 HydrophobicContact CZ-CG2 4.27Å; A384-V503 HydrophobicContact CB-CB 4.25Å; A384-V503 HydrophobicContact CB-CG1 4.3Å; A384-V503 HydrophobicContact CB-CG2 4.15Å; W499-V503 HydrophobicContact CD2-CG2 4.36Å; W499-V503 HydrophobicContact CZ2-CG2 4.31Å; W499-V503 WeakPolarHBondContact O-CG2 3.4Å; W499-V503 PolarHBondContact O-N 2.8Å; Q500-V503 PolarHBondContact O-N 3.42Å; V503-T505 VanDerWaalsContact C-N 3.27Å; V503-T505 PolarHBondContact O-N 3.18Å; V503-V506 PolarHBondContact O-N 3.07Å; V503-Y507 PolarHBondContact O-N 2.84Å
504	V	98.6	Very high	96.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-33.1	-177.3	75.4	0	0	0	0	111.8	I380 Y383 Q500 R501 V506 Y507 L508 L546	I380-V504 HydrophobicContact CB-CG2 4.28Å; I380-V504 HydrophobicContact CD1-CG2 3.36Å; I380-V504 HydrophobicContact CG1-CG2 4.4Å; I380-V504 HydrophobicContact CG2-CG2 3.93Å; Y383-V504 HydrophobicContact CD1-CB 3.94Å; Y383-V504 HydrophobicContact CD1-CG1 3.81Å; Y383-V504 HydrophobicContact CD1-CG2 3.77Å; Y383-V504 HydrophobicContact CD2-CB 4.45Å; Y383-V504 HydrophobicContact CD2-CG1 3.65Å; Y383-V504 HydrophobicContact CE1-CG1 4.21Å; Y383-V504 HydrophobicContact CE1-CG2 4.26Å; Y383-V504 HydrophobicContact CE2-CG1 4.06Å; Y383-V504 HydrophobicContact CG-CB 3.83Å; Y383-V504 HydrophobicContact CG-CG1 3.5Å; Y383-V504 HydrophobicContact CG-CG2 4.2Å; Q500-V504 PolarHBondContact O-N 3.17Å; Q500-V504 VanDerWaalsContact O-N 3.14Å; R501-V504 WeakPolarHBondContact O-CG1 3.36Å; V504-V506 PolarHBondContact O-N 3.37Å; V504-Y507 WeakPolarHBondContact O-CB 3.08Å; V504-Y507 PolarHBondContact O-N 2.79Å; V504-L508 HydrophobicContact CG2-CD1 4.26Å; V504-L508 HydrophobicContact CG2-CG 4.29Å; V504-L508 WeakPolarHBondContact O-CB 3.4Å; V504-L508 VanDerWaalsContact O-CG 3.26Å; V504-L508 WeakPolarHBondContact O-CG 3.49Å; V504-L508 PolarHBondContact O-N 3.47Å; V504-L546 HydrophobicContact CG1-CD1 3.46Å; V504-L546 VanDerWaalsContact CG1-CD1 3.46Å
505	T	98.6	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.9	-52.8	174.7	-81.8	0	0	0	0	111.5	I46 R501 T502 V503 Y507 L508 T509 S539 I542 L543 L546	I46-T505 HydrophobicContact CD1-CG2 3.79Å; R501-T505 VanDerWaalsContact O-CB 3.24Å; R501-T505 WeakPolarHBondContact O-CB 3.41Å; R501-T505 PolarHBondContact O-N 2.74Å; R501-T505 PolarHBondContact O-OG1 2.64Å; T502-T505 WeakPolarHBondContact O-CB 3.37Å; T502-T505 PolarHBondContact O-N 2.9Å; V503-T505 VanDerWaalsContact C-N 3.27Å; V503-T505 PolarHBondContact O-N 3.18Å; T505-Y507 VanDerWaalsContact C-N 3.28Å; T505-Y507 PolarHBondContact O-N 2.92Å; T505-L508 CarbonylContact O-C 3.54Å; T505-L508 WeakPolarHBondContact O-CB 3.35Å; T505-L508 PolarHBondContact O-N 2.92Å; T505-L508 VanDerWaalsContact O-N 3.1Å; T505-T509 PolarHBondContact O-N 3.35Å; T505-T509 PolarHBondContact O-OG1 2.82Å; T505-S539 WeakPolarHBondContact CG2-O 3.24Å; T505-I542 HydrophobicContact CG2-CB 4.07Å; T505-I542 HydrophobicContact CG2-CG2 4.05Å; T505-L543 HydrophobicContact CG2-CB 3.99Å; T505-L543 VanDerWaalsContact OG1-CA 3.23Å; T505-L543 WeakPolarHBondContact OG1-CA 3.29Å; T505-L543 PolarHBondContact OG1-N 2.95Å; T505-L546 WeakPolarHBondContact OG1-CD1 3.49Å
506	V	98.5	Very high	96.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.4	-38.1	-175.5	173.2	0	0	0	0	110.3	F12 I46 F49 M50 L55 T502 V503 V504 T509 F510 F535	F12-V506 HydrophobicContact CE2-CG1 4.28Å; F12-V506 HydrophobicContact CZ-CB 4.04Å; F12-V506 HydrophobicContact CZ-CG1 3.75Å; I46-V506 HydrophobicContact CD1-CG2 4.04Å; F49-V506 HydrophobicContact CD1-CB 4.11Å; F49-V506 HydrophobicContact CD1-CG1 4.18Å; F49-V506 HydrophobicContact CD1-CG2 3.61Å; F49-V506 HydrophobicContact CE1-CB 3.82Å; F49-V506 HydrophobicContact CE1-CG1 3.86Å; F49-V506 HydrophobicContact CE1-CG2 3.85Å; F49-V506 HydrophobicContact CG-CG2 4.27Å; M50-V506 HydrophobicContact SD-CG1 4.1Å; M50-V506 HydrophobicContact SD-CG2 4.37Å; L55-V506 HydrophobicContact CD2-CG1 4.06Å; T502-V506 PolarHBondContact O-N 2.91Å; V503-V506 PolarHBondContact O-N 3.07Å; V504-V506 PolarHBondContact O-N 3.37Å; V506-T509 PolarHBondContact O-N 2.9Å; V506-F510 HydrophobicContact CG1-CD2 4.12Å; V506-F510 HydrophobicContact CG1-CE2 3.76Å; V506-F510 WeakPolarHBondContact O-CD2 3.47Å; V506-F510 PolarHBondContact O-N 3.32Å; V506-F535 HydrophobicContact CG1-CE1 4.09Å; V506-F535 HydrophobicContact CG1-CZ 4.29Å
507	Y	98.4	Very high	96.3	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-58.4	-48.6	170.2	171.6	-97.8	0	0	0	112.4	D8 L9 F12 I60 I380 V503 V504 T505 T509 F510 C511	D8-Y507 HydrophobicContact CB-CE2 4.03Å; L9-Y507 VanDerWaalsContact CA-CE2 3.45Å; L9-Y507 HydrophobicContact CB-CD1 4.45Å; L9-Y507 HydrophobicContact CB-CD2 4.29Å; L9-Y507 HydrophobicContact CB-CE1 4.05Å; L9-Y507 HydrophobicContact CB-CE2 3.88Å; L9-Y507 HydrophobicContact CD1-CD1 3.73Å; L9-Y507 HydrophobicContact CD1-CD2 4.1Å; L9-Y507 HydrophobicContact CD1-CE1 4.16Å; L9-Y507 HydrophobicContact CD1-CE2 4.5Å; L9-Y507 HydrophobicContact CD1-CG 3.68Å; F12-Y507 HydrophobicContact CB-CD2 4.14Å; F12-Y507 HydrophobicContact CD1-CD2 4.47Å; F12-Y507 HydrophobicContact CG-CD2 4.27Å; I60-Y507 HydrophobicContact CD1-CD2 4.01Å; I60-Y507 HydrophobicContact CD1-CE2 3.49Å; I60-Y507 VanDerWaalsContact CD1-CE2 3.49Å; I380-Y507 HydrophobicContact CD1-CD1 3.73Å; I380-Y507 HydrophobicContact CD1-CE1 3.67Å; V503-Y507 PolarHBondContact O-N 2.84Å; V504-Y507 WeakPolarHBondContact O-CB 3.08Å; V504-Y507 PolarHBondContact O-N 2.79Å; T505-Y507 VanDerWaalsContact C-N 3.28Å; T505-Y507 PolarHBondContact O-N 2.92Å; Y507-T509 VanDerWaalsContact C-N 3.26Å; Y507-T509 PolarHBondContact O-N 3.28Å; Y507-F510 WeakPolarHBondContact O-CA 3.18Å; Y507-F510 WeakPolarHBondContact O-CB 3.47Å; Y507-F510 PolarHBondContact O-N 2.61Å; Y507-C511 VanDerWaalsContact CE1-SG 3.59Å; Y507-C511 PolarHBondContact O-N 3.05Å
508	L	98.2	Very high	96	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-34.1	177.1	-73.1	172.7	0	0	0	111.9	L378 I380 F427 V504 T505 C511 L512 I542	L378-L508 HydrophobicContact CD2-CD2 3.74Å; I380-L508 HydrophobicContact CD1-CD2 3.77Å; I380-L508 HydrophobicContact CD1-CG 4.18Å; F427-L508 HydrophobicContact CD2-CB 4.38Å; F427-L508 HydrophobicContact CD2-CD2 4.33Å; F427-L508 WeakPolarHBondContact CE2-O 3.37Å; V504-L508 HydrophobicContact CG2-CD1 4.26Å; V504-L508 HydrophobicContact CG2-CG 4.29Å; V504-L508 WeakPolarHBondContact O-CB 3.4Å; V504-L508 VanDerWaalsContact O-CG 3.26Å; V504-L508 WeakPolarHBondContact O-CG 3.49Å; V504-L508 PolarHBondContact O-N 3.47Å; T505-L508 CarbonylContact O-C 3.54Å; T505-L508 WeakPolarHBondContact O-CB 3.35Å; T505-L508 PolarHBondContact O-N 2.92Å; T505-L508 VanDerWaalsContact O-N 3.1Å; L508-C511 CarbonylContact O-C 3.22Å; L508-C511 WeakPolarHBondContact O-CB 3.4Å; L508-C511 PolarHBondContact O-N 3.39Å; L508-L512 WeakPolarHBondContact O-CB 3.41Å; L508-L512 PolarHBondContact O-N 3.25Å; L508-I542 HydrophobicContact CB-CD1 4.46Å; L508-I542 HydrophobicContact CB-CG2 4.33Å; L508-I542 HydrophobicContact CD1-CG2 4.09Å
509	T	97.8	Very high	95.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.5	-34.7	173.7	-49.4	0	0	0	0	112	T505 V506 Y507 L512 E513 I519 F535 A538 S539	T505-T509 PolarHBondContact O-N 3.35Å; T505-T509 PolarHBondContact O-OG1 2.82Å; V506-T509 PolarHBondContact O-N 2.9Å; Y507-T509 VanDerWaalsContact C-N 3.26Å; Y507-T509 PolarHBondContact O-N 3.28Å; T509-L512 WeakPolarHBondContact O-CB 3.49Å; T509-L512 PolarHBondContact O-N 3.15Å; T509-E513 PolarHBondContact O-N 2.74Å; T509-I519 HydrophobicContact CG2-CD1 3.95Å; T509-F535 HydrophobicContact CG2-CD1 4.02Å; T509-F535 HydrophobicContact CG2-CD2 3.71Å; T509-F535 HydrophobicContact CG2-CE1 3.8Å; T509-F535 HydrophobicContact CG2-CE2 3.5Å; T509-F535 VanDerWaalsContact CG2-CE2 3.5Å; T509-F535 HydrophobicContact CG2-CG 3.96Å; T509-F535 HydrophobicContact CG2-CZ 3.54Å; T509-A538 HydrophobicContact CG2-CB 3.83Å; T509-S539 WeakPolarHBondContact OG1-CA 3.22Å; T509-S539 PolarHBondContact OG1-OG 3.01Å; T509-S539 VanDerWaalsContact OG1-OG 3.09Å
510	F	97.1	Very high	95.1	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-67.3	-36.4	168.6	-75.7	-70.4	0	0	0	112.6	F12 L55 F58 I60 V506 Y507 L512 A514 F535	F12-F510 HydrophobicContact CE2-CD2 4.17Å; F12-F510 AromaticContact CE2-CE2 3.93Å; F12-F510 HydrophobicContact CE2-CE2 3.93Å; L55-F510 HydrophobicContact CD2-CE2 3.97Å; L55-F510 HydrophobicContact CD2-CZ 4.35Å; F58-F510 HydrophobicContact CB-CE1 4.29Å; F58-F510 HydrophobicContact CB-CE2 4.3Å; F58-F510 HydrophobicContact CB-CZ 3.93Å; F58-F510 HydrophobicContact CD1-CB 4.34Å; F58-F510 AromaticContact CD1-CD1 3.93Å; F58-F510 HydrophobicContact CD1-CD1 3.93Å; F58-F510 AromaticContact CD1-CD2 3.51Å; F58-F510 HydrophobicContact CD1-CD2 3.51Å; F58-F510 HydrophobicContact CD1-CE1 4.01Å; F58-F510 AromaticContact CD1-CE2 3.62Å; F58-F510 HydrophobicContact CD1-CE2 3.62Å; F58-F510 AromaticContact CD1-CG 3.69Å; F58-F510 HydrophobicContact CD1-CG 3.69Å; F58-F510 AromaticContact CD1-CZ 3.87Å; F58-F510 HydrophobicContact CD1-CZ 3.87Å; F58-F510 HydrophobicContact CE1-CB 4.23Å; F58-F510 AromaticContact CE1-CD2 3.92Å; F58-F510 HydrophobicContact CE1-CD2 3.92Å; F58-F510 HydrophobicContact CE1-CE2 4.42Å; F58-F510 HydrophobicContact CE1-CG 4.04Å; F58-F510 HydrophobicContact CG-CE2 4.32Å; F58-F510 HydrophobicContact CG-CZ 4.37Å; F58-F510 VanDerWaalsContact O-CE1 3.22Å; F58-F510 WeakPolarHBondContact O-CE1 3.34Å; I60-F510 HydrophobicContact CD1-CB 4.18Å; I60-F510 HydrophobicContact CG1-CB 3.85Å; V506-F510 HydrophobicContact CG1-CD2 4.12Å; V506-F510 HydrophobicContact CG1-CE2 3.76Å; V506-F510 WeakPolarHBondContact O-CD2 3.47Å; V506-F510 PolarHBondContact O-N 3.32Å; Y507-F510 WeakPolarHBondContact O-CA 3.18Å; Y507-F510 WeakPolarHBondContact O-CB 3.47Å; Y507-F510 PolarHBondContact O-N 2.61Å; F510-L512 PolarHBondContact O-N 2.88Å; F510-A514 VanDerWaalsContact O-CB 3.28Å; F510-A514 WeakPolarHBondContact O-CB 3.4Å; F510-A514 PolarHBondContact O-N 3.22Å; F510-F535 AromaticContact CD1-CE2 3.92Å; F510-F535 HydrophobicContact CD1-CE2 3.92Å; F510-F535 HydrophobicContact CD1-CZ 4.12Å; F510-F535 AromaticContact CD2-CZ 3.91Å; F510-F535 HydrophobicContact CD2-CZ 3.91Å; F510-F535 HydrophobicContact CE1-CE2 4.02Å; F510-F535 HydrophobicContact CE1-CZ 4.1Å; F510-F535 AromaticContact CE2-CZ 3.87Å; F510-F535 HydrophobicContact CE2-CZ 3.87Å; F510-F535 HydrophobicContact CG-CE2 4.16Å; F510-F535 HydrophobicContact CG-CZ 4.02Å; F510-F535 HydrophobicContact CZ-CE2 4.35Å; F510-F535 AromaticContact CZ-CZ 3.96Å; F510-F535 HydrophobicContact CZ-CZ 3.96Å
511	C	96.1	Very high	94.3	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-34.3	169.7	-64.5	0	0	0	0	111.6	L374 L378 F427 Y507 L508 A514 G515	L374-C511 WeakPolarHBondContact CD1-O 3.48Å; L378-C511 HydrophobicContact CD2-CB 4.04Å; F427-C511 HydrophobicContact CE2-CB 4.02Å; Y507-C511 VanDerWaalsContact CE1-SG 3.59Å; Y507-C511 PolarHBondContact O-N 3.05Å; L508-C511 CarbonylContact O-C 3.22Å; L508-C511 WeakPolarHBondContact O-CB 3.4Å; L508-C511 PolarHBondContact O-N 3.39Å; C511-A514 CarbonylContact O-C 3.18Å; C511-A514 PolarHBondContact O-N 3.43Å; C511-G515 PolarHBondContact O-N 2.82Å
512	L	94.8	Very high	92.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-43.5	-178.9	-171.9	63.8	0	0	0	111.4	F427 L430 T431 L508 T509 F510 A514 G515 G516 Y517 I519 I542	F427-L512 HydrophobicContact CD2-CB 4.36Å; F427-L512 HydrophobicContact CD2-CD1 4.41Å; F427-L512 HydrophobicContact CE1-CD1 4.17Å; F427-L512 HydrophobicContact CE2-CB 3.59Å; F427-L512 HydrophobicContact CE2-CD1 3.74Å; F427-L512 HydrophobicContact CE2-CG 4.25Å; F427-L512 HydrophobicContact CZ-CB 4.15Å; F427-L512 HydrophobicContact CZ-CD1 3.59Å; F427-L512 HydrophobicContact CZ-CG 4.48Å; L430-L512 HydrophobicContact CD2-CD2 3.31Å; L430-L512 HydrophobicContact CG-CD2 4Å; T431-L512 HydrophobicContact CG2-CD1 3.36Å; L508-L512 WeakPolarHBondContact O-CB 3.41Å; L508-L512 PolarHBondContact O-N 3.25Å; T509-L512 WeakPolarHBondContact O-CB 3.49Å; T509-L512 PolarHBondContact O-N 3.15Å; F510-L512 PolarHBondContact O-N 2.88Å; L512-A514 VanDerWaalsContact C-N 3.32Å; L512-G515 PolarHBondContact O-N 3.31Å; L512-G516 PolarHBondContact O-N 2.78Å; L512-Y517 HydrophobicContact CD1-CD1 4.45Å; L512-Y517 HydrophobicContact CD1-CD2 4.09Å; L512-Y517 HydrophobicContact CD1-CG 3.79Å; L512-Y517 HydrophobicContact CD2-CD1 4Å; L512-Y517 HydrophobicContact CD2-CE1 4.47Å; L512-Y517 HydrophobicContact CD2-CG 4.16Å; L512-Y517 HydrophobicContact CG-CD1 4.08Å; L512-Y517 HydrophobicContact CG-CG 3.84Å; L512-Y517 WeakPolarHBondContact O-CB 3Å; L512-Y517 PolarHBondContact O-N 2.95Å; L512-Y517 VanDerWaalsContact O-N 3.17Å; L512-I519 HydrophobicContact CB-CD1 3.97Å; L512-I519 HydrophobicContact CD2-CD1 3.8Å; L512-I519 HydrophobicContact CG-CD1 3.81Å; L512-I542 HydrophobicContact CD2-CD1 4.18Å
513	E	93.7	Very high	90.6	Very high	61 Å²	61	27.8 Å²	27.8	29%	0.285	17%	0.165	S	C	.	.	H	α-helix	trans	-56.4	-47.7	168.8	-178.4	-176.4	-145.9	0	0	110.2	T509 G515 G516 I519 K521	T509-E513 PolarHBondContact O-N 2.74Å; E513-G515 VanDerWaalsContact C-N 3.31Å; E513-G515 PolarHBondContact O-N 2.73Å; E513-G516 PolarHBondContact O-N 3.15Å; E513-G516 VanDerWaalsContact O-N 3.07Å; E513-I519 HydrophobicContact CB-CD1 4.29Å; E513-K521 WeakPolarHBondContact OE1-CE 3.43Å; E513-K521 IonicContact OE1-NZ 3.38Å; E513-K521 PolarHBondContact OE1-NZ 2.91Å; E513-K521 WeakPolarHBondContact OE2-CE 3.35Å; E513-K521 IonicContact OE2-NZ 2.78Å; E513-K521 PolarHBondContact OE2-NZ 3.25Å
514	A	92.7	Very high	88	Confident	26 Å²	26	34 Å²	34	22%	0.215	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-32.7	178.4	0	0	0	0	0	113.5	I60 I62 F510 C511 L512 G516	I60-A514 HydrophobicContact CB-CB 3.88Å; I60-A514 HydrophobicContact CG1-CB 4.3Å; I60-A514 HydrophobicContact CG2-CB 4.26Å; I62-A514 HydrophobicContact CD1-CB 3.69Å; I62-A514 WeakPolarHBondContact CD1-O 3.46Å; I62-A514 HydrophobicContact CG1-CB 3.99Å; F510-A514 VanDerWaalsContact O-CB 3.28Å; F510-A514 WeakPolarHBondContact O-CB 3.4Å; F510-A514 PolarHBondContact O-N 3.22Å; C511-A514 CarbonylContact O-C 3.18Å; C511-A514 PolarHBondContact O-N 3.43Å; L512-A514 VanDerWaalsContact C-N 3.32Å; A514-G516 PolarHBondContact O-N 3.39Å
515	G	91.3	Very high	85.3	Confident	20 Å²	20	40.6 Å²	40.6	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.8	174.9	0	0	0	0	0	114	C511 L512 E513	C511-G515 PolarHBondContact O-N 2.82Å; L512-G515 PolarHBondContact O-N 3.31Å; E513-G515 VanDerWaalsContact C-N 3.31Å; E513-G515 PolarHBondContact O-N 2.73Å
516	G	90	Very high	83	Confident	52 Å²	52	49.5 Å²	49.5	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	19.1	178.6	0	0	0	0	0	114.2	L512 E513 A514	L512-G516 PolarHBondContact O-N 2.78Å; E513-G516 PolarHBondContact O-N 3.15Å; E513-G516 VanDerWaalsContact O-N 3.07Å; A514-G516 PolarHBondContact O-N 3.39Å
517	Y	90.3	Very high	80.6	Confident	6 Å²	6	53 Å²	53	2%	0.024	32%	0.317	C	S	.	.			trans	-65.5	140	167.5	-171.6	-91.4	0	0	0	109.1	F370 T433 P435 L512 I519 L533	F370-Y517 HydrophobicContact CD1-CD2 4.43Å; F370-Y517 HydrophobicContact CD2-CD2 4.39Å; F370-Y517 HydrophobicContact CE1-CD2 4.32Å; F370-Y517 HydrophobicContact CE2-CD2 4.26Å; F370-Y517 HydrophobicContact CG-CD2 4.45Å; F370-Y517 HydrophobicContact CZ-CD2 4.22Å; T433-Y517 PolarHBondContact O-OH 3.03Å; P435-Y517 HydrophobicContact CG-CE1 4.01Å; L512-Y517 HydrophobicContact CD1-CD1 4.45Å; L512-Y517 HydrophobicContact CD1-CD2 4.09Å; L512-Y517 HydrophobicContact CD1-CG 3.79Å; L512-Y517 HydrophobicContact CD2-CD1 4Å; L512-Y517 HydrophobicContact CD2-CE1 4.47Å; L512-Y517 HydrophobicContact CD2-CG 4.16Å; L512-Y517 HydrophobicContact CG-CD1 4.08Å; L512-Y517 HydrophobicContact CG-CG 3.84Å; L512-Y517 WeakPolarHBondContact O-CB 3Å; L512-Y517 PolarHBondContact O-N 2.95Å; L512-Y517 VanDerWaalsContact O-N 3.17Å; Y517-I519 HydrophobicContact CD1-CD1 4.25Å; Y517-I519 HydrophobicContact CD1-CG1 3.66Å; Y517-I519 HydrophobicContact CE1-CG1 4.44Å; Y517-I519 PolarHBondContact O-N 3.38Å; Y517-L533 HydrophobicContact CE1-CB 4.27Å; Y517-L533 HydrophobicContact CE1-CD2 4.18Å
518	P	89.7	Confident	78.4	Confident	47 Å²	47	56.3 Å²	56.3	31%	0.305	33%	0.333	S	S	.	.			trans	-68	89.4	-177.4	-20.4	33.7	0	0	0	112.8	P435 C531 T532 L533	P435-P518 HydrophobicContact CG-CB 4.07Å; P435-P518 HydrophobicContact CG-CG 4.09Å; P518-C531 WeakPolarHBondContact CB-O 3.49Å; P518-T532 HydrophobicContact CB-CG2 4.19Å; P518-T532 WeakPolarHBondContact O-CA 3.4Å; P518-L533 PolarHBondContact O-N 3.31Å
519	I	89.2	Confident	76.6	Confident	24 Å²	24	59.4 Å²	59.4	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.6	176.4	-56.2	-174.4	0	0	0	110	T509 L512 E513 Y517 L533 F535 A538	T509-I519 HydrophobicContact CG2-CD1 3.95Å; L512-I519 HydrophobicContact CB-CD1 3.97Å; L512-I519 HydrophobicContact CD2-CD1 3.8Å; L512-I519 HydrophobicContact CG-CD1 3.81Å; E513-I519 HydrophobicContact CB-CD1 4.29Å; Y517-I519 HydrophobicContact CD1-CD1 4.25Å; Y517-I519 HydrophobicContact CD1-CG1 3.66Å; Y517-I519 HydrophobicContact CE1-CG1 4.44Å; Y517-I519 PolarHBondContact O-N 3.38Å; I519-L533 CarbonylContact C-O 3.48Å; I519-L533 VanDerWaalsContact CA-O 3.26Å; I519-L533 WeakPolarHBondContact CA-O 3.16Å; I519-F535 HydrophobicContact CG2-CB 3.83Å; I519-F535 HydrophobicContact CG2-CD2 3.9Å; I519-F535 HydrophobicContact CG2-CG 4.3Å; I519-A538 HydrophobicContact CD1-CB 4.26Å
520	T	88.4	Confident	75.3	Confident	22 Å²	22	63.6 Å²	63.6	14%	0.135	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.4	167.1	-177.7	0	0	0	0	111.9	D522 L533 P534 F535	T520-D522 PolarHBondContact OG1-N 3.46Å; T520-D522 VanDerWaalsContact OG1-N 3.08Å; T520-L533 PolarHBondContact N-O 3.24Å; T520-P534 HydrophobicContact CG2-CB 4.5Å; T520-P534 HydrophobicContact CG2-CG 4.47Å; T520-F535 PolarHBondContact O-N 3.43Å
521	K	81.9	Confident	74.3	Confident	79 Å²	79	65.9 Å²	65.9	34%	0.343	39%	0.392	S	S	.	.			trans	-94	-7.9	170.8	-73.5	178.5	176.1	148	0	112.6	E513 I523 F535	E513-K521 WeakPolarHBondContact OE1-CE 3.43Å; E513-K521 IonicContact OE1-NZ 3.38Å; E513-K521 PolarHBondContact OE1-NZ 2.91Å; E513-K521 WeakPolarHBondContact OE2-CE 3.35Å; E513-K521 IonicContact OE2-NZ 2.78Å; E513-K521 PolarHBondContact OE2-NZ 3.25Å; K521-I523 PolarHBondContact O-N 3.46Å; K521-F535 HydrophobicContact CG-CB 4.49Å; K521-F535 HydrophobicContact CG-CD2 4.47Å
522	D	66.6	Low	73.8	Confident	120 Å²	120	67.8 Å²	67.8	64%	0.642	40%	0.404	S	S	*	.			trans	-72.6	116	-179.1	-60.1	-36.3	0	0	0	109.2	T520 Q528	T520-D522 PolarHBondContact OG1-N 3.46Å; T520-D522 VanDerWaalsContact OG1-N 3.08Å; D522-Q528 PolarHBondContact O-NE2 3.4Å; D522-Q528 VanDerWaalsContact O-NE2 3.13Å
523	I	52.1	Low	73.6	Confident	122 Å²	122	67.8 Å²	67.8	63%	0.626	40%	0.404	S	S	*	.			trans	-82.3	127	179	-62.5	169.4	0	0	0	106.7	K521	K521-I523 PolarHBondContact O-N 3.46Å
524	D	44.5	Very low	73.5	Confident	133 Å²	133	65.7 Å²	65.7	71%	0.711	40%	0.396	S	S	*	.			trans	54	83.1	159.5	-55.2	-22.8	0	0	0	116.6
525	D	42.5	Very low	73.6	Confident	138 Å²	138	64.7 Å²	64.7	74%	0.738	39%	0.386	S	S	*	.			trans	-147	133.9	152	-95.9	-35.5	0	0	0	110.5	G527 Q528	D525-G527 PolarHBondContact O-N 2.85Å; D525-Q528 PolarHBondContact O-N 3.41Å
526	N	48.9	Very low	73.7	Confident	186 Å²	186	65 Å²	65	100%	0.995	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	3.8	-173.7	-73.8	-40.7	0	0	0	115.6
527	G	47.6	Very low	73.8	Confident	74 Å²	74	63.5 Å²	63.5	76%	0.763	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	6.6	176.8	0	0	0	0	0	115.7	D525 S529	D525-G527 PolarHBondContact O-N 2.85Å; G527-S529 PolarHBondContact O-N 2.85Å
528	Q	53.9	Low	74	Confident	71 Å²	71	63.2 Å²	63.2	33%	0.332	36%	0.36	S	S	.	.			trans	-54.5	127.6	-178.5	-88.1	-179.3	0.9	0	0	112.6	D522 D525 N530	D522-Q528 PolarHBondContact O-NE2 3.4Å; D522-Q528 VanDerWaalsContact O-NE2 3.13Å; D525-Q528 PolarHBondContact O-N 3.41Å; Q528-N530 PolarHBondContact O-N 3.11Å
529	S	60	Low	74.4	Confident	64 Å²	64	61 Å²	61	45%	0.448	35%	0.346	S	S	.	.			trans	-62	132.5	170.4	117.8	0	0	0	0	108.8	G527 C531 T532	G527-S529 PolarHBondContact O-N 2.85Å; S529-C531 PolarHBondContact O-N 3.42Å; S529-C531 WeakPolarHBondContact OG-CB 3.39Å; S529-C531 PolarHBondContact OG-N 2.95Å; S529-T532 PolarHBondContact O-N 3.3Å
530	N	69.9	Low	74.7	Confident	89 Å²	89	59.8 Å²	59.8	48%	0.476	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-7.6	176.2	-83	-21.7	0	0	0	112.9	N436 N439 K443 Q528	N436-N530 VanDerWaalsContact CA-O 3.26Å; N436-N530 WeakPolarHBondContact CA-O 3.5Å; N436-N530 WeakPolarHBondContact CB-O 3.42Å; N436-N530 PolarHBondContact N-O 2.6Å; N439-N530 PolarHBondContact ND2-O 3.49Å; K443-N530 PolarHBondContact NZ-OD1 3.04Å; Q528-N530 PolarHBondContact O-N 3.11Å
531	C	76.4	Confident	75	Confident	49 Å²	49	58.8 Å²	58.8	33%	0.331	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.4	-174.3	-53.7	0	0	0	0	114.2	I351 P435 P518 S529	I351-C531 VanDerWaalsContact CD1-SG 3.52Å; P435-C531 WeakPolarHBondContact CB-O 3.36Å; P518-C531 WeakPolarHBondContact CB-O 3.49Å; S529-C531 PolarHBondContact O-N 3.42Å; S529-C531 WeakPolarHBondContact OG-CB 3.39Å; S529-C531 PolarHBondContact OG-N 2.95Å
532	T	86.4	Confident	75.7	Confident	40 Å²	40	55 Å²	55	25%	0.245	32%	0.317	C	S	.	.	S	Bend	trans	-117.6	142.8	175.6	53.4	0	0	0	0	111.3	N439 P518 S529	N439-T532 PolarHBondContact ND2-O 3Å; P518-T532 HydrophobicContact CB-CG2 4.19Å; P518-T532 WeakPolarHBondContact O-CA 3.4Å; S529-T532 PolarHBondContact O-N 3.3Å
533	L	89.6	Confident	77.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.7	176.7	-174.1	65.4	0	0	0	110.4	L430 P435 L438 I442 Y517 P518 I519 T520 W537 A538	L430-L533 HydrophobicContact CD1-CD2 4.3Å; P435-L533 HydrophobicContact CB-CB 4.21Å; L438-L533 HydrophobicContact CB-CD1 3.81Å; L438-L533 HydrophobicContact CB-CD2 4.42Å; L438-L533 HydrophobicContact CD1-CD1 4.49Å; L438-L533 HydrophobicContact CD1-CD2 3.62Å; I442-L533 HydrophobicContact CD1-CD1 3.69Å; Y517-L533 HydrophobicContact CE1-CB 4.27Å; Y517-L533 HydrophobicContact CE1-CD2 4.18Å; P518-L533 PolarHBondContact O-N 3.31Å; I519-L533 CarbonylContact C-O 3.48Å; I519-L533 VanDerWaalsContact CA-O 3.26Å; I519-L533 WeakPolarHBondContact CA-O 3.16Å; T520-L533 PolarHBondContact N-O 3.24Å; L533-W537 HydrophobicContact CD1-CB 4.18Å; L533-A538 HydrophobicContact CD2-CB 3.7Å; L533-A538 HydrophobicContact CG-CB 4.21Å
534	P	91.9	Very high	79.3	Confident	18 Å²	18	43.6 Å²	43.6	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140	175.4	-21.9	33.6	0	0	0	112	T520 N536 W537 A538	T520-P534 HydrophobicContact CG2-CB 4.5Å; T520-P534 HydrophobicContact CG2-CG 4.47Å; P534-N536 VanDerWaalsContact C-N 3.28Å; P534-N536 PolarHBondContact O-N 2.97Å; P534-W537 PolarHBondContact O-N 3.39Å; P534-A538 PolarHBondContact O-N 2.9Å
535	F	94.3	Very high	81.7	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-53.1	-42.1	-174.9	-171.3	-77.4	0	0	0	113.2	M50 V506 T509 F510 I519 T520 K521 W537 A538 S539	M50-F535 HydrophobicContact CE-CD1 3.61Å; M50-F535 HydrophobicContact CE-CE1 3.78Å; M50-F535 HydrophobicContact SD-CD1 4.07Å; M50-F535 HydrophobicContact SD-CE1 3.83Å; V506-F535 HydrophobicContact CG1-CE1 4.09Å; V506-F535 HydrophobicContact CG1-CZ 4.29Å; T509-F535 HydrophobicContact CG2-CD1 4.02Å; T509-F535 HydrophobicContact CG2-CD2 3.71Å; T509-F535 HydrophobicContact CG2-CE1 3.8Å; T509-F535 HydrophobicContact CG2-CE2 3.5Å; T509-F535 VanDerWaalsContact CG2-CE2 3.5Å; T509-F535 HydrophobicContact CG2-CG 3.96Å; T509-F535 HydrophobicContact CG2-CZ 3.54Å; F510-F535 AromaticContact CD1-CE2 3.92Å; F510-F535 HydrophobicContact CD1-CE2 3.92Å; F510-F535 HydrophobicContact CD1-CZ 4.12Å; F510-F535 AromaticContact CD2-CZ 3.91Å; F510-F535 HydrophobicContact CD2-CZ 3.91Å; F510-F535 HydrophobicContact CE1-CE2 4.02Å; F510-F535 HydrophobicContact CE1-CZ 4.1Å; F510-F535 AromaticContact CE2-CZ 3.87Å; F510-F535 HydrophobicContact CE2-CZ 3.87Å; F510-F535 HydrophobicContact CG-CE2 4.16Å; F510-F535 HydrophobicContact CG-CZ 4.02Å; F510-F535 HydrophobicContact CZ-CE2 4.35Å; F510-F535 AromaticContact CZ-CZ 3.96Å; F510-F535 HydrophobicContact CZ-CZ 3.96Å; I519-F535 HydrophobicContact CG2-CB 3.83Å; I519-F535 HydrophobicContact CG2-CD2 3.9Å; I519-F535 HydrophobicContact CG2-CG 4.3Å; T520-F535 PolarHBondContact O-N 3.43Å; K521-F535 HydrophobicContact CG-CB 4.49Å; K521-F535 HydrophobicContact CG-CD2 4.47Å; F535-W537 VanDerWaalsContact C-N 3.3Å; F535-W537 PolarHBondContact O-N 2.82Å; F535-A538 PolarHBondContact O-N 3.08Å; F535-S539 WeakPolarHBondContact CD1-OG 3.47Å; F535-S539 WeakPolarHBondContact CE1-OG 3.44Å; F535-S539 WeakPolarHBondContact O-CB 3.22Å; F535-S539 PolarHBondContact O-N 3.49Å; F535-S539 PolarHBondContact O-OG 3.22Å
536	N	93.2	Very high	84.3	Confident	27 Å²	27	30.7 Å²	30.7	14%	0.144	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-37.7	-179.9	-64.8	-1.7	0	0	0	111.6	Y43 I46 M50 P534 T540	Y43-N536 HydrophobicContact CE2-CB 4.36Å; I46-N536 HydrophobicContact CG2-CB 4.15Å; M50-N536 WeakPolarHBondContact CG-OD1 3.38Å; P534-N536 VanDerWaalsContact C-N 3.28Å; P534-N536 PolarHBondContact O-N 2.97Å; N536-T540 WeakPolarHBondContact O-CB 3.47Å; N536-T540 PolarHBondContact O-N 3.38Å; N536-T540 PolarHBondContact O-OG1 3.16Å
537	W	92.8	Very high	86.6	Confident	20 Å²	20	21.9 Å²	21.9	8%	0.076	14%	0.141	C	C	.	.	H	α-helix	trans	-74.6	-40.5	178.6	-72.9	117.9	0	0	0	112.1	Y43 I442 L446 F466 L533 P534 F535 S539 T540 C541	Y43-W537 HydrophobicContact CD2-CD2 4.04Å; Y43-W537 AromaticContact CD2-CE3 3.8Å; Y43-W537 HydrophobicContact CD2-CE3 3.8Å; Y43-W537 AromaticContact CD2-CH2 3.75Å; Y43-W537 HydrophobicContact CD2-CH2 3.75Å; Y43-W537 AromaticContact CD2-CZ2 3.94Å; Y43-W537 HydrophobicContact CD2-CZ2 3.94Å; Y43-W537 AromaticContact CD2-CZ3 3.66Å; Y43-W537 HydrophobicContact CD2-CZ3 3.66Å; Y43-W537 AromaticContact CE2-CD2 3.86Å; Y43-W537 HydrophobicContact CE2-CD2 3.86Å; Y43-W537 AromaticContact CE2-CE2 3.57Å; Y43-W537 HydrophobicContact CE2-CE3 4.12Å; Y43-W537 AromaticContact CE2-CH2 3.91Å; Y43-W537 HydrophobicContact CE2-CH2 3.91Å; Y43-W537 AromaticContact CE2-CZ2 3.6Å; Y43-W537 HydrophobicContact CE2-CZ2 3.6Å; Y43-W537 HydrophobicContact CE2-CZ3 4.15Å; Y43-W537 HydrophobicContact CG-CH2 4.21Å; Y43-W537 HydrophobicContact CG-CZ3 4.26Å; I442-W537 HydrophobicContact CD1-CB 3.53Å; I442-W537 HydrophobicContact CD1-CD2 3.8Å; I442-W537 HydrophobicContact CD1-CE3 4.19Å; I442-W537 HydrophobicContact CD1-CG 3.51Å; I442-W537 HydrophobicContact CG1-CB 4.48Å; I442-W537 HydrophobicContact CG1-CD2 3.86Å; I442-W537 HydrophobicContact CG1-CE3 3.89Å; I442-W537 HydrophobicContact CG1-CG 4.13Å; I442-W537 HydrophobicContact CG1-CZ3 4.36Å; I442-W537 HydrophobicContact CG2-CD2 3.91Å; I442-W537 VanDerWaalsContact CG2-CE2 3.48Å; I442-W537 HydrophobicContact CG2-CE3 4.39Å; I442-W537 HydrophobicContact CG2-CG 4.36Å; I442-W537 HydrophobicContact CG2-CH2 4.11Å; I442-W537 HydrophobicContact CG2-CZ2 3.62Å; I442-W537 HydrophobicContact CG2-CZ3 4.48Å; L446-W537 HydrophobicContact CD1-CZ2 4.12Å; L446-W537 HydrophobicContact CD2-CH2 4.45Å; L446-W537 HydrophobicContact CD2-CZ2 4.13Å; L446-W537 HydrophobicContact CG-CZ2 4.26Å; F466-W537 HydrophobicContact CB-CZ3 4.28Å; F466-W537 AromaticContact CD2-CH2 3.4Å; F466-W537 HydrophobicContact CD2-CH2 3.4Å; F466-W537 AromaticContact CD2-CZ3 3.71Å; F466-W537 HydrophobicContact CD2-CZ3 3.71Å; F466-W537 AromaticContact CE2-CH2 3.52Å; F466-W537 HydrophobicContact CE2-CH2 3.52Å; F466-W537 HydrophobicContact CE2-CZ2 4.41Å; F466-W537 HydrophobicContact CE2-CZ3 4.29Å; F466-W537 HydrophobicContact CG-CH2 4.02Å; F466-W537 HydrophobicContact CG-CZ3 4.19Å; F466-W537 HydrophobicContact CZ-CH2 4.18Å; L533-W537 HydrophobicContact CD1-CB 4.18Å; P534-W537 PolarHBondContact O-N 3.39Å; F535-W537 VanDerWaalsContact C-N 3.3Å; F535-W537 PolarHBondContact O-N 2.82Å; W537-S539 VanDerWaalsContact C-N 3.29Å; W537-S539 PolarHBondContact O-N 3.45Å; W537-T540 HydrophobicContact CE3-CG2 4.45Å; W537-T540 WeakPolarHBondContact O-CB 3.45Å; W537-T540 PolarHBondContact O-N 2.99Å; W537-T540 VanDerWaalsContact O-N 3.16Å; W537-C541 PolarHBondContact O-N 2.98Å; W537-C541 PolarHBondContact O-SG 3.29Å; W537-C541 VanDerWaalsContact O-SG 3.39Å
538	A	94.8	Very high	88.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-54.9	-47.7	170.2	0	0	0	0	0	111.2	L430 T509 I519 L533 P534 F535 T540 C541 I542	L430-A538 HydrophobicContact CD2-CB 3.92Å; L430-A538 WeakPolarHBondContact CD2-O 3.4Å; T509-A538 HydrophobicContact CG2-CB 3.83Å; I519-A538 HydrophobicContact CD1-CB 4.26Å; L533-A538 HydrophobicContact CD2-CB 3.7Å; L533-A538 HydrophobicContact CG-CB 4.21Å; P534-A538 PolarHBondContact O-N 2.9Å; F535-A538 PolarHBondContact O-N 3.08Å; A538-T540 PolarHBondContact O-N 2.86Å; A538-C541 PolarHBondContact O-N 3.04Å; A538-I542 PolarHBondContact O-N 2.9Å; A538-I542 VanDerWaalsContact O-N 3.1Å
539	S	97.1	Very high	90.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-45.7	176	-54.3	0	0	0	0	111.3	T505 T509 F535 W537 C541 I542 L543	T505-S539 WeakPolarHBondContact CG2-O 3.24Å; T509-S539 WeakPolarHBondContact OG1-CA 3.22Å; T509-S539 PolarHBondContact OG1-OG 3.01Å; T509-S539 VanDerWaalsContact OG1-OG 3.09Å; F535-S539 WeakPolarHBondContact CD1-OG 3.47Å; F535-S539 WeakPolarHBondContact CE1-OG 3.44Å; F535-S539 WeakPolarHBondContact O-CB 3.22Å; F535-S539 PolarHBondContact O-N 3.49Å; F535-S539 PolarHBondContact O-OG 3.22Å; W537-S539 VanDerWaalsContact C-N 3.29Å; W537-S539 PolarHBondContact O-N 3.45Å; S539-C541 VanDerWaalsContact C-N 3.33Å; S539-C541 PolarHBondContact O-N 2.62Å; S539-I542 PolarHBondContact O-N 3.45Å; S539-I542 VanDerWaalsContact O-N 3.16Å; S539-L543 PolarHBondContact O-N 2.96Å
540	T	95.4	Very high	92.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.7	-43.6	-179.7	-59.8	0	0	0	0	111.7	D42 N536 W537 A538 L543 H544	D42-T540 HydrophobicContact CB-CG2 4.07Å; N536-T540 WeakPolarHBondContact O-CB 3.47Å; N536-T540 PolarHBondContact O-N 3.38Å; N536-T540 PolarHBondContact O-OG1 3.16Å; W537-T540 HydrophobicContact CE3-CG2 4.45Å; W537-T540 WeakPolarHBondContact O-CB 3.45Å; W537-T540 PolarHBondContact O-N 2.99Å; W537-T540 VanDerWaalsContact O-N 3.16Å; A538-T540 PolarHBondContact O-N 2.86Å; T540-L543 PolarHBondContact O-N 3.32Å; T540-H544 WeakPolarHBondContact O-CB 3.09Å; T540-H544 PolarHBondContact O-N 3.02Å
541	C	95	Very high	93.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.9	-40.7	176.1	-63.3	0	0	0	0	112.6	L430 W537 A538 S539 H544 H545	L430-C541 HydrophobicContact CD1-CB 3.88Å; W537-C541 PolarHBondContact O-N 2.98Å; W537-C541 PolarHBondContact O-SG 3.29Å; W537-C541 VanDerWaalsContact O-SG 3.39Å; A538-C541 PolarHBondContact O-N 3.04Å; S539-C541 VanDerWaalsContact C-N 3.33Å; S539-C541 PolarHBondContact O-N 2.62Å; C541-H544 PolarHBondContact O-N 3.22Å; C541-H545 PolarHBondContact O-CD2 3.41Å; C541-H545 PolarHBondContact O-N 3.48Å
542	I	97.4	Very high	94.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.6	-43.6	175.4	-70.7	165.6	0	0	0	110.8	A426 L430 T505 L508 L512 A538 S539 H544 H545 L546	A426-I542 HydrophobicContact CB-CG2 4.45Å; L430-I542 HydrophobicContact CB-CG1 4.21Å; L430-I542 HydrophobicContact CD2-CD1 3.7Å; L430-I542 HydrophobicContact CD2-CG1 3.66Å; T505-I542 HydrophobicContact CG2-CB 4.07Å; T505-I542 HydrophobicContact CG2-CG2 4.05Å; L508-I542 HydrophobicContact CB-CD1 4.46Å; L508-I542 HydrophobicContact CB-CG2 4.33Å; L508-I542 HydrophobicContact CD1-CG2 4.09Å; L512-I542 HydrophobicContact CD2-CD1 4.18Å; A538-I542 PolarHBondContact O-N 2.9Å; A538-I542 VanDerWaalsContact O-N 3.1Å; S539-I542 PolarHBondContact O-N 3.45Å; S539-I542 VanDerWaalsContact O-N 3.16Å; I542-H544 VanDerWaalsContact C-N 3.34Å; I542-H544 PolarHBondContact O-N 3.29Å; I542-H545 PolarHBondContact O-N 3.01Å; I542-H545 VanDerWaalsContact O-N 3.16Å; I542-L546 HydrophobicContact CG2-CD1 4.35Å; I542-L546 HydrophobicContact CG2-CG 4.37Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.3Å
543	L	97.5	Very high	94.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.9	-43.5	177.9	179.5	53.9	0	0	0	112	D42 R45 I46 R501 T505 S539 T540 H545 L546 Q547	D42-L543 HydrophobicContact CB-CD2 3.88Å; D42-L543 HydrophobicContact CB-CG 4.14Å; R45-L543 HydrophobicContact CB-CD2 4.13Å; I46-L543 HydrophobicContact CD1-CB 4.47Å; I46-L543 HydrophobicContact CD1-CD2 4.03Å; I46-L543 HydrophobicContact CG1-CD2 4.11Å; R501-L543 HydrophobicContact CB-CD1 3.6Å; T505-L543 HydrophobicContact CG2-CB 3.99Å; T505-L543 VanDerWaalsContact OG1-CA 3.23Å; T505-L543 WeakPolarHBondContact OG1-CA 3.29Å; T505-L543 PolarHBondContact OG1-N 2.95Å; S539-L543 PolarHBondContact O-N 2.96Å; T540-L543 PolarHBondContact O-N 3.32Å; L543-H545 VanDerWaalsContact C-N 3.32Å; L543-H545 PolarHBondContact O-N 3.36Å; L543-L546 PolarHBondContact O-N 3.19Å; L543-Q547 PolarHBondContact O-N 2.95Å; L543-Q547 PolarHBondContact O-NE2 2.71Å; L543-Q547 VanDerWaalsContact O-NE2 3.1Å
544	H	95.6	Very high	95.1	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.014	5%	0.045	C	C	.	.	H	α-helix	trans	-56.6	-49	173.5	171.6	87.9	0	0	0	110.8	D42 S464 D484 T488 T540 C541 I542 Q547 C548	D42-H544 WeakPolarHBondContact OD2-CA 3.4Å; S464-H544 PolarHBondContact OG-CE1 3.44Å; S464-H544 PolarHBondContact OG-ND1 3.28Å; D484-H544 PolarHBondContact O-CE1 3.4Å; D484-H544 PolarHBondContact O-NE2 3.08Å; T488-H544 WeakPolarHBondContact CG2-CE1 3.49Å; T488-H544 WeakPolarHBondContact CG2-ND1 3.34Å; T540-H544 WeakPolarHBondContact O-CB 3.09Å; T540-H544 PolarHBondContact O-N 3.02Å; C541-H544 PolarHBondContact O-N 3.22Å; I542-H544 VanDerWaalsContact C-N 3.34Å; I542-H544 PolarHBondContact O-N 3.29Å; H544-Q547 PolarHBondContact O-N 3.2Å; H544-C548 WeakPolarHBondContact O-CB 3.46Å; H544-C548 PolarHBondContact O-N 2.8Å
545	H	96.8	Very high	95	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68.6	-36.1	-178.4	-73.8	-44.9	0	0	0	114.3	A426 L429 Y480 C541 I542 L543 Q547 C548 I549	A426-H545 HydrophobicContact CB-CB 4.03Å; L429-H545 HydrophobicContact CD1-CB 3.8Å; L429-H545 VanDerWaalsContact CD1-CG 3.48Å; Y480-H545 AromaticContact CE2-CE1 3.83Å; Y480-H545 AromaticContact CE2-NE2 3.22Å; Y480-H545 WeakPolarHBondContact CE2-NE2 3.42Å; Y480-H545 AromaticContact CZ-CE1 3.94Å; Y480-H545 AromaticContact CZ-NE2 3.35Å; Y480-H545 PolarHBondContact OH-CE1 3.19Å; Y480-H545 PolarHBondContact OH-NE2 2.93Å; C541-H545 PolarHBondContact O-CD2 3.41Å; C541-H545 PolarHBondContact O-N 3.48Å; I542-H545 PolarHBondContact O-N 3.01Å; I542-H545 VanDerWaalsContact O-N 3.16Å; L543-H545 VanDerWaalsContact C-N 3.32Å; L543-H545 PolarHBondContact O-N 3.36Å; H545-Q547 PolarHBondContact O-N 3.28Å; H545-C548 PolarHBondContact O-N 3.34Å; H545-I549 HydrophobicContact CB-CD1 4.31Å; H545-I549 WeakPolarHBondContact O-CB 3.31Å; H545-I549 WeakPolarHBondContact O-CD1 3.37Å; H545-I549 VanDerWaalsContact O-CG1 3.23Å; H545-I549 WeakPolarHBondContact O-CG1 3.38Å; H545-I549 PolarHBondContact O-N 3.39Å
546	L	97.1	Very high	94.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57	-41	173.1	-77.1	176.6	0	0	0	111.5	Y383 I422 A426 R501 V504 T505 I542 L543	Y383-L546 HydrophobicContact CE2-CD2 4.37Å; I422-L546 HydrophobicContact CG2-CD2 4Å; A426-L546 HydrophobicContact CB-CD2 3.6Å; A426-L546 HydrophobicContact CB-CG 3.81Å; R501-L546 HydrophobicContact CB-CD1 4.35Å; R501-L546 PolarHBondContact NH1-O 3.21Å; V504-L546 HydrophobicContact CG1-CD1 3.46Å; V504-L546 VanDerWaalsContact CG1-CD1 3.46Å; T505-L546 WeakPolarHBondContact OG1-CD1 3.49Å; I542-L546 HydrophobicContact CG2-CD1 4.35Å; I542-L546 HydrophobicContact CG2-CG 4.37Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.3Å; L543-L546 PolarHBondContact O-N 3.19Å
547	Q	95.6	Very high	94.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-70.7	-48.8	175.6	-65.8	170	83.8	0	0	111	D42 T488 S490 R493 L498 L543 H544 H545 I549 S550	D42-Q547 PolarHBondContact OD1-NE2 3.07Å; D42-Q547 PolarHBondContact OD2-NE2 3.26Å; T488-Q547 HydrophobicContact CG2-CB 4.1Å; S490-Q547 PolarHBondContact OG-OE1 3.33Å; R493-Q547 PolarHBondContact NH2-O 2.97Å; L498-Q547 VanDerWaalsContact CD2-OE1 3.27Å; L543-Q547 PolarHBondContact O-N 2.95Å; L543-Q547 PolarHBondContact O-NE2 2.71Å; L543-Q547 VanDerWaalsContact O-NE2 3.1Å; H544-Q547 PolarHBondContact O-N 3.2Å; H545-Q547 PolarHBondContact O-N 3.28Å; Q547-I549 PolarHBondContact O-N 3.02Å; Q547-S550 PolarHBondContact O-N 2.86Å; Q547-S550 PolarHBondContact O-OG 3.44Å
548	C	95.3	Very high	94	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-55.6	-50.7	-179.5	174.8	0	0	0	0	112.5	L486 T488 H544 H545 S550 S551 N552	L486-C548 VanDerWaalsContact CB-SG 3.56Å; T488-C548 HydrophobicContact CG2-CB 4.14Å; H544-C548 WeakPolarHBondContact O-CB 3.46Å; H544-C548 PolarHBondContact O-N 2.8Å; H545-C548 PolarHBondContact O-N 3.34Å; C548-S550 VanDerWaalsContact C-N 3.27Å; C548-S550 PolarHBondContact O-N 3.44Å; C548-S551 PolarHBondContact O-N 2.9Å; C548-N552 WeakPolarHBondContact O-CB 3.2Å; C548-N552 PolarHBondContact O-N 3.19Å; C548-N552 PolarHBondContact O-ND2 3.18Å
549	I	96.8	Very high	93.4	Very high	5 Å²	5	9 Å²	9	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-62.9	-33.5	-175.7	-66.9	159	0	0	0	111.6	I422 L425 A426 L429 H545 Q547 S551 N552 G553 L599	I422-I549 HydrophobicContact CB-CG2 4.22Å; I422-I549 HydrophobicContact CG1-CG2 3.99Å; I422-I549 HydrophobicContact CG2-CB 4Å; I422-I549 HydrophobicContact CG2-CG2 3.9Å; L425-I549 HydrophobicContact CB-CD1 3.9Å; L425-I549 HydrophobicContact CD2-CD1 4.08Å; L425-I549 HydrophobicContact CD2-CG1 4.12Å; L425-I549 HydrophobicContact CD2-CG2 3.99Å; L425-I549 HydrophobicContact CG-CD1 3.76Å; L425-I549 HydrophobicContact CG-CG1 4.32Å; A426-I549 HydrophobicContact CB-CD1 3.79Å; A426-I549 VanDerWaalsContact N-CD1 3.3Å; L429-I549 HydrophobicContact CD1-CD1 3.75Å; L429-I549 HydrophobicContact CD1-CG1 4.12Å; H545-I549 HydrophobicContact CB-CD1 4.31Å; H545-I549 WeakPolarHBondContact O-CB 3.31Å; H545-I549 WeakPolarHBondContact O-CD1 3.37Å; H545-I549 VanDerWaalsContact O-CG1 3.23Å; H545-I549 WeakPolarHBondContact O-CG1 3.38Å; H545-I549 PolarHBondContact O-N 3.39Å; Q547-I549 PolarHBondContact O-N 3.02Å; I549-S551 PolarHBondContact O-N 3.49Å; I549-N552 PolarHBondContact O-N 3.13Å; I549-G553 VanDerWaalsContact O-CA 3.3Å; I549-G553 WeakPolarHBondContact O-CA 3.32Å; I549-G553 PolarHBondContact O-N 3.19Å; I549-L599 HydrophobicContact CG1-CD2 4.49Å
550	S	93.2	Very high	92.6	Very high	11 Å²	11	9.9 Å²	9.9	8%	0.077	6%	0.062	C	C	.	.	H	α-helix	trans	-64.4	-21.6	178.2	64	0	0	0	0	113.9	R493 Q547 C548 Q661	R493-S550 PolarHBondContact NH2-OG 3.03Å; Q547-S550 PolarHBondContact O-N 2.86Å; Q547-S550 PolarHBondContact O-OG 3.44Å; C548-S550 VanDerWaalsContact C-N 3.27Å; C548-S550 PolarHBondContact O-N 3.44Å; S550-Q661 WeakPolarHBondContact O-CG 3.24Å
551	S	92	Very high	91.9	Very high	10 Å²	10	10.7 Å²	10.7	7%	0.07	7%	0.065	C	C	.	.	H	α-helix	trans	-107.8	-17.6	176.5	-58.4	0	0	0	0	114.1	N489 C548 I549 Y662	N489-S551 PolarHBondContact ND2-OG 3.49Å; N489-S551 VanDerWaalsContact ND2-OG 3.09Å; C548-S551 PolarHBondContact O-N 2.9Å; I549-S551 PolarHBondContact O-N 3.49Å; S551-Y662 WeakPolarHBondContact O-CD1 3.2Å; S551-Y662 VanDerWaalsContact O-CE1 3.31Å; S551-Y662 WeakPolarHBondContact O-CE1 3.47Å
552	N	95.2	Very high	90.7	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.043	9%	0.087	C	C	.	.	H	α-helix	trans	-127.9	-4.5	-172.4	-59.6	-89.6	0	0	0	113.9	L486 I487 C548 I549 H554 L599 S604	L486-N552 HydrophobicContact CD1-CB 4.45Å; I487-N552 PolarHBondContact O-ND2 3.36Å; C548-N552 WeakPolarHBondContact O-CB 3.2Å; C548-N552 PolarHBondContact O-N 3.19Å; C548-N552 PolarHBondContact O-ND2 3.18Å; I549-N552 PolarHBondContact O-N 3.13Å; N552-H554 PolarHBondContact O-CD2 2.99Å; N552-H554 PolarHBondContact O-NE2 3.37Å; N552-L599 HydrophobicContact CB-CD1 3.64Å; N552-S604 PolarHBondContact O-OG 3.12Å
553	G	95.1	Very high	89.4	Confident	17 Å²	17	16.1 Å²	16.1	18%	0.175	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.2	177.8	0	0	0	0	0	110.9	I549	I549-G553 VanDerWaalsContact O-CA 3.3Å; I549-G553 WeakPolarHBondContact O-CA 3.32Å; I549-G553 PolarHBondContact O-N 3.19Å
554	H	94.6	Very high	87.4	Confident	42 Å²	42	21.3 Å²	21.3	19%	0.194	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.1	177.1	-64.4	-93.9	0	0	0	109.9	N552 T597 C598 Y600	N552-H554 PolarHBondContact O-CD2 2.99Å; N552-H554 PolarHBondContact O-NE2 3.37Å; H554-T597 WeakPolarHBondContact O-CA 3.43Å; H554-C598 PolarHBondContact N-O 2.83Å; H554-C598 PolarHBondContact O-N 3.03Å; H554-Y600 HydrophobicContact CB-CD2 3.95Å; H554-Y600 HydrophobicContact CB-CE2 3.96Å; H554-Y600 AromaticContact CD2-CD2 3.83Å
555	S	91.2	Very high	85.5	Confident	43 Å²	43	25.3 Å²	25.3	30%	0.301	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.4	167.6	-75.6	0	0	0	0	109.8	E594 S596	S555-E594 VanDerWaalsContact CB-OE2 3.31Å; S555-E594 WeakPolarHBondContact CB-OE2 3.5Å; S555-E594 PolarHBondContact OG-OE2 3.39Å; S555-S596 CarbonylContact C-O 3.59Å; S555-S596 WeakPolarHBondContact CA-O 3.42Å
556	L	89.2	Confident	83.3	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.7	167	-62.1	179.3	0	0	0	109	I595 S596 Y600 T618 F622	L556-I595 HydrophobicContact CB-CG1 4.5Å; L556-I595 WeakPolarHBondContact O-CG1 3.47Å; L556-I595 PolarHBondContact O-N 2.74Å; L556-S596 WeakPolarHBondContact CB-OG 3.16Å; L556-S596 PolarHBondContact N-O 3.15Å; L556-Y600 WeakPolarHBondContact CD1-OH 3.42Å; L556-Y600 HydrophobicContact CD2-CE2 4.47Å; L556-Y600 WeakPolarHBondContact CD2-OH 3.38Å; L556-T618 HydrophobicContact CB-CG2 4.26Å; L556-T618 HydrophobicContact CD1-CG2 3.97Å; L556-T618 HydrophobicContact CD2-CG2 4.15Å; L556-T618 HydrophobicContact CG-CG2 4.38Å; L556-F622 HydrophobicContact CD1-CB 3.88Å; L556-F622 HydrophobicContact CD1-CD1 3.99Å; L556-F622 HydrophobicContact CD1-CG 4.45Å
557	S	86.2	Confident	80.4	Confident	31 Å²	31	36.5 Å²	36.5	22%	0.217	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.9	177.7	-51.2	0	0	0	0	110.7	S592 N593 E594 T618	S557-S592 WeakPolarHBondContact CB-OG 3.34Å; S557-N593 CarbonylContact C-O 3.6Å; S557-N593 WeakPolarHBondContact CA-O 3.41Å; S557-E594 WeakPolarHBondContact OG-CG 3.15Å; S557-T618 PolarHBondContact O-OG1 3.32Å
558	L	83.5	Confident	77.4	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.1	174.8	-58.7	-176.4	0	0	0	110.4	N593 I595 T618 T815 G816	L558-N593 PolarHBondContact N-O 3.43Å; L558-N593 PolarHBondContact O-N 2.96Å; L558-N593 VanDerWaalsContact O-N 3.1Å; L558-I595 HydrophobicContact CB-CG2 4.38Å; L558-I595 HydrophobicContact CD1-CD1 3.39Å; L558-I595 HydrophobicContact CD1-CG1 4.21Å; L558-I595 HydrophobicContact CD1-CG2 4.35Å; L558-I595 HydrophobicContact CD2-CD1 4.24Å; L558-I595 HydrophobicContact CG-CD1 3.54Å; L558-I595 HydrophobicContact CG-CG1 3.91Å; L558-I595 HydrophobicContact CG-CG2 4.24Å; L558-T618 HydrophobicContact CD2-CG2 3.92Å; L558-T815 HydrophobicContact CD2-CG2 3.26Å; L558-G816 WeakPolarHBondContact CD2-O 3.28Å
559	P	81.2	Confident	74.4	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.8	169	-23.1	34.6	0	0	0	113	Y561 L590 D811 W817 S818	P559-Y561 HydrophobicContact CB-CE2 3.93Å; P559-L590 HydrophobicContact CB-CD1 3.89Å; P559-L590 HydrophobicContact CG-CD1 4.49Å; P559-D811 HydrophobicContact CG-CB 4.43Å; P559-W817 HydrophobicContact CB-CB 3.92Å; P559-W817 HydrophobicContact CG-CB 4.31Å; P559-W817 WeakPolarHBondContact O-CA 3.31Å; P559-W817 VanDerWaalsContact O-CB 3.31Å; P559-W817 WeakPolarHBondContact O-CB 3.42Å; P559-S818 PolarHBondContact O-N 3.03Å
560	E	81.2	Confident	71.3	Confident	17 Å²	17	51.1 Å²	51.1	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.6	170	-65.4	-170.3	163.3	0	0	111.4	R308 T591 N593 R825	R308-E560 IonicContact CZ-OE1 3.25Å; R308-E560 IonicContact NH1-OE1 3.93Å; R308-E560 PolarHBondContact NH1-OE1 3.27Å; R308-E560 IonicContact NH1-OE2 2.79Å; R308-E560 PolarHBondContact NH1-OE2 3.13Å; R308-E560 IonicContact NH2-OE1 3.8Å; R308-E560 PolarHBondContact NH2-OE1 3.39Å; E560-T591 PolarHBondContact N-O 3.47Å; E560-T591 PolarHBondContact O-OG1 2.95Å; E560-N593 PolarHBondContact OE2-ND2 3.18Å; E560-R825 IonicContact OE2-NH1 2.9Å
561	Y	80.3	Confident	68.4	Low	17 Å²	17	58 Å²	58	7%	0.067	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.2	-176.7	-55.3	-73.2	0	0	0	110.5	P559 I585 L590 L812 W817 S818 Y819 E820	P559-Y561 HydrophobicContact CB-CE2 3.93Å; Y561-I585 HydrophobicContact CD1-CB 4.19Å; Y561-I585 HydrophobicContact CD1-CD1 4.21Å; Y561-I585 HydrophobicContact CD1-CG1 3.92Å; Y561-I585 HydrophobicContact CD1-CG2 3.42Å; Y561-I585 VanDerWaalsContact CD1-CG2 3.42Å; Y561-I585 HydrophobicContact CD2-CD1 3.68Å; Y561-I585 HydrophobicContact CD2-CG1 4.13Å; Y561-I585 HydrophobicContact CE1-CB 4.19Å; Y561-I585 HydrophobicContact CE1-CD1 4.16Å; Y561-I585 HydrophobicContact CE1-CG1 4.18Å; Y561-I585 HydrophobicContact CE1-CG2 3.05Å; Y561-I585 HydrophobicContact CE2-CD1 3.62Å; Y561-I585 HydrophobicContact CE2-CG1 4.38Å; Y561-I585 HydrophobicContact CE2-CG2 4.44Å; Y561-I585 HydrophobicContact CG-CD1 3.98Å; Y561-I585 HydrophobicContact CG-CG1 3.89Å; Y561-I585 HydrophobicContact CG-CG2 4.25Å; Y561-L590 HydrophobicContact CE1-CD1 3.37Å; Y561-L590 WeakPolarHBondContact OH-CD1 3.42Å; Y561-L812 HydrophobicContact CE2-CD2 4.22Å; Y561-L812 VanDerWaalsContact OH-CD2 3.24Å; Y561-L812 WeakPolarHBondContact OH-CD2 3.33Å; Y561-W817 HydrophobicContact CD2-CD2 4.31Å; Y561-W817 AromaticContact CD2-CE3 3.49Å; Y561-W817 HydrophobicContact CD2-CE3 3.49Å; Y561-W817 VanDerWaalsContact CD2-CE3 3.49Å; Y561-W817 AromaticContact CD2-CZ3 3.83Å; Y561-W817 HydrophobicContact CD2-CZ3 3.83Å; Y561-W817 HydrophobicContact CE2-CB 4.23Å; Y561-W817 AromaticContact CE2-CD2 3.81Å; Y561-W817 HydrophobicContact CE2-CD2 3.81Å; Y561-W817 AromaticContact CE2-CE3 3.43Å; Y561-W817 HydrophobicContact CE2-CE3 3.43Å; Y561-W817 VanDerWaalsContact CE2-CE3 3.43Å; Y561-W817 HydrophobicContact CE2-CG 4.18Å; Y561-W817 AromaticContact CE2-CZ3 3.96Å; Y561-W817 HydrophobicContact CE2-CZ3 3.96Å; Y561-S818 WeakPolarHBondContact CD2-O 3.45Å; Y561-S818 PolarHBondContact N-O 3.27Å; Y561-Y819 HydrophobicContact CG-CD2 4.32Å; Y561-Y819 WeakPolarHBondContact O-CA 3.46Å; Y561-E820 PolarHBondContact O-N 3.15Å
562	I	70	Confident	65.6	Low	89 Å²	89	63.8 Å²	63.8	46%	0.456	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.4	173.7	-45.6	170	0	0	0	108.2
563	F	69.9	Low	62.8	Low	26 Å²	26	70.6 Å²	70.6	11%	0.114	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.9	165	76.6	-75.6	0	0	0	110.8	I215 E565 Y819 E820	I215-F563 WeakPolarHBondContact O-CE1 3.43Å; I215-F563 WeakPolarHBondContact O-CZ 3.37Å; F563-E565 HydrophobicContact CD2-CG 4.49Å; F563-E565 HydrophobicContact CE2-CG 3.73Å; F563-E565 HydrophobicContact CZ-CG 4.32Å; F563-Y819 HydrophobicContact CB-CE1 4.08Å; F563-Y819 HydrophobicContact CB-CE2 4.46Å; F563-Y819 WeakPolarHBondContact CB-OH 3.3Å; F563-Y819 AromaticContact CD1-CD1 3.65Å; F563-Y819 HydrophobicContact CD1-CD1 3.65Å; F563-Y819 AromaticContact CD1-CE1 3.03Å; F563-Y819 HydrophobicContact CD1-CE1 3.03Å; F563-Y819 AromaticContact CD1-CZ 3.56Å; F563-Y819 HydrophobicContact CD2-CE1 4.38Å; F563-Y819 AromaticContact CE1-CD1 3.81Å; F563-Y819 HydrophobicContact CE1-CD1 3.81Å; F563-Y819 AromaticContact CE1-CE1 3.42Å; F563-Y819 HydrophobicContact CE1-CE1 3.42Å; F563-Y819 VanDerWaalsContact CE1-CE1 3.42Å; F563-Y819 AromaticContact CG-CE1 3.58Å; F563-Y819 HydrophobicContact CG-CE1 3.58Å; F563-Y819 AromaticContact CG-CZ 3.7Å; F563-Y819 WeakPolarHBondContact CG-OH 3.41Å; F563-Y819 HydrophobicContact CZ-CE1 4.24Å; F563-E820 WeakPolarHBondContact CD1-O 3.45Å; F563-E820 PolarHBondContact N-O 2.85Å
564	T	56.2	Low	60.2	Low	109 Å²	109	76 Å²	76	67%	0.669	42%	0.418	S	S	*	.			trans	-78.9	118	163.3	32.5	0	0	0	0	107.6	N566	T564-N566 PolarHBondContact O-N 3.39Å; T564-N566 VanDerWaalsContact O-N 3.15Å
565	E	56.1	Low	57.5	Low	87 Å²	87	81.4 Å²	81.4	41%	0.407	45%	0.447	S	S	.	.			trans	-52	122.8	159.3	-71.8	171.6	-165.3	0	0	106.6	F563 T567	F563-E565 HydrophobicContact CD2-CG 4.49Å; F563-E565 HydrophobicContact CE2-CG 3.73Å; F563-E565 HydrophobicContact CZ-CG 4.32Å; E565-T567 VanDerWaalsContact C-N 3.27Å; E565-T567 PolarHBondContact O-N 3.05Å
566	N	49.3	Very low	55	Low	117 Å²	117	84 Å²	84	63%	0.626	47%	0.466	S	S	*	.			trans	-59.1	107	161	-79.6	-8.6	0	0	0	104.1	T564 T568	T564-N566 PolarHBondContact O-N 3.39Å; T564-N566 VanDerWaalsContact O-N 3.15Å; N566-T568 PolarHBondContact O-N 3.48Å
567	T	35.8	Very low	52.5	Low	117 Å²	117	90.8 Å²	90.8	72%	0.718	50%	0.502	S	S	*	.			trans	-58.4	89.4	167.4	43.6	0	0	0	0	105.9	E565 T569	E565-T567 VanDerWaalsContact C-N 3.27Å; E565-T567 PolarHBondContact O-N 3.05Å; T567-T569 PolarHBondContact O-N 3.44Å
568	T	33.8	Very low	50.4	Low	84 Å²	84	95.3 Å²	95.3	52%	0.515	52%	0.517	S	S	.	.			trans	-66.9	78.2	152.8	46.5	0	0	0	0	104.6	N566 V570 K578	N566-T568 PolarHBondContact O-N 3.48Å; T568-V570 VanDerWaalsContact C-N 3.32Å; T568-V570 PolarHBondContact O-N 3.08Å; T568-K578 HydrophobicContact CG2-CD 4.37Å
569	T	31.2	Very low	48.5	Very low	101 Å²	101	102.9 Å²	102.9	62%	0.62	55%	0.553	S	S	*	*			trans	-47.7	111	150.8	29.4	0	0	0	0	104.9	T567 H571	T567-T569 PolarHBondContact O-N 3.44Å; T569-H571 PolarHBondContact O-N 3.43Å
570	V	32.9	Very low	47.1	Very low	127 Å²	127	109.2 Å²	109.2	77%	0.77	58%	0.582	S	S	*	*	S	Bend	trans	-69.3	70.1	170.8	-177.1	0	0	0	0	106.2	T568	T568-V570 VanDerWaalsContact C-N 3.32Å; T568-V570 PolarHBondContact O-N 3.08Å
571	H	32.3	Very low	46.2	Very low	156 Å²	156	116.3 Å²	116.3	72%	0.722	61%	0.613	S	S	*	*			trans	-140.2	112.1	164.9	-82.6	-48.2	0	0	0	106.7	T569	T569-H571 PolarHBondContact O-N 3.43Å
572	N	32.6	Very low	45.3	Very low	131 Å²	131	119.3 Å²	119.3	70%	0.701	63%	0.629	S	S	*	*			trans	108.5	107.5	170.5	-55.7	-15.3	0	0	0	114.5	N574	N572-N574 PolarHBondContact O-N 3.27Å
573	N	36.3	Very low	45.3	Very low	151 Å²	151	115.7 Å²	115.7	81%	0.807	61%	0.611	S	S	*	*			trans	-72.8	43.1	178.7	-74.8	-19.1	0	0	0	113.2	I575	N573-I575 PolarHBondContact O-N 3.4Å
574	N	40.2	Very low	45.9	Very low	130 Å²	130	115.3 Å²	115.3	70%	0.695	62%	0.615	S	S	*	*			trans	-94.6	99.2	168.6	-71	-4.7	0	0	0	107.6	N572 S576	N572-N574 PolarHBondContact O-N 3.27Å; N574-S576 VanDerWaalsContact C-N 3.33Å; N574-S576 PolarHBondContact O-N 2.99Å
575	I	39	Very low	47.2	Very low	157 Å²	157	110.2 Å²	110.2	81%	0.805	58%	0.583	S	S	*	*			trans	-80.2	-4.6	-168.5	-74.6	173.5	0	0	0	113.6	N573	N573-I575 PolarHBondContact O-N 3.4Å
576	S	37.1	Very low	48.4	Very low	98 Å²	98	107.9 Å²	107.9	69%	0.685	57%	0.574	S	S	*	*	S	Bend	trans	-88.7	120.3	178.2	55.5	0	0	0	0	111.6	N574	N574-S576 VanDerWaalsContact C-N 3.33Å; N574-S576 PolarHBondContact O-N 2.99Å
577	D	37.7	Very low	50	Low	145 Å²	145	102.4 Å²	102.4	78%	0.775	55%	0.545	S	S	*	.			trans	83.2	28.6	167.3	-60.1	-24.2	0	0	0	120	Q579	D577-Q579 PolarHBondContact O-N 3.18Å
578	K	41.2	Very low	51.9	Low	125 Å²	125	102.1 Å²	102.1	54%	0.543	54%	0.539	S	S	.	.			trans	-76.9	65.6	155.3	-71.2	-175.7	-177.5	173.9	0	110.4	T568 Q580	T568-K578 HydrophobicContact CG2-CD 4.37Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 3.38Å
579	Q	44.1	Very low	53.6	Low	174 Å²	174	106 Å²	106	81%	0.813	55%	0.548	S	S	*	.			trans	-62.7	99.5	162.5	-74.9	-174	3	0	0	107.3	D577 K581	D577-Q579 PolarHBondContact O-N 3.18Å; Q579-K581 PolarHBondContact O-N 2.87Å
580	Q	52.9	Low	55.4	Low	135 Å²	135	103.2 Å²	103.2	63%	0.631	53%	0.53	S	S	*	.			trans	-57.6	113.4	174.3	-77.9	174.1	-16	0	0	107.9	K578 I582	K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 3.38Å; Q580-I582 PolarHBondContact O-N 3.02Å
581	K	60.8	Low	57.1	Low	167 Å²	167	100.3 Å²	100.3	73%	0.726	51%	0.512	S	S	*	.			trans	-67.2	118.4	-177.2	-164.6	176.3	-176.8	-179.4	0	108.2	Q579	Q579-K581 PolarHBondContact O-N 2.87Å
582	I	61.9	Low	59.2	Low	80 Å²	80	96.3 Å²	96.3	41%	0.41	50%	0.501	S	S	.	.			trans	-57.3	127.1	176.5	-61.8	167.9	0	0	0	107.9	Q580 G584	Q580-I582 PolarHBondContact O-N 3.02Å; I582-G584 PolarHBondContact O-N 2.88Å; I582-G584 VanDerWaalsContact O-N 3.12Å
583	P	70	Confident	61.6	Low	12 Å²	12	92 Å²	92	8%	0.078	48%	0.478	C	S	.	.			trans	-61.9	115.2	175.6	21.9	-29.7	0	0	0	108.8	D212 I215 S763 P764 Y819	D212-P583 WeakPolarHBondContact O-CD 3Å; D212-P583 WeakPolarHBondContact O-CG 3.18Å; I215-P583 HydrophobicContact CD1-CG 4.2Å; I215-P583 HydrophobicContact CG1-CG 4.29Å; P583-S763 VanDerWaalsContact O-CA 3.25Å; P583-S763 WeakPolarHBondContact O-CA 3.47Å; P583-P764 WeakPolarHBondContact O-CD 3.17Å; P583-Y819 WeakPolarHBondContact CA-OH 3.48Å; P583-Y819 HydrophobicContact CB-CE1 3.71Å; P583-Y819 WeakPolarHBondContact CB-OH 3.33Å
584	G	81.8	Confident	64.2	Low	19 Å²	19	89.5 Å²	89.5	20%	0.196	46%	0.462	C	S	.	.			trans	-124.9	-178.3	175	0	0	0	0	0	112	I582 F759 Q760 T762	I582-G584 PolarHBondContact O-N 2.88Å; I582-G584 VanDerWaalsContact O-N 3.12Å; G584-F759 WeakPolarHBondContact CA-O 3.47Å; G584-Q760 WeakPolarHBondContact CA-O 3.18Å; G584-T762 WeakPolarHBondContact CA-O 3.24Å
585	I	84.3	Confident	66.6	Low	1 Å²	1	83.3 Å²	83.3	1%	0.005	43%	0.429	C	S	.	.			trans	-113.9	132.8	-177.5	-67.5	172.4	0	0	0	110.1	Y561 L587 F759 Q760 M767 L812 W817 Y819	Y561-I585 HydrophobicContact CD1-CB 4.19Å; Y561-I585 HydrophobicContact CD1-CD1 4.21Å; Y561-I585 HydrophobicContact CD1-CG1 3.92Å; Y561-I585 HydrophobicContact CD1-CG2 3.42Å; Y561-I585 VanDerWaalsContact CD1-CG2 3.42Å; Y561-I585 HydrophobicContact CD2-CD1 3.68Å; Y561-I585 HydrophobicContact CD2-CG1 4.13Å; Y561-I585 HydrophobicContact CE1-CB 4.19Å; Y561-I585 HydrophobicContact CE1-CD1 4.16Å; Y561-I585 HydrophobicContact CE1-CG1 4.18Å; Y561-I585 HydrophobicContact CE1-CG2 3.05Å; Y561-I585 HydrophobicContact CE2-CD1 3.62Å; Y561-I585 HydrophobicContact CE2-CG1 4.38Å; Y561-I585 HydrophobicContact CE2-CG2 4.44Å; Y561-I585 HydrophobicContact CG-CD1 3.98Å; Y561-I585 HydrophobicContact CG-CG1 3.89Å; Y561-I585 HydrophobicContact CG-CG2 4.25Å; I585-L587 HydrophobicContact CG2-CD2 4.26Å; I585-F759 PolarHBondContact N-O 3.1Å; I585-F759 CarbonylContact O-C 3.56Å; I585-F759 WeakPolarHBondContact O-CB 3.18Å; I585-Q760 WeakPolarHBondContact O-CA 3.38Å; I585-Q760 WeakPolarHBondContact O-CG 3.35Å; I585-Q760 PolarHBondContact O-N 3.31Å; I585-Q760 VanDerWaalsContact O-N 3.1Å; I585-M767 HydrophobicContact CB-CE 3.97Å; I585-M767 HydrophobicContact CD1-CE 3.81Å; I585-M767 HydrophobicContact CD1-SD 3.77Å; I585-M767 HydrophobicContact CG1-CE 3.96Å; I585-L812 HydrophobicContact CD1-CD2 4.46Å; I585-W817 HydrophobicContact CD1-CE3 4.38Å; I585-W817 HydrophobicContact CD1-CH2 3.6Å; I585-W817 HydrophobicContact CD1-CZ2 4.37Å; I585-W817 HydrophobicContact CD1-CZ3 3.61Å; I585-Y819 HydrophobicContact CG1-CD2 4.22Å; I585-Y819 HydrophobicContact CG1-CE2 4.3Å
586	D	82.1	Confident	69.2	Low	38 Å²	38	75.9 Å²	75.9	20%	0.203	39%	0.391	C	S	.	.			trans	-94.2	104.8	172	-170	1.4	0	0	0	110.1	N588 K589 Q760	D586-N588 PolarHBondContact O-N 3.14Å; D586-N588 PolarHBondContact OD1-N 3.45Å; D586-K589 HydrophobicContact CB-CB 4.22Å; D586-K589 HydrophobicContact CB-CG 4.47Å; D586-K589 PolarHBondContact O-N 3.31Å; D586-K589 VanDerWaalsContact O-N 3.11Å; D586-K589 WeakPolarHBondContact OD2-CD 2.84Å; D586-K589 VanDerWaalsContact OD2-CE 3.31Å; D586-K589 WeakPolarHBondContact OD2-CE 2.83Å; D586-K589 VanDerWaalsContact OD2-CG 3.31Å; D586-K589 WeakPolarHBondContact OD2-CG 3.34Å; D586-K589 IonicContact OD2-NZ 2.88Å; D586-Q760 HydrophobicContact CB-CG 4.14Å; D586-Q760 PolarHBondContact OD1-NE2 3.18Å
587	L	82.4	Confident	72	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.016	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-61.4	-24.5	179.6	-62.1	-179.7	0	0	0	112.5	I585 K589 I755 F759 M805 Q808 L812	I585-L587 HydrophobicContact CG2-CD2 4.26Å; L587-K589 VanDerWaalsContact C-N 3.33Å; L587-I755 HydrophobicContact CD1-CG2 4.37Å; L587-F759 HydrophobicContact CD1-CB 4.26Å; L587-F759 HydrophobicContact CD1-CD1 4.29Å; L587-F759 HydrophobicContact CD1-CD2 3.67Å; L587-F759 HydrophobicContact CD1-CE2 4.03Å; L587-F759 HydrophobicContact CD1-CG 3.81Å; L587-F759 HydrophobicContact CD1-CZ 4.48Å; L587-F759 HydrophobicContact CD2-CD1 4.09Å; L587-F759 HydrophobicContact CD2-CG 4.27Å; L587-F759 HydrophobicContact CG-CB 4.1Å; L587-F759 HydrophobicContact CG-CD1 4.39Å; L587-F759 HydrophobicContact CG-CD2 4.4Å; L587-F759 HydrophobicContact CG-CG 4.06Å; L587-M805 HydrophobicContact CD1-CE 4.14Å; L587-M805 HydrophobicContact CD1-SD 3.85Å; L587-Q808 PolarHBondContact O-OE1 3.13Å; L587-L812 HydrophobicContact CD2-CD1 3.82Å
588	N	75.8	Confident	74.8	Confident	111 Å²	111	64.7 Å²	64.7	59%	0.594	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-82.8	-9.7	179.7	-63.3	-31.7	0	0	0	113.5	D586	D586-N588 PolarHBondContact O-N 3.14Å; D586-N588 PolarHBondContact OD1-N 3.45Å
589	K	69.8	Low	77.4	Confident	164 Å²	164	58.8 Å²	58.8	71%	0.713	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-116.7	27.4	-179.7	-65.8	-176.7	-173.8	175	0	112.3	D586 L587 T591	D586-K589 HydrophobicContact CB-CB 4.22Å; D586-K589 HydrophobicContact CB-CG 4.47Å; D586-K589 PolarHBondContact O-N 3.31Å; D586-K589 VanDerWaalsContact O-N 3.11Å; D586-K589 WeakPolarHBondContact OD2-CD 2.84Å; D586-K589 VanDerWaalsContact OD2-CE 3.31Å; D586-K589 WeakPolarHBondContact OD2-CE 2.83Å; D586-K589 VanDerWaalsContact OD2-CG 3.31Å; D586-K589 WeakPolarHBondContact OD2-CG 3.34Å; D586-K589 IonicContact OD2-NZ 2.88Å; L587-K589 VanDerWaalsContact C-N 3.33Å; K589-T591 PolarHBondContact O-N 2.78Å; K589-T591 VanDerWaalsContact O-N 3.08Å
590	L	68.2	Low	79.9	Confident	44 Å²	44	50.5 Å²	50.5	23%	0.23	26%	0.259	C	S	.	.			trans	-65.1	108.5	-179.2	-166.2	75.8	0	0	0	110.2	P559 Y561 Q808	P559-L590 HydrophobicContact CB-CD1 3.89Å; P559-L590 HydrophobicContact CG-CD1 4.49Å; Y561-L590 HydrophobicContact CE1-CD1 3.37Å; Y561-L590 WeakPolarHBondContact OH-CD1 3.42Å; L590-Q808 HydrophobicContact CD2-CG 3.96Å
591	T	68.5	Low	81.9	Confident	66 Å²	66	44.2 Å²	44.2	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.1	164.6	56.2	0	0	0	0	108.3	E560 K589	E560-T591 PolarHBondContact N-O 3.47Å; E560-T591 PolarHBondContact O-OG1 2.95Å; K589-T591 PolarHBondContact O-N 2.78Å; K589-T591 VanDerWaalsContact O-N 3.08Å
592	S	77.1	Confident	83.5	Confident	71 Å²	71	36.3 Å²	36.3	50%	0.497	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.3	170.6	-163.9	0	0	0	0	108.4	S557	S557-S592 WeakPolarHBondContact CB-OG 3.34Å
593	N	82.9	Confident	85.1	Confident	41 Å²	41	32.8 Å²	32.8	22%	0.219	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	179.5	-74.9	-29.7	0	0	0	109.4	S557 L558 E560 I595	S557-N593 CarbonylContact C-O 3.6Å; S557-N593 WeakPolarHBondContact CA-O 3.41Å; L558-N593 PolarHBondContact N-O 3.43Å; L558-N593 PolarHBondContact O-N 2.96Å; L558-N593 VanDerWaalsContact O-N 3.1Å; E560-N593 PolarHBondContact OE2-ND2 3.18Å; N593-I595 WeakPolarHBondContact O-CG2 3.34Å; N593-I595 PolarHBondContact O-N 2.81Å
594	E	89.6	Confident	86.4	Confident	99 Å²	99	32.9 Å²	32.9	46%	0.463	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	125.8	169.2	-63.6	-168.9	-172.4	0	0	109.1	H305 S555 S557	H305-E594 IonicContact CE1-OE2 3.01Å; H305-E594 PolarHBondContact CE1-OE2 3.34Å; S555-E594 VanDerWaalsContact CB-OE2 3.31Å; S555-E594 WeakPolarHBondContact CB-OE2 3.5Å; S555-E594 PolarHBondContact OG-OE2 3.39Å; S557-E594 WeakPolarHBondContact OG-CG 3.15Å
595	I	91.1	Very high	87	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-22.5	-177.1	61.3	148	0	0	0	114.5	L304 H305 R308 L556 L558 N593	L304-I595 CarbonylContact C-O 3.55Å; L304-I595 VanDerWaalsContact CA-O 3.29Å; L304-I595 WeakPolarHBondContact CA-O 3.41Å; L304-I595 WeakPolarHBondContact CD2-O 3.48Å; H305-I595 PolarHBondContact N-O 3.32Å; R308-I595 HydrophobicContact CG-CB 4.01Å; R308-I595 HydrophobicContact CG-CG2 4.08Å; L556-I595 HydrophobicContact CB-CG1 4.5Å; L556-I595 WeakPolarHBondContact O-CG1 3.47Å; L556-I595 PolarHBondContact O-N 2.74Å; L558-I595 HydrophobicContact CB-CG2 4.38Å; L558-I595 HydrophobicContact CD1-CD1 3.39Å; L558-I595 HydrophobicContact CD1-CG1 4.21Å; L558-I595 HydrophobicContact CD1-CG2 4.35Å; L558-I595 HydrophobicContact CD2-CD1 4.24Å; L558-I595 HydrophobicContact CG-CD1 3.54Å; L558-I595 HydrophobicContact CG-CG1 3.91Å; L558-I595 HydrophobicContact CG-CG2 4.24Å; N593-I595 WeakPolarHBondContact O-CG2 3.34Å; N593-I595 PolarHBondContact O-N 2.81Å
596	S	94.1	Very high	87.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	156.8	-177	55.9	0	0	0	0	111.7	R303 H305 S555 L556	R303-S596 CarbonylContact O-C 3.31Å; R303-S596 WeakPolarHBondContact O-CA 3.34Å; R303-S596 WeakPolarHBondContact O-CB 3.41Å; H305-S596 VanDerWaalsContact CD2-CA 3.49Å; H305-S596 WeakPolarHBondContact CD2-CA 3.44Å; H305-S596 VanDerWaalsContact NE2-C 3.31Å; S555-S596 CarbonylContact C-O 3.59Å; S555-S596 WeakPolarHBondContact CA-O 3.42Å; L556-S596 WeakPolarHBondContact CB-OG 3.16Å; L556-S596 PolarHBondContact N-O 3.15Å
597	T	95.8	Very high	88.2	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.055	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138	167.2	-57.9	0	0	0	0	109.4	C302 R303 H305 L425 H554	C302-T597 CarbonylContact C-O 3.52Å; C302-T597 WeakPolarHBondContact CA-O 3.3Å; R303-T597 PolarHBondContact N-O 2.77Å; R303-T597 PolarHBondContact O-N 3.28Å; H305-T597 PolarHBondContact NE2-N 3.33Å; H305-T597 PolarHBondContact NE2-OG1 3.17Å; L425-T597 HydrophobicContact CD2-CG2 3.9Å; H554-T597 WeakPolarHBondContact O-CA 3.43Å
598	C	96.5	Very high	88.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.6	-171.2	-67.7	0	0	0	0	111.1	P299 S301 C302 H554 Y600	P299-C598 HydrophobicContact CB-CB 4.11Å; S301-C598 WeakPolarHBondContact O-CA 3.36Å; C302-C598 HydrophobicContact CB-CB 4.13Å; C302-C598 WeakPolarHBondContact CB-SG 3.34Å; C302-C598 WeakPolarHBondContact SG-CB 3.12Å; C302-C598 CovalentContact SG-SG 2.02Å; C302-C598 PolarHBondContact SG-SG 3.35Å; H554-C598 PolarHBondContact N-O 2.83Å; H554-C598 PolarHBondContact O-N 3.03Å; C598-Y600 HydrophobicContact CB-CD2 3.96Å; C598-Y600 HydrophobicContact CB-CE2 3.27Å
599	L	96.6	Very high	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.4	170.9	-171.8	65	0	0	0	109.3	P299 Y300 S301 L425 L429 V483 L486 I549 N552	P299-L599 CarbonylContact C-O 3.18Å; P299-L599 WeakPolarHBondContact CA-O 3.34Å; Y300-L599 PolarHBondContact N-O 3.1Å; S301-L599 PolarHBondContact O-N 3.15Å; L425-L599 HydrophobicContact CD2-CB 4.33Å; L429-L599 HydrophobicContact CD1-CD2 3.63Å; L429-L599 HydrophobicContact CD2-CB 4.43Å; L429-L599 HydrophobicContact CD2-CD2 4.1Å; V483-L599 HydrophobicContact CB-CD2 3.83Å; V483-L599 HydrophobicContact CB-CG 4.34Å; V483-L599 HydrophobicContact CG1-CD2 4.17Å; V483-L599 HydrophobicContact CG1-CG 4.16Å; V483-L599 HydrophobicContact CG2-CD2 4.37Å; L486-L599 HydrophobicContact CD1-CD1 3.91Å; L486-L599 HydrophobicContact CD1-CD2 4.46Å; L486-L599 HydrophobicContact CD1-CG 4.2Å; I549-L599 HydrophobicContact CG1-CD2 4.49Å; N552-L599 HydrophobicContact CB-CD1 3.64Å
600	Y	95.8	Very high	91.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.			trans	-118.8	133.8	-171.3	-73.3	-86.4	0	0	0	110.9	D297 P299 H554 L556 C598 V602 L603 S604 F622 C624	D297-Y600 HydrophobicContact CB-CD1 4.08Å; D297-Y600 WeakPolarHBondContact OD2-CB 3.42Å; P299-Y600 HydrophobicContact CB-CD1 3.85Å; P299-Y600 HydrophobicContact CB-CE1 3.59Å; P299-Y600 HydrophobicContact CB-CE2 4.41Å; P299-Y600 HydrophobicContact CB-CG 4.33Å; P299-Y600 VanDerWaalsContact CD-CE1 3.49Å; P299-Y600 HydrophobicContact CG-CE1 3.89Å; H554-Y600 HydrophobicContact CB-CD2 3.95Å; H554-Y600 HydrophobicContact CB-CE2 3.96Å; H554-Y600 AromaticContact CD2-CD2 3.83Å; L556-Y600 WeakPolarHBondContact CD1-OH 3.42Å; L556-Y600 HydrophobicContact CD2-CE2 4.47Å; L556-Y600 WeakPolarHBondContact CD2-OH 3.38Å; C598-Y600 HydrophobicContact CB-CD2 3.96Å; C598-Y600 HydrophobicContact CB-CE2 3.27Å; Y600-V602 PolarHBondContact O-N 3.37Å; Y600-L603 HydrophobicContact CD1-CD2 4.34Å; Y600-L603 HydrophobicContact CD2-CB 4.41Å; Y600-L603 HydrophobicContact CD2-CD2 3.98Å; Y600-L603 HydrophobicContact CE2-CD2 4.24Å; Y600-L603 HydrophobicContact CG-CB 4.09Å; Y600-L603 HydrophobicContact CG-CD2 4.05Å; Y600-S604 VanDerWaalsContact O-CB 3.28Å; Y600-S604 WeakPolarHBondContact O-CB 3.48Å; Y600-S604 PolarHBondContact O-OG 3.49Å; Y600-F622 PolarHBondContact OH-O 2.98Å; Y600-C624 HydrophobicContact CE1-CB 3.99Å
601	P	94.7	Very high	92.6	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.026	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-40.2	178.2	-26.8	36.7	0	0	0	114.9	I258 K298 V483 L605	I258-P601 HydrophobicContact CG1-CB 4.13Å; K298-P601 WeakPolarHBondContact O-CD 3.4Å; V483-P601 HydrophobicContact CG1-CG 4Å; P601-L605 WeakPolarHBondContact O-CG 3.1Å
602	V	95.2	Very high	93.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-40.3	-171.4	-176.6	0	0	0	0	112	I258 L262 I282 I295 D297 Y600 S604 L605	I258-V602 HydrophobicContact CB-CG2 4.33Å; I258-V602 HydrophobicContact CG1-CG2 4.4Å; I258-V602 HydrophobicContact CG2-CG2 4.03Å; L262-V602 HydrophobicContact CD2-CG1 3.64Å; L262-V602 HydrophobicContact CG-CG1 4.17Å; I282-V602 HydrophobicContact CD1-CG1 3.67Å; I295-V602 HydrophobicContact CD1-CG1 4.19Å; I295-V602 HydrophobicContact CG2-CG1 4.02Å; D297-V602 VanDerWaalsContact OD2-CA 3.28Å; D297-V602 WeakPolarHBondContact OD2-CA 3.2Å; D297-V602 VanDerWaalsContact OD2-CB 3.26Å; D297-V602 WeakPolarHBondContact OD2-CB 3.47Å; D297-V602 PolarHBondContact OD2-N 2.85Å; Y600-V602 PolarHBondContact O-N 3.37Å; V602-S604 PolarHBondContact O-N 2.7Å; V602-L605 WeakPolarHBondContact O-CB 3.49Å; V602-L605 PolarHBondContact O-N 3.5Å
603	L	95.7	Very high	94.9	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-58.5	-33.9	175.9	-98.7	61.7	0	0	0	112.4	D297 Y600 L605 I606 C624 I626	D297-L603 HydrophobicContact CB-CD1 3.35Å; D297-L603 PolarHBondContact OD2-N 3.36Å; Y600-L603 HydrophobicContact CD1-CD2 4.34Å; Y600-L603 HydrophobicContact CD2-CB 4.41Å; Y600-L603 HydrophobicContact CD2-CD2 3.98Å; Y600-L603 HydrophobicContact CE2-CD2 4.24Å; Y600-L603 HydrophobicContact CG-CB 4.09Å; Y600-L603 HydrophobicContact CG-CD2 4.05Å; L603-L605 PolarHBondContact O-N 2.98Å; L603-I606 HydrophobicContact CG-CD1 4.49Å; L603-I606 WeakPolarHBondContact O-CB 3.48Å; L603-I606 PolarHBondContact O-N 3.27Å; L603-I606 VanDerWaalsContact O-N 3.16Å; L603-C624 HydrophobicContact CD1-CB 4.45Å; L603-C624 HydrophobicContact CD2-CB 3.62Å; L603-I626 HydrophobicContact CD1-CD1 3.9Å; L603-I626 HydrophobicContact CD1-CG1 3.94Å; L603-I626 HydrophobicContact CD2-CD1 4.44Å; L603-I626 HydrophobicContact CG-CD1 4.06Å
604	S	95.7	Very high	95.7	Very high	14 Å²	14	11.1 Å²	11.1	10%	0.098	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-69.3	-7.7	176.5	-60.7	0	0	0	0	113.8	N552 Y600 V602	N552-S604 PolarHBondContact O-OG 3.12Å; Y600-S604 VanDerWaalsContact O-CB 3.28Å; Y600-S604 WeakPolarHBondContact O-CB 3.48Å; Y600-S604 PolarHBondContact O-OG 3.49Å; V602-S604 PolarHBondContact O-N 2.7Å
605	L	94.6	Very high	96	Very high	11 Å²	11	6.8 Å²	6.8	6%	0.058	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-99.5	1.3	175.2	-51.3	175.9	0	0	0	112.8	L272 W280 W485 L486 P601 V602 L603	L272-L605 HydrophobicContact CD1-CB 4.32Å; L272-L605 HydrophobicContact CD1-CD1 3.76Å; L272-L605 HydrophobicContact CD2-CD1 4.22Å; W280-L605 HydrophobicContact CB-CD2 4.44Å; W485-L605 HydrophobicContact CH2-CD1 4.45Å; W485-L605 HydrophobicContact CH2-CD2 3.72Å; W485-L605 HydrophobicContact CZ2-CD1 4.03Å; W485-L605 HydrophobicContact CZ2-CD2 3.62Å; W485-L605 HydrophobicContact CZ2-CG 4.43Å; L486-L605 HydrophobicContact CD2-CD2 3.98Å; P601-L605 WeakPolarHBondContact O-CG 3.1Å; V602-L605 WeakPolarHBondContact O-CB 3.49Å; V602-L605 PolarHBondContact O-N 3.5Å; L603-L605 PolarHBondContact O-N 2.98Å
606	I	96.5	Very high	96.1	Very high	6 Å²	6	9.7 Å²	9.7	3%	0.031	5%	0.054	C	C	.	.			trans	-86.4	116	175.9	-63.4	174	0	0	0	108.9	I282 I295 L603 I626 Y642	I282-I606 HydrophobicContact CD1-CG1 3.81Å; I295-I606 HydrophobicContact CD1-CD1 4.24Å; L603-I606 HydrophobicContact CG-CD1 4.49Å; L603-I606 WeakPolarHBondContact O-CB 3.48Å; L603-I606 PolarHBondContact O-N 3.27Å; L603-I606 VanDerWaalsContact O-N 3.16Å; I606-I626 HydrophobicContact CD1-CD1 4.18Å; I606-I626 HydrophobicContact CD1-CG1 4.1Å; I606-Y642 WeakPolarHBondContact O-CE1 3.23Å; I606-Y642 PolarHBondContact O-OH 3.25Å
607	N	95.6	Very high	96	Very high	38 Å²	38	9.7 Å²	9.7	20%	0.203	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	154.9	178.6	-77.5	-18.1	0	0	0	112.3	F278 Y639 G640	F278-N607 PolarHBondContact O-ND2 3.14Å; N607-Y639 HydrophobicContact CB-CD1 4.25Å; N607-Y639 HydrophobicContact CB-CE1 4.27Å; N607-Y639 WeakPolarHBondContact O-CA 2.98Å; N607-G640 PolarHBondContact O-N 3.46Å
608	H	96.7	Very high	95.8	Very high	13 Å²	13	9.7 Å²	9.7	6%	0.06	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.2	-179.7	-178.8	81	0	0	0	113.1	C610 G640 N641 Y642 F664	H608-C610 PolarHBondContact NE2-N 3.38Å; H608-C610 PolarHBondContact NE2-SG 2.75Å; H608-G640 CarbonylContact C-O 3.53Å; H608-G640 WeakPolarHBondContact CA-O 3.25Å; H608-N641 PolarHBondContact CE1-ND2 2.86Å; H608-Y642 HydrophobicContact CB-CD1 4.07Å; H608-Y642 HydrophobicContact CB-CD2 3.73Å; H608-Y642 HydrophobicContact CB-CE1 4.01Å; H608-Y642 HydrophobicContact CB-CE2 3.69Å; H608-Y642 HydrophobicContact CB-CG 3.92Å; H608-Y642 PolarHBondContact CE1-N 2.94Å; H608-Y642 AromaticContact CG-CG 3.97Å; H608-Y642 WeakPolarHBondContact ND1-CB 3.28Å; H608-Y642 AromaticContact ND1-CD1 3.81Å; H608-Y642 AromaticContact ND1-CD2 3.89Å; H608-Y642 AromaticContact ND1-CG 3.39Å; H608-Y642 PolarHBondContact ND1-N 3.01Å; H608-F664 HydrophobicContact CB-CZ 3.81Å
609	S	97.7	Very high	95.5	Very high	7 Å²	7	9.7 Å²	9.7	5%	0.049	5%	0.054	C	C	.	.			trans	-129.2	140.2	153	179.6	0	0	0	0	109.2	D611 G640 N641 C668	S609-D611 WeakPolarHBondContact CB-O 3.38Å; S609-D611 PolarHBondContact O-N 3.49Å; S609-D611 WeakPolarHBondContact OG-CA 3.48Å; S609-D611 PolarHBondContact OG-N 2.99Å; S609-D611 PolarHBondContact OG-O 2.94Å; S609-G640 PolarHBondContact N-O 3.48Å; S609-N641 PolarHBondContact O-ND2 3.11Å; S609-C668 WeakPolarHBondContact OG-CB 3.35Å
610	C	97.3	Very high	95	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-68.8	-11.3	167.9	-54.6	0	0	0	0	112.2	H608 H645 Y646 R654 C668 A670 C671	H608-C610 PolarHBondContact NE2-N 3.38Å; H608-C610 PolarHBondContact NE2-SG 2.75Å; C610-H645 WeakPolarHBondContact O-CA 3.47Å; C610-H645 PolarHBondContact O-CD2 3.17Å; C610-Y646 WeakPolarHBondContact O-CD1 3.45Å; C610-Y646 PolarHBondContact O-N 2.83Å; C610-R654 PolarHBondContact SG-NH1 3.24Å; C610-R654 VanDerWaalsContact SG-NH1 3.37Å; C610-C668 PolarHBondContact N-SG 3.49Å; C610-A670 HydrophobicContact CB-CB 4.42Å; C610-C671 PolarHBondContact SG-SG 3.29Å
611	D	96.1	Very high	94.6	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.043	8%	0.078	C	C	.	.	S	Bend	trans	-126	78.6	172	-177.2	34.6	0	0	0	110.3	S609 R630 Y646 A670 W675 R794	S609-D611 WeakPolarHBondContact CB-O 3.38Å; S609-D611 PolarHBondContact O-N 3.49Å; S609-D611 WeakPolarHBondContact OG-CA 3.48Å; S609-D611 PolarHBondContact OG-N 2.99Å; S609-D611 PolarHBondContact OG-O 2.94Å; D611-R630 IonicContact OD1-NH1 2.65Å; D611-R630 IonicContact OD2-NH1 2.78Å; D611-R630 PolarHBondContact OD2-NH1 2.98Å; D611-Y646 HydrophobicContact CB-CD1 3.98Å; D611-Y646 HydrophobicContact CB-CE1 4.17Å; D611-A670 HydrophobicContact CB-CB 3.98Å; D611-W675 HydrophobicContact CB-CZ3 4.15Å; D611-R794 VanDerWaalsContact CG-CZ 3.48Å; D611-R794 IonicContact OD1-CZ 3.62Å; D611-R794 IonicContact OD1-NE 2.54Å; D611-R794 IonicContact OD1-NH1 3.69Å; D611-R794 PolarHBondContact OD1-NH1 3.39Å; D611-R794 IonicContact OD1-NH2 3.11Å; D611-R794 PolarHBondContact OD1-NH2 2.85Å; D611-R794 IonicContact OD2-CZ 3.49Å; D611-R794 IonicContact OD2-NE 2.7Å; D611-R794 IonicContact OD2-NH1 2.84Å; D611-R794 PolarHBondContact OD2-NH1 3.44Å
612	P	97.6	Very high	94.4	Very high	7 Å²	7	14.7 Å²	14.7	5%	0.045	8%	0.076	C	C	.	.			trans	-70.4	162.3	-171	32.7	-38.4	0	0	0	112.5	I629 Y639 N641 H645	P612-I629 HydrophobicContact CG-CD1 4.18Å; P612-Y639 WeakPolarHBondContact CA-O 3.25Å; P612-Y639 VanDerWaalsContact CB-O 3.3Å; P612-Y639 WeakPolarHBondContact CB-O 3.48Å; P612-N641 HydrophobicContact CB-CB 4Å; P612-N641 HydrophobicContact CG-CB 3.83Å; P612-H645 VanDerWaalsContact CD-CD2 3.47Å; P612-H645 WeakPolarHBondContact CD-CD2 3.22Å
613	N	97.8	Very high	94.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-111.8	-6.2	171.7	62.1	16.1	0	0	0	113.5	I629 R630 I632 E636 I637 Y639	N613-I629 WeakPolarHBondContact O-CG1 3.42Å; N613-I629 PolarHBondContact O-N 3.02Å; N613-R630 HydrophobicContact CB-CG 3.79Å; N613-I632 HydrophobicContact CB-CD1 3.95Å; N613-I632 HydrophobicContact CB-CG1 3.92Å; N613-E636 PolarHBondContact ND2-OE1 2.98Å; N613-I637 PolarHBondContact ND2-O 3.29Å; N613-Y639 PolarHBondContact N-O 3.32Å; N613-Y639 PolarHBondContact OD1-N 2.87Å; N613-Y639 PolarHBondContact OD1-O 3.45Å
614	I	98.1	Very high	94.2	Very high	10 Å²	10	15.8 Å²	15.8	5%	0.051	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	164.5	172	63.5	73	0	0	0	112.3	L294 I626 Y627 I632 I638 Y639	L294-I614 HydrophobicContact CD1-CG2 3.83Å; I614-I626 HydrophobicContact CB-CG2 3.62Å; I614-I626 HydrophobicContact CD1-CD1 4.48Å; I614-I626 HydrophobicContact CD1-CG2 3.87Å; I614-I626 HydrophobicContact CG1-CG2 3.69Å; I614-I626 HydrophobicContact CG2-CG2 3.9Å; I614-Y627 CarbonylContact C-O 3.57Å; I614-Y627 WeakPolarHBondContact CA-O 3.44Å; I614-Y627 VanDerWaalsContact CB-O 3.29Å; I614-Y627 WeakPolarHBondContact CB-O 3.25Å; I614-I632 HydrophobicContact CG2-CD1 4.13Å; I614-I638 HydrophobicContact CB-CG2 4.41Å; I614-I638 HydrophobicContact CG1-CG2 3.81Å; I614-I638 HydrophobicContact CG2-CG2 3.66Å; I614-Y639 PolarHBondContact N-O 3.17Å
615	T	95.9	Very high	94.1	Very high	9 Å²	9	15.1 Å²	15.1	6%	0.055	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.7	162.9	-169.2	0	0	0	0	110	V617 I626 Y627 I629 K807	T615-V617 HydrophobicContact CG2-CG2 4.4Å; T615-I626 WeakPolarHBondContact O-CA 3.44Å; T615-Y627 PolarHBondContact N-O 3.07Å; T615-Y627 PolarHBondContact O-N 3.26Å; T615-I629 HydrophobicContact CG2-CG2 3.52Å; T615-K807 HydrophobicContact CG2-CB 4.05Å; T615-K807 HydrophobicContact CG2-CG 4.08Å; T615-K807 VanDerWaalsContact OG1-CD 3.24Å; T615-K807 WeakPolarHBondContact OG1-CD 3.06Å; T615-K807 WeakPolarHBondContact OG1-CG 3.2Å
616	N	93.9	Very high	94.2	Very high	61 Å²	61	14.7 Å²	14.7	33%	0.326	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	143.8	168.2	58.2	-29.9	0	0	0	110.9	C624 A625 I626	N616-C624 VanDerWaalsContact CB-SG 3.59Å; N616-A625 CarbonylContact C-O 3.59Å; N616-A625 WeakPolarHBondContact CA-O 3.46Å; N616-I626 HydrophobicContact CB-CD1 3.95Å
617	V	92.5	Very high	94.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.7	175.6	175.5	0	0	0	0	107.6	T615 I619 A625 Y627 L810 H814 T815	T615-V617 HydrophobicContact CG2-CG2 4.4Å; V617-I619 HydrophobicContact CG1-CD1 3.93Å; V617-A625 HydrophobicContact CB-CB 4.49Å; V617-A625 PolarHBondContact N-O 3.39Å; V617-A625 PolarHBondContact O-N 2.92Å; V617-Y627 HydrophobicContact CB-CD2 4.18Å; V617-Y627 HydrophobicContact CB-CE2 4.13Å; V617-Y627 HydrophobicContact CG2-CD2 3.74Å; V617-Y627 HydrophobicContact CG2-CE2 4.07Å; V617-L810 HydrophobicContact CG2-CB 3.83Å; V617-L810 HydrophobicContact CG2-CD1 4.44Å; V617-H814 HydrophobicContact CG1-CB 4.02Å; V617-T815 WeakPolarHBondContact CG1-OG1 3.49Å
618	T	90.9	Very high	94.4	Very high	8 Å²	8	13.2 Å²	13.2	5%	0.049	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.7	180	-56.4	0	0	0	0	109.6	L556 S557 L558 T815	L556-T618 HydrophobicContact CB-CG2 4.26Å; L556-T618 HydrophobicContact CD1-CG2 3.97Å; L556-T618 HydrophobicContact CD2-CG2 4.15Å; L556-T618 HydrophobicContact CG-CG2 4.38Å; S557-T618 PolarHBondContact O-OG1 3.32Å; L558-T618 HydrophobicContact CD2-CG2 3.92Å; T618-T815 PolarHBondContact N-OG1 3.45Å; T618-T815 WeakPolarHBondContact O-CA 3.39Å; T618-T815 VanDerWaalsContact O-CB 3.24Å; T618-T815 WeakPolarHBondContact O-CB 3.33Å; T618-T815 PolarHBondContact O-OG1 3.09Å
619	I	89.7	Confident	94.4	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.065	C	C	.	.			trans	-109.1	-178.4	-177.7	-54.7	-60	0	0	0	109.6	K223 L225 L296 V617 Q623 A625 H814	K223-I619 VanDerWaalsContact O-CG2 3.3Å; K223-I619 WeakPolarHBondContact O-CG2 3.28Å; L225-I619 HydrophobicContact CD1-CD1 3.67Å; L225-I619 HydrophobicContact CD1-CG1 4.04Å; L225-I619 HydrophobicContact CD1-CG2 4.34Å; L225-I619 HydrophobicContact CG-CD1 4.3Å; L225-I619 HydrophobicContact CG-CG2 4.19Å; L296-I619 HydrophobicContact CD1-CG1 4.24Å; V617-I619 HydrophobicContact CG1-CD1 3.93Å; I619-Q623 HydrophobicContact CB-CB 3.99Å; I619-Q623 HydrophobicContact CG2-CB 4.37Å; I619-Q623 PolarHBondContact N-O 3.05Å; I619-A625 HydrophobicContact CD1-CB 3.81Å; I619-A625 HydrophobicContact CG1-CB 3.58Å; I619-H814 HydrophobicContact CD1-CB 3.61Å
620	D	86.1	Confident	94.4	Very high	24 Å²	24	13.9 Å²	13.9	13%	0.128	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-56	147.9	176.1	81.4	-48.9	0	0	0	112.3	A222 S224 F622 Q623	A222-D620 HydrophobicContact CB-CB 4Å; S224-D620 WeakPolarHBondContact CA-OD1 3.31Å; S224-D620 WeakPolarHBondContact CB-OD2 3.37Å; S224-D620 PolarHBondContact OG-OD1 2.91Å; S224-D620 PolarHBondContact OG-OD2 3.08Å; D620-F622 VanDerWaalsContact C-N 3.29Å; D620-F622 PolarHBondContact O-N 2.76Å; D620-Q623 WeakPolarHBondContact O-CB 3.5Å; D620-Q623 PolarHBondContact O-N 3.43Å
621	K	87.3	Confident	94.4	Very high	84 Å²	84	14.4 Å²	14.4	37%	0.365	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	56.5	40.2	172.2	-67	178.2	-179.4	-179.3	0	113.8	L365 Q623	L365-K621 HydrophobicContact CD1-CD 4.27Å; L365-K621 HydrophobicContact CD1-CG 4.44Å; L365-K621 HydrophobicContact CD2-CB 3.66Å; L365-K621 HydrophobicContact CD2-CG 4.1Å; K621-Q623 PolarHBondContact O-N 3.35Å
622	F	91.5	Very high	94.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	63.2	13.4	-179.4	-46.6	-91	0	0	0	114.6	P299 C302 L304 R315 L365 P366 L556 Y600 D620	P299-F622 WeakPolarHBondContact CD-O 3.45Å; P299-F622 HydrophobicContact CG-CB 3.92Å; P299-F622 WeakPolarHBondContact CG-O 3.44Å; C302-F622 HydrophobicContact CB-CB 4.33Å; C302-F622 HydrophobicContact CB-CD1 3.88Å; C302-F622 HydrophobicContact CB-CD2 4.41Å; C302-F622 HydrophobicContact CB-CE1 4.21Å; C302-F622 HydrophobicContact CB-CG 3.99Å; C302-F622 VanDerWaalsContact SG-CB 3.51Å; L304-F622 HydrophobicContact CD2-CE1 4.12Å; L304-F622 HydrophobicContact CD2-CZ 4.41Å; R315-F622 WeakPolarHBondContact O-CE2 3.46Å; L365-F622 HydrophobicContact CD2-CD2 3.8Å; L365-F622 HydrophobicContact CD2-CE2 4.11Å; P366-F622 VanDerWaalsContact CD-CE2 3.45Å; P366-F622 HydrophobicContact CG-CE2 3.8Å; P366-F622 HydrophobicContact CG-CZ 3.93Å; L556-F622 HydrophobicContact CD1-CB 3.88Å; L556-F622 HydrophobicContact CD1-CD1 3.99Å; L556-F622 HydrophobicContact CD1-CG 4.45Å; Y600-F622 PolarHBondContact OH-O 2.98Å; D620-F622 VanDerWaalsContact C-N 3.29Å; D620-F622 PolarHBondContact O-N 2.76Å
623	Q	92.3	Very high	94.4	Very high	30 Å²	30	20.7 Å²	20.7	14%	0.14	10%	0.099	C	C	.	.			trans	-69.4	157.8	173.2	-69.9	177.3	63.1	0	0	110.5	L296 D297 K298 I619 D620 K621	L296-Q623 HydrophobicContact CD1-CB 4.28Å; D297-Q623 WeakPolarHBondContact O-CA 3.13Å; K298-Q623 HydrophobicContact CB-CG 4.47Å; K298-Q623 HydrophobicContact CG-CG 4.38Å; I619-Q623 HydrophobicContact CB-CB 3.99Å; I619-Q623 HydrophobicContact CG2-CB 4.37Å; I619-Q623 PolarHBondContact N-O 3.05Å; D620-Q623 WeakPolarHBondContact O-CB 3.5Å; D620-Q623 PolarHBondContact O-N 3.43Å; K621-Q623 PolarHBondContact O-N 3.35Å
624	C	93.6	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.9	176.6	-165.2	0	0	0	0	110.7	D297 Y600 L603 N616	D297-C624 PolarHBondContact N-O 2.9Å; D297-C624 PolarHBondContact O-N 2.77Å; Y600-C624 HydrophobicContact CE1-CB 3.99Å; L603-C624 HydrophobicContact CD1-CB 4.45Å; L603-C624 HydrophobicContact CD2-CB 3.62Å; N616-C624 VanDerWaalsContact CB-SG 3.59Å
625	A	94.6	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.7	171.6	0	0	0	0	0	110.3	L225 L293 I295 L296 N616 V617 I619 Y627	L225-A625 HydrophobicContact CD1-CB 3.97Å; L293-A625 HydrophobicContact CD1-CB 3.7Å; I295-A625 CarbonylContact O-C 3.19Å; I295-A625 WeakPolarHBondContact O-CA 3.4Å; L296-A625 HydrophobicContact CD1-CB 4.21Å; N616-A625 CarbonylContact C-O 3.59Å; N616-A625 WeakPolarHBondContact CA-O 3.46Å; V617-A625 HydrophobicContact CB-CB 4.49Å; V617-A625 PolarHBondContact N-O 3.39Å; V617-A625 PolarHBondContact O-N 2.92Å; I619-A625 HydrophobicContact CD1-CB 3.81Å; I619-A625 HydrophobicContact CG1-CB 3.58Å; A625-Y627 HydrophobicContact CB-CD2 4.13Å; A625-Y627 HydrophobicContact CB-CE2 3.53Å
626	I	96.7	Very high	94.4	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121	175	-56.4	-58.2	0	0	0	108.7	L294 I295 L603 I606 I614 T615 N616	L294-I626 PolarHBondContact N-O 3.02Å; I295-I626 HydrophobicContact CB-CB 3.9Å; I295-I626 HydrophobicContact CB-CG1 3.86Å; I295-I626 HydrophobicContact CD1-CG1 4.44Å; I295-I626 HydrophobicContact CG1-CB 4.49Å; I295-I626 HydrophobicContact CG2-CG1 4.34Å; I295-I626 PolarHBondContact O-N 3.15Å; L603-I626 HydrophobicContact CD1-CD1 3.9Å; L603-I626 HydrophobicContact CD1-CG1 3.94Å; L603-I626 HydrophobicContact CD2-CD1 4.44Å; L603-I626 HydrophobicContact CG-CD1 4.06Å; I606-I626 HydrophobicContact CD1-CD1 4.18Å; I606-I626 HydrophobicContact CD1-CG1 4.1Å; I614-I626 HydrophobicContact CB-CG2 3.62Å; I614-I626 HydrophobicContact CD1-CD1 4.48Å; I614-I626 HydrophobicContact CD1-CG2 3.87Å; I614-I626 HydrophobicContact CG1-CG2 3.69Å; I614-I626 HydrophobicContact CG2-CG2 3.9Å; T615-I626 WeakPolarHBondContact O-CA 3.44Å; N616-I626 HydrophobicContact CB-CD1 3.95Å
627	Y	97.4	Very high	94.6	Very high	13 Å²	13	30 Å²	30	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.6	176.9	-70.5	-95.7	0	0	0	110.5	E292 L293 I614 T615 V617 A625 L810 H814	E292-Y627 VanDerWaalsContact O-CA 3.28Å; E292-Y627 WeakPolarHBondContact O-CA 3.37Å; L293-Y627 HydrophobicContact CB-CD1 4.15Å; L293-Y627 HydrophobicContact CB-CE1 3.73Å; L293-Y627 HydrophobicContact CD1-CD2 4.39Å; L293-Y627 HydrophobicContact CD1-CE1 4.18Å; L293-Y627 HydrophobicContact CD1-CE2 3.95Å; L293-Y627 HydrophobicContact CG-CE1 4.49Å; I614-Y627 CarbonylContact C-O 3.57Å; I614-Y627 WeakPolarHBondContact CA-O 3.44Å; I614-Y627 VanDerWaalsContact CB-O 3.29Å; I614-Y627 WeakPolarHBondContact CB-O 3.25Å; T615-Y627 PolarHBondContact N-O 3.07Å; T615-Y627 PolarHBondContact O-N 3.26Å; V617-Y627 HydrophobicContact CB-CD2 4.18Å; V617-Y627 HydrophobicContact CB-CE2 4.13Å; V617-Y627 HydrophobicContact CG2-CD2 3.74Å; V617-Y627 HydrophobicContact CG2-CE2 4.07Å; A625-Y627 HydrophobicContact CB-CD2 4.13Å; A625-Y627 HydrophobicContact CB-CE2 3.53Å; Y627-L810 HydrophobicContact CD1-CD1 4.05Å; Y627-L810 HydrophobicContact CD1-CD2 4.18Å; Y627-L810 HydrophobicContact CD2-CD1 4.12Å; Y627-L810 HydrophobicContact CE1-CD2 4.02Å; Y627-L810 HydrophobicContact CG-CD1 3.75Å; Y627-H814 PolarHBondContact OH-CD2 3.03Å; Y627-H814 PolarHBondContact OH-NE2 3.38Å
628	S	98.4	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.6	165.3	53.5	0	0	0	0	110.6	Q289 G291 E292	Q289-S628 PolarHBondContact O-OG 3.39Å; G291-S628 VanDerWaalsContact CA-O 3.32Å; G291-S628 WeakPolarHBondContact CA-O 3.05Å; G291-S628 PolarHBondContact N-O 3.43Å; G291-S628 PolarHBondContact N-OG 3.14Å; G291-S628 VanDerWaalsContact N-OG 3.1Å; E292-S628 PolarHBondContact N-OG 3.09Å; E292-S628 PolarHBondContact O-N 2.89Å; E292-S628 VanDerWaalsContact O-N 3.1Å
629	I	97.7	Very high	95.2	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.051	15%	0.15	C	C	.	.	S	Bend	trans	-112.8	-4.7	172.7	54.9	173.9	0	0	0	112.1	P612 N613 T615 Q803	P612-I629 HydrophobicContact CG-CD1 4.18Å; N613-I629 WeakPolarHBondContact O-CG1 3.42Å; N613-I629 PolarHBondContact O-N 3.02Å; T615-I629 HydrophobicContact CG2-CG2 3.52Å; I629-Q803 HydrophobicContact CB-CB 4.19Å; I629-Q803 HydrophobicContact CB-CG 4.08Å; I629-Q803 HydrophobicContact CD1-CB 4.21Å; I629-Q803 HydrophobicContact CD1-CG 4.38Å; I629-Q803 HydrophobicContact CG1-CG 4.39Å; I629-Q803 WeakPolarHBondContact O-CG 3.47Å
630	R	95.9	Very high	95.5	Very high	24 Å²	24	32 Å²	32	9%	0.091	15%	0.152	C	C	.	.	S	Bend	trans	-149.5	168.3	174.1	68.6	-175.6	-161.2	-163.4	-2.6	110	D611 N613 E636 Y789	D611-R630 IonicContact OD1-NH1 2.65Å; D611-R630 IonicContact OD2-NH1 2.78Å; D611-R630 PolarHBondContact OD2-NH1 2.98Å; N613-R630 HydrophobicContact CB-CG 3.79Å; R630-E636 IonicContact NH2-OE1 2.6Å; R630-E636 PolarHBondContact NH2-OE1 3.14Å; R630-Y789 HydrophobicContact CB-CD2 4.29Å; R630-Y789 HydrophobicContact CB-CE2 3.7Å; R630-Y789 HydrophobicContact CG-CE2 4.3Å
631	P	97.5	Very high	95.9	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.078	16%	0.159	C	C	.	.			trans	-61.1	138	171.5	-20.8	35.1	0	0	0	110.3	I288 P290 L783 T785 Y789	I288-P631 WeakPolarHBondContact O-CA 3.22Å; P290-P631 HydrophobicContact CG-CG 3.94Å; P631-L783 VanDerWaalsContact CD-O 3.31Å; P631-L783 WeakPolarHBondContact CD-O 3.18Å; P631-L783 WeakPolarHBondContact CG-O 3.36Å; P631-T785 HydrophobicContact CB-CG2 3.78Å; P631-T785 HydrophobicContact CG-CG2 3.77Å; P631-Y789 HydrophobicContact CB-CD1 4.23Å; P631-Y789 HydrophobicContact CB-CE1 4.07Å; P631-Y789 HydrophobicContact CG-CD1 3.55Å; P631-Y789 HydrophobicContact CG-CD2 4.43Å; P631-Y789 HydrophobicContact CG-CE1 3.83Å; P631-Y789 HydrophobicContact CG-CG 3.86Å
632	I	98	Very high	96.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-126.1	126.9	178.2	-55.6	168.8	0	0	0	107.4	A284 N287 I288 L294 N613 I614 E636 I638	A284-I632 HydrophobicContact CB-CG2 3.87Å; N287-I632 WeakPolarHBondContact CA-O 3.4Å; I288-I632 HydrophobicContact CB-CB 4.11Å; I288-I632 HydrophobicContact CD1-CB 4.47Å; I288-I632 HydrophobicContact CG2-CD1 4.39Å; I288-I632 PolarHBondContact N-O 3.2Å; I288-I632 PolarHBondContact O-N 3.43Å; I288-I632 VanDerWaalsContact O-N 3.07Å; L294-I632 HydrophobicContact CD1-CD1 4.42Å; N613-I632 HydrophobicContact CB-CD1 3.95Å; N613-I632 HydrophobicContact CB-CG1 3.92Å; I614-I632 HydrophobicContact CG2-CD1 4.13Å; I632-E636 WeakPolarHBondContact CA-OE2 3.37Å; I632-E636 HydrophobicContact CG2-CB 3.75Å; I632-E636 HydrophobicContact CG2-CG 4.17Å; I632-I638 HydrophobicContact CD1-CD1 3.79Å; I632-I638 HydrophobicContact CG2-CD1 4.12Å
633	E	97.3	Very high	96.3	Very high	144 Å²	144	34.4 Å²	34.4	67%	0.673	18%	0.178	S	C	*	.			trans	-77.5	152.2	179.9	-66	-175.8	176.5	0	0	111	A284 N635 E636	A284-E633 WeakPolarHBondContact CB-O 3.37Å; E633-N635 PolarHBondContact O-N 3.08Å; E633-E636 HydrophobicContact CB-CB 4.48Å; E633-E636 PolarHBondContact N-OE2 3.23Å; E633-E636 WeakPolarHBondContact O-CB 3.37Å; E633-E636 PolarHBondContact O-N 3.01Å
634	Q	97.8	Very high	96.4	Very high	106 Å²	106	33.8 Å²	33.8	50%	0.495	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135.4	172.4	-177.5	177.5	12.5	0	0	110.7	T285 N287 E636	T285-Q634 WeakPolarHBondContact O-CG 3.34Å; T285-Q634 PolarHBondContact O-NE2 3.18Å; N287-Q634 PolarHBondContact OD1-N 3.33Å; Q634-E636 PolarHBondContact O-N 3.41Å
635	N	96.4	Very high	96.5	Very high	100 Å²	100	35.3 Å²	35.3	54%	0.535	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	-1.5	-174	-49.6	-55.9	0	0	0	115.8	A284 E633	A284-N635 WeakPolarHBondContact O-CA 3.28Å; A284-N635 PolarHBondContact O-N 2.81Å; E633-N635 PolarHBondContact O-N 3.08Å
636	E	97	Very high	96.5	Very high	53 Å²	53	35.4 Å²	35.4	25%	0.248	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-66.8	144.1	170.4	-168.2	-171.9	155.9	0	0	110.1	V283 A284 N613 R630 I632 E633 Q634	V283-E636 CarbonylContact C-O 3.55Å; V283-E636 WeakPolarHBondContact CA-O 3.35Å; A284-E636 PolarHBondContact N-O 3.14Å; N613-E636 PolarHBondContact ND2-OE1 2.98Å; R630-E636 IonicContact NH2-OE1 2.6Å; R630-E636 PolarHBondContact NH2-OE1 3.14Å; I632-E636 WeakPolarHBondContact CA-OE2 3.37Å; I632-E636 HydrophobicContact CG2-CB 3.75Å; I632-E636 HydrophobicContact CG2-CG 4.17Å; E633-E636 HydrophobicContact CB-CB 4.48Å; E633-E636 PolarHBondContact N-OE2 3.23Å; E633-E636 WeakPolarHBondContact O-CB 3.37Å; E633-E636 PolarHBondContact O-N 3.01Å; Q634-E636 PolarHBondContact O-N 3.41Å
637	I	97.2	Very high	96.2	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.092	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-71.2	137.1	177.3	-61.5	175.8	0	0	0	109.8	F278 H281 I282 V283 N613 Y639	F278-I637 HydrophobicContact CD1-CD1 3.98Å; F278-I637 HydrophobicContact CD2-CD1 3.67Å; F278-I637 HydrophobicContact CE1-CD1 3.98Å; F278-I637 HydrophobicContact CE2-CD1 3.67Å; F278-I637 HydrophobicContact CG-CD1 3.83Å; F278-I637 HydrophobicContact CZ-CD1 3.84Å; H281-I637 HydrophobicContact CB-CG2 4.46Å; I282-I637 WeakPolarHBondContact O-CA 3.26Å; V283-I637 HydrophobicContact CG1-CG1 4.08Å; N613-I637 PolarHBondContact ND2-O 3.29Å; I637-Y639 HydrophobicContact CB-CD2 4.21Å; I637-Y639 HydrophobicContact CB-CE1 4.31Å; I637-Y639 HydrophobicContact CB-CE2 3.6Å; I637-Y639 WeakPolarHBondContact CD1-OH 2.93Å; I637-Y639 HydrophobicContact CG2-CD1 4.03Å; I637-Y639 HydrophobicContact CG2-CD2 4.16Å; I637-Y639 HydrophobicContact CG2-CE1 3.63Å; I637-Y639 HydrophobicContact CG2-CE2 3.8Å; I637-Y639 HydrophobicContact CG2-CG 4.28Å; I637-Y639 WeakPolarHBondContact O-CD2 3.5Å; I637-Y639 PolarHBondContact O-N 3.45Å
638	I	98	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-79.4	116.4	170.7	-57	-56.7	0	0	0	108.6	V270 I282 A284 I288 L294 I614 I632	V270-I638 HydrophobicContact CG1-CD1 3.99Å; V270-I638 HydrophobicContact CG1-CG1 3.86Å; I282-I638 HydrophobicContact CB-CB 4.16Å; I282-I638 HydrophobicContact CB-CG1 4.36Å; I282-I638 HydrophobicContact CG2-CB 4.08Å; I282-I638 HydrophobicContact CG2-CG1 3.78Å; I282-I638 PolarHBondContact O-N 3.32Å; A284-I638 HydrophobicContact CB-CD1 4.38Å; I288-I638 HydrophobicContact CD1-CD1 4.37Å; L294-I638 HydrophobicContact CD1-CD1 4.25Å; I614-I638 HydrophobicContact CB-CG2 4.41Å; I614-I638 HydrophobicContact CG1-CG2 3.81Å; I614-I638 HydrophobicContact CG2-CG2 3.66Å; I632-I638 HydrophobicContact CD1-CD1 3.79Å; I632-I638 HydrophobicContact CG2-CD1 4.12Å
639	Y	97.9	Very high	95.7	Very high	46 Å²	46	43.9 Å²	43.9	18%	0.18	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.7	-178.5	-70.1	-69.1	0	0	0	111.5	F278 N607 P612 N613 I614 I637	F278-Y639 WeakPolarHBondContact CE1-OH 3.33Å; N607-Y639 HydrophobicContact CB-CD1 4.25Å; N607-Y639 HydrophobicContact CB-CE1 4.27Å; N607-Y639 WeakPolarHBondContact O-CA 2.98Å; P612-Y639 WeakPolarHBondContact CA-O 3.25Å; P612-Y639 VanDerWaalsContact CB-O 3.3Å; P612-Y639 WeakPolarHBondContact CB-O 3.48Å; N613-Y639 PolarHBondContact N-O 3.32Å; N613-Y639 PolarHBondContact OD1-N 2.87Å; N613-Y639 PolarHBondContact OD1-O 3.45Å; I614-Y639 PolarHBondContact N-O 3.17Å; I637-Y639 HydrophobicContact CB-CD2 4.21Å; I637-Y639 HydrophobicContact CB-CE1 4.31Å; I637-Y639 HydrophobicContact CB-CE2 3.6Å; I637-Y639 WeakPolarHBondContact CD1-OH 2.93Å; I637-Y639 HydrophobicContact CG2-CD1 4.03Å; I637-Y639 HydrophobicContact CG2-CD2 4.16Å; I637-Y639 HydrophobicContact CG2-CE1 3.63Å; I637-Y639 HydrophobicContact CG2-CE2 3.8Å; I637-Y639 HydrophobicContact CG2-CG 4.28Å; I637-Y639 WeakPolarHBondContact O-CD2 3.5Å; I637-Y639 PolarHBondContact O-N 3.45Å
640	G	97.1	Very high	95.6	Very high	4 Å²	4	45.2 Å²	45.2	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	178.9	167.9	0	0	0	0	0	111.7	N607 H608 S609	N607-G640 PolarHBondContact O-N 3.46Å; H608-G640 CarbonylContact C-O 3.53Å; H608-G640 WeakPolarHBondContact CA-O 3.25Å; S609-G640 PolarHBondContact N-O 3.48Å
641	N	95.3	Very high	95.5	Very high	51 Å²	51	46 Å²	46	27%	0.273	25%	0.246	S	C	.	.			trans	-122	137	174.4	-176.1	-99.8	0	0	0	110.1	H608 S609 P612 G643 L644	H608-N641 PolarHBondContact CE1-ND2 2.86Å; S609-N641 PolarHBondContact O-ND2 3.11Å; P612-N641 HydrophobicContact CB-CB 4Å; P612-N641 HydrophobicContact CG-CB 3.83Å; N641-G643 VanDerWaalsContact C-N 3.26Å; N641-G643 PolarHBondContact O-N 3.46Å; N641-G643 VanDerWaalsContact OD1-C 3.32Å; N641-G643 WeakPolarHBondContact OD1-CA 3.48Å; N641-G643 PolarHBondContact OD1-N 2.87Å; N641-L644 PolarHBondContact ND2-O 2.74Å; N641-L644 PolarHBondContact OD1-N 2.74Å
642	Y	94.6	Very high	95.5	Very high	53 Å²	53	50.8 Å²	50.8	21%	0.208	27%	0.271	C	S	.	.			trans	-97.3	39.6	-178	-62.7	-3	0	0	0	110.2	I606 H608 L644 L658 Y662 F664	I606-Y642 WeakPolarHBondContact O-CE1 3.23Å; I606-Y642 PolarHBondContact O-OH 3.25Å; H608-Y642 HydrophobicContact CB-CD1 4.07Å; H608-Y642 HydrophobicContact CB-CD2 3.73Å; H608-Y642 HydrophobicContact CB-CE1 4.01Å; H608-Y642 HydrophobicContact CB-CE2 3.69Å; H608-Y642 HydrophobicContact CB-CG 3.92Å; H608-Y642 PolarHBondContact CE1-N 2.94Å; H608-Y642 AromaticContact CG-CG 3.97Å; H608-Y642 WeakPolarHBondContact ND1-CB 3.28Å; H608-Y642 AromaticContact ND1-CD1 3.81Å; H608-Y642 AromaticContact ND1-CD2 3.89Å; H608-Y642 AromaticContact ND1-CG 3.39Å; H608-Y642 PolarHBondContact ND1-N 3.01Å; Y642-L644 PolarHBondContact O-N 2.86Å; Y642-L658 HydrophobicContact CD2-CD2 4.15Å; Y642-Y662 AromaticContact CD2-CD1 3.8Å; Y642-Y662 HydrophobicContact CD2-CD1 3.8Å; Y642-Y662 AromaticContact CD2-CD2 3.93Å; Y642-Y662 HydrophobicContact CD2-CD2 3.93Å; Y642-Y662 AromaticContact CD2-CE1 3.61Å; Y642-Y662 HydrophobicContact CD2-CE1 3.61Å; Y642-Y662 AromaticContact CD2-CE2 3.75Å; Y642-Y662 HydrophobicContact CD2-CE2 3.75Å; Y642-Y662 AromaticContact CD2-CG 3.95Å; Y642-Y662 HydrophobicContact CD2-CG 3.95Å; Y642-Y662 AromaticContact CD2-CZ 3.58Å; Y642-Y662 AromaticContact CE2-CD1 3.87Å; Y642-Y662 HydrophobicContact CE2-CD1 3.87Å; Y642-Y662 AromaticContact CE2-CE1 3.93Å; Y642-Y662 HydrophobicContact CE2-CE1 3.93Å; Y642-Y662 HydrophobicContact CE2-CG 4.26Å; Y642-Y662 HydrophobicContact CG-CE1 4.32Å; Y642-Y662 HydrophobicContact CG-CE2 4.26Å; Y642-Y662 AromaticContact CG-CZ 3.98Å; Y642-F664 HydrophobicContact CD2-CE1 4.44Å; Y642-F664 HydrophobicContact CE2-CE1 4.23Å
643	G	92.1	Very high	95.3	Very high	55 Å²	55	55.5 Å²	55.5	57%	0.567	29%	0.293	S	S	*	.	S	Bend	trans	80.8	5.7	-178.7	0	0	0	0	0	115.8	N641 H649	N641-G643 VanDerWaalsContact C-N 3.26Å; N641-G643 PolarHBondContact O-N 3.46Å; N641-G643 VanDerWaalsContact OD1-C 3.32Å; N641-G643 WeakPolarHBondContact OD1-CA 3.48Å; N641-G643 PolarHBondContact OD1-N 2.87Å; G643-H649 PolarHBondContact O-CE1 3.31Å
644	L	94.1	Very high	95.3	Very high	16 Å²	16	48.6 Å²	48.6	8%	0.084	26%	0.261	C	S	.	.			trans	-123	62.7	-168.9	-67.4	165.8	0	0	0	111.9	N641 Y642 R654 L658	N641-L644 PolarHBondContact ND2-O 2.74Å; N641-L644 PolarHBondContact OD1-N 2.74Å; Y642-L644 PolarHBondContact O-N 2.86Å; L644-R654 HydrophobicContact CB-CB 4.5Å; L644-R654 HydrophobicContact CB-CG 4.16Å; L644-R654 WeakPolarHBondContact O-CD 3.37Å; L644-L658 HydrophobicContact CD1-CD1 4.48Å; L644-L658 HydrophobicContact CD1-CD2 3.72Å; L644-L658 HydrophobicContact CD1-CG 3.61Å
645	H	94.8	Very high	95.3	Very high	32 Å²	32	44.7 Å²	44.7	15%	0.148	24%	0.242	C	C	.	.			trans	-75.2	140.2	-179.8	-167.5	-87	0	0	0	112.3	C610 P612 A647 I648 H649	C610-H645 WeakPolarHBondContact O-CA 3.47Å; C610-H645 PolarHBondContact O-CD2 3.17Å; P612-H645 VanDerWaalsContact CD-CD2 3.47Å; P612-H645 WeakPolarHBondContact CD-CD2 3.22Å; H645-A647 VanDerWaalsContact C-N 3.28Å; H645-A647 VanDerWaalsContact ND1-CB 3.34Å; H645-A647 WeakPolarHBondContact ND1-CB 3.44Å; H645-A647 PolarHBondContact ND1-N 3.41Å; H645-A647 VanDerWaalsContact ND1-N 3.12Å; H645-A647 PolarHBondContact O-N 3.07Å; H645-I648 HydrophobicContact CB-CD1 4.44Å; H645-I648 HydrophobicContact CB-CG1 4.04Å; H645-I648 PolarHBondContact O-N 3.41Å; H645-H649 PolarHBondContact N-ND1 3.38Å; H645-H649 PolarHBondContact O-N 3.04Å; H645-H649 VanDerWaalsContact O-N 3.08Å; H645-H649 PolarHBondContact O-ND1 3Å
646	Y	94.9	Very high	95.2	Very high	3 Å²	3	43 Å²	43	1%	0.012	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.1	-175.7	80.4	-94.9	0	0	0	113.9	C610 D611 I648 A670 W675 P677 P795 C796 D800	C610-Y646 WeakPolarHBondContact O-CD1 3.45Å; C610-Y646 PolarHBondContact O-N 2.83Å; D611-Y646 HydrophobicContact CB-CD1 3.98Å; D611-Y646 HydrophobicContact CB-CE1 4.17Å; Y646-I648 PolarHBondContact O-N 3Å; Y646-A670 HydrophobicContact CD1-CB 4.26Å; Y646-A670 HydrophobicContact CG-CB 4.29Å; Y646-W675 AromaticContact CD1-CE3 3.83Å; Y646-W675 HydrophobicContact CD1-CE3 3.83Å; Y646-W675 HydrophobicContact CD1-CZ3 4.28Å; Y646-W675 HydrophobicContact CD2-CB 3.88Å; Y646-W675 AromaticContact CD2-CE3 3.97Å; Y646-W675 HydrophobicContact CD2-CE3 3.97Å; Y646-W675 AromaticContact CE1-CE3 3.73Å; Y646-W675 HydrophobicContact CE1-CE3 3.73Å; Y646-W675 AromaticContact CE1-CZ3 3.88Å; Y646-W675 HydrophobicContact CE1-CZ3 3.88Å; Y646-W675 AromaticContact CE2-CE3 3.93Å; Y646-W675 HydrophobicContact CE2-CE3 3.93Å; Y646-W675 HydrophobicContact CG-CB 4.23Å; Y646-W675 AromaticContact CG-CE3 3.94Å; Y646-W675 HydrophobicContact CG-CE3 3.94Å; Y646-W675 AromaticContact CZ-CE3 3.78Å; Y646-P677 WeakPolarHBondContact O-CD 3.38Å; Y646-P677 WeakPolarHBondContact O-CG 3.4Å; Y646-P795 HydrophobicContact CD2-CB 4.33Å; Y646-P795 HydrophobicContact CE2-CB 3.41Å; Y646-P795 VanDerWaalsContact CE2-CB 3.41Å; Y646-P795 WeakPolarHBondContact OH-CA 3.32Å; Y646-C796 PolarHBondContact OH-N 3.32Å; Y646-D800 VanDerWaalsContact CZ-OD2 3.31Å; Y646-D800 PolarHBondContact OH-OD1 3.04Å; Y646-D800 PolarHBondContact OH-OD2 3.08Å
647	A	91.9	Very high	95.1	Very high	24 Å²	24	42.8 Å²	42.8	20%	0.198	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.7	-176.1	0	0	0	0	0	113.5	H645 P677	H645-A647 VanDerWaalsContact C-N 3.28Å; H645-A647 VanDerWaalsContact ND1-CB 3.34Å; H645-A647 WeakPolarHBondContact ND1-CB 3.44Å; H645-A647 PolarHBondContact ND1-N 3.41Å; H645-A647 VanDerWaalsContact ND1-N 3.12Å; H645-A647 PolarHBondContact O-N 3.07Å; A647-P677 WeakPolarHBondContact O-CB 3.45Å
648	I	91.5	Very high	95.1	Very high	121 Å²	121	42 Å²	42	62%	0.621	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130	-7.5	-176.1	52.9	160.8	0	0	0	114	H645 Y646	H645-I648 HydrophobicContact CB-CD1 4.44Å; H645-I648 HydrophobicContact CB-CG1 4.04Å; H645-I648 PolarHBondContact O-N 3.41Å; Y646-I648 PolarHBondContact O-N 3Å
649	H	93.5	Very high	94.9	Very high	47 Å²	47	46.7 Å²	46.7	22%	0.218	26%	0.261	C	S	.	.	S	Bend	trans	-129.6	135.8	176.3	-58.1	97.2	0	0	0	110.6	G643 H645 E653 R654	G643-H649 PolarHBondContact O-CE1 3.31Å; H645-H649 PolarHBondContact N-ND1 3.38Å; H645-H649 PolarHBondContact O-N 3.04Å; H645-H649 VanDerWaalsContact O-N 3.08Å; H645-H649 PolarHBondContact O-ND1 3Å; H649-E653 HydrophobicContact CB-CB 4.39Å; H649-R654 HydrophobicContact CB-CG 3.59Å; H649-R654 PolarHBondContact O-NE 3.41Å
650	S	94.3	Very high	94.5	Very high	38 Å²	38	48.3 Å²	48.3	27%	0.266	28%	0.279	S	S	.	.			trans	-62	158.9	172.4	67	0	0	0	0	111.8	N652 E653 R654	S650-N652 PolarHBondContact O-N 3.42Å; S650-E653 WeakPolarHBondContact CB-OE2 3.45Å; S650-E653 PolarHBondContact N-OE2 2.98Å; S650-E653 PolarHBondContact O-N 3.4Å; S650-E653 VanDerWaalsContact OG-CD 3.22Å; S650-E653 VanDerWaalsContact OG-CG 3.26Å; S650-E653 WeakPolarHBondContact OG-CG 3.42Å; S650-E653 PolarHBondContact OG-N 2.91Å; S650-E653 PolarHBondContact OG-OE2 3.06Å; S650-R654 VanDerWaalsContact O-CG 3.27Å; S650-R654 WeakPolarHBondContact O-CG 3.24Å; S650-R654 PolarHBondContact O-N 2.8Å; S650-R654 VanDerWaalsContact O-N 3.07Å
651	L	95.3	Very high	94.2	Very high	40 Å²	40	52.7 Å²	52.7	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-54.8	-40.2	175.7	178.4	62.3	0	0	0	112.4	R654 Q655 C671 D674	L651-R654 PolarHBondContact O-N 2.78Å; L651-Q655 HydrophobicContact CD1-CG 3.82Å; L651-Q655 HydrophobicContact CG-CG 4.31Å; L651-Q655 WeakPolarHBondContact O-CB 3.18Å; L651-Q655 VanDerWaalsContact O-CG 3.31Å; L651-Q655 WeakPolarHBondContact O-CG 3.32Å; L651-Q655 PolarHBondContact O-N 2.98Å; L651-C671 HydrophobicContact CD1-CB 3.98Å; L651-D674 WeakPolarHBondContact CB-OD1 3.47Å; L651-D674 HydrophobicContact CD2-CB 4.23Å; L651-D674 WeakPolarHBondContact CD2-OD1 3.02Å
652	N	95.6	Very high	94.1	Very high	114 Å²	114	51.7 Å²	51.7	61%	0.61	29%	0.291	S	S	*	.	H	α-helix	trans	-64.7	-48.3	-179.8	-173.8	4.5	0	0	0	111.9	S650 R654 Q655 S656	S650-N652 PolarHBondContact O-N 3.42Å; N652-R654 VanDerWaalsContact C-N 3.31Å; N652-R654 PolarHBondContact O-N 3.03Å; N652-Q655 PolarHBondContact O-N 3.43Å; N652-S656 VanDerWaalsContact O-CB 3.23Å; N652-S656 WeakPolarHBondContact O-CB 3.26Å; N652-S656 PolarHBondContact O-N 2.94Å; N652-S656 PolarHBondContact O-OG 3.42Å; N652-S656 PolarHBondContact OD1-OG 3.13Å
653	E	95.5	Very high	94.1	Very high	100 Å²	100	50.6 Å²	50.6	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-44.9	177.6	-71.2	161.9	143.4	0	0	111.2	H649 S650 S657	H649-E653 HydrophobicContact CB-CB 4.39Å; S650-E653 WeakPolarHBondContact CB-OE2 3.45Å; S650-E653 PolarHBondContact N-OE2 2.98Å; S650-E653 PolarHBondContact O-N 3.4Å; S650-E653 VanDerWaalsContact OG-CD 3.22Å; S650-E653 VanDerWaalsContact OG-CG 3.26Å; S650-E653 WeakPolarHBondContact OG-CG 3.42Å; S650-E653 PolarHBondContact OG-N 2.91Å; S650-E653 PolarHBondContact OG-OE2 3.06Å; E653-S657 VanDerWaalsContact O-CB 3.22Å; E653-S657 WeakPolarHBondContact O-CB 3.17Å; E653-S657 PolarHBondContact O-N 3.12Å; E653-S657 PolarHBondContact O-OG 3.27Å
654	R	96.9	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-53.6	177.6	-65.1	-175.6	-66.7	148.3	-5.3	111.5	C610 L644 H649 S650 L651 N652 L658 A670 C671 W675	C610-R654 PolarHBondContact SG-NH1 3.24Å; C610-R654 VanDerWaalsContact SG-NH1 3.37Å; L644-R654 HydrophobicContact CB-CB 4.5Å; L644-R654 HydrophobicContact CB-CG 4.16Å; L644-R654 WeakPolarHBondContact O-CD 3.37Å; H649-R654 HydrophobicContact CB-CG 3.59Å; H649-R654 PolarHBondContact O-NE 3.41Å; S650-R654 VanDerWaalsContact O-CG 3.27Å; S650-R654 WeakPolarHBondContact O-CG 3.24Å; S650-R654 PolarHBondContact O-N 2.8Å; S650-R654 VanDerWaalsContact O-N 3.07Å; L651-R654 PolarHBondContact O-N 2.78Å; N652-R654 VanDerWaalsContact C-N 3.31Å; N652-R654 PolarHBondContact O-N 3.03Å; R654-L658 WeakPolarHBondContact O-CB 3.46Å; R654-L658 WeakPolarHBondContact O-CD1 3.31Å; R654-L658 WeakPolarHBondContact O-CG 3.45Å; R654-L658 PolarHBondContact O-N 3.09Å; R654-A670 PolarHBondContact NH2-O 3.4Å; R654-A670 VanDerWaalsContact NH2-O 3.1Å; R654-C671 PolarHBondContact NH1-SG 3.39Å; R654-W675 PolarHBondContact NH2-O 2.77Å
655	Q	97.4	Very high	94.2	Very high	24 Å²	24	59 Å²	59	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-43.6	-176.7	-68.4	-68	-16.9	0	0	112.6	L651 N652 L658 Q659 C666 C671	L651-Q655 HydrophobicContact CD1-CG 3.82Å; L651-Q655 HydrophobicContact CG-CG 4.31Å; L651-Q655 WeakPolarHBondContact O-CB 3.18Å; L651-Q655 VanDerWaalsContact O-CG 3.31Å; L651-Q655 WeakPolarHBondContact O-CG 3.32Å; L651-Q655 PolarHBondContact O-N 2.98Å; N652-Q655 PolarHBondContact O-N 3.43Å; Q655-L658 PolarHBondContact O-N 3.04Å; Q655-Q659 VanDerWaalsContact O-CB 3.24Å; Q655-Q659 WeakPolarHBondContact O-CB 3.27Å; Q655-Q659 PolarHBondContact O-N 3.32Å; Q655-C666 PolarHBondContact NE2-O 2.91Å; Q655-C671 PolarHBondContact NE2-SG 2.73Å
656	S	95.4	Very high	94.3	Very high	64 Å²	64	57.7 Å²	57.7	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-43.6	-179.4	-65.5	0	0	0	0	111.6	N652 Q659 S660	N652-S656 VanDerWaalsContact O-CB 3.23Å; N652-S656 WeakPolarHBondContact O-CB 3.26Å; N652-S656 PolarHBondContact O-N 2.94Å; N652-S656 PolarHBondContact O-OG 3.42Å; N652-S656 PolarHBondContact OD1-OG 3.13Å; S656-Q659 PolarHBondContact O-N 3.42Å; S656-S660 VanDerWaalsContact O-CB 3.31Å; S656-S660 WeakPolarHBondContact O-CB 3.37Å; S656-S660 PolarHBondContact O-N 3.22Å
657	S	94.4	Very high	94.3	Very high	49 Å²	49	62.5 Å²	62.5	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-67.9	-43.7	179.1	-54.5	0	0	0	0	111.8	E653 Q659 S660 Q661	E653-S657 VanDerWaalsContact O-CB 3.22Å; E653-S657 WeakPolarHBondContact O-CB 3.17Å; E653-S657 PolarHBondContact O-N 3.12Å; E653-S657 PolarHBondContact O-OG 3.27Å; S657-Q659 PolarHBondContact O-N 2.92Å; S657-S660 PolarHBondContact O-N 2.85Å; S657-Q661 PolarHBondContact O-N 3.34Å
658	L	96.1	Very high	94.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-41.4	176.1	-70.3	171.9	0	0	0	112.4	Y642 L644 R654 Q655 Y662 H663 F664 C666	Y642-L658 HydrophobicContact CD2-CD2 4.15Å; L644-L658 HydrophobicContact CD1-CD1 4.48Å; L644-L658 HydrophobicContact CD1-CD2 3.72Å; L644-L658 HydrophobicContact CD1-CG 3.61Å; R654-L658 WeakPolarHBondContact O-CB 3.46Å; R654-L658 WeakPolarHBondContact O-CD1 3.31Å; R654-L658 WeakPolarHBondContact O-CG 3.45Å; R654-L658 PolarHBondContact O-N 3.09Å; Q655-L658 PolarHBondContact O-N 3.04Å; L658-Y662 HydrophobicContact CD2-CD2 3.85Å; L658-Y662 HydrophobicContact CD2-CE2 4.26Å; L658-Y662 CarbonylContact O-C 3.57Å; L658-Y662 WeakPolarHBondContact O-CA 3.46Å; L658-Y662 WeakPolarHBondContact O-CB 3.3Å; L658-Y662 PolarHBondContact O-N 2.91Å; L658-H663 PolarHBondContact O-N 2.95Å; L658-H663 VanDerWaalsContact O-N 3.15Å; L658-F664 CarbonylContact C-O 3.52Å; L658-F664 HydrophobicContact CB-CE1 4.42Å; L658-F664 HydrophobicContact CB-CZ 4.28Å; L658-F664 HydrophobicContact CD1-CE2 4.31Å; L658-F664 HydrophobicContact CD1-CZ 4.09Å; L658-F664 HydrophobicContact CD2-CE1 4.04Å; L658-F664 HydrophobicContact CD2-CZ 3.77Å; L658-F664 HydrophobicContact CG-CZ 4.26Å; L658-C666 HydrophobicContact CD1-CB 3.56Å
659	Q	94.3	Very high	94.6	Very high	100 Å²	100	60.8 Å²	60.8	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-39.8	178.1	-177.5	58.7	49.7	0	0	111.9	Q655 S656 S657 H663 F664	Q655-Q659 VanDerWaalsContact O-CB 3.24Å; Q655-Q659 WeakPolarHBondContact O-CB 3.27Å; Q655-Q659 PolarHBondContact O-N 3.32Å; S656-Q659 PolarHBondContact O-N 3.42Å; S657-Q659 PolarHBondContact O-N 2.92Å; Q659-H663 WeakPolarHBondContact O-CA 3.25Å; Q659-H663 PolarHBondContact O-N 2.82Å; Q659-F664 PolarHBondContact N-O 3.36Å
660	S	90.5	Very high	94.7	Very high	80 Å²	80	58.5 Å²	58.5	56%	0.559	30%	0.301	S	S	*	.	H	α-helix	trans	-67.2	-50.8	-179.9	-176.8	0	0	0	0	112.1	S656 S657	S656-S660 VanDerWaalsContact O-CB 3.31Å; S656-S660 WeakPolarHBondContact O-CB 3.37Å; S656-S660 PolarHBondContact O-N 3.22Å; S657-S660 PolarHBondContact O-N 2.85Å
661	Q	90.1	Very high	94.7	Very high	95 Å²	95	57.3 Å²	57.3	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-88.4	-39.8	-173	-177.3	176.6	-7.6	0	0	113.9	S550 S657	S550-Q661 WeakPolarHBondContact O-CG 3.24Å; S657-Q661 PolarHBondContact O-N 3.34Å
662	Y	93.2	Very high	94.7	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-110.7	-4.9	-170.7	-58.3	-84.3	0	0	0	113.4	N489 S551 Y642 L658 F664	N489-Y662 PolarHBondContact ND2-O 3.24Å; S551-Y662 WeakPolarHBondContact O-CD1 3.2Å; S551-Y662 VanDerWaalsContact O-CE1 3.31Å; S551-Y662 WeakPolarHBondContact O-CE1 3.47Å; Y642-Y662 AromaticContact CD2-CD1 3.8Å; Y642-Y662 HydrophobicContact CD2-CD1 3.8Å; Y642-Y662 AromaticContact CD2-CD2 3.93Å; Y642-Y662 HydrophobicContact CD2-CD2 3.93Å; Y642-Y662 AromaticContact CD2-CE1 3.61Å; Y642-Y662 HydrophobicContact CD2-CE1 3.61Å; Y642-Y662 AromaticContact CD2-CE2 3.75Å; Y642-Y662 HydrophobicContact CD2-CE2 3.75Å; Y642-Y662 AromaticContact CD2-CG 3.95Å; Y642-Y662 HydrophobicContact CD2-CG 3.95Å; Y642-Y662 AromaticContact CD2-CZ 3.58Å; Y642-Y662 AromaticContact CE2-CD1 3.87Å; Y642-Y662 HydrophobicContact CE2-CD1 3.87Å; Y642-Y662 AromaticContact CE2-CE1 3.93Å; Y642-Y662 HydrophobicContact CE2-CE1 3.93Å; Y642-Y662 HydrophobicContact CE2-CG 4.26Å; Y642-Y662 HydrophobicContact CG-CE1 4.32Å; Y642-Y662 HydrophobicContact CG-CE2 4.26Å; Y642-Y662 AromaticContact CG-CZ 3.98Å; L658-Y662 HydrophobicContact CD2-CD2 3.85Å; L658-Y662 HydrophobicContact CD2-CE2 4.26Å; L658-Y662 CarbonylContact O-C 3.57Å; L658-Y662 WeakPolarHBondContact O-CA 3.46Å; L658-Y662 WeakPolarHBondContact O-CB 3.3Å; L658-Y662 PolarHBondContact O-N 2.91Å; Y662-F664 VanDerWaalsContact C-N 3.33Å; Y662-F664 VanDerWaalsContact CB-CE1 3.45Å; Y662-F664 HydrophobicContact CG-CE1 4.15Å; Y662-F664 PolarHBondContact O-N 3.21Å
663	H	93.8	Very high	94.5	Very high	30 Å²	30	59.1 Å²	59.1	14%	0.139	30%	0.299	C	S	.	.			trans	58.5	38.8	174.9	-48.3	-80.2	0	0	0	114.3	N489 K492 L658 Q659	N489-H663 HydrophobicContact CB-CB 4.39Å; N489-H663 WeakPolarHBondContact CB-CD2 3.33Å; K492-H663 HydrophobicContact CB-CB 4.13Å; K492-H663 HydrophobicContact CD-CB 3.57Å; K492-H663 PolarHBondContact NZ-O 3.39Å; L658-H663 PolarHBondContact O-N 2.95Å; L658-H663 VanDerWaalsContact O-N 3.15Å; Q659-H663 WeakPolarHBondContact O-CA 3.25Å; Q659-H663 PolarHBondContact O-N 2.82Å
664	F	93.6	Very high	94.3	Very high	64 Å²	64	58.9 Å²	58.9	28%	0.281	30%	0.3	S	S	.	.			trans	-144	158.8	172.2	79.6	-86.5	0	0	0	112.2	H608 Y642 L658 Q659 Y662 C666	H608-F664 HydrophobicContact CB-CZ 3.81Å; Y642-F664 HydrophobicContact CD2-CE1 4.44Å; Y642-F664 HydrophobicContact CE2-CE1 4.23Å; L658-F664 CarbonylContact C-O 3.52Å; L658-F664 HydrophobicContact CB-CE1 4.42Å; L658-F664 HydrophobicContact CB-CZ 4.28Å; L658-F664 HydrophobicContact CD1-CE2 4.31Å; L658-F664 HydrophobicContact CD1-CZ 4.09Å; L658-F664 HydrophobicContact CD2-CE1 4.04Å; L658-F664 HydrophobicContact CD2-CZ 3.77Å; L658-F664 HydrophobicContact CG-CZ 4.26Å; Q659-F664 PolarHBondContact N-O 3.36Å; Y662-F664 VanDerWaalsContact C-N 3.33Å; Y662-F664 VanDerWaalsContact CB-CE1 3.45Å; Y662-F664 HydrophobicContact CG-CE1 4.15Å; Y662-F664 PolarHBondContact O-N 3.21Å; F664-C666 HydrophobicContact CE2-CB 3.94Å
665	R	95.4	Very high	94	Very high	183 Å²	183	59.3 Å²	59.3	69%	0.691	30%	0.302	S	S	*	.			trans	-97.4	125.4	170.7	-175.9	-172.8	171.5	103.3	-1.1	109.2
666	C	96.2	Very high	93.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.034	32%	0.316	C	S	.	.			trans	-74.4	133.2	-179.8	-173.8	0	0	0	0	111.6	Q655 L658 F664 C668	Q655-C666 PolarHBondContact NE2-O 2.91Å; L658-C666 HydrophobicContact CD1-CB 3.56Å; F664-C666 HydrophobicContact CE2-CB 3.94Å; C666-C668 PolarHBondContact SG-N 3.17Å
667	I	95	Very high	92.3	Very high	104 Å²	104	59.8 Å²	59.8	53%	0.533	31%	0.307	S	S	.	.			trans	-117.9	22.9	178.4	61.1	168.4	0	0	0	112.2	I672	I667-I672 WeakPolarHBondContact O-CD1 3.39Å
668	C	95.7	Very high	90.8	Very high	18 Å²	18	61.3 Å²	61.3	12%	0.122	31%	0.311	C	S	.	.	S	Bend	trans	-65.3	160.8	174.4	75	0	0	0	0	110.8	S609 C610 C666 A670 C671 I672	S609-C668 WeakPolarHBondContact OG-CB 3.35Å; C610-C668 PolarHBondContact N-SG 3.49Å; C666-C668 PolarHBondContact SG-N 3.17Å; C668-A670 VanDerWaalsContact C-N 3.26Å; C668-A670 PolarHBondContact O-N 3.42Å; C668-A670 VanDerWaalsContact O-N 3.16Å; C668-C671 WeakPolarHBondContact O-CA 3.26Å; C668-C671 WeakPolarHBondContact O-CB 3.49Å; C668-C671 PolarHBondContact O-N 2.85Å; C668-I672 PolarHBondContact O-N 3.32Å
669	L	93.9	Very high	88.6	Confident	90 Å²	90	68.5 Å²	68.5	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-51.4	-44.2	-179.1	-174.3	64.7	0	0	0	112.8	C671 I672 E673 W675	L669-C671 PolarHBondContact O-N 2.91Å; L669-I672 PolarHBondContact O-N 2.96Å; L669-E673 HydrophobicContact CD1-CG 3.96Å; L669-E673 HydrophobicContact CG-CG 4.44Å; L669-E673 WeakPolarHBondContact O-CB 3.27Å; L669-E673 PolarHBondContact O-N 3.18Å; L669-W675 HydrophobicContact CD2-CH2 4.2Å; L669-W675 HydrophobicContact CD2-CZ2 3.97Å; L669-W675 HydrophobicContact CG-CZ2 4.05Å
670	A	95.1	Very high	86.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-19.8	177.9	0	0	0	0	0	114.9	C610 D611 Y646 R654 C668 W675	C610-A670 HydrophobicContact CB-CB 4.42Å; D611-A670 HydrophobicContact CB-CB 3.98Å; Y646-A670 HydrophobicContact CD1-CB 4.26Å; Y646-A670 HydrophobicContact CG-CB 4.29Å; R654-A670 PolarHBondContact NH2-O 3.4Å; R654-A670 VanDerWaalsContact NH2-O 3.1Å; C668-A670 VanDerWaalsContact C-N 3.26Å; C668-A670 PolarHBondContact O-N 3.42Å; C668-A670 VanDerWaalsContact O-N 3.16Å; A670-W675 HydrophobicContact CB-CB 4.12Å; A670-W675 HydrophobicContact CB-CD2 3.67Å; A670-W675 HydrophobicContact CB-CE3 3.34Å; A670-W675 HydrophobicContact CB-CG 4.04Å; A670-W675 HydrophobicContact CB-CZ3 3.92Å; A670-W675 WeakPolarHBondContact O-CB 3.4Å; A670-W675 PolarHBondContact O-N 2.77Å
671	C	96.3	Very high	83.1	Confident	12 Å²	12	70.4 Å²	70.4	8%	0.081	36%	0.363	C	S	.	.	H	α-helix	trans	-91.6	-39.7	173.7	-73.4	0	0	0	0	111.5	C610 L651 R654 Q655 C668 L669 E673 D674	C610-C671 PolarHBondContact SG-SG 3.29Å; L651-C671 HydrophobicContact CD1-CB 3.98Å; R654-C671 PolarHBondContact NH1-SG 3.39Å; Q655-C671 PolarHBondContact NE2-SG 2.73Å; C668-C671 WeakPolarHBondContact O-CA 3.26Å; C668-C671 WeakPolarHBondContact O-CB 3.49Å; C668-C671 PolarHBondContact O-N 2.85Å; L669-C671 PolarHBondContact O-N 2.91Å; C671-E673 VanDerWaalsContact C-N 3.3Å; C671-E673 PolarHBondContact O-N 3.17Å; C671-D674 PolarHBondContact O-N 3.33Å
672	I	95	Very high	80.1	Confident	124 Å²	124	72.3 Å²	72.3	64%	0.636	38%	0.381	S	S	*	.	H	α-helix	trans	-61.5	-41.8	176.8	-67.8	173.1	0	0	0	110.7	I667 C668 L669	I667-I672 WeakPolarHBondContact O-CD1 3.39Å; C668-I672 PolarHBondContact O-N 3.32Å; L669-I672 PolarHBondContact O-N 2.96Å
673	E	90.6	Very high	77	Confident	69 Å²	69	76.4 Å²	76.4	32%	0.322	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.3	-178.6	-66.1	-163.9	170.6	0	0	114.1	L669 C671 W675 R721	L669-E673 HydrophobicContact CD1-CG 3.96Å; L669-E673 HydrophobicContact CG-CG 4.44Å; L669-E673 WeakPolarHBondContact O-CB 3.27Å; L669-E673 PolarHBondContact O-N 3.18Å; C671-E673 VanDerWaalsContact C-N 3.3Å; C671-E673 PolarHBondContact O-N 3.17Å; E673-W675 VanDerWaalsContact C-N 3.34Å; E673-W675 VanDerWaalsContact CB-NE1 3.27Å; E673-W675 PolarHBondContact O-N 3.12Å; E673-W675 PolarHBondContact OE2-NE1 3.08Å; E673-R721 IonicContact OE1-NE 3.61Å; E673-R721 IonicContact OE2-CZ 2.66Å; E673-R721 IonicContact OE2-NE 3.51Å; E673-R721 PolarHBondContact OE2-NE 3.24Å; E673-R721 IonicContact OE2-NH2 2.83Å; E673-R721 PolarHBondContact OE2-NH2 3.13Å
674	D	91	Very high	73.9	Confident	94 Å²	94	82 Å²	82	50%	0.503	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	47.6	180	-166.4	15.6	0	0	0	114	L651 C671 S676	L651-D674 WeakPolarHBondContact CB-OD1 3.47Å; L651-D674 HydrophobicContact CD2-CB 4.23Å; L651-D674 WeakPolarHBondContact CD2-OD1 3.02Å; C671-D674 PolarHBondContact O-N 3.33Å; D674-S676 PolarHBondContact O-N 3.13Å
675	W	90.2	Very high	70.9	Confident	10 Å²	10	85.7 Å²	85.7	4%	0.038	46%	0.464	C	S	.	.			trans	-66.4	128.9	175.2	-63.5	3.2	0	0	0	109.1	D611 Y646 R654 L669 A670 E673 R794 P795	D611-W675 HydrophobicContact CB-CZ3 4.15Å; Y646-W675 AromaticContact CD1-CE3 3.83Å; Y646-W675 HydrophobicContact CD1-CE3 3.83Å; Y646-W675 HydrophobicContact CD1-CZ3 4.28Å; Y646-W675 HydrophobicContact CD2-CB 3.88Å; Y646-W675 AromaticContact CD2-CE3 3.97Å; Y646-W675 HydrophobicContact CD2-CE3 3.97Å; Y646-W675 AromaticContact CE1-CE3 3.73Å; Y646-W675 HydrophobicContact CE1-CE3 3.73Å; Y646-W675 AromaticContact CE1-CZ3 3.88Å; Y646-W675 HydrophobicContact CE1-CZ3 3.88Å; Y646-W675 AromaticContact CE2-CE3 3.93Å; Y646-W675 HydrophobicContact CE2-CE3 3.93Å; Y646-W675 HydrophobicContact CG-CB 4.23Å; Y646-W675 AromaticContact CG-CE3 3.94Å; Y646-W675 HydrophobicContact CG-CE3 3.94Å; Y646-W675 AromaticContact CZ-CE3 3.78Å; R654-W675 PolarHBondContact NH2-O 2.77Å; L669-W675 HydrophobicContact CD2-CH2 4.2Å; L669-W675 HydrophobicContact CD2-CZ2 3.97Å; L669-W675 HydrophobicContact CG-CZ2 4.05Å; A670-W675 HydrophobicContact CB-CB 4.12Å; A670-W675 HydrophobicContact CB-CD2 3.67Å; A670-W675 HydrophobicContact CB-CE3 3.34Å; A670-W675 HydrophobicContact CB-CG 4.04Å; A670-W675 HydrophobicContact CB-CZ3 3.92Å; A670-W675 WeakPolarHBondContact O-CB 3.4Å; A670-W675 PolarHBondContact O-N 2.77Å; E673-W675 VanDerWaalsContact C-N 3.34Å; E673-W675 VanDerWaalsContact CB-NE1 3.27Å; E673-W675 PolarHBondContact O-N 3.12Å; E673-W675 PolarHBondContact OE2-NE1 3.08Å; W675-R794 HydrophobicContact CH2-CB 3.61Å; W675-R794 HydrophobicContact CZ2-CB 4.4Å; W675-R794 HydrophobicContact CZ3-CB 4Å; W675-P795 HydrophobicContact CD2-CB 3.88Å; W675-P795 HydrophobicContact CD2-CG 3.97Å; W675-P795 HydrophobicContact CE3-CB 3.77Å; W675-P795 HydrophobicContact CE3-CG 4.38Å; W675-P795 HydrophobicContact CG-CB 4.28Å; W675-P795 HydrophobicContact CG-CG 4.07Å; W675-P795 HydrophobicContact CZ3-CB 4.28Å
676	S	80.2	Confident	67.8	Low	57 Å²	57	84.8 Å²	84.8	40%	0.399	47%	0.472	S	S	.	.			trans	-121.1	157	178.7	-73.6	0	0	0	0	110.5	D674 L678	D674-S676 PolarHBondContact O-N 3.13Å; S676-L678 PolarHBondContact O-N 2.98Å; S676-L678 VanDerWaalsContact O-N 3.14Å
677	P	77	Confident	64.5	Low	41 Å²	41	91.2 Å²	91.2	27%	0.266	51%	0.506	S	S	.	.			trans	-51.5	123.2	169	-24.9	34.4	0	0	0	108.8	Y646 A647 I679	Y646-P677 WeakPolarHBondContact O-CD 3.38Å; Y646-P677 WeakPolarHBondContact O-CG 3.4Å; A647-P677 WeakPolarHBondContact O-CB 3.45Å; P677-I679 PolarHBondContact O-N 2.87Å
678	L	64.1	Low	61.2	Low	80 Å²	80	95 Å²	95	42%	0.419	52%	0.524	S	S	.	.			trans	-61.9	117.3	176.1	-74.7	170.3	0	0	0	107.2	S676 T680	S676-L678 PolarHBondContact O-N 2.98Å; S676-L678 VanDerWaalsContact O-N 3.14Å; L678-T680 VanDerWaalsContact C-N 3.33Å; L678-T680 PolarHBondContact O-N 2.83Å
679	I	49.4	Very low	58	Low	152 Å²	152	99.6 Å²	99.6	78%	0.779	55%	0.552	S	S	*	*			trans	-60.1	100.2	175.4	-59.1	172.3	0	0	0	106.2	P677 T681	P677-I679 PolarHBondContact O-N 2.87Å; I679-T681 HydrophobicContact CG2-CG2 4.27Å; I679-T681 PolarHBondContact O-N 3.26Å
680	T	40.7	Very low	54.8	Low	112 Å²	112	101.9 Å²	101.9	69%	0.687	56%	0.564	S	S	*	*			trans	-63.6	98.8	160.3	34.4	0	0	0	0	105	L678 T682	L678-T680 VanDerWaalsContact C-N 3.33Å; L678-T680 PolarHBondContact O-N 2.83Å; T680-T682 PolarHBondContact O-N 3.26Å
681	T	28.3	Very low	52	Low	107 Å²	107	105.3 Å²	105.3	66%	0.656	59%	0.588	S	S	*	*			trans	-60.8	88.3	170.4	46.8	0	0	0	0	107.7	I679 T683	I679-T681 HydrophobicContact CG2-CG2 4.27Å; I679-T681 PolarHBondContact O-N 3.26Å; T681-T683 PolarHBondContact O-N 2.88Å
682	T	27.6	Very low	49.2	Very low	135 Å²	135	108.8 Å²	108.8	83%	0.828	61%	0.613	S	S	*	*			trans	-73.1	62	158.5	36.6	0	0	0	0	107.9	T680	T680-T682 PolarHBondContact O-N 3.26Å
683	T	28.2	Very low	47	Very low	117 Å²	117	111.3 Å²	111.3	72%	0.718	62%	0.619	S	S	*	*			trans	-100.4	113.6	162.3	44.2	0	0	0	0	107.5	T681	T681-T683 PolarHBondContact O-N 2.88Å
684	N	29.2	Very low	45.8	Very low	147 Å²	147	112.6 Å²	112.6	79%	0.786	63%	0.628	S	S	*	*			trans	-24.1	144.7	169.7	-66.2	-38.3	0	0	0	115.6
685	N	28.8	Very low	45.1	Very low	143 Å²	143	110.7 Å²	110.7	77%	0.765	62%	0.615	S	S	*	*	S	Bend	trans	96.9	94	159.1	-55.4	-24.8	0	0	0	118.2	N687	N685-N687 VanDerWaalsContact C-N 3.35Å; N685-N687 PolarHBondContact O-N 3.02Å
686	N	31.6	Very low	44.9	Very low	163 Å²	163	114.6 Å²	114.6	87%	0.872	63%	0.634	S	S	*	*	S	Bend	trans	51.8	7.7	132.4	-73.1	-3.1	0	0	0	123
687	N	26.6	Very low	45.5	Very low	140 Å²	140	112.1 Å²	112.1	75%	0.749	62%	0.617	S	S	*	*			trans	-125.5	70.9	175.2	-72.8	-25.7	0	0	0	112.5	N685 T689	N685-N687 VanDerWaalsContact C-N 3.35Å; N685-N687 PolarHBondContact O-N 3.02Å; N687-T689 PolarHBondContact O-N 3.33Å
688	M	25.1	Very low	46.2	Very low	184 Å²	184	111.7 Å²	111.7	91%	0.906	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	45.3	176.5	-115.6	-161.5	-178.9	0	0	113.3
689	T	28.3	Very low	47.5	Very low	115 Å²	115	107.9 Å²	107.9	71%	0.706	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	0.1	177	51.4	0	0	0	0	114.6	N687	N687-T689 PolarHBondContact O-N 3.33Å
690	N	27.6	Very low	49.5	Very low	137 Å²	137	103.2 Å²	103.2	73%	0.733	57%	0.567	S	S	*	*			trans	-99.6	16.6	179.6	-83.7	-15.2	0	0	0	115.3	S692	N690-S692 PolarHBondContact O-N 2.83Å; N690-S692 VanDerWaalsContact O-N 3.12Å
691	S	35.7	Very low	51.9	Low	72 Å²	72	102.3 Å²	102.3	50%	0.503	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-71.8	3.7	178.6	57.4	0	0	0	0	115.1	K693	S691-K693 PolarHBondContact O-N 2.72Å; S691-K693 VanDerWaalsContact O-N 3.13Å
692	S	38.9	Very low	54.9	Low	85 Å²	85	99.2 Å²	99.2	59%	0.594	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-69.3	-4.4	179.2	60.7	0	0	0	0	114.5	N690	N690-S692 PolarHBondContact O-N 2.83Å; N690-S692 VanDerWaalsContact O-N 3.12Å
693	K	47.8	Very low	58	Low	178 Å²	178	96.7 Å²	96.7	77%	0.774	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-89.2	-6.8	-175.2	-75.9	-170	175.2	-175.9	0	116.4	S691	S691-K693 PolarHBondContact O-N 2.72Å; S691-K693 VanDerWaalsContact O-N 3.13Å
694	D	65.2	Low	61	Low	96 Å²	96	91.2 Å²	91.2	51%	0.513	50%	0.498	S	S	.	.	S	Bend	trans	-98.2	1.2	-163.3	-71.9	-12.3	0	0	0	116.7
695	F	77.2	Confident	63.9	Low	53 Å²	53	84.9 Å²	84.9	23%	0.232	46%	0.464	C	S	.	.			trans	-121.4	124.9	-177.7	-54.5	-74.4	0	0	0	112.6	L697 F740 F744 L792 A798	F695-L697 HydrophobicContact CB-CD2 4.37Å; F695-F740 HydrophobicContact CB-CZ 4.48Å; F695-F740 HydrophobicContact CD2-CZ 4.03Å; F695-F740 HydrophobicContact CG-CZ 4.2Å; F695-F744 HydrophobicContact CE1-CE2 4.3Å; F695-F744 HydrophobicContact CE1-CZ 4.31Å; F695-F744 HydrophobicContact CE2-CE1 4.13Å; F695-F744 HydrophobicContact CE2-CZ 4.02Å; F695-F744 HydrophobicContact CZ-CE1 4.12Å; F695-F744 AromaticContact CZ-CE2 3.97Å; F695-F744 HydrophobicContact CZ-CE2 3.97Å; F695-F744 AromaticContact CZ-CZ 3.54Å; F695-F744 HydrophobicContact CZ-CZ 3.54Å; F695-L792 HydrophobicContact CB-CD2 4.23Å; F695-L792 HydrophobicContact CD1-CD2 4.08Å; F695-L792 HydrophobicContact CG-CD2 4.43Å; F695-A798 HydrophobicContact CE1-CB 3.92Å
696	Q	86.4	Confident	66.8	Low	93 Å²	93	78.7 Å²	78.7	44%	0.435	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-91.6	120.2	165.3	-73	-174.5	-20.3	0	0	109.1	Q793	Q696-Q793 HydrophobicContact CB-CB 3.77Å; Q696-Q793 HydrophobicContact CB-CG 4.23Å; Q696-Q793 WeakPolarHBondContact O-CB 3.21Å; Q696-Q793 PolarHBondContact O-N 3.3Å
697	L	91.1	Very high	69.1	Low	5 Å²	5	75.8 Å²	75.8	3%	0.026	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-94.6	136.8	-179.9	-57.1	-171.3	0	0	0	111.2	F695 L705 I706 F708 L737 F740 I791 L792	F695-L697 HydrophobicContact CB-CD2 4.37Å; L697-L705 CarbonylContact O-C 3.59Å; L697-L705 WeakPolarHBondContact O-CA 3.48Å; L697-I706 HydrophobicContact CB-CD1 4.29Å; L697-I706 PolarHBondContact O-N 2.99Å; L697-F708 HydrophobicContact CB-CE2 4.28Å; L697-F708 HydrophobicContact CD1-CE2 3.81Å; L697-F708 HydrophobicContact CD1-CZ 3.94Å; L697-F708 HydrophobicContact CG-CE2 4.14Å; L697-L737 HydrophobicContact CD1-CD1 3.78Å; L697-F740 HydrophobicContact CD1-CB 4.06Å; L697-F740 HydrophobicContact CD1-CD1 3.92Å; L697-F740 HydrophobicContact CD1-CG 4.03Å; L697-F740 HydrophobicContact CD2-CB 4.28Å; L697-F740 HydrophobicContact CD2-CD1 4.11Å; L697-F740 HydrophobicContact CD2-CD2 3.82Å; L697-F740 HydrophobicContact CD2-CE1 4.44Å; L697-F740 HydrophobicContact CD2-CE2 4.19Å; L697-F740 HydrophobicContact CD2-CG 3.78Å; L697-F740 HydrophobicContact CD2-CZ 4.47Å; L697-I791 CarbonylContact C-O 3.59Å; L697-I791 WeakPolarHBondContact CA-O 3.26Å; L697-I791 HydrophobicContact CD2-CG2 4.2Å; L697-L792 HydrophobicContact CD2-CD2 3.72Å
698	K	92.4	Very high	71.2	Confident	31 Å²	31	73.5 Å²	73.5	14%	0.135	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-90.5	142.7	167.6	-67.7	179.9	-63.7	-171.2	0	109.8	L700 L705 Y789 N790 I791 L792 Q793	K698-L700 PolarHBondContact O-N 3.49Å; K698-L705 HydrophobicContact CG-CD2 3.87Å; K698-Y789 PolarHBondContact NZ-O 3.27Å; K698-N790 WeakPolarHBondContact CE-O 3.4Å; K698-I791 PolarHBondContact N-O 3.34Å; K698-L792 WeakPolarHBondContact CE-O 3.49Å; K698-L792 PolarHBondContact NZ-O 3Å; K698-Q793 HydrophobicContact CG-CB 4.19Å
699	C	92.3	Very high	72.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-69.6	127.7	169.5	178.7	0	0	0	0	110.3	T701 S703 G704 I706 C726	C699-T701 PolarHBondContact O-N 3.12Å; C699-T701 PolarHBondContact SG-N 3.2Å; C699-T701 VanDerWaalsContact SG-N 3.43Å; C699-S703 WeakPolarHBondContact O-CA 3.45Å; C699-S703 PolarHBondContact O-N 3.31Å; C699-G704 PolarHBondContact N-O 3.39Å; C699-I706 HydrophobicContact CB-CD1 4.35Å; C699-I706 HydrophobicContact CB-CG1 4.08Å; C699-C726 HydrophobicContact CB-CB 3.83Å; C699-C726 WeakPolarHBondContact CB-SG 3.39Å
700	L	90.6	Very high	73.3	Confident	54 Å²	54	68.6 Å²	68.6	28%	0.283	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.9	177.4	-71.9	170.7	0	0	0	114.3	K698 S736 K739 I791	K698-L700 PolarHBondContact O-N 3.49Å; L700-S736 PolarHBondContact N-OG 3.12Å; L700-K739 HydrophobicContact CD1-CB 4.01Å; L700-K739 HydrophobicContact CD1-CD 3.49Å; L700-K739 VanDerWaalsContact CD1-CD 3.49Å; L700-K739 HydrophobicContact CD1-CG 4.37Å; L700-K739 HydrophobicContact CD2-CD 4.2Å; L700-K739 HydrophobicContact CG-CD 4.48Å; L700-I791 HydrophobicContact CD2-CD1 4.25Å; L700-I791 HydrophobicContact CD2-CG1 3.54Å; L700-I791 HydrophobicContact CG-CG1 4.31Å
701	T	91.6	Very high	73.7	Confident	94 Å²	94	69.5 Å²	69.5	58%	0.577	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-46.8	-176.9	-58.1	0	0	0	0	112.6	C699 I732	C699-T701 PolarHBondContact O-N 3.12Å; C699-T701 PolarHBondContact SG-N 3.2Å; C699-T701 VanDerWaalsContact SG-N 3.43Å; T701-I732 HydrophobicContact CG2-CG2 4.47Å; T701-I732 VanDerWaalsContact OG1-CG2 3.3Å; T701-I732 WeakPolarHBondContact OG1-CG2 3.39Å
702	C	92	Very high	73.6	Confident	42 Å²	42	73.2 Å²	73.2	28%	0.284	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-0.4	-177.1	71.2	0	0	0	0	114.5	G704	C702-G704 PolarHBondContact O-N 3.07Å
703	S	90.7	Very high	73.1	Confident	82 Å²	82	77 Å²	77	57%	0.573	42%	0.421	S	S	*	.			trans	59.5	-2	-174.7	-57.5	0	0	0	0	115.9	C699	C699-S703 WeakPolarHBondContact O-CA 3.45Å; C699-S703 PolarHBondContact O-N 3.31Å
704	G	91.2	Very high	72.4	Confident	2 Å²	2	73.2 Å²	73.2	2%	0.021	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-69	152.5	175.9	0	0	0	0	0	112.7	C699 C702 I706 H724	C699-G704 PolarHBondContact N-O 3.39Å; C702-G704 PolarHBondContact O-N 3.07Å; G704-I706 PolarHBondContact O-N 3.38Å; G704-H724 CarbonylContact C-O 3.44Å; G704-H724 WeakPolarHBondContact CA-O 3.4Å
705	L	90.8	Very high	70.8	Confident	14 Å²	14	75.5 Å²	75.5	7%	0.073	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-67.9	129.8	178.9	-62.3	-170.8	0	0	0	111	L697 K698 N707 V723 H724 Y725 C726 Q793	L697-L705 CarbonylContact O-C 3.59Å; L697-L705 WeakPolarHBondContact O-CA 3.48Å; K698-L705 HydrophobicContact CG-CD2 3.87Å; L705-N707 PolarHBondContact O-N 3.26Å; L705-V723 HydrophobicContact CB-CG1 4.14Å; L705-V723 HydrophobicContact CD1-CG1 3.49Å; L705-V723 VanDerWaalsContact CD1-CG1 3.49Å; L705-V723 HydrophobicContact CG-CG1 3.96Å; L705-H724 PolarHBondContact N-O 2.87Å; L705-Y725 HydrophobicContact CB-CD1 4.13Å; L705-Y725 HydrophobicContact CB-CE1 4.43Å; L705-Y725 CarbonylContact O-C 3.58Å; L705-Y725 WeakPolarHBondContact O-CA 3.41Å; L705-C726 PolarHBondContact O-N 3.17Å; L705-Q793 HydrophobicContact CD1-CG 4.39Å; L705-Q793 HydrophobicContact CD2-CB 3.61Å; L705-Q793 HydrophobicContact CD2-CG 3.66Å
706	I	89.2	Confident	68.7	Low	12 Å²	12	80.9 Å²	80.9	6%	0.062	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-79	119.6	175.3	-58	174.6	0	0	0	107.8	L697 C699 G704 F708 C726 Q733	L697-I706 HydrophobicContact CB-CD1 4.29Å; L697-I706 PolarHBondContact O-N 2.99Å; C699-I706 HydrophobicContact CB-CD1 4.35Å; C699-I706 HydrophobicContact CB-CG1 4.08Å; G704-I706 PolarHBondContact O-N 3.38Å; I706-F708 HydrophobicContact CB-CE2 4.13Å; I706-F708 HydrophobicContact CB-CZ 4.17Å; I706-F708 HydrophobicContact CG2-CD1 4.12Å; I706-F708 HydrophobicContact CG2-CD2 4.2Å; I706-F708 HydrophobicContact CG2-CE1 3.67Å; I706-F708 HydrophobicContact CG2-CE2 3.76Å; I706-F708 HydrophobicContact CG2-CG 4.36Å; I706-F708 HydrophobicContact CG2-CZ 3.47Å; I706-F708 VanDerWaalsContact CG2-CZ 3.47Å; I706-C726 HydrophobicContact CG1-CB 4.28Å; I706-Q733 HydrophobicContact CD1-CB 4.38Å; I706-Q733 HydrophobicContact CG2-CB 4.21Å; I706-Q733 HydrophobicContact CG2-CG 4.42Å
707	N	81	Confident	66	Low	102 Å²	102	86.6 Å²	86.6	55%	0.545	48%	0.484	S	S	.	.			trans	-92.4	106.3	174.3	-173.4	-1.1	0	0	0	109.4	L705 G709 Y725	L705-N707 PolarHBondContact O-N 3.26Å; N707-G709 PolarHBondContact O-N 3.03Å; N707-G709 WeakPolarHBondContact OD1-CA 3.47Å; N707-G709 PolarHBondContact OD1-N 2.95Å; N707-Y725 HydrophobicContact CB-CD1 3.93Å; N707-Y725 HydrophobicContact CB-CE1 4.16Å
708	F	69.9	Low	63.3	Low	92 Å²	92	91.9 Å²	91.9	40%	0.404	52%	0.522	S	S	.	.			trans	-83.1	6.6	174.5	-64.3	-72.4	0	0	0	113.5	L697 I706 T710 L711 L737	L697-F708 HydrophobicContact CB-CE2 4.28Å; L697-F708 HydrophobicContact CD1-CE2 3.81Å; L697-F708 HydrophobicContact CD1-CZ 3.94Å; L697-F708 HydrophobicContact CG-CE2 4.14Å; I706-F708 HydrophobicContact CB-CE2 4.13Å; I706-F708 HydrophobicContact CB-CZ 4.17Å; I706-F708 HydrophobicContact CG2-CD1 4.12Å; I706-F708 HydrophobicContact CG2-CD2 4.2Å; I706-F708 HydrophobicContact CG2-CE1 3.67Å; I706-F708 HydrophobicContact CG2-CE2 3.76Å; I706-F708 HydrophobicContact CG2-CG 4.36Å; I706-F708 HydrophobicContact CG2-CZ 3.47Å; I706-F708 VanDerWaalsContact CG2-CZ 3.47Å; F708-T710 PolarHBondContact O-N 3.25Å; F708-L711 PolarHBondContact O-N 3.45Å; F708-L737 HydrophobicContact CE1-CB 4.47Å; F708-L737 HydrophobicContact CE1-CD2 3.96Å; F708-L737 HydrophobicContact CZ-CB 4.19Å; F708-L737 HydrophobicContact CZ-CD1 4.01Å; F708-L737 HydrophobicContact CZ-CD2 4.26Å; F708-L737 HydrophobicContact CZ-CG 4.38Å
709	G	55.7	Low	60.6	Low	55 Å²	55	95.5 Å²	95.5	57%	0.567	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	21.3	-169.2	0	0	0	0	0	118.2	N707	N707-G709 PolarHBondContact O-N 3.03Å; N707-G709 WeakPolarHBondContact OD1-CA 3.47Å; N707-G709 PolarHBondContact OD1-N 2.95Å
710	T	42	Very low	58.1	Low	142 Å²	142	103.9 Å²	103.9	87%	0.871	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	3.3	167.1	33.3	0	0	0	0	114.5	F708	F708-T710 PolarHBondContact O-N 3.25Å
711	L	37.1	Very low	55.9	Low	155 Å²	155	105.7 Å²	105.7	81%	0.812	60%	0.598	S	S	*	*	S	Bend	trans	-105.3	-14.5	177.3	-104.6	140.8	0	0	0	116	F708	F708-L711 PolarHBondContact O-N 3.45Å
712	L	32.1	Very low	54.3	Low	150 Å²	150	111.7 Å²	111.7	79%	0.785	62%	0.616	S	S	*	*	S	Bend	trans	-147.9	129.8	178.8	-69.1	167.8	0	0	0	111.1
713	N	29.8	Very low	53	Low	164 Å²	164	111.5 Å²	111.5	88%	0.877	61%	0.613	S	S	*	*			trans	-59.8	144	-167.3	-79.3	-29.3	0	0	0	117.4
714	S	31.3	Very low	52.6	Low	99 Å²	99	113.6 Å²	113.6	69%	0.692	61%	0.614	S	S	*	*			trans	56.8	126.1	142	65.9	0	0	0	0	122.6
715	D	32.5	Very low	52.5	Low	144 Å²	144	118.5 Å²	118.5	77%	0.77	63%	0.632	S	S	*	*			trans	67.6	91.3	140.5	-59	-26.2	0	0	0	119.6
716	N	32.6	Very low	52.5	Low	166 Å²	166	118.2 Å²	118.2	89%	0.888	63%	0.632	S	S	*	*			trans	-157.8	98.9	134.9	-95.8	-31.7	0	0	0	110.3	S718	N716-S718 PolarHBondContact O-N 3Å
717	K	31.2	Very low	52.5	Low	213 Å²	213	125.3 Å²	125.3	93%	0.926	67%	0.665	S	S	*	*			trans	-80.1	96.8	169.3	-73.5	178.1	177.8	173.2	0	108.6
718	S	34.4	Very low	53.1	Low	116 Å²	116	121.7 Å²	121.7	81%	0.811	65%	0.647	S	S	*	*			trans	-98.6	110.6	160.2	57.8	0	0	0	0	109.6	N716	N716-S718 PolarHBondContact O-N 3Å
719	S	35.4	Very low	54.2	Low	107 Å²	107	120.4 Å²	120.4	75%	0.748	65%	0.649	S	S	*	*			trans	-68	119.5	173.6	43.9	0	0	0	0	111.1
720	L	39.2	Very low	55.8	Low	177 Å²	177	124.5 Å²	124.5	93%	0.927	65%	0.654	S	S	*	*			trans	175.9	-2.7	144.8	-99.1	153.4	0	0	0	116.1
721	R	45.2	Very low	58.3	Low	92 Å²	92	122.1 Å²	122.1	35%	0.347	64%	0.641	S	S	.	*			trans	-96.5	131	171.6	-80.8	-174.2	175.5	171.5	-0.5	111.3	E673 V723	E673-R721 IonicContact OE1-NE 3.61Å; E673-R721 IonicContact OE2-CZ 2.66Å; E673-R721 IonicContact OE2-NE 3.51Å; E673-R721 PolarHBondContact OE2-NE 3.24Å; E673-R721 IonicContact OE2-NH2 2.83Å; E673-R721 PolarHBondContact OE2-NH2 3.13Å; R721-V723 HydrophobicContact CB-CB 4.17Å; R721-V723 HydrophobicContact CB-CG2 3.16Å; R721-V723 HydrophobicContact CG-CG2 4.01Å; R721-V723 PolarHBondContact O-N 3.19Å
722	K	56.2	Low	60.8	Low	220 Å²	220	117.4 Å²	117.4	96%	0.957	62%	0.616	S	S	*	*			trans	-69.5	71.8	142.9	-79.9	-173.9	-179.7	177.8	0	106.8	H724	K722-H724 PolarHBondContact O-N 2.95Å
723	V	66.2	Low	63.6	Low	37 Å²	37	112.2 Å²	112.2	22%	0.224	59%	0.587	C	S	.	*			trans	-66.5	118.1	176.6	-171.4	0	0	0	0	106.9	L705 R721 Y725	L705-V723 HydrophobicContact CB-CG1 4.14Å; L705-V723 HydrophobicContact CD1-CG1 3.49Å; L705-V723 VanDerWaalsContact CD1-CG1 3.49Å; L705-V723 HydrophobicContact CG-CG1 3.96Å; R721-V723 HydrophobicContact CB-CB 4.17Å; R721-V723 HydrophobicContact CB-CG2 3.16Å; R721-V723 HydrophobicContact CG-CG2 4.01Å; R721-V723 PolarHBondContact O-N 3.19Å; V723-Y725 HydrophobicContact CB-CD2 3.85Å; V723-Y725 HydrophobicContact CB-CE1 4.49Å; V723-Y725 HydrophobicContact CB-CE2 3.47Å; V723-Y725 VanDerWaalsContact CB-CE2 3.47Å; V723-Y725 HydrophobicContact CG1-CD1 4.06Å; V723-Y725 HydrophobicContact CG1-CD2 3.92Å; V723-Y725 HydrophobicContact CG1-CE1 3.84Å; V723-Y725 HydrophobicContact CG1-CE2 3.71Å; V723-Y725 HydrophobicContact CG1-CG 4.1Å; V723-Y725 HydrophobicContact CG2-CE2 3.96Å; V723-Y725 PolarHBondContact O-N 3.33Å
724	H	81.1	Confident	66.5	Low	127 Å²	127	108.5 Å²	108.5	59%	0.588	57%	0.567	S	S	*	*			trans	-76.2	93.7	167.8	-174.1	-90.2	0	0	0	108.6	G704 L705 K722	G704-H724 CarbonylContact C-O 3.44Å; G704-H724 WeakPolarHBondContact CA-O 3.4Å; L705-H724 PolarHBondContact N-O 2.87Å; K722-H724 PolarHBondContact O-N 2.95Å
725	Y	88.8	Confident	69.4	Low	104 Å²	104	110.7 Å²	110.7	41%	0.408	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-76.1	139.8	173.6	-71.5	-76.8	0	0	0	110.9	L705 N707 V723 Q727	L705-Y725 HydrophobicContact CB-CD1 4.13Å; L705-Y725 HydrophobicContact CB-CE1 4.43Å; L705-Y725 CarbonylContact O-C 3.58Å; L705-Y725 WeakPolarHBondContact O-CA 3.41Å; N707-Y725 HydrophobicContact CB-CD1 3.93Å; N707-Y725 HydrophobicContact CB-CE1 4.16Å; V723-Y725 HydrophobicContact CB-CD2 3.85Å; V723-Y725 HydrophobicContact CB-CE1 4.49Å; V723-Y725 HydrophobicContact CB-CE2 3.47Å; V723-Y725 VanDerWaalsContact CB-CE2 3.47Å; V723-Y725 HydrophobicContact CG1-CD1 4.06Å; V723-Y725 HydrophobicContact CG1-CD2 3.92Å; V723-Y725 HydrophobicContact CG1-CE1 3.84Å; V723-Y725 HydrophobicContact CG1-CE2 3.71Å; V723-Y725 HydrophobicContact CG1-CG 4.1Å; V723-Y725 HydrophobicContact CG2-CE2 3.96Å; V723-Y725 PolarHBondContact O-N 3.33Å; Y725-Q727 PolarHBondContact O-N 3.47Å; Y725-Q727 PolarHBondContact O-NE2 3.32Å
726	C	90.8	Very high	72.2	Confident	8 Å²	8	103.9 Å²	103.9	5%	0.054	53%	0.528	C	S	.	.			trans	-59.5	126.5	174.6	175.9	0	0	0	0	111	C699 L705 I706 C728	C699-C726 HydrophobicContact CB-CB 3.83Å; C699-C726 WeakPolarHBondContact CB-SG 3.39Å; L705-C726 PolarHBondContact O-N 3.17Å; I706-C726 HydrophobicContact CG1-CB 4.28Å; C726-C728 VanDerWaalsContact SG-CB 3.54Å; C726-C728 PolarHBondContact SG-N 3.1Å
727	Q	90.9	Very high	75	Confident	162 Å²	162	97.8 Å²	97.8	76%	0.757	50%	0.495	S	S	*	.			trans	-107.2	8.1	172.5	-55.3	-55.3	-44	0	0	112.4	Y725	Y725-Q727 PolarHBondContact O-N 3.47Å; Y725-Q727 PolarHBondContact O-NE2 3.32Å
728	C	92.8	Very high	77.9	Confident	25 Å²	25	91.1 Å²	91.1	17%	0.169	48%	0.475	C	S	.	.	S	Bend	trans	-64.7	155.9	176.1	-59.6	0	0	0	0	110.8	C726 I732 Q733	C726-C728 VanDerWaalsContact SG-CB 3.54Å; C726-C728 PolarHBondContact SG-N 3.1Å; C728-I732 HydrophobicContact CB-CB 3.85Å; C728-I732 HydrophobicContact CB-CD1 4.06Å; C728-I732 HydrophobicContact CB-CG2 3.65Å; C728-Q733 PolarHBondContact O-NE2 2.92Å
729	S	92.5	Very high	80.7	Confident	65 Å²	65	89 Å²	89	46%	0.455	45%	0.452	S	S	.	.			trans	-58.7	154.5	178.1	66.5	0	0	0	0	112.5	P731 I732 Q733	S729-P731 VanDerWaalsContact C-CD 3.47Å; S729-P731 VanDerWaalsContact C-N 3.32Å; S729-I732 WeakPolarHBondContact O-CB 3.29Å; S729-I732 PolarHBondContact O-N 3.03Å; S729-Q733 PolarHBondContact O-N 2.91Å; S729-Q733 VanDerWaalsContact O-N 3.1Å
730	Q	90.7	Very high	83.5	Confident	141 Å²	141	84.4 Å²	84.4	66%	0.659	42%	0.418	S	S	*	.	H	α-helix	trans	-52.5	-41.2	179.9	-172.3	-178.3	4.7	0	0	113.5	I732 Q733 L734	Q730-I732 VanDerWaalsContact C-N 3.29Å; Q730-I732 PolarHBondContact O-N 3.35Å; Q730-Q733 PolarHBondContact O-N 3.34Å; Q730-L734 HydrophobicContact CG-CD1 4Å; Q730-L734 HydrophobicContact CG-CG 4.21Å; Q730-L734 WeakPolarHBondContact O-CB 3.18Å; Q730-L734 VanDerWaalsContact O-CG 3.31Å; Q730-L734 WeakPolarHBondContact O-CG 3.35Å; Q730-L734 PolarHBondContact O-N 3.17Å
731	P	92.8	Very high	86	Confident	93 Å²	93	80.2 Å²	80.2	60%	0.604	39%	0.393	S	S	*	.	H	α-helix	trans	-57.1	-37.7	173.8	-27.4	36.2	0	0	0	114.2	S729 K735	S729-P731 VanDerWaalsContact C-CD 3.47Å; S729-P731 VanDerWaalsContact C-N 3.32Å; P731-K735 PolarHBondContact O-N 3.25Å
732	I	90.8	Very high	88.4	Confident	55 Å²	55	82.7 Å²	82.7	28%	0.282	41%	0.407	S	S	.	.	H	α-helix	trans	-71	-40.9	178.1	-63.8	172.1	0	0	0	110.7	T701 C728 S729 Q730 K735 S736	T701-I732 HydrophobicContact CG2-CG2 4.47Å; T701-I732 VanDerWaalsContact OG1-CG2 3.3Å; T701-I732 WeakPolarHBondContact OG1-CG2 3.39Å; C728-I732 HydrophobicContact CB-CB 3.85Å; C728-I732 HydrophobicContact CB-CD1 4.06Å; C728-I732 HydrophobicContact CB-CG2 3.65Å; S729-I732 WeakPolarHBondContact O-CB 3.29Å; S729-I732 PolarHBondContact O-N 3.03Å; Q730-I732 VanDerWaalsContact C-N 3.29Å; Q730-I732 PolarHBondContact O-N 3.35Å; I732-K735 WeakPolarHBondContact O-CB 3.43Å; I732-K735 PolarHBondContact O-N 3.24Å; I732-S736 PolarHBondContact O-N 2.92Å; I732-S736 PolarHBondContact O-OG 2.85Å
733	Q	90.3	Very high	90.2	Very high	41 Å²	41	73.1 Å²	73.1	19%	0.192	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-45.2	174.9	-61.5	-176.3	20.3	0	0	111.1	I706 C728 S729 Q730 K735 S736 L737	I706-Q733 HydrophobicContact CD1-CB 4.38Å; I706-Q733 HydrophobicContact CG2-CB 4.21Å; I706-Q733 HydrophobicContact CG2-CG 4.42Å; C728-Q733 PolarHBondContact O-NE2 2.92Å; S729-Q733 PolarHBondContact O-N 2.91Å; S729-Q733 VanDerWaalsContact O-N 3.1Å; Q730-Q733 PolarHBondContact O-N 3.34Å; Q733-K735 VanDerWaalsContact C-N 3.29Å; Q733-K735 PolarHBondContact O-N 3.22Å; Q733-S736 WeakPolarHBondContact O-CB 3.31Å; Q733-S736 PolarHBondContact O-N 3.37Å; Q733-L737 PolarHBondContact O-N 3.39Å; Q733-L737 VanDerWaalsContact O-N 3.07Å
734	L	91.3	Very high	91.5	Very high	86 Å²	86	71.6 Å²	71.6	45%	0.45	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-32.9	176.9	-72.4	175	0	0	0	112.8	Q730 S736 L737 S738	Q730-L734 HydrophobicContact CG-CD1 4Å; Q730-L734 HydrophobicContact CG-CG 4.21Å; Q730-L734 WeakPolarHBondContact O-CB 3.18Å; Q730-L734 VanDerWaalsContact O-CG 3.31Å; Q730-L734 WeakPolarHBondContact O-CG 3.35Å; Q730-L734 PolarHBondContact O-N 3.17Å; L734-S736 VanDerWaalsContact C-N 3.3Å; L734-S736 PolarHBondContact O-N 2.77Å; L734-L737 HydrophobicContact CD2-CD2 4.29Å; L734-L737 PolarHBondContact O-N 2.98Å; L734-S738 WeakPolarHBondContact O-CB 3.5Å; L734-S738 PolarHBondContact O-N 3.36Å
735	K	92.2	Very high	92	Very high	145 Å²	145	70 Å²	70	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-61	-39.6	172	-175	179.9	179.4	-179.5	0	112	P731 I732 Q733 K739	P731-K735 PolarHBondContact O-N 3.25Å; I732-K735 WeakPolarHBondContact O-CB 3.43Å; I732-K735 PolarHBondContact O-N 3.24Å; Q733-K735 VanDerWaalsContact C-N 3.29Å; Q733-K735 PolarHBondContact O-N 3.22Å; K735-K739 PolarHBondContact O-N 3.19Å
736	S	90.9	Very high	92.2	Very high	1 Å²	1	71 Å²	71	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-68.6	-44.1	177.7	-51.3	0	0	0	0	111.1	L700 I732 Q733 L734 K739 F740	L700-S736 PolarHBondContact N-OG 3.12Å; I732-S736 PolarHBondContact O-N 2.92Å; I732-S736 PolarHBondContact O-OG 2.85Å; Q733-S736 WeakPolarHBondContact O-CB 3.31Å; Q733-S736 PolarHBondContact O-N 3.37Å; L734-S736 VanDerWaalsContact C-N 3.3Å; L734-S736 PolarHBondContact O-N 2.77Å; S736-K739 PolarHBondContact O-N 3.19Å; S736-F740 PolarHBondContact O-N 2.9Å
737	L	90.8	Very high	92.3	Very high	39 Å²	39	72.6 Å²	72.6	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-45.3	174.2	179.3	62.2	0	0	0	112.3	L697 F708 Q733 L734 K739 F740 Q741	L697-L737 HydrophobicContact CD1-CD1 3.78Å; F708-L737 HydrophobicContact CE1-CB 4.47Å; F708-L737 HydrophobicContact CE1-CD2 3.96Å; F708-L737 HydrophobicContact CZ-CB 4.19Å; F708-L737 HydrophobicContact CZ-CD1 4.01Å; F708-L737 HydrophobicContact CZ-CD2 4.26Å; F708-L737 HydrophobicContact CZ-CG 4.38Å; Q733-L737 PolarHBondContact O-N 3.39Å; Q733-L737 VanDerWaalsContact O-N 3.07Å; L734-L737 HydrophobicContact CD2-CD2 4.29Å; L734-L737 PolarHBondContact O-N 2.98Å; L737-K739 VanDerWaalsContact C-N 3.34Å; L737-K739 PolarHBondContact O-N 2.91Å; L737-F740 HydrophobicContact CD1-CD1 4.33Å; L737-F740 WeakPolarHBondContact O-CB 3.44Å; L737-F740 PolarHBondContact O-N 3.3Å; L737-Q741 HydrophobicContact CD1-CG 4.31Å; L737-Q741 WeakPolarHBondContact O-CG 3.45Å; L737-Q741 PolarHBondContact O-N 3.13Å
738	S	93.2	Very high	92.5	Very high	72 Å²	72	64.9 Å²	64.9	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-42.1	178.5	178.8	0	0	0	0	111.7	L734 Q741 K742	L734-S738 WeakPolarHBondContact O-CB 3.5Å; L734-S738 PolarHBondContact O-N 3.36Å; S738-Q741 PolarHBondContact O-N 2.84Å; S738-K742 WeakPolarHBondContact O-CB 3.22Å; S738-K742 PolarHBondContact O-N 3.33Å
739	K	93.6	Very high	92.5	Very high	73 Å²	73	69.5 Å²	69.5	32%	0.317	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175.1	-167.4	177.1	179.5	-178.5	0	111.5	L700 K735 S736 L737 K742 L743 E786 I791	L700-K739 HydrophobicContact CD1-CB 4.01Å; L700-K739 HydrophobicContact CD1-CD 3.49Å; L700-K739 VanDerWaalsContact CD1-CD 3.49Å; L700-K739 HydrophobicContact CD1-CG 4.37Å; L700-K739 HydrophobicContact CD2-CD 4.2Å; L700-K739 HydrophobicContact CG-CD 4.48Å; K735-K739 PolarHBondContact O-N 3.19Å; S736-K739 PolarHBondContact O-N 3.19Å; L737-K739 VanDerWaalsContact C-N 3.34Å; L737-K739 PolarHBondContact O-N 2.91Å; K739-K742 PolarHBondContact O-N 3.48Å; K739-L743 HydrophobicContact CG-CD1 4.02Å; K739-L743 HydrophobicContact CG-CG 4.47Å; K739-L743 WeakPolarHBondContact O-CG 3.46Å; K739-L743 PolarHBondContact O-N 2.82Å; K739-E786 WeakPolarHBondContact CE-O 3.4Å; K739-E786 PolarHBondContact NZ-O 3.5Å; K739-I791 HydrophobicContact CB-CD1 4.12Å; K739-I791 HydrophobicContact CD-CD1 3.71Å; K739-I791 HydrophobicContact CG-CD1 3.68Å
740	F	92.8	Very high	92.5	Very high	9 Å²	9	69.7 Å²	69.7	4%	0.039	34%	0.343	C	S	.	.	H	α-helix	trans	-55.9	-52.8	173	170.3	-111.3	0	0	0	111.4	F695 L697 S736 L737 K742 L743 F744 Y745 L788 I791 L792	F695-F740 HydrophobicContact CB-CZ 4.48Å; F695-F740 HydrophobicContact CD2-CZ 4.03Å; F695-F740 HydrophobicContact CG-CZ 4.2Å; L697-F740 HydrophobicContact CD1-CB 4.06Å; L697-F740 HydrophobicContact CD1-CD1 3.92Å; L697-F740 HydrophobicContact CD1-CG 4.03Å; L697-F740 HydrophobicContact CD2-CB 4.28Å; L697-F740 HydrophobicContact CD2-CD1 4.11Å; L697-F740 HydrophobicContact CD2-CD2 3.82Å; L697-F740 HydrophobicContact CD2-CE1 4.44Å; L697-F740 HydrophobicContact CD2-CE2 4.19Å; L697-F740 HydrophobicContact CD2-CG 3.78Å; L697-F740 HydrophobicContact CD2-CZ 4.47Å; S736-F740 PolarHBondContact O-N 2.9Å; L737-F740 HydrophobicContact CD1-CD1 4.33Å; L737-F740 WeakPolarHBondContact O-CB 3.44Å; L737-F740 PolarHBondContact O-N 3.3Å; F740-K742 VanDerWaalsContact C-N 3.28Å; F740-K742 PolarHBondContact O-N 2.85Å; F740-L743 PolarHBondContact O-N 3.37Å; F740-L743 VanDerWaalsContact O-N 3.16Å; F740-F744 HydrophobicContact CD2-CB 3.9Å; F740-F744 HydrophobicContact CE2-CB 3.46Å; F740-F744 VanDerWaalsContact CE2-CB 3.46Å; F740-F744 HydrophobicContact CE2-CD1 4.22Å; F740-F744 HydrophobicContact CE2-CD2 4.03Å; F740-F744 AromaticContact CE2-CG 3.63Å; F740-F744 HydrophobicContact CE2-CG 3.63Å; F740-F744 HydrophobicContact CZ-CB 3.84Å; F740-F744 AromaticContact CZ-CD1 3.88Å; F740-F744 HydrophobicContact CZ-CD1 3.88Å; F740-F744 HydrophobicContact CZ-CD2 4.43Å; F740-F744 AromaticContact CZ-CG 3.78Å; F740-F744 HydrophobicContact CZ-CG 3.78Å; F740-F744 VanDerWaalsContact O-CB 3.28Å; F740-F744 WeakPolarHBondContact O-CB 3.43Å; F740-F744 PolarHBondContact O-N 3Å; F740-Y745 HydrophobicContact CE1-CD2 4.43Å; F740-Y745 AromaticContact CE1-CE2 3.78Å; F740-Y745 HydrophobicContact CE1-CE2 3.78Å; F740-Y745 HydrophobicContact CZ-CE2 4.37Å; F740-L788 HydrophobicContact CD2-CD2 4.44Å; F740-I791 HydrophobicContact CB-CG2 3.77Å; F740-I791 HydrophobicContact CD2-CG2 4.35Å; F740-I791 HydrophobicContact CG-CG2 4.45Å; F740-L792 HydrophobicContact CD2-CD2 3.95Å; F740-L792 HydrophobicContact CE2-CD2 3.71Å
741	Q	92.7	Very high	92.6	Very high	89 Å²	89	66 Å²	66	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-58	-41.7	-178.8	-72.9	174.6	-33.4	0	0	111.9	L737 S738 Y745 N746	L737-Q741 HydrophobicContact CD1-CG 4.31Å; L737-Q741 WeakPolarHBondContact O-CG 3.45Å; L737-Q741 PolarHBondContact O-N 3.13Å; S738-Q741 PolarHBondContact O-N 2.84Å; Q741-Y745 HydrophobicContact CB-CD2 4.41Å; Q741-Y745 HydrophobicContact CG-CD2 4.19Å; Q741-Y745 PolarHBondContact O-N 3.43Å; Q741-N746 PolarHBondContact O-N 3.46Å
742	K	94.6	Very high	92.5	Very high	145 Å²	145	64 Å²	64	63%	0.63	31%	0.307	S	S	*	.	H	α-helix	trans	-63.3	-45	176.3	-176.4	-175.7	175.5	-176.5	0	112.7	S738 K739 F740 N746	S738-K742 WeakPolarHBondContact O-CB 3.22Å; S738-K742 PolarHBondContact O-N 3.33Å; K739-K742 PolarHBondContact O-N 3.48Å; F740-K742 VanDerWaalsContact C-N 3.28Å; F740-K742 PolarHBondContact O-N 2.85Å; K742-N746 WeakPolarHBondContact O-CB 3.35Å
743	L	94.7	Very high	92.4	Very high	18 Å²	18	67 Å²	67	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-79.1	-36.3	-175.9	-67.5	177.3	0	0	0	112.5	K739 F740 L748 M782 H787 L788 I791	K739-L743 HydrophobicContact CG-CD1 4.02Å; K739-L743 HydrophobicContact CG-CG 4.47Å; K739-L743 WeakPolarHBondContact O-CG 3.46Å; K739-L743 PolarHBondContact O-N 2.82Å; F740-L743 PolarHBondContact O-N 3.37Å; F740-L743 VanDerWaalsContact O-N 3.16Å; L743-L748 PolarHBondContact O-N 2.94Å; L743-L748 VanDerWaalsContact O-N 3.12Å; L743-M782 HydrophobicContact CD2-CE 4.32Å; L743-H787 HydrophobicContact CD1-CB 4.02Å; L743-L788 HydrophobicContact CB-CD2 3.64Å; L743-L788 HydrophobicContact CB-CG 4.21Å; L743-L788 HydrophobicContact CD1-CD2 4.24Å; L743-I791 HydrophobicContact CD1-CD1 3.76Å
744	F	93.6	Very high	92.6	Very high	6 Å²	6	67.9 Å²	67.9	3%	0.026	33%	0.332	C	S	.	.	I	π-helix	trans	-88.3	-68.5	-175.7	-169.9	-93.8	0	0	0	111.8	F695 F740 D747 L748 Y749 F752 A798	F695-F744 HydrophobicContact CE1-CE2 4.3Å; F695-F744 HydrophobicContact CE1-CZ 4.31Å; F695-F744 HydrophobicContact CE2-CE1 4.13Å; F695-F744 HydrophobicContact CE2-CZ 4.02Å; F695-F744 HydrophobicContact CZ-CE1 4.12Å; F695-F744 AromaticContact CZ-CE2 3.97Å; F695-F744 HydrophobicContact CZ-CE2 3.97Å; F695-F744 AromaticContact CZ-CZ 3.54Å; F695-F744 HydrophobicContact CZ-CZ 3.54Å; F740-F744 HydrophobicContact CD2-CB 3.9Å; F740-F744 HydrophobicContact CE2-CB 3.46Å; F740-F744 VanDerWaalsContact CE2-CB 3.46Å; F740-F744 HydrophobicContact CE2-CD1 4.22Å; F740-F744 HydrophobicContact CE2-CD2 4.03Å; F740-F744 AromaticContact CE2-CG 3.63Å; F740-F744 HydrophobicContact CE2-CG 3.63Å; F740-F744 HydrophobicContact CZ-CB 3.84Å; F740-F744 AromaticContact CZ-CD1 3.88Å; F740-F744 HydrophobicContact CZ-CD1 3.88Å; F740-F744 HydrophobicContact CZ-CD2 4.43Å; F740-F744 AromaticContact CZ-CG 3.78Å; F740-F744 HydrophobicContact CZ-CG 3.78Å; F740-F744 VanDerWaalsContact O-CB 3.28Å; F740-F744 WeakPolarHBondContact O-CB 3.43Å; F740-F744 PolarHBondContact O-N 3Å; F744-D747 PolarHBondContact O-N 3.2Å; F744-L748 HydrophobicContact CD2-CB 4.49Å; F744-L748 HydrophobicContact CD2-CD2 3.95Å; F744-L748 HydrophobicContact CE2-CD2 4.07Å; F744-L748 PolarHBondContact O-N 3.49Å; F744-L748 VanDerWaalsContact O-N 3.13Å; F744-Y749 HydrophobicContact CE1-CD2 4.03Å; F744-Y749 HydrophobicContact CZ-CD2 4.41Å; F744-Y749 WeakPolarHBondContact O-CB 3.46Å; F744-Y749 PolarHBondContact O-N 2.85Å; F744-F752 HydrophobicContact CE2-CE2 4.21Å; F744-F752 HydrophobicContact CE2-CZ 4.16Å; F744-F752 HydrophobicContact CZ-CE2 4.02Å; F744-F752 HydrophobicContact CZ-CZ 4.42Å; F744-A798 HydrophobicContact CD2-CB 4.43Å; F744-A798 HydrophobicContact CE2-CB 3.68Å
745	Y	91.8	Very high	92.7	Very high	93 Å²	93	64 Å²	64	37%	0.365	31%	0.312	S	S	.	.	I	π-helix	trans	-71.3	-38.2	-172.8	-67.8	-63.5	0	0	0	113	F740 Q741 D747	F740-Y745 HydrophobicContact CE1-CD2 4.43Å; F740-Y745 AromaticContact CE1-CE2 3.78Å; F740-Y745 HydrophobicContact CE1-CE2 3.78Å; F740-Y745 HydrophobicContact CZ-CE2 4.37Å; Q741-Y745 HydrophobicContact CB-CD2 4.41Å; Q741-Y745 HydrophobicContact CG-CD2 4.19Å; Q741-Y745 PolarHBondContact O-N 3.43Å; Y745-D747 VanDerWaalsContact C-N 3.31Å; Y745-D747 PolarHBondContact O-N 2.95Å
746	N	92.2	Very high	92.6	Very high	125 Å²	125	57.3 Å²	57.3	67%	0.668	28%	0.283	S	S	*	.	I	π-helix	trans	-83.9	-5.7	-177.9	-56.1	-8.3	0	0	0	113.4	Q741 K742	Q741-N746 PolarHBondContact O-N 3.46Å; K742-N746 WeakPolarHBondContact O-CB 3.35Å
747	D	94	Very high	92.5	Very high	42 Å²	42	60.8 Å²	60.8	23%	0.225	30%	0.301	C	S	.	.	I	π-helix	trans	-140.3	-79.4	-179.3	-173.4	16.5	0	0	0	112.1	F744 Y745 Y749 T750 K751 Y778	F744-D747 PolarHBondContact O-N 3.2Å; Y745-D747 VanDerWaalsContact C-N 3.31Å; Y745-D747 PolarHBondContact O-N 2.95Å; D747-Y749 VanDerWaalsContact C-N 3.28Å; D747-Y749 PolarHBondContact O-N 3.2Å; D747-Y749 VanDerWaalsContact O-N 3.12Å; D747-T750 PolarHBondContact O-N 3.43Å; D747-T750 PolarHBondContact O-OG1 2.91Å; D747-K751 PolarHBondContact O-N 3.43Å; D747-K751 VanDerWaalsContact OD1-CE 3.27Å; D747-K751 WeakPolarHBondContact OD1-CE 3.36Å; D747-Y778 PolarHBondContact OD1-OH 3.39Å; D747-Y778 WeakPolarHBondContact OD2-CE2 3.25Å; D747-Y778 PolarHBondContact OD2-OH 3.07Å
748	L	94.2	Very high	92.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.307	C	S	.	.	I	π-helix	trans	-53.2	-40.8	-170.5	-179.8	61.2	0	0	0	113.8	L743 F744 T750 K751 F752 Y778 L788 A798 W801 L802	L743-L748 PolarHBondContact O-N 2.94Å; L743-L748 VanDerWaalsContact O-N 3.12Å; F744-L748 HydrophobicContact CD2-CB 4.49Å; F744-L748 HydrophobicContact CD2-CD2 3.95Å; F744-L748 HydrophobicContact CE2-CD2 4.07Å; F744-L748 PolarHBondContact O-N 3.49Å; F744-L748 VanDerWaalsContact O-N 3.13Å; L748-T750 PolarHBondContact O-N 3.45Å; L748-K751 HydrophobicContact CD1-CB 4.43Å; L748-K751 WeakPolarHBondContact O-CA 3.46Å; L748-K751 VanDerWaalsContact O-CB 3.31Å; L748-K751 WeakPolarHBondContact O-CB 3.27Å; L748-K751 PolarHBondContact O-N 3.1Å; L748-F752 HydrophobicContact CD1-CD1 4.44Å; L748-F752 HydrophobicContact CD1-CE1 4Å; L748-F752 HydrophobicContact CD2-CE1 4.23Å; L748-F752 HydrophobicContact CD2-CZ 4.09Å; L748-F752 HydrophobicContact CG-CE1 3.91Å; L748-F752 HydrophobicContact CG-CZ 3.98Å; L748-F752 PolarHBondContact O-N 2.93Å; L748-Y778 WeakPolarHBondContact CA-OH 3.27Å; L748-Y778 HydrophobicContact CD1-CE1 4.44Å; L748-L788 HydrophobicContact CD2-CD1 3.42Å; L748-L788 VanDerWaalsContact CD2-CD1 3.42Å; L748-A798 HydrophobicContact CD2-CB 4.46Å; L748-W801 HydrophobicContact CD1-CE3 4.4Å; L748-W801 HydrophobicContact CD1-CZ3 3.93Å; L748-L802 HydrophobicContact CD1-CD2 3.75Å; L748-L802 HydrophobicContact CD1-CG 4.23Å; L748-L802 HydrophobicContact CD2-CD1 3.9Å; L748-L802 HydrophobicContact CD2-CG 4.27Å
749	Y	92.5	Very high	92.5	Very high	122 Å²	122	58 Å²	58	48%	0.478	28%	0.283	S	S	.	.	H	α-helix	trans	-55.5	-41.4	-178.8	-173.1	-97.5	0	0	0	112	F744 D747 K751 F752	F744-Y749 HydrophobicContact CE1-CD2 4.03Å; F744-Y749 HydrophobicContact CZ-CD2 4.41Å; F744-Y749 WeakPolarHBondContact O-CB 3.46Å; F744-Y749 PolarHBondContact O-N 2.85Å; D747-Y749 VanDerWaalsContact C-N 3.28Å; D747-Y749 PolarHBondContact O-N 3.2Å; D747-Y749 VanDerWaalsContact O-N 3.12Å; Y749-K751 VanDerWaalsContact C-N 3.28Å; Y749-K751 PolarHBondContact O-N 3.03Å; Y749-F752 HydrophobicContact CD2-CD2 4.42Å
750	T	92.8	Very high	92.3	Very high	68 Å²	68	57.9 Å²	57.9	42%	0.417	28%	0.283	S	S	.	.	H	α-helix	trans	-72.6	-22.5	176.7	69.1	0	0	0	0	113	D747 L748 T754	D747-T750 PolarHBondContact O-N 3.43Å; D747-T750 PolarHBondContact O-OG1 2.91Å; L748-T750 PolarHBondContact O-N 3.45Å; T750-T754 WeakPolarHBondContact O-CB 3.5Å; T750-T754 VanDerWaalsContact O-CG2 3.31Å; T750-T754 WeakPolarHBondContact O-CG2 3.45Å; T750-T754 PolarHBondContact O-N 2.69Å; T750-T754 VanDerWaalsContact O-N 3.1Å; T750-T754 PolarHBondContact O-OG1 3.4Å
751	K	93.3	Very high	92	Very high	65 Å²	65	63.7 Å²	63.7	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-76.7	-25.8	179.5	-60.7	-50.1	-174.5	-167.8	0	113.4	D747 L748 Y749 D753 T754 I755 Y778	D747-K751 PolarHBondContact O-N 3.43Å; D747-K751 VanDerWaalsContact OD1-CE 3.27Å; D747-K751 WeakPolarHBondContact OD1-CE 3.36Å; L748-K751 HydrophobicContact CD1-CB 4.43Å; L748-K751 WeakPolarHBondContact O-CA 3.46Å; L748-K751 VanDerWaalsContact O-CB 3.31Å; L748-K751 WeakPolarHBondContact O-CB 3.27Å; L748-K751 PolarHBondContact O-N 3.1Å; Y749-K751 VanDerWaalsContact C-N 3.28Å; Y749-K751 PolarHBondContact O-N 3.03Å; K751-D753 PolarHBondContact O-N 3.5Å; K751-T754 WeakPolarHBondContact CA-OG1 3.47Å; K751-T754 PolarHBondContact O-N 3.33Å; K751-I755 HydrophobicContact CB-CD1 3.86Å; K751-I755 HydrophobicContact CB-CG1 4.09Å; K751-I755 HydrophobicContact CD-CG1 4.36Å; K751-I755 HydrophobicContact CG-CD1 4.39Å; K751-I755 WeakPolarHBondContact O-CB 3.49Å; K751-I755 PolarHBondContact O-N 3.47Å; K751-I755 VanDerWaalsContact O-N 3.08Å; K751-Y778 HydrophobicContact CB-CE1 4.29Å; K751-Y778 HydrophobicContact CG-CE1 3.9Å; K751-Y778 WeakPolarHBondContact CG-OH 3.48Å
752	F	90.2	Very high	91.8	Very high	50 Å²	50	60.5 Å²	60.5	22%	0.219	30%	0.295	C	S	.	.	H	α-helix	trans	-53	-38.1	172.9	-67.6	-30	0	0	0	111.8	F744 L748 Y749 P756 A798 W801	F744-F752 HydrophobicContact CE2-CE2 4.21Å; F744-F752 HydrophobicContact CE2-CZ 4.16Å; F744-F752 HydrophobicContact CZ-CE2 4.02Å; F744-F752 HydrophobicContact CZ-CZ 4.42Å; L748-F752 HydrophobicContact CD1-CD1 4.44Å; L748-F752 HydrophobicContact CD1-CE1 4Å; L748-F752 HydrophobicContact CD2-CE1 4.23Å; L748-F752 HydrophobicContact CD2-CZ 4.09Å; L748-F752 HydrophobicContact CG-CE1 3.91Å; L748-F752 HydrophobicContact CG-CZ 3.98Å; L748-F752 PolarHBondContact O-N 2.93Å; Y749-F752 HydrophobicContact CD2-CD2 4.42Å; F752-P756 WeakPolarHBondContact O-CD 3.46Å; F752-P756 VanDerWaalsContact O-CG 3.29Å; F752-P756 WeakPolarHBondContact O-CG 3.38Å; F752-A798 HydrophobicContact CZ-CB 4.34Å; F752-W801 AromaticContact CD1-CD2 3.55Å; F752-W801 HydrophobicContact CD1-CD2 3.55Å; F752-W801 AromaticContact CD1-CE2 3.57Å; F752-W801 AromaticContact CD1-CE3 3.64Å; F752-W801 HydrophobicContact CD1-CE3 3.64Å; F752-W801 HydrophobicContact CD1-CG 4.2Å; F752-W801 AromaticContact CD1-CH2 3.76Å; F752-W801 HydrophobicContact CD1-CH2 3.76Å; F752-W801 AromaticContact CD1-CZ2 3.67Å; F752-W801 HydrophobicContact CD1-CZ2 3.67Å; F752-W801 AromaticContact CD1-CZ3 3.74Å; F752-W801 HydrophobicContact CD1-CZ3 3.74Å; F752-W801 HydrophobicContact CE1-CB 4.36Å; F752-W801 AromaticContact CE1-CD2 3.49Å; F752-W801 HydrophobicContact CE1-CD2 3.49Å; F752-W801 VanDerWaalsContact CE1-CD2 3.49Å; F752-W801 AromaticContact CE1-CE3 3.4Å; F752-W801 HydrophobicContact CE1-CE3 3.4Å; F752-W801 VanDerWaalsContact CE1-CE3 3.4Å; F752-W801 AromaticContact CE1-CG 3.92Å; F752-W801 HydrophobicContact CE1-CG 3.92Å; F752-W801 HydrophobicContact CE1-CH2 4.35Å; F752-W801 HydrophobicContact CE1-CZ2 4.43Å; F752-W801 AromaticContact CE1-CZ3 3.86Å; F752-W801 HydrophobicContact CE1-CZ3 3.86Å
753	D	89.2	Confident	91.3	Very high	118 Å²	118	53.6 Å²	53.6	63%	0.631	27%	0.265	S	S	*	.	H	α-helix	trans	-93.1	-44.7	176.9	-62.8	-37.9	0	0	0	113	K751 I755 L757	K751-D753 PolarHBondContact O-N 3.5Å; D753-I755 PolarHBondContact O-N 2.96Å; D753-L757 VanDerWaalsContact O-CB 3.3Å; D753-L757 WeakPolarHBondContact O-CB 3.43Å; D753-L757 PolarHBondContact O-N 3.2Å; D753-L757 VanDerWaalsContact O-N 3.14Å
754	T	93	Very high	91	Very high	60 Å²	60	52.9 Å²	52.9	37%	0.368	26%	0.261	S	S	.	.	H	α-helix	trans	-72.8	-30.5	-169.2	55	0	0	0	0	113.9	T750 K751 T758	T750-T754 WeakPolarHBondContact O-CB 3.5Å; T750-T754 VanDerWaalsContact O-CG2 3.31Å; T750-T754 WeakPolarHBondContact O-CG2 3.45Å; T750-T754 PolarHBondContact O-N 2.69Å; T750-T754 VanDerWaalsContact O-N 3.1Å; T750-T754 PolarHBondContact O-OG1 3.4Å; K751-T754 WeakPolarHBondContact CA-OG1 3.47Å; K751-T754 PolarHBondContact O-N 3.33Å; T754-T758 WeakPolarHBondContact O-CB 3.39Å; T754-T758 PolarHBondContact O-N 3.43Å; T754-T758 VanDerWaalsContact O-N 3.11Å; T754-T758 PolarHBondContact O-OG1 3.13Å
755	I	93.4	Very high	90.6	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-59.5	176	-66.3	179.3	0	0	0	110	L587 K751 D753 L757 T758 F759 F775 Y778 W801 M805	L587-I755 HydrophobicContact CD1-CG2 4.37Å; K751-I755 HydrophobicContact CB-CD1 3.86Å; K751-I755 HydrophobicContact CB-CG1 4.09Å; K751-I755 HydrophobicContact CD-CG1 4.36Å; K751-I755 HydrophobicContact CG-CD1 4.39Å; K751-I755 WeakPolarHBondContact O-CB 3.49Å; K751-I755 PolarHBondContact O-N 3.47Å; K751-I755 VanDerWaalsContact O-N 3.08Å; D753-I755 PolarHBondContact O-N 2.96Å; I755-L757 VanDerWaalsContact C-N 3.27Å; I755-L757 PolarHBondContact O-N 3.49Å; I755-T758 WeakPolarHBondContact O-CB 3.28Å; I755-T758 PolarHBondContact O-N 3.19Å; I755-F759 HydrophobicContact CG2-CD2 4.19Å; I755-F759 HydrophobicContact CG2-CE2 4Å; I755-F759 WeakPolarHBondContact O-CD2 3.47Å; I755-F759 PolarHBondContact O-N 2.86Å; I755-F775 HydrophobicContact CD1-CD1 4.07Å; I755-F775 HydrophobicContact CG1-CD1 3.92Å; I755-F775 HydrophobicContact CG1-CE1 4.04Å; I755-F775 HydrophobicContact CG2-CD1 4.02Å; I755-F775 HydrophobicContact CG2-CE1 4.3Å; I755-Y778 HydrophobicContact CD1-CD1 4.16Å; I755-Y778 HydrophobicContact CD1-CE1 4.23Å; I755-W801 HydrophobicContact CD1-CH2 4.44Å; I755-M805 HydrophobicContact CG2-CE 4.47Å; I755-M805 HydrophobicContact CG2-SD 4.2Å
756	P	90.2	Very high	90.4	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-52.9	-43.2	177.3	-28.7	36.5	0	0	0	113.3	F752 T758 F759 Q760	F752-P756 WeakPolarHBondContact O-CD 3.46Å; F752-P756 VanDerWaalsContact O-CG 3.29Å; F752-P756 WeakPolarHBondContact O-CG 3.38Å; P756-T758 VanDerWaalsContact C-N 3.26Å; P756-T758 PolarHBondContact O-N 2.67Å; P756-F759 PolarHBondContact O-N 3.44Å; P756-F759 VanDerWaalsContact O-N 3.17Å; P756-Q760 WeakPolarHBondContact O-CG 3.2Å; P756-Q760 PolarHBondContact O-N 2.84Å
757	L	89.8	Confident	90.2	Very high	74 Å²	74	52.7 Å²	52.7	39%	0.387	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-33.4	178.2	-173.1	64.5	0	0	0	113.1	D753 I755 K761	D753-L757 VanDerWaalsContact O-CB 3.3Å; D753-L757 WeakPolarHBondContact O-CB 3.43Å; D753-L757 PolarHBondContact O-N 3.2Å; D753-L757 VanDerWaalsContact O-N 3.14Å; I755-L757 VanDerWaalsContact C-N 3.27Å; I755-L757 PolarHBondContact O-N 3.49Å; L757-K761 HydrophobicContact CD1-CD 4.45Å; L757-K761 HydrophobicContact CG-CD 4.33Å; L757-K761 WeakPolarHBondContact O-CG 3.22Å; L757-K761 PolarHBondContact O-N 3.14Å
758	T	93.4	Very high	90.1	Very high	54 Å²	54	54.3 Å²	54.3	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-67.8	-41.5	177.6	-58.6	0	0	0	0	111.1	T754 I755 P756 K761 T762 F771 F775	T754-T758 WeakPolarHBondContact O-CB 3.39Å; T754-T758 PolarHBondContact O-N 3.43Å; T754-T758 VanDerWaalsContact O-N 3.11Å; T754-T758 PolarHBondContact O-OG1 3.13Å; I755-T758 WeakPolarHBondContact O-CB 3.28Å; I755-T758 PolarHBondContact O-N 3.19Å; P756-T758 VanDerWaalsContact C-N 3.26Å; P756-T758 PolarHBondContact O-N 2.67Å; T758-K761 PolarHBondContact O-N 3.38Å; T758-T762 WeakPolarHBondContact O-CB 3.26Å; T758-T762 PolarHBondContact O-N 3.24Å; T758-T762 PolarHBondContact O-OG1 3.35Å; T758-F771 HydrophobicContact CG2-CE2 4.08Å; T758-F771 HydrophobicContact CG2-CZ 4.11Å; T758-F775 HydrophobicContact CG2-CZ 3.96Å
759	F	91.4	Very high	89.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-37.7	176.5	-79.2	-100.4	0	0	0	112.1	G584 I585 L587 I755 P756 K761 T762 M767 F771 L772 F775 L809 L812	G584-F759 WeakPolarHBondContact CA-O 3.47Å; I585-F759 PolarHBondContact N-O 3.1Å; I585-F759 CarbonylContact O-C 3.56Å; I585-F759 WeakPolarHBondContact O-CB 3.18Å; L587-F759 HydrophobicContact CD1-CB 4.26Å; L587-F759 HydrophobicContact CD1-CD1 4.29Å; L587-F759 HydrophobicContact CD1-CD2 3.67Å; L587-F759 HydrophobicContact CD1-CE2 4.03Å; L587-F759 HydrophobicContact CD1-CG 3.81Å; L587-F759 HydrophobicContact CD1-CZ 4.48Å; L587-F759 HydrophobicContact CD2-CD1 4.09Å; L587-F759 HydrophobicContact CD2-CG 4.27Å; L587-F759 HydrophobicContact CG-CB 4.1Å; L587-F759 HydrophobicContact CG-CD1 4.39Å; L587-F759 HydrophobicContact CG-CD2 4.4Å; L587-F759 HydrophobicContact CG-CG 4.06Å; I755-F759 HydrophobicContact CG2-CD2 4.19Å; I755-F759 HydrophobicContact CG2-CE2 4Å; I755-F759 WeakPolarHBondContact O-CD2 3.47Å; I755-F759 PolarHBondContact O-N 2.86Å; P756-F759 PolarHBondContact O-N 3.44Å; P756-F759 VanDerWaalsContact O-N 3.17Å; F759-K761 PolarHBondContact O-N 3.38Å; F759-T762 PolarHBondContact O-N 3.45Å; F759-M767 HydrophobicContact CB-CE 4.48Å; F759-M767 HydrophobicContact CD1-CE 3.94Å; F759-M767 HydrophobicContact CD1-SD 3.99Å; F759-M767 HydrophobicContact CE1-SD 4.34Å; F759-F771 HydrophobicContact CD1-CE1 4.03Å; F759-F771 HydrophobicContact CE1-CD1 4.49Å; F759-F771 AromaticContact CE1-CE1 3.61Å; F759-F771 HydrophobicContact CE1-CE1 3.61Å; F759-F771 HydrophobicContact CE1-CZ 4.42Å; F759-F771 HydrophobicContact CE2-CE1 4.17Å; F759-F771 HydrophobicContact CE2-CZ 4.38Å; F759-F771 HydrophobicContact CG-CE1 4.49Å; F759-F771 AromaticContact CZ-CE1 3.68Å; F759-F771 HydrophobicContact CZ-CE1 3.68Å; F759-F771 HydrophobicContact CZ-CZ 4.33Å; F759-L772 HydrophobicContact CE1-CD2 3.7Å; F759-L772 HydrophobicContact CZ-CD2 3.96Å; F759-F775 HydrophobicContact CE2-CD1 4.4Å; F759-F775 AromaticContact CE2-CD2 3.77Å; F759-F775 HydrophobicContact CE2-CD2 3.77Å; F759-F775 HydrophobicContact CE2-CE1 4.43Å; F759-F775 AromaticContact CE2-CE2 3.81Å; F759-F775 HydrophobicContact CE2-CE2 3.81Å; F759-F775 HydrophobicContact CE2-CG 4.07Å; F759-F775 HydrophobicContact CE2-CZ 4.15Å; F759-F775 AromaticContact CZ-CD2 3.85Å; F759-F775 HydrophobicContact CZ-CD2 3.85Å; F759-F775 HydrophobicContact CZ-CE2 4.13Å; F759-F775 HydrophobicContact CZ-CG 4.39Å; F759-L809 HydrophobicContact CE1-CD2 4.25Å; F759-L809 HydrophobicContact CE2-CD2 4.1Å; F759-L809 HydrophobicContact CZ-CD2 3.45Å; F759-L809 VanDerWaalsContact CZ-CD2 3.45Å; F759-L812 HydrophobicContact CD1-CD1 4.17Å; F759-L812 HydrophobicContact CE1-CD1 3.73Å
760	Q	87.5	Confident	89.9	Confident	70 Å²	70	60 Å²	60	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-20	175.5	-71.2	176.4	8.3	0	0	113.6	G584 I585 D586 P756	G584-Q760 WeakPolarHBondContact CA-O 3.18Å; I585-Q760 WeakPolarHBondContact O-CA 3.38Å; I585-Q760 WeakPolarHBondContact O-CG 3.35Å; I585-Q760 PolarHBondContact O-N 3.31Å; I585-Q760 VanDerWaalsContact O-N 3.1Å; D586-Q760 HydrophobicContact CB-CG 4.14Å; D586-Q760 PolarHBondContact OD1-NE2 3.18Å; P756-Q760 WeakPolarHBondContact O-CG 3.2Å; P756-Q760 PolarHBondContact O-N 2.84Å
761	K	87	Confident	90	Very high	131 Å²	131	58.8 Å²	58.8	57%	0.57	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	1.5	179.2	-67	177.2	-179.8	177.9	0	113.5	L757 T758 F759	L757-K761 HydrophobicContact CD1-CD 4.45Å; L757-K761 HydrophobicContact CG-CD 4.33Å; L757-K761 WeakPolarHBondContact O-CG 3.22Å; L757-K761 PolarHBondContact O-N 3.14Å; T758-K761 PolarHBondContact O-N 3.38Å; F759-K761 PolarHBondContact O-N 3.38Å
762	T	88	Confident	90.1	Very high	22 Å²	22	55.7 Å²	55.7	14%	0.135	27%	0.274	C	S	.	.	S	Bend	trans	-110.6	123.3	-175.8	-58.9	0	0	0	0	110.3	G584 T758 F759 K766 M767 F771	G584-T762 WeakPolarHBondContact CA-O 3.24Å; T758-T762 WeakPolarHBondContact O-CB 3.26Å; T758-T762 PolarHBondContact O-N 3.24Å; T758-T762 PolarHBondContact O-OG1 3.35Å; F759-T762 PolarHBondContact O-N 3.45Å; T762-K766 HydrophobicContact CG2-CB 3.91Å; T762-M767 HydrophobicContact CG2-CE 4.44Å; T762-M767 HydrophobicContact CG2-CG 3.99Å; T762-M767 WeakPolarHBondContact O-CE 3.37Å; T762-F771 HydrophobicContact CG2-CD2 4.46Å; T762-F771 HydrophobicContact CG2-CE1 4.34Å; T762-F771 HydrophobicContact CG2-CE2 3.96Å; T762-F771 HydrophobicContact CG2-CZ 3.89Å
763	S	86.1	Confident	90.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.			trans	-53.1	135.6	172.5	168	0	0	0	0	111.5	D212 I215 P583 K765 K766 M767	D212-S763 PolarHBondContact OD1-OG 3.06Å; I215-S763 VanDerWaalsContact CD1-OG 3.23Å; I215-S763 WeakPolarHBondContact CD1-OG 3.44Å; P583-S763 VanDerWaalsContact O-CA 3.25Å; P583-S763 WeakPolarHBondContact O-CA 3.47Å; S763-K765 PolarHBondContact O-N 3.35Å; S763-K765 VanDerWaalsContact O-N 3.12Å; S763-K765 PolarHBondContact OG-N 2.96Å; S763-K766 WeakPolarHBondContact O-CA 3.49Å; S763-K766 WeakPolarHBondContact O-CB 2.96Å; S763-K766 PolarHBondContact O-N 2.88Å; S763-M767 PolarHBondContact O-N 3.48Å
764	P	87.1	Confident	90.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.013	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-43.8	-40.8	168.3	-34.2	35.8	0	0	0	114	F218 P583 K766 M767 W817 Y819	F218-P764 HydrophobicContact CD1-CB 3.65Å; F218-P764 HydrophobicContact CE1-CB 3.83Å; F218-P764 HydrophobicContact CG-CB 4.16Å; F218-P764 HydrophobicContact CZ-CB 4.48Å; P583-P764 WeakPolarHBondContact O-CD 3.17Å; P764-K766 PolarHBondContact O-N 3.46Å; P764-M767 PolarHBondContact O-N 2.89Å; P764-W817 HydrophobicContact CB-CH2 3.78Å; P764-W817 HydrophobicContact CB-CZ3 4.06Å; P764-Y819 HydrophobicContact CG-CD1 4.1Å; P764-Y819 HydrophobicContact CG-CD2 3.58Å; P764-Y819 HydrophobicContact CG-CE1 4.39Å; P764-Y819 HydrophobicContact CG-CE2 3.95Å; P764-Y819 HydrophobicContact CG-CG 3.69Å
765	K	84.6	Confident	90.9	Very high	99 Å²	99	56.1 Å²	56.1	43%	0.43	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25	178.2	-69.5	175	-178	174.2	0	113.4	I215 F218 S763	I215-K765 HydrophobicContact CD1-CD 3.87Å; I215-K765 HydrophobicContact CD1-CG 3.86Å; I215-K765 HydrophobicContact CG1-CD 4.35Å; F218-K765 HydrophobicContact CD2-CG 4.06Å; F218-K765 HydrophobicContact CE2-CG 4.04Å; S763-K765 PolarHBondContact O-N 3.35Å; S763-K765 VanDerWaalsContact O-N 3.12Å; S763-K765 PolarHBondContact OG-N 2.96Å
766	K	88.5	Confident	91	Very high	115 Å²	115	56.5 Å²	56.5	50%	0.5	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-91.2	-8.1	-179.7	-74.7	176.1	164.6	145.6	0	113.5	D212 T762 S763 P764 T768	D212-K766 WeakPolarHBondContact OD2-CD 3.43Å; D212-K766 WeakPolarHBondContact OD2-CE 3.49Å; D212-K766 IonicContact OD2-NZ 2.68Å; D212-K766 PolarHBondContact OD2-NZ 3.3Å; T762-K766 HydrophobicContact CG2-CB 3.91Å; S763-K766 WeakPolarHBondContact O-CA 3.49Å; S763-K766 WeakPolarHBondContact O-CB 2.96Å; S763-K766 PolarHBondContact O-N 2.88Å; P764-K766 PolarHBondContact O-N 3.46Å; K766-T768 PolarHBondContact O-N 3.31Å
767	M	88.8	Confident	91.4	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.034	30%	0.295	C	S	.	.			trans	-76.1	59.9	177.2	-60.7	-168	-175.2	0	0	111.9	I585 F759 T762 S763 P764 F771 W817	I585-M767 HydrophobicContact CB-CE 3.97Å; I585-M767 HydrophobicContact CD1-CE 3.81Å; I585-M767 HydrophobicContact CD1-SD 3.77Å; I585-M767 HydrophobicContact CG1-CE 3.96Å; F759-M767 HydrophobicContact CB-CE 4.48Å; F759-M767 HydrophobicContact CD1-CE 3.94Å; F759-M767 HydrophobicContact CD1-SD 3.99Å; F759-M767 HydrophobicContact CE1-SD 4.34Å; T762-M767 HydrophobicContact CG2-CE 4.44Å; T762-M767 HydrophobicContact CG2-CG 3.99Å; T762-M767 WeakPolarHBondContact O-CE 3.37Å; S763-M767 PolarHBondContact O-N 3.48Å; P764-M767 PolarHBondContact O-N 2.89Å; M767-F771 HydrophobicContact CB-CD1 4.27Å; M767-F771 HydrophobicContact CG-CD1 4.29Å; M767-F771 HydrophobicContact CG-CE1 4.15Å; M767-W817 HydrophobicContact SD-CH2 4.44Å
768	T	90.4	Very high	91.7	Very high	76 Å²	76	58.7 Å²	58.7	47%	0.466	28%	0.283	S	S	.	.			trans	-69	164.7	178.1	64.3	0	0	0	0	111.5	K766 K770 F771 L772	K766-T768 PolarHBondContact O-N 3.31Å; T768-K770 PolarHBondContact O-N 3.33Å; T768-F771 WeakPolarHBondContact O-CA 3.33Å; T768-F771 WeakPolarHBondContact O-CB 3.15Å; T768-F771 PolarHBondContact O-N 2.98Å; T768-F771 PolarHBondContact OG1-N 3.12Å; T768-L772 PolarHBondContact O-N 3.45Å
769	N	90	Very high	91.9	Very high	58 Å²	58	56.1 Å²	56.1	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-54.7	-37.5	172.2	-83.1	2.3	0	0	0	112.6	K223 F771 L772 N773	K223-N769 PolarHBondContact NZ-ND2 2.69Å; K223-N769 PolarHBondContact NZ-OD1 3.49Å; N769-F771 VanDerWaalsContact C-N 3.31Å; N769-F771 PolarHBondContact O-N 3.23Å; N769-L772 PolarHBondContact O-N 2.93Å; N769-N773 WeakPolarHBondContact O-CB 3.36Å; N769-N773 PolarHBondContact O-N 2.97Å; N769-N773 PolarHBondContact O-ND2 3.14Å
770	K	92.8	Very high	92.2	Very high	182 Å²	182	59.5 Å²	59.5	79%	0.791	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-40.6	177.3	-174.9	179	179.2	-179.6	0	111.3	T768	T768-K770 PolarHBondContact O-N 3.33Å
771	F	95	Very high	92.6	Very high	43 Å²	43	60.1 Å²	60.1	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-51.4	175.7	173.6	-93.4	0	0	0	111.2	T758 F759 T762 M767 T768 N769 K774 F775	T758-F771 HydrophobicContact CG2-CE2 4.08Å; T758-F771 HydrophobicContact CG2-CZ 4.11Å; F759-F771 HydrophobicContact CD1-CE1 4.03Å; F759-F771 HydrophobicContact CE1-CD1 4.49Å; F759-F771 AromaticContact CE1-CE1 3.61Å; F759-F771 HydrophobicContact CE1-CE1 3.61Å; F759-F771 HydrophobicContact CE1-CZ 4.42Å; F759-F771 HydrophobicContact CE2-CE1 4.17Å; F759-F771 HydrophobicContact CE2-CZ 4.38Å; F759-F771 HydrophobicContact CG-CE1 4.49Å; F759-F771 AromaticContact CZ-CE1 3.68Å; F759-F771 HydrophobicContact CZ-CE1 3.68Å; F759-F771 HydrophobicContact CZ-CZ 4.33Å; T762-F771 HydrophobicContact CG2-CD2 4.46Å; T762-F771 HydrophobicContact CG2-CE1 4.34Å; T762-F771 HydrophobicContact CG2-CE2 3.96Å; T762-F771 HydrophobicContact CG2-CZ 3.89Å; M767-F771 HydrophobicContact CB-CD1 4.27Å; M767-F771 HydrophobicContact CG-CD1 4.29Å; M767-F771 HydrophobicContact CG-CE1 4.15Å; T768-F771 WeakPolarHBondContact O-CA 3.33Å; T768-F771 WeakPolarHBondContact O-CB 3.15Å; T768-F771 PolarHBondContact O-N 2.98Å; T768-F771 PolarHBondContact OG1-N 3.12Å; N769-F771 VanDerWaalsContact C-N 3.31Å; N769-F771 PolarHBondContact O-N 3.23Å; F771-K774 WeakPolarHBondContact O-CB 3.36Å; F771-K774 PolarHBondContact O-N 3.16Å; F771-F775 HydrophobicContact CD1-CE2 4.32Å; F771-F775 HydrophobicContact CD2-CE2 4.31Å; F771-F775 HydrophobicContact CE1-CD2 4.5Å; F771-F775 AromaticContact CE1-CE2 3.93Å; F771-F775 HydrophobicContact CE1-CE2 3.93Å; F771-F775 AromaticContact CE2-CE2 3.91Å; F771-F775 HydrophobicContact CE2-CE2 3.91Å; F771-F775 HydrophobicContact CE2-CZ 4.42Å; F771-F775 AromaticContact CZ-CE2 3.7Å; F771-F775 HydrophobicContact CZ-CE2 3.7Å; F771-F775 HydrophobicContact CZ-CZ 4.3Å; F771-F775 VanDerWaalsContact O-CD2 3.3Å; F771-F775 WeakPolarHBondContact O-CD2 3.29Å
772	L	95.2	Very high	93.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-42.4	-178.4	-64.1	172.1	0	0	0	112.5	F759 T768 N769 K774 F775 I776 L812 Q813	F759-L772 HydrophobicContact CE1-CD2 3.7Å; F759-L772 HydrophobicContact CZ-CD2 3.96Å; T768-L772 PolarHBondContact O-N 3.45Å; N769-L772 PolarHBondContact O-N 2.93Å; L772-K774 PolarHBondContact O-N 3.11Å; L772-K774 VanDerWaalsContact O-N 3.14Å; L772-F775 PolarHBondContact O-N 3.19Å; L772-I776 HydrophobicContact CB-CD1 4.36Å; L772-I776 PolarHBondContact O-N 3.2Å; L772-L812 HydrophobicContact CD1-CB 4.18Å; L772-L812 HydrophobicContact CD2-CB 4.02Å; L772-L812 HydrophobicContact CD2-CD1 4.32Å; L772-Q813 HydrophobicContact CD1-CB 3.91Å
773	N	95.8	Very high	93.5	Very high	69 Å²	69	53 Å²	53	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-32.1	-178.3	-81.6	-17.3	0	0	0	113.3	N769 F775 I776 V777 Q813	N769-N773 WeakPolarHBondContact O-CB 3.36Å; N769-N773 PolarHBondContact O-N 2.97Å; N769-N773 PolarHBondContact O-ND2 3.14Å; N773-F775 VanDerWaalsContact C-N 3.27Å; N773-F775 PolarHBondContact O-N 2.9Å; N773-I776 PolarHBondContact O-N 3.42Å; N773-V777 WeakPolarHBondContact O-CB 3.41Å; N773-V777 VanDerWaalsContact O-CG2 3.25Å; N773-V777 WeakPolarHBondContact O-CG2 3.46Å; N773-V777 PolarHBondContact O-N 3.44Å; N773-Q813 PolarHBondContact OD1-NE2 3.41Å
774	K	96.4	Very high	94	Very high	153 Å²	153	54.1 Å²	54.1	67%	0.665	26%	0.258	S	S	*	.	H	α-helix	trans	-56.2	-44.5	175.2	-179.5	-175.6	173.3	-176.1	0	111.4	F771 L772 Y778	F771-K774 WeakPolarHBondContact O-CB 3.36Å; F771-K774 PolarHBondContact O-N 3.16Å; L772-K774 PolarHBondContact O-N 3.11Å; L772-K774 VanDerWaalsContact O-N 3.14Å; K774-Y778 PolarHBondContact O-N 2.9Å
775	F	96.8	Very high	94.2	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	27%	0.273	C	S	.	.	H	α-helix	trans	-81.2	-35.8	-177.9	-57.1	-78.1	0	0	0	111.9	I755 T758 F759 F771 L772 N773 Y778 T779 L809	I755-F775 HydrophobicContact CD1-CD1 4.07Å; I755-F775 HydrophobicContact CG1-CD1 3.92Å; I755-F775 HydrophobicContact CG1-CE1 4.04Å; I755-F775 HydrophobicContact CG2-CD1 4.02Å; I755-F775 HydrophobicContact CG2-CE1 4.3Å; T758-F775 HydrophobicContact CG2-CZ 3.96Å; F759-F775 HydrophobicContact CE2-CD1 4.4Å; F759-F775 AromaticContact CE2-CD2 3.77Å; F759-F775 HydrophobicContact CE2-CD2 3.77Å; F759-F775 HydrophobicContact CE2-CE1 4.43Å; F759-F775 AromaticContact CE2-CE2 3.81Å; F759-F775 HydrophobicContact CE2-CE2 3.81Å; F759-F775 HydrophobicContact CE2-CG 4.07Å; F759-F775 HydrophobicContact CE2-CZ 4.15Å; F759-F775 AromaticContact CZ-CD2 3.85Å; F759-F775 HydrophobicContact CZ-CD2 3.85Å; F759-F775 HydrophobicContact CZ-CE2 4.13Å; F759-F775 HydrophobicContact CZ-CG 4.39Å; F771-F775 HydrophobicContact CD1-CE2 4.32Å; F771-F775 HydrophobicContact CD2-CE2 4.31Å; F771-F775 HydrophobicContact CE1-CD2 4.5Å; F771-F775 AromaticContact CE1-CE2 3.93Å; F771-F775 HydrophobicContact CE1-CE2 3.93Å; F771-F775 AromaticContact CE2-CE2 3.91Å; F771-F775 HydrophobicContact CE2-CE2 3.91Å; F771-F775 HydrophobicContact CE2-CZ 4.42Å; F771-F775 AromaticContact CZ-CE2 3.7Å; F771-F775 HydrophobicContact CZ-CE2 3.7Å; F771-F775 HydrophobicContact CZ-CZ 4.3Å; F771-F775 VanDerWaalsContact O-CD2 3.3Å; F771-F775 WeakPolarHBondContact O-CD2 3.29Å; L772-F775 PolarHBondContact O-N 3.19Å; N773-F775 VanDerWaalsContact C-N 3.27Å; N773-F775 PolarHBondContact O-N 2.9Å; F775-Y778 PolarHBondContact O-N 3.46Å; F775-T779 WeakPolarHBondContact O-CB 3.42Å; F775-T779 PolarHBondContact O-N 3.49Å; F775-T779 PolarHBondContact O-OG1 3.19Å; F775-L809 HydrophobicContact CB-CD1 3.66Å; F775-L809 HydrophobicContact CB-CD2 3.85Å; F775-L809 HydrophobicContact CB-CG 4.43Å
776	I	97.2	Very high	94.6	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-48.9	175.6	-67.1	170.3	0	0	0	110.2	L772 N773 Y778 T779 K780 L806 L809 Q813	L772-I776 HydrophobicContact CB-CD1 4.36Å; L772-I776 PolarHBondContact O-N 3.2Å; N773-I776 PolarHBondContact O-N 3.42Å; I776-Y778 PolarHBondContact O-N 2.9Å; I776-T779 PolarHBondContact O-N 2.86Å; I776-K780 HydrophobicContact CG2-CD 3.77Å; I776-K780 HydrophobicContact CG2-CG 4.35Å; I776-K780 WeakPolarHBondContact O-CB 3.48Å; I776-K780 VanDerWaalsContact O-CG 3.26Å; I776-K780 WeakPolarHBondContact O-CG 3.24Å; I776-K780 PolarHBondContact O-N 3.43Å; I776-L806 HydrophobicContact CG2-CD1 4.14Å; I776-L809 HydrophobicContact CD1-CB 4.29Å; I776-L809 HydrophobicContact CG1-CB 3.61Å; I776-L809 HydrophobicContact CG1-CD1 4.26Å; I776-L809 HydrophobicContact CG1-CG 4.48Å; I776-Q813 HydrophobicContact CD1-CB 4.26Å
777	V	97.4	Very high	94.9	Very high	91 Å²	91	53.9 Å²	53.9	55%	0.552	26%	0.264	S	S	*	.	H	α-helix	trans	-59.8	-46.3	178.6	170.5	0	0	0	0	111.1	N773 T779 K780 Q781	N773-V777 WeakPolarHBondContact O-CB 3.41Å; N773-V777 VanDerWaalsContact O-CG2 3.25Å; N773-V777 WeakPolarHBondContact O-CG2 3.46Å; N773-V777 PolarHBondContact O-N 3.44Å; V777-T779 PolarHBondContact O-N 2.78Å; V777-K780 PolarHBondContact O-N 2.9Å; V777-Q781 WeakPolarHBondContact O-CB 3.27Å; V777-Q781 PolarHBondContact O-N 2.89Å
778	Y	97.3	Very high	95.1	Very high	33 Å²	33	53.6 Å²	53.6	13%	0.129	26%	0.262	C	S	.	.	H	α-helix	trans	-57.2	-48.2	176.6	173.6	-99.4	0	0	0	112.4	D747 L748 K751 I755 K774 F775 I776 Q781 M782	D747-Y778 PolarHBondContact OD1-OH 3.39Å; D747-Y778 WeakPolarHBondContact OD2-CE2 3.25Å; D747-Y778 PolarHBondContact OD2-OH 3.07Å; L748-Y778 WeakPolarHBondContact CA-OH 3.27Å; L748-Y778 HydrophobicContact CD1-CE1 4.44Å; K751-Y778 HydrophobicContact CB-CE1 4.29Å; K751-Y778 HydrophobicContact CG-CE1 3.9Å; K751-Y778 WeakPolarHBondContact CG-OH 3.48Å; I755-Y778 HydrophobicContact CD1-CD1 4.16Å; I755-Y778 HydrophobicContact CD1-CE1 4.23Å; K774-Y778 PolarHBondContact O-N 2.9Å; F775-Y778 PolarHBondContact O-N 3.46Å; I776-Y778 PolarHBondContact O-N 2.9Å; Y778-Q781 WeakPolarHBondContact O-CB 3.34Å; Y778-Q781 PolarHBondContact O-N 3.11Å; Y778-M782 HydrophobicContact CE1-CG 4Å; Y778-M782 HydrophobicContact CE2-CE 4.09Å; Y778-M782 HydrophobicContact CE2-CG 4Å; Y778-M782 HydrophobicContact CE2-SD 4.49Å; Y778-M782 PolarHBondContact O-N 2.95Å
779	T	97	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-42.2	-176.2	-49.2	0	0	0	0	111.1	F775 I776 V777 Q781 M782 L783 L802 M805 L806	F775-T779 WeakPolarHBondContact O-CB 3.42Å; F775-T779 PolarHBondContact O-N 3.49Å; F775-T779 PolarHBondContact O-OG1 3.19Å; I776-T779 PolarHBondContact O-N 2.86Å; V777-T779 PolarHBondContact O-N 2.78Å; T779-Q781 VanDerWaalsContact C-N 3.33Å; T779-Q781 PolarHBondContact O-N 3.04Å; T779-M782 PolarHBondContact O-N 2.73Å; T779-L783 HydrophobicContact CG2-CD1 4.06Å; T779-L783 WeakPolarHBondContact O-CB 3.27Å; T779-L783 WeakPolarHBondContact O-CG 3.43Å; T779-L783 PolarHBondContact O-N 3.41Å; T779-L783 VanDerWaalsContact O-N 3.11Å; T779-L802 HydrophobicContact CG2-CB 4.3Å; T779-L802 HydrophobicContact CG2-CD2 3.89Å; T779-L802 WeakPolarHBondContact CG2-O 3.48Å; T779-M805 HydrophobicContact CG2-CB 4.41Å; T779-L806 HydrophobicContact CG2-CB 3.77Å
780	K	97.7	Very high	95.2	Very high	71 Å²	71	52.1 Å²	52.1	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-58.1	-44.9	173.7	-72.4	173.4	58.5	148.3	0	112	P290 G291 I776 V777 L783 D784 L806	P290-K780 WeakPolarHBondContact O-CE 2.95Å; G291-K780 PolarHBondContact O-NZ 3.33Å; I776-K780 HydrophobicContact CG2-CD 3.77Å; I776-K780 HydrophobicContact CG2-CG 4.35Å; I776-K780 WeakPolarHBondContact O-CB 3.48Å; I776-K780 VanDerWaalsContact O-CG 3.26Å; I776-K780 WeakPolarHBondContact O-CG 3.24Å; I776-K780 PolarHBondContact O-N 3.43Å; V777-K780 PolarHBondContact O-N 2.9Å; K780-L783 PolarHBondContact O-N 3.31Å; K780-D784 PolarHBondContact O-N 2.77Å; K780-D784 VanDerWaalsContact O-N 3.17Å; K780-L806 HydrophobicContact CG-CD1 3.93Å; K780-L806 HydrophobicContact CG-CD2 4.31Å
781	Q	96.5	Very high	95.2	Very high	83 Å²	83	43.4 Å²	43.4	39%	0.388	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-47.9	177.8	-177.2	179.9	3.4	0	0	111.2	V777 Y778 T779 L783 D784 H787	V777-Q781 WeakPolarHBondContact O-CB 3.27Å; V777-Q781 PolarHBondContact O-N 2.89Å; Y778-Q781 WeakPolarHBondContact O-CB 3.34Å; Y778-Q781 PolarHBondContact O-N 3.11Å; T779-Q781 VanDerWaalsContact C-N 3.33Å; T779-Q781 PolarHBondContact O-N 3.04Å; Q781-L783 PolarHBondContact O-N 2.65Å; Q781-D784 PolarHBondContact O-N 2.69Å; Q781-D784 VanDerWaalsContact O-N 3.1Å; Q781-D784 VanDerWaalsContact O-OD2 3.09Å; Q781-H787 WeakPolarHBondContact CG-CE1 3.4Å; Q781-H787 WeakPolarHBondContact CG-NE2 3.36Å; Q781-H787 PolarHBondContact NE2-CE1 3.44Å; Q781-H787 PolarHBondContact NE2-NE2 3.21Å; Q781-H787 VanDerWaalsContact O-CB 3.27Å; Q781-H787 WeakPolarHBondContact O-CB 3.06Å; Q781-H787 VanDerWaalsContact O-CG 3.22Å; Q781-H787 PolarHBondContact O-ND1 3.19Å; Q781-H787 VanDerWaalsContact O-ND1 3.11Å
782	M	96.6	Very high	95.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-30.9	178.5	-72.1	-62.3	119.5	0	0	113.2	L743 Y778 T779 L788 L802	L743-M782 HydrophobicContact CD2-CE 4.32Å; Y778-M782 HydrophobicContact CE1-CG 4Å; Y778-M782 HydrophobicContact CE2-CE 4.09Å; Y778-M782 HydrophobicContact CE2-CG 4Å; Y778-M782 HydrophobicContact CE2-SD 4.49Å; Y778-M782 PolarHBondContact O-N 2.95Å; T779-M782 PolarHBondContact O-N 2.73Å; M782-L788 HydrophobicContact CB-CD1 4.48Å; M782-L788 WeakPolarHBondContact O-CB 3.35Å; M782-L788 PolarHBondContact O-N 3.5Å; M782-L788 VanDerWaalsContact O-N 3.09Å; M782-L788 HydrophobicContact SD-CD1 4.2Å; M782-L788 HydrophobicContact SD-CG 4.48Å; M782-L802 HydrophobicContact CB-CD1 3.75Å; M782-L802 HydrophobicContact CB-CD2 3.93Å; M782-L802 HydrophobicContact CG-CD2 4.49Å
783	L	97.2	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.1	178.2	-73.6	165.9	0	0	0	114.4	P290 P631 T779 K780 Q781 Y789 L799 L802 Q803 L806	P290-L783 HydrophobicContact CB-CB 3.87Å; P290-L783 HydrophobicContact CG-CB 3.82Å; P290-L783 WeakPolarHBondContact CG-O 3.34Å; P631-L783 VanDerWaalsContact CD-O 3.31Å; P631-L783 WeakPolarHBondContact CD-O 3.18Å; P631-L783 WeakPolarHBondContact CG-O 3.36Å; T779-L783 HydrophobicContact CG2-CD1 4.06Å; T779-L783 WeakPolarHBondContact O-CB 3.27Å; T779-L783 WeakPolarHBondContact O-CG 3.43Å; T779-L783 PolarHBondContact O-N 3.41Å; T779-L783 VanDerWaalsContact O-N 3.11Å; K780-L783 PolarHBondContact O-N 3.31Å; Q781-L783 PolarHBondContact O-N 2.65Å; L783-Y789 VanDerWaalsContact O-CB 3.31Å; L783-Y789 WeakPolarHBondContact O-CB 3.37Å; L783-L799 HydrophobicContact CD2-CD2 4.32Å; L783-L802 HydrophobicContact CD1-CB 4.09Å; L783-L802 HydrophobicContact CD2-CB 3.68Å; L783-L802 HydrophobicContact CD2-CD1 4.28Å; L783-L802 HydrophobicContact CG-CB 3.82Å; L783-L802 HydrophobicContact CG-CD1 4.37Å; L783-Q803 HydrophobicContact CD1-CG 4.38Å; L783-Q803 HydrophobicContact CD2-CG 3.83Å; L783-L806 HydrophobicContact CD1-CB 4.33Å; L783-L806 HydrophobicContact CD1-CD2 3.94Å
784	D	95.5	Very high	94.5	Very high	23 Å²	23	41 Å²	41	12%	0.123	20%	0.198	C	C	.	.	S	Bend	trans	-77.6	172.9	-177.1	76.5	26.3	0	0	0	112.9	K780 Q781 E786 H787 Y789	K780-D784 PolarHBondContact O-N 2.77Å; K780-D784 VanDerWaalsContact O-N 3.17Å; Q781-D784 PolarHBondContact O-N 2.69Å; Q781-D784 VanDerWaalsContact O-N 3.1Å; Q781-D784 VanDerWaalsContact O-OD2 3.09Å; D784-E786 PolarHBondContact O-N 3.23Å; D784-E786 VanDerWaalsContact OD1-CA 3.26Å; D784-E786 WeakPolarHBondContact OD1-CA 2.99Å; D784-E786 WeakPolarHBondContact OD1-CB 3.2Å; D784-E786 PolarHBondContact OD1-N 3.01Å; D784-H787 PolarHBondContact O-N 2.67Å; D784-H787 IonicContact OD1-CE1 2.61Å; D784-H787 IonicContact OD1-CG 2.73Å; D784-H787 PolarHBondContact OD1-N 2.73Å; D784-H787 IonicContact OD1-ND1 3.05Å; D784-H787 PolarHBondContact OD1-ND1 3.3Å; D784-H787 IonicContact OD2-CE1 3.72Å; D784-H787 IonicContact OD2-ND1 3.45Å; D784-H787 PolarHBondContact OD2-ND1 3.34Å; D784-Y789 VanDerWaalsContact O-CB 3.23Å; D784-Y789 WeakPolarHBondContact O-CB 3.45Å
785	T	92.5	Very high	94.2	Very high	54 Å²	54	35.7 Å²	35.7	33%	0.331	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.1	178.6	49.5	0	0	0	0	114.2	P631 N790	P631-T785 HydrophobicContact CB-CG2 3.78Å; P631-T785 HydrophobicContact CG-CG2 3.77Å; T785-N790 WeakPolarHBondContact CB-ND2 3.5Å; T785-N790 WeakPolarHBondContact O-CB 3.48Å; T785-N790 VanDerWaalsContact O-CG 3.29Å; T785-N790 PolarHBondContact O-ND2 2.64Å
786	E	91.7	Very high	93.9	Very high	132 Å²	132	35 Å²	35	62%	0.617	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16.8	177.8	-61.6	-170.7	175	0	0	112.6	K739 D784	K739-E786 WeakPolarHBondContact CE-O 3.4Å; K739-E786 PolarHBondContact NZ-O 3.5Å; D784-E786 PolarHBondContact O-N 3.23Å; D784-E786 VanDerWaalsContact OD1-CA 3.26Å; D784-E786 WeakPolarHBondContact OD1-CA 2.99Å; D784-E786 WeakPolarHBondContact OD1-CB 3.2Å; D784-E786 PolarHBondContact OD1-N 3.01Å
787	H	94.5	Very high	93.3	Very high	26 Å²	26	37.9 Å²	37.9	12%	0.12	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-122.1	-176.6	-61.3	76.8	0	0	0	111.7	L743 Q781 D784 I791	L743-H787 HydrophobicContact CD1-CB 4.02Å; Q781-H787 WeakPolarHBondContact CG-CE1 3.4Å; Q781-H787 WeakPolarHBondContact CG-NE2 3.36Å; Q781-H787 PolarHBondContact NE2-CE1 3.44Å; Q781-H787 PolarHBondContact NE2-NE2 3.21Å; Q781-H787 VanDerWaalsContact O-CB 3.27Å; Q781-H787 WeakPolarHBondContact O-CB 3.06Å; Q781-H787 VanDerWaalsContact O-CG 3.22Å; Q781-H787 PolarHBondContact O-ND1 3.19Å; Q781-H787 VanDerWaalsContact O-ND1 3.11Å; D784-H787 PolarHBondContact O-N 2.67Å; D784-H787 IonicContact OD1-CE1 2.61Å; D784-H787 IonicContact OD1-CG 2.73Å; D784-H787 PolarHBondContact OD1-N 2.73Å; D784-H787 IonicContact OD1-ND1 3.05Å; D784-H787 PolarHBondContact OD1-ND1 3.3Å; D784-H787 IonicContact OD2-CE1 3.72Å; D784-H787 IonicContact OD2-ND1 3.45Å; D784-H787 PolarHBondContact OD2-ND1 3.34Å; H787-I791 WeakPolarHBondContact O-CD1 3.18Å; H787-I791 WeakPolarHBondContact O-CG1 3.48Å
788	L	94.2	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-26.2	-166.8	-67.8	173.1	0	0	0	113.2	F740 L743 L748 M782 N790 I791 L792 L799 L802	F740-L788 HydrophobicContact CD2-CD2 4.44Å; L743-L788 HydrophobicContact CB-CD2 3.64Å; L743-L788 HydrophobicContact CB-CG 4.21Å; L743-L788 HydrophobicContact CD1-CD2 4.24Å; L748-L788 HydrophobicContact CD2-CD1 3.42Å; L748-L788 VanDerWaalsContact CD2-CD1 3.42Å; M782-L788 HydrophobicContact CB-CD1 4.48Å; M782-L788 WeakPolarHBondContact O-CB 3.35Å; M782-L788 PolarHBondContact O-N 3.5Å; M782-L788 VanDerWaalsContact O-N 3.09Å; M782-L788 HydrophobicContact SD-CD1 4.2Å; M782-L788 HydrophobicContact SD-CG 4.48Å; L788-N790 PolarHBondContact O-N 3.36Å; L788-I791 PolarHBondContact O-N 2.75Å; L788-L792 HydrophobicContact CB-CD1 4.03Å; L788-L792 HydrophobicContact CD2-CD1 4.25Å; L788-L792 WeakPolarHBondContact O-CB 3.49Å; L788-L792 PolarHBondContact O-N 2.87Å; L788-L799 HydrophobicContact CB-CD2 4.18Å; L788-L802 HydrophobicContact CD1-CD1 4.04Å
789	Y	92.5	Very high	92.8	Very high	40 Å²	40	32.2 Å²	32.2	16%	0.157	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.7	-173.8	-171.1	-101.7	0	0	0	113.5	R630 P631 K698 L783 D784 I791	R630-Y789 HydrophobicContact CB-CD2 4.29Å; R630-Y789 HydrophobicContact CB-CE2 3.7Å; R630-Y789 HydrophobicContact CG-CE2 4.3Å; P631-Y789 HydrophobicContact CB-CD1 4.23Å; P631-Y789 HydrophobicContact CB-CE1 4.07Å; P631-Y789 HydrophobicContact CG-CD1 3.55Å; P631-Y789 HydrophobicContact CG-CD2 4.43Å; P631-Y789 HydrophobicContact CG-CE1 3.83Å; P631-Y789 HydrophobicContact CG-CG 3.86Å; K698-Y789 PolarHBondContact NZ-O 3.27Å; L783-Y789 VanDerWaalsContact O-CB 3.31Å; L783-Y789 WeakPolarHBondContact O-CB 3.37Å; D784-Y789 VanDerWaalsContact O-CB 3.23Å; D784-Y789 WeakPolarHBondContact O-CB 3.45Å; Y789-I791 VanDerWaalsContact C-N 3.31Å
790	N	90.2	Very high	92.6	Very high	63 Å²	63	33 Å²	33	34%	0.337	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8	177.4	-81.5	-5.8	0	0	0	113.9	K698 T785 L788	K698-N790 WeakPolarHBondContact CE-O 3.4Å; T785-N790 WeakPolarHBondContact CB-ND2 3.5Å; T785-N790 WeakPolarHBondContact O-CB 3.48Å; T785-N790 VanDerWaalsContact O-CG 3.29Å; T785-N790 PolarHBondContact O-ND2 2.64Å; L788-N790 PolarHBondContact O-N 3.36Å
791	I	92	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-36	179.6	-59.5	169.7	0	0	0	111.1	L697 K698 L700 K739 F740 L743 H787 L788 Y789	L697-I791 CarbonylContact C-O 3.59Å; L697-I791 WeakPolarHBondContact CA-O 3.26Å; L697-I791 HydrophobicContact CD2-CG2 4.2Å; K698-I791 PolarHBondContact N-O 3.34Å; L700-I791 HydrophobicContact CD2-CD1 4.25Å; L700-I791 HydrophobicContact CD2-CG1 3.54Å; L700-I791 HydrophobicContact CG-CG1 4.31Å; K739-I791 HydrophobicContact CB-CD1 4.12Å; K739-I791 HydrophobicContact CD-CD1 3.71Å; K739-I791 HydrophobicContact CG-CD1 3.68Å; F740-I791 HydrophobicContact CB-CG2 3.77Å; F740-I791 HydrophobicContact CD2-CG2 4.35Å; F740-I791 HydrophobicContact CG-CG2 4.45Å; L743-I791 HydrophobicContact CD1-CD1 3.76Å; H787-I791 WeakPolarHBondContact O-CD1 3.18Å; H787-I791 WeakPolarHBondContact O-CG1 3.48Å; L788-I791 PolarHBondContact O-N 2.75Å; Y789-I791 VanDerWaalsContact C-N 3.31Å
792	L	91.9	Very high	92.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-95.1	130.6	-177.1	-66.9	177.1	0	0	0	111	F695 L697 K698 F740 L788 A798 L799	F695-L792 HydrophobicContact CB-CD2 4.23Å; F695-L792 HydrophobicContact CD1-CD2 4.08Å; F695-L792 HydrophobicContact CG-CD2 4.43Å; L697-L792 HydrophobicContact CD2-CD2 3.72Å; K698-L792 WeakPolarHBondContact CE-O 3.49Å; K698-L792 PolarHBondContact NZ-O 3Å; F740-L792 HydrophobicContact CD2-CD2 3.95Å; F740-L792 HydrophobicContact CE2-CD2 3.71Å; L788-L792 HydrophobicContact CB-CD1 4.03Å; L788-L792 HydrophobicContact CD2-CD1 4.25Å; L788-L792 WeakPolarHBondContact O-CB 3.49Å; L788-L792 PolarHBondContact O-N 2.87Å; L792-A798 HydrophobicContact CD1-CB 4.35Å; L792-L799 HydrophobicContact CB-CD1 3.87Å; L792-L799 HydrophobicContact CB-CG 4.18Å; L792-L799 HydrophobicContact CD1-CD2 4.2Å; L792-L799 HydrophobicContact CD1-CG 4.07Å
793	Q	90.1	Very high	92.2	Very high	46 Å²	46	28.4 Å²	28.4	22%	0.215	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-85.6	139	169.8	176.2	60.5	49.9	0	0	109.6	Q696 K698 L705 C796	Q696-Q793 HydrophobicContact CB-CB 3.77Å; Q696-Q793 HydrophobicContact CB-CG 4.23Å; Q696-Q793 WeakPolarHBondContact O-CB 3.21Å; Q696-Q793 PolarHBondContact O-N 3.3Å; K698-Q793 HydrophobicContact CG-CB 4.19Å; L705-Q793 HydrophobicContact CD1-CG 4.39Å; L705-Q793 HydrophobicContact CD2-CB 3.61Å; L705-Q793 HydrophobicContact CD2-CG 3.66Å; Q793-C796 WeakPolarHBondContact O-CB 3.45Å
794	R	89.9	Confident	92	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.06	16%	0.16	C	C	.	.	S	Bend	trans	-85.2	149.4	172.7	-57.7	-168.1	84	-172.2	6	111.2	D611 W675 L799 D800	D611-R794 VanDerWaalsContact CG-CZ 3.48Å; D611-R794 IonicContact OD1-CZ 3.62Å; D611-R794 IonicContact OD1-NE 2.54Å; D611-R794 IonicContact OD1-NH1 3.69Å; D611-R794 PolarHBondContact OD1-NH1 3.39Å; D611-R794 IonicContact OD1-NH2 3.11Å; D611-R794 PolarHBondContact OD1-NH2 2.85Å; D611-R794 IonicContact OD2-CZ 3.49Å; D611-R794 IonicContact OD2-NE 2.7Å; D611-R794 IonicContact OD2-NH1 2.84Å; D611-R794 PolarHBondContact OD2-NH1 3.44Å; W675-R794 HydrophobicContact CH2-CB 3.61Å; W675-R794 HydrophobicContact CZ2-CB 4.4Å; W675-R794 HydrophobicContact CZ3-CB 4Å; R794-L799 HydrophobicContact CG-CD1 3.88Å; R794-D800 IonicContact CZ-OD1 3.4Å; R794-D800 IonicContact NE-OD1 3.93Å; R794-D800 IonicContact NH2-OD1 3.18Å; R794-D800 PolarHBondContact NH2-OD1 2.97Å
795	P	89.7	Confident	91.9	Very high	41 Å²	41	31.5 Å²	31.5	27%	0.266	16%	0.156	S	C	.	.	S	Bend	cis	-70.5	144.7	3	30	-33.3	0	0	0	112.4	Y646 W675	Y646-P795 HydrophobicContact CD2-CB 4.33Å; Y646-P795 HydrophobicContact CE2-CB 3.41Å; Y646-P795 VanDerWaalsContact CE2-CB 3.41Å; Y646-P795 WeakPolarHBondContact OH-CA 3.32Å; W675-P795 HydrophobicContact CD2-CB 3.88Å; W675-P795 HydrophobicContact CD2-CG 3.97Å; W675-P795 HydrophobicContact CE3-CB 3.77Å; W675-P795 HydrophobicContact CE3-CG 4.38Å; W675-P795 HydrophobicContact CG-CB 4.28Å; W675-P795 HydrophobicContact CG-CG 4.07Å; W675-P795 HydrophobicContact CZ3-CB 4.28Å
796	C	89.4	Confident	92.1	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.14	C	C	.	.			trans	-155.4	111.3	-177.9	-178.3	0	0	0	0	112.2	Y646 Q793 A798 L799 D800	Y646-C796 PolarHBondContact OH-N 3.32Å; Q793-C796 WeakPolarHBondContact O-CB 3.45Å; C796-A798 PolarHBondContact O-N 2.93Å; C796-A798 VanDerWaalsContact O-N 3.11Å; C796-L799 HydrophobicContact CB-CB 4.36Å; C796-L799 HydrophobicContact CB-CD1 4.21Å; C796-L799 HydrophobicContact CB-CG 4.27Å; C796-L799 PolarHBondContact O-N 3.42Å; C796-D800 VanDerWaalsContact O-CG 3.3Å; C796-D800 PolarHBondContact O-N 2.97Å
797	N	86.2	Confident	92.2	Very high	71 Å²	71	25.5 Å²	25.5	38%	0.38	12%	0.123	S	C	.	.	H	α-helix	trans	-56.1	-32.5	-178.6	-71	-7.1	0	0	0	113.7	D800 W801	N797-D800 PolarHBondContact O-N 2.95Å; N797-W801 VanDerWaalsContact O-CB 3.29Å; N797-W801 WeakPolarHBondContact O-CB 3.19Å; N797-W801 PolarHBondContact O-N 3.19Å
798	A	89.9	Confident	92.1	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-39.4	178.5	0	0	0	0	0	112.3	F695 F744 L748 F752 L792 C796 L802	F695-A798 HydrophobicContact CE1-CB 3.92Å; F744-A798 HydrophobicContact CD2-CB 4.43Å; F744-A798 HydrophobicContact CE2-CB 3.68Å; L748-A798 HydrophobicContact CD2-CB 4.46Å; F752-A798 HydrophobicContact CZ-CB 4.34Å; L792-A798 HydrophobicContact CD1-CB 4.35Å; C796-A798 PolarHBondContact O-N 2.93Å; C796-A798 VanDerWaalsContact O-N 3.11Å; A798-L802 WeakPolarHBondContact O-CG 3.47Å; A798-L802 PolarHBondContact O-N 3.29Å; A798-L802 VanDerWaalsContact O-N 3.16Å
799	L	93.2	Very high	92.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.8	-42.5	174	-68.4	179.2	0	0	0	110.6	L783 L788 L792 R794 C796 W801 L802 Q803	L783-L799 HydrophobicContact CD2-CD2 4.32Å; L788-L799 HydrophobicContact CB-CD2 4.18Å; L792-L799 HydrophobicContact CB-CD1 3.87Å; L792-L799 HydrophobicContact CB-CG 4.18Å; L792-L799 HydrophobicContact CD1-CD2 4.2Å; L792-L799 HydrophobicContact CD1-CG 4.07Å; R794-L799 HydrophobicContact CG-CD1 3.88Å; C796-L799 HydrophobicContact CB-CB 4.36Å; C796-L799 HydrophobicContact CB-CD1 4.21Å; C796-L799 HydrophobicContact CB-CG 4.27Å; C796-L799 PolarHBondContact O-N 3.42Å; L799-W801 VanDerWaalsContact C-N 3.32Å; L799-W801 PolarHBondContact O-N 2.82Å; L799-L802 PolarHBondContact O-N 2.93Å; L799-Q803 VanDerWaalsContact O-CG 3.28Å; L799-Q803 WeakPolarHBondContact O-CG 3.44Å; L799-Q803 PolarHBondContact O-N 3.11Å
800	D	92.5	Very high	92.1	Very high	16 Å²	16	23.7 Å²	23.7	9%	0.086	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-41.4	178.9	-58	-29.4	0	0	0	111.3	Y646 R794 C796 N797 Q803 E804	Y646-D800 VanDerWaalsContact CZ-OD2 3.31Å; Y646-D800 PolarHBondContact OH-OD1 3.04Å; Y646-D800 PolarHBondContact OH-OD2 3.08Å; R794-D800 IonicContact CZ-OD1 3.4Å; R794-D800 IonicContact NE-OD1 3.93Å; R794-D800 IonicContact NH2-OD1 3.18Å; R794-D800 PolarHBondContact NH2-OD1 2.97Å; C796-D800 VanDerWaalsContact O-CG 3.3Å; C796-D800 PolarHBondContact O-N 2.97Å; N797-D800 PolarHBondContact O-N 2.95Å; D800-Q803 PolarHBondContact O-N 3.14Å; D800-E804 WeakPolarHBondContact O-CB 3.35Å; D800-E804 PolarHBondContact O-N 3.15Å
801	W	91.7	Very high	92.2	Very high	56 Å²	56	21.6 Å²	21.6	21%	0.212	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-44.3	174.1	-177.2	92.2	0	0	0	112.2	L748 F752 I755 N797 L799 Q803 E804 M805	L748-W801 HydrophobicContact CD1-CE3 4.4Å; L748-W801 HydrophobicContact CD1-CZ3 3.93Å; F752-W801 AromaticContact CD1-CD2 3.55Å; F752-W801 HydrophobicContact CD1-CD2 3.55Å; F752-W801 AromaticContact CD1-CE2 3.57Å; F752-W801 AromaticContact CD1-CE3 3.64Å; F752-W801 HydrophobicContact CD1-CE3 3.64Å; F752-W801 HydrophobicContact CD1-CG 4.2Å; F752-W801 AromaticContact CD1-CH2 3.76Å; F752-W801 HydrophobicContact CD1-CH2 3.76Å; F752-W801 AromaticContact CD1-CZ2 3.67Å; F752-W801 HydrophobicContact CD1-CZ2 3.67Å; F752-W801 AromaticContact CD1-CZ3 3.74Å; F752-W801 HydrophobicContact CD1-CZ3 3.74Å; F752-W801 HydrophobicContact CE1-CB 4.36Å; F752-W801 AromaticContact CE1-CD2 3.49Å; F752-W801 HydrophobicContact CE1-CD2 3.49Å; F752-W801 VanDerWaalsContact CE1-CD2 3.49Å; F752-W801 AromaticContact CE1-CE3 3.4Å; F752-W801 HydrophobicContact CE1-CE3 3.4Å; F752-W801 VanDerWaalsContact CE1-CE3 3.4Å; F752-W801 AromaticContact CE1-CG 3.92Å; F752-W801 HydrophobicContact CE1-CG 3.92Å; F752-W801 HydrophobicContact CE1-CH2 4.35Å; F752-W801 HydrophobicContact CE1-CZ2 4.43Å; F752-W801 AromaticContact CE1-CZ3 3.86Å; F752-W801 HydrophobicContact CE1-CZ3 3.86Å; I755-W801 HydrophobicContact CD1-CH2 4.44Å; N797-W801 VanDerWaalsContact O-CB 3.29Å; N797-W801 WeakPolarHBondContact O-CB 3.19Å; N797-W801 PolarHBondContact O-N 3.19Å; L799-W801 VanDerWaalsContact C-N 3.32Å; L799-W801 PolarHBondContact O-N 2.82Å; W801-Q803 VanDerWaalsContact C-N 3.33Å; W801-Q803 PolarHBondContact O-N 3.32Å; W801-E804 PolarHBondContact O-N 3.48Å; W801-M805 HydrophobicContact CE3-CB 4.34Å; W801-M805 HydrophobicContact CH2-CE 3.78Å; W801-M805 HydrophobicContact CH2-CG 4.23Å; W801-M805 HydrophobicContact CZ2-CE 3.33Å; W801-M805 HydrophobicContact CZ3-CB 4.32Å; W801-M805 HydrophobicContact CZ3-CG 4.33Å; W801-M805 WeakPolarHBondContact O-CB 3.35Å; W801-M805 PolarHBondContact O-N 2.86Å
802	L	95.4	Very high	92.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-40	177.2	-78.9	168.3	0	0	0	111.8	L748 T779 M782 L783 L788 A798 L799 M805 L806	L748-L802 HydrophobicContact CD1-CD2 3.75Å; L748-L802 HydrophobicContact CD1-CG 4.23Å; L748-L802 HydrophobicContact CD2-CD1 3.9Å; L748-L802 HydrophobicContact CD2-CG 4.27Å; T779-L802 HydrophobicContact CG2-CB 4.3Å; T779-L802 HydrophobicContact CG2-CD2 3.89Å; T779-L802 WeakPolarHBondContact CG2-O 3.48Å; M782-L802 HydrophobicContact CB-CD1 3.75Å; M782-L802 HydrophobicContact CB-CD2 3.93Å; M782-L802 HydrophobicContact CG-CD2 4.49Å; L783-L802 HydrophobicContact CD1-CB 4.09Å; L783-L802 HydrophobicContact CD2-CB 3.68Å; L783-L802 HydrophobicContact CD2-CD1 4.28Å; L783-L802 HydrophobicContact CG-CB 3.82Å; L783-L802 HydrophobicContact CG-CD1 4.37Å; L788-L802 HydrophobicContact CD1-CD1 4.04Å; A798-L802 WeakPolarHBondContact O-CG 3.47Å; A798-L802 PolarHBondContact O-N 3.29Å; A798-L802 VanDerWaalsContact O-N 3.16Å; L799-L802 PolarHBondContact O-N 2.93Å; L802-M805 PolarHBondContact O-N 3.24Å; L802-L806 WeakPolarHBondContact O-CB 3.37Å; L802-L806 PolarHBondContact O-N 3.42Å
803	Q	95.9	Very high	92.1	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.033	11%	0.108	C	C	.	.	H	α-helix	trans	-65.1	-46.8	178.2	-71.2	175.7	12.1	0	0	111.7	I629 L783 L799 D800 W801 L806 K807	I629-Q803 HydrophobicContact CB-CB 4.19Å; I629-Q803 HydrophobicContact CB-CG 4.08Å; I629-Q803 HydrophobicContact CD1-CB 4.21Å; I629-Q803 HydrophobicContact CD1-CG 4.38Å; I629-Q803 HydrophobicContact CG1-CG 4.39Å; I629-Q803 WeakPolarHBondContact O-CG 3.47Å; L783-Q803 HydrophobicContact CD1-CG 4.38Å; L783-Q803 HydrophobicContact CD2-CG 3.83Å; L799-Q803 VanDerWaalsContact O-CG 3.28Å; L799-Q803 WeakPolarHBondContact O-CG 3.44Å; L799-Q803 PolarHBondContact O-N 3.11Å; D800-Q803 PolarHBondContact O-N 3.14Å; W801-Q803 VanDerWaalsContact C-N 3.33Å; W801-Q803 PolarHBondContact O-N 3.32Å; Q803-L806 PolarHBondContact O-N 3.13Å; Q803-K807 PolarHBondContact O-N 3.26Å
804	E	93.1	Very high	92.2	Very high	82 Å²	82	21.1 Å²	21.1	38%	0.383	10%	0.103	S	C	.	.	H	α-helix	trans	-66	-39.2	176.7	-176.5	55.6	-150.2	0	0	111.2	D800 W801 L806 K807 Q808	D800-E804 WeakPolarHBondContact O-CB 3.35Å; D800-E804 PolarHBondContact O-N 3.15Å; W801-E804 PolarHBondContact O-N 3.48Å; E804-L806 PolarHBondContact O-N 3.47Å; E804-K807 WeakPolarHBondContact O-CB 3.37Å; E804-K807 PolarHBondContact O-N 3.29Å; E804-Q808 WeakPolarHBondContact O-CG 3.26Å; E804-Q808 PolarHBondContact O-N 3.49Å; E804-Q808 PolarHBondContact OE1-NE2 2.89Å; E804-Q808 VanDerWaalsContact OE1-NE2 3.17Å
805	M	93.8	Very high	92.2	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-43.8	173.3	-174.6	57.9	64.3	0	0	111.4	L587 I755 T779 W801 L802 K807 Q808 L809	L587-M805 HydrophobicContact CD1-CE 4.14Å; L587-M805 HydrophobicContact CD1-SD 3.85Å; I755-M805 HydrophobicContact CG2-CE 4.47Å; I755-M805 HydrophobicContact CG2-SD 4.2Å; T779-M805 HydrophobicContact CG2-CB 4.41Å; W801-M805 HydrophobicContact CE3-CB 4.34Å; W801-M805 HydrophobicContact CH2-CE 3.78Å; W801-M805 HydrophobicContact CH2-CG 4.23Å; W801-M805 HydrophobicContact CZ2-CE 3.33Å; W801-M805 HydrophobicContact CZ3-CB 4.32Å; W801-M805 HydrophobicContact CZ3-CG 4.33Å; W801-M805 WeakPolarHBondContact O-CB 3.35Å; W801-M805 PolarHBondContact O-N 2.86Å; L802-M805 PolarHBondContact O-N 3.24Å; M805-K807 PolarHBondContact O-N 3.31Å; M805-Q808 PolarHBondContact O-N 2.98Å; M805-L809 HydrophobicContact CG-CD1 4Å; M805-L809 HydrophobicContact CG-CG 4.47Å; M805-L809 WeakPolarHBondContact O-CB 3.44Å; M805-L809 WeakPolarHBondContact O-CD1 3.31Å; M805-L809 WeakPolarHBondContact O-CG 3.43Å; M805-L809 PolarHBondContact O-N 2.8Å; M805-L809 HydrophobicContact SD-CD1 4.36Å; M805-L809 HydrophobicContact SD-CG 4.3Å
806	L	96.4	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-45.9	176.6	178.8	57.5	0	0	0	111.2	I776 T779 K780 L783 L802 Q803 E804 L809 L810	I776-L806 HydrophobicContact CG2-CD1 4.14Å; T779-L806 HydrophobicContact CG2-CB 3.77Å; K780-L806 HydrophobicContact CG-CD1 3.93Å; K780-L806 HydrophobicContact CG-CD2 4.31Å; L783-L806 HydrophobicContact CD1-CB 4.33Å; L783-L806 HydrophobicContact CD1-CD2 3.94Å; L802-L806 WeakPolarHBondContact O-CB 3.37Å; L802-L806 PolarHBondContact O-N 3.42Å; Q803-L806 PolarHBondContact O-N 3.13Å; E804-L806 PolarHBondContact O-N 3.47Å; L806-L809 PolarHBondContact O-N 3.27Å; L806-L810 HydrophobicContact CD1-CD1 4.13Å; L806-L810 HydrophobicContact CD1-CG 4.23Å; L806-L810 HydrophobicContact CG-CD1 4.02Å; L806-L810 VanDerWaalsContact O-CG 3.27Å; L806-L810 WeakPolarHBondContact O-CG 3.21Å; L806-L810 PolarHBondContact O-N 3.1Å
807	K	94.3	Very high	92.2	Very high	59 Å²	59	19.2 Å²	19.2	26%	0.257	9%	0.094	S	C	.	.	H	α-helix	trans	-56.7	-52.5	175.8	176.4	-171.9	177.2	-169.8	0	111.6	T615 Q803 E804 M805 L809 L810 D811	T615-K807 HydrophobicContact CG2-CB 4.05Å; T615-K807 HydrophobicContact CG2-CG 4.08Å; T615-K807 VanDerWaalsContact OG1-CD 3.24Å; T615-K807 WeakPolarHBondContact OG1-CD 3.06Å; T615-K807 WeakPolarHBondContact OG1-CG 3.2Å; Q803-K807 PolarHBondContact O-N 3.26Å; E804-K807 WeakPolarHBondContact O-CB 3.37Å; E804-K807 PolarHBondContact O-N 3.29Å; M805-K807 PolarHBondContact O-N 3.31Å; K807-L809 VanDerWaalsContact C-N 3.28Å; K807-L809 PolarHBondContact O-N 3.42Å; K807-L810 WeakPolarHBondContact O-CB 3.16Å; K807-L810 PolarHBondContact O-N 3.13Å; K807-L810 VanDerWaalsContact O-N 3.09Å; K807-D811 PolarHBondContact O-N 3.27Å
808	Q	91.8	Very high	92.3	Very high	24 Å²	24	15.9 Å²	15.9	11%	0.112	8%	0.076	C	C	.	.	H	α-helix	trans	-60.7	-37.9	-179	-68.9	179.8	20.9	0	0	112.6	L587 L590 E804 M805 D811 L812	L587-Q808 PolarHBondContact O-OE1 3.13Å; L590-Q808 HydrophobicContact CD2-CG 3.96Å; E804-Q808 WeakPolarHBondContact O-CG 3.26Å; E804-Q808 PolarHBondContact O-N 3.49Å; E804-Q808 PolarHBondContact OE1-NE2 2.89Å; E804-Q808 VanDerWaalsContact OE1-NE2 3.17Å; M805-Q808 PolarHBondContact O-N 2.98Å; Q808-D811 PolarHBondContact O-N 2.99Å; Q808-L812 WeakPolarHBondContact O-CB 3.48Å; Q808-L812 WeakPolarHBondContact O-CG 3.02Å; Q808-L812 PolarHBondContact O-N 3.05Å
809	L	93.9	Very high	92.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.7	-37.2	176.4	-69.1	169.2	0	0	0	112.3	F759 F775 I776 M805 L806 K807 Q813	F759-L809 HydrophobicContact CE1-CD2 4.25Å; F759-L809 HydrophobicContact CE2-CD2 4.1Å; F759-L809 HydrophobicContact CZ-CD2 3.45Å; F759-L809 VanDerWaalsContact CZ-CD2 3.45Å; F775-L809 HydrophobicContact CB-CD1 3.66Å; F775-L809 HydrophobicContact CB-CD2 3.85Å; F775-L809 HydrophobicContact CB-CG 4.43Å; I776-L809 HydrophobicContact CD1-CB 4.29Å; I776-L809 HydrophobicContact CG1-CB 3.61Å; I776-L809 HydrophobicContact CG1-CD1 4.26Å; I776-L809 HydrophobicContact CG1-CG 4.48Å; M805-L809 HydrophobicContact CG-CD1 4Å; M805-L809 HydrophobicContact CG-CG 4.47Å; M805-L809 WeakPolarHBondContact O-CB 3.44Å; M805-L809 WeakPolarHBondContact O-CD1 3.31Å; M805-L809 WeakPolarHBondContact O-CG 3.43Å; M805-L809 PolarHBondContact O-N 2.8Å; M805-L809 HydrophobicContact SD-CD1 4.36Å; M805-L809 HydrophobicContact SD-CG 4.3Å; L806-L809 PolarHBondContact O-N 3.27Å; K807-L809 VanDerWaalsContact C-N 3.28Å; K807-L809 PolarHBondContact O-N 3.42Å; L809-Q813 WeakPolarHBondContact O-CB 3.14Å; L809-Q813 PolarHBondContact O-N 3.33Å; L809-Q813 VanDerWaalsContact O-N 3.13Å
810	L	93.7	Very high	91.8	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-68.2	-41.9	174.2	-69.3	167	0	0	0	111.4	V617 Y627 L806 K807 Q813 H814	V617-L810 HydrophobicContact CG2-CB 3.83Å; V617-L810 HydrophobicContact CG2-CD1 4.44Å; Y627-L810 HydrophobicContact CD1-CD1 4.05Å; Y627-L810 HydrophobicContact CD1-CD2 4.18Å; Y627-L810 HydrophobicContact CD2-CD1 4.12Å; Y627-L810 HydrophobicContact CE1-CD2 4.02Å; Y627-L810 HydrophobicContact CG-CD1 3.75Å; L806-L810 HydrophobicContact CD1-CD1 4.13Å; L806-L810 HydrophobicContact CD1-CG 4.23Å; L806-L810 HydrophobicContact CG-CD1 4.02Å; L806-L810 VanDerWaalsContact O-CG 3.27Å; L806-L810 WeakPolarHBondContact O-CG 3.21Å; L806-L810 PolarHBondContact O-N 3.1Å; K807-L810 WeakPolarHBondContact O-CB 3.16Å; K807-L810 PolarHBondContact O-N 3.13Å; K807-L810 VanDerWaalsContact O-N 3.09Å; L810-Q813 PolarHBondContact O-N 3.01Å; L810-Q813 VanDerWaalsContact O-N 3.14Å; L810-H814 WeakPolarHBondContact O-CB 3.37Å; L810-H814 PolarHBondContact O-CD2 2.84Å; L810-H814 PolarHBondContact O-N 3.33Å
811	D	91.1	Very high	91.4	Very high	19 Å²	19	15.9 Å²	15.9	10%	0.102	8%	0.075	C	C	.	.	H	α-helix	trans	-59.5	-48.1	173.7	-75.1	-31	0	0	0	110.6	P559 K807 Q808 Q813 H814 T815	P559-D811 HydrophobicContact CG-CB 4.43Å; K807-D811 PolarHBondContact O-N 3.27Å; Q808-D811 PolarHBondContact O-N 2.99Å; D811-Q813 PolarHBondContact O-N 3.5Å; D811-Q813 VanDerWaalsContact O-N 3.17Å; D811-H814 PolarHBondContact O-N 3.3Å; D811-T815 WeakPolarHBondContact CA-OG1 3.46Å; D811-T815 WeakPolarHBondContact O-CA 3.5Å; D811-T815 WeakPolarHBondContact O-CB 3.34Å; D811-T815 PolarHBondContact O-N 3.47Å; D811-T815 PolarHBondContact OD1-OG1 3.29Å
812	L	91	Very high	90.9	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-28.9	176.2	-79.7	173.6	0	0	0	113.7	Y561 I585 L587 F759 L772 Q808 W817	Y561-L812 HydrophobicContact CE2-CD2 4.22Å; Y561-L812 VanDerWaalsContact OH-CD2 3.24Å; Y561-L812 WeakPolarHBondContact OH-CD2 3.33Å; I585-L812 HydrophobicContact CD1-CD2 4.46Å; L587-L812 HydrophobicContact CD2-CD1 3.82Å; F759-L812 HydrophobicContact CD1-CD1 4.17Å; F759-L812 HydrophobicContact CE1-CD1 3.73Å; L772-L812 HydrophobicContact CD1-CB 4.18Å; L772-L812 HydrophobicContact CD2-CB 4.02Å; L772-L812 HydrophobicContact CD2-CD1 4.32Å; Q808-L812 WeakPolarHBondContact O-CB 3.48Å; Q808-L812 WeakPolarHBondContact O-CG 3.02Å; Q808-L812 PolarHBondContact O-N 3.05Å; L812-W817 HydrophobicContact CD2-CD2 4.24Å; L812-W817 HydrophobicContact CD2-CG 4.46Å; L812-W817 HydrophobicContact CD2-CZ2 4.02Å; L812-W817 PolarHBondContact O-NE1 2.79Å
813	Q	91.7	Very high	90.3	Very high	15 Å²	15	21.7 Å²	21.7	7%	0.07	10%	0.103	C	C	.	.	H	α-helix	trans	-83.3	-37.3	-178.6	178	168.8	58.4	0	0	113.3	L772 N773 I776 L809 L810 D811	L772-Q813 HydrophobicContact CD1-CB 3.91Å; N773-Q813 PolarHBondContact OD1-NE2 3.41Å; I776-Q813 HydrophobicContact CD1-CB 4.26Å; L809-Q813 WeakPolarHBondContact O-CB 3.14Å; L809-Q813 PolarHBondContact O-N 3.33Å; L809-Q813 VanDerWaalsContact O-N 3.13Å; L810-Q813 PolarHBondContact O-N 3.01Å; L810-Q813 VanDerWaalsContact O-N 3.14Å; D811-Q813 PolarHBondContact O-N 3.5Å; D811-Q813 VanDerWaalsContact O-N 3.17Å
814	H	91.5	Very high	89.9	Confident	21 Å²	21	21.4 Å²	21.4	10%	0.097	10%	0.102	C	C	.	.	H	α-helix	trans	-119.8	-32.4	-166	-64	-60.9	0	0	0	113.8	A222 K223 V617 I619 Y627 L810 D811	A222-H814 WeakPolarHBondContact CA-O 3.47Å; K223-H814 PolarHBondContact N-O 3.38Å; V617-H814 HydrophobicContact CG1-CB 4.02Å; I619-H814 HydrophobicContact CD1-CB 3.61Å; Y627-H814 PolarHBondContact OH-CD2 3.03Å; Y627-H814 PolarHBondContact OH-NE2 3.38Å; L810-H814 WeakPolarHBondContact O-CB 3.37Å; L810-H814 PolarHBondContact O-CD2 2.84Å; L810-H814 PolarHBondContact O-N 3.33Å; D811-H814 PolarHBondContact O-N 3.3Å
815	T	90.8	Very high	89.4	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-81.6	148.9	-178	-56.2	0	0	0	0	111.5	H220 L558 V617 T618 D811	H220-T815 PolarHBondContact CD2-O 2.95Å; L558-T815 HydrophobicContact CD2-CG2 3.26Å; V617-T815 WeakPolarHBondContact CG1-OG1 3.49Å; T618-T815 PolarHBondContact N-OG1 3.45Å; T618-T815 WeakPolarHBondContact O-CA 3.39Å; T618-T815 VanDerWaalsContact O-CB 3.24Å; T618-T815 WeakPolarHBondContact O-CB 3.33Å; T618-T815 PolarHBondContact O-OG1 3.09Å; D811-T815 WeakPolarHBondContact CA-OG1 3.46Å; D811-T815 WeakPolarHBondContact O-CA 3.5Å; D811-T815 WeakPolarHBondContact O-CB 3.34Å; D811-T815 PolarHBondContact O-N 3.47Å; D811-T815 PolarHBondContact OD1-OG1 3.29Å
816	G	88.7	Confident	89	Confident	12 Å²	12	25.1 Å²	25.1	12%	0.124	12%	0.123	C	C	.	.			trans	-72.9	132.9	170.9	0	0	0	0	0	110.4	H220 L558	H220-G816 CarbonylContact O-C 3.51Å; H220-G816 WeakPolarHBondContact O-CA 3.43Å; L558-G816 WeakPolarHBondContact CD2-O 3.28Å
817	W	89.8	Confident	88.5	Confident	5 Å²	5	25.2 Å²	25.2	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	162.5	177.3	57.1	-94.9	0	0	0	111.1	F218 V219 H220 P559 Y561 I585 P764 M767 L812	F218-W817 HydrophobicContact CD1-CE3 4.45Å; F218-W817 HydrophobicContact CD1-CH2 4.02Å; F218-W817 AromaticContact CD1-CZ3 3.79Å; F218-W817 HydrophobicContact CD1-CZ3 3.79Å; F218-W817 HydrophobicContact CE1-CE3 4.4Å; F218-W817 AromaticContact CE1-CH2 3.52Å; F218-W817 HydrophobicContact CE1-CH2 3.52Å; F218-W817 AromaticContact CE1-CZ2 3.99Å; F218-W817 HydrophobicContact CE1-CZ2 3.99Å; F218-W817 AromaticContact CE1-CZ3 3.74Å; F218-W817 HydrophobicContact CE1-CZ3 3.74Å; V219-W817 CarbonylContact C-O 3.58Å; V219-W817 WeakPolarHBondContact CA-O 3.4Å; H220-W817 HydrophobicContact CB-CD2 3.6Å; H220-W817 HydrophobicContact CB-CE3 4.33Å; H220-W817 HydrophobicContact CB-CG 3.79Å; H220-W817 HydrophobicContact CB-CZ2 3.89Å; H220-W817 VanDerWaalsContact CB-NE1 3.28Å; H220-W817 AromaticContact CD2-CD1 3.92Å; H220-W817 AromaticContact CD2-NE1 3.59Å; H220-W817 AromaticContact CG-CD1 3.86Å; H220-W817 AromaticContact CG-CE2 3.73Å; H220-W817 AromaticContact CG-NE1 3.3Å; H220-W817 VanDerWaalsContact CG-NE1 3.3Å; H220-W817 PolarHBondContact N-O 3.28Å; H220-W817 AromaticContact ND1-NE1 3.9Å; H220-W817 PolarHBondContact O-N 3.1Å; P559-W817 HydrophobicContact CB-CB 3.92Å; P559-W817 HydrophobicContact CG-CB 4.31Å; P559-W817 WeakPolarHBondContact O-CA 3.31Å; P559-W817 VanDerWaalsContact O-CB 3.31Å; P559-W817 WeakPolarHBondContact O-CB 3.42Å; Y561-W817 HydrophobicContact CD2-CD2 4.31Å; Y561-W817 AromaticContact CD2-CE3 3.49Å; Y561-W817 HydrophobicContact CD2-CE3 3.49Å; Y561-W817 VanDerWaalsContact CD2-CE3 3.49Å; Y561-W817 AromaticContact CD2-CZ3 3.83Å; Y561-W817 HydrophobicContact CD2-CZ3 3.83Å; Y561-W817 HydrophobicContact CE2-CB 4.23Å; Y561-W817 AromaticContact CE2-CD2 3.81Å; Y561-W817 HydrophobicContact CE2-CD2 3.81Å; Y561-W817 AromaticContact CE2-CE3 3.43Å; Y561-W817 HydrophobicContact CE2-CE3 3.43Å; Y561-W817 VanDerWaalsContact CE2-CE3 3.43Å; Y561-W817 HydrophobicContact CE2-CG 4.18Å; Y561-W817 AromaticContact CE2-CZ3 3.96Å; Y561-W817 HydrophobicContact CE2-CZ3 3.96Å; I585-W817 HydrophobicContact CD1-CE3 4.38Å; I585-W817 HydrophobicContact CD1-CH2 3.6Å; I585-W817 HydrophobicContact CD1-CZ2 4.37Å; I585-W817 HydrophobicContact CD1-CZ3 3.61Å; P764-W817 HydrophobicContact CB-CH2 3.78Å; P764-W817 HydrophobicContact CB-CZ3 4.06Å; M767-W817 HydrophobicContact SD-CH2 4.44Å; L812-W817 HydrophobicContact CD2-CD2 4.24Å; L812-W817 HydrophobicContact CD2-CG 4.46Å; L812-W817 HydrophobicContact CD2-CZ2 4.02Å; L812-W817 PolarHBondContact O-NE1 2.79Å
818	S	88.5	Confident	87.9	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.014	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.7	-177.5	63.9	0	0	0	0	112.7	F218 P559 Y561 E820	F218-S818 CarbonylContact O-C 3.41Å; F218-S818 VanDerWaalsContact O-CA 3.28Å; F218-S818 WeakPolarHBondContact O-CA 3.42Å; P559-S818 PolarHBondContact O-N 3.03Å; Y561-S818 WeakPolarHBondContact CD2-O 3.45Å; Y561-S818 PolarHBondContact N-O 3.27Å; S818-E820 WeakPolarHBondContact CB-OE1 3.34Å; S818-E820 PolarHBondContact OG-OE1 3.19Å
819	Y	86.5	Confident	87.7	Confident	6 Å²	6	26.5 Å²	26.5	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.7	172.5	-170.2	-88.6	0	0	0	107.9	I215 Y217 F218 Y561 F563 P583 I585 P764	I215-Y819 HydrophobicContact CB-CD1 4.48Å; I215-Y819 HydrophobicContact CG2-CD1 4.35Å; Y217-Y819 CarbonylContact C-O 3.58Å; Y217-Y819 WeakPolarHBondContact CA-O 3.34Å; F218-Y819 PolarHBondContact N-O 2.77Å; F218-Y819 PolarHBondContact O-N 2.72Å; Y561-Y819 HydrophobicContact CG-CD2 4.32Å; Y561-Y819 WeakPolarHBondContact O-CA 3.46Å; F563-Y819 HydrophobicContact CB-CE1 4.08Å; F563-Y819 HydrophobicContact CB-CE2 4.46Å; F563-Y819 WeakPolarHBondContact CB-OH 3.3Å; F563-Y819 AromaticContact CD1-CD1 3.65Å; F563-Y819 HydrophobicContact CD1-CD1 3.65Å; F563-Y819 AromaticContact CD1-CE1 3.03Å; F563-Y819 HydrophobicContact CD1-CE1 3.03Å; F563-Y819 AromaticContact CD1-CZ 3.56Å; F563-Y819 HydrophobicContact CD2-CE1 4.38Å; F563-Y819 AromaticContact CE1-CD1 3.81Å; F563-Y819 HydrophobicContact CE1-CD1 3.81Å; F563-Y819 AromaticContact CE1-CE1 3.42Å; F563-Y819 HydrophobicContact CE1-CE1 3.42Å; F563-Y819 VanDerWaalsContact CE1-CE1 3.42Å; F563-Y819 AromaticContact CG-CE1 3.58Å; F563-Y819 HydrophobicContact CG-CE1 3.58Å; F563-Y819 AromaticContact CG-CZ 3.7Å; F563-Y819 WeakPolarHBondContact CG-OH 3.41Å; F563-Y819 HydrophobicContact CZ-CE1 4.24Å; P583-Y819 WeakPolarHBondContact CA-OH 3.48Å; P583-Y819 HydrophobicContact CB-CE1 3.71Å; P583-Y819 WeakPolarHBondContact CB-OH 3.33Å; I585-Y819 HydrophobicContact CG1-CD2 4.22Å; I585-Y819 HydrophobicContact CG1-CE2 4.3Å; P764-Y819 HydrophobicContact CG-CD1 4.1Å; P764-Y819 HydrophobicContact CG-CD2 3.58Å; P764-Y819 HydrophobicContact CG-CE1 4.39Å; P764-Y819 HydrophobicContact CG-CE2 3.95Å; P764-Y819 HydrophobicContact CG-CG 3.69Å
820	E	86	Confident	87.3	Confident	12 Å²	12	27.9 Å²	27.9	6%	0.056	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.3	-166.1	-51.5	-169.3	175.4	0	0	111.8	Y217 R319 Y561 F563 S818	Y217-E820 HydrophobicContact CD2-CG 3.93Å; Y217-E820 HydrophobicContact CE2-CG 4.07Å; R319-E820 IonicContact CZ-OE1 3.72Å; R319-E820 IonicContact CZ-OE2 3.26Å; R319-E820 IonicContact NE-OE1 2.81Å; R319-E820 PolarHBondContact NE-OE1 2.89Å; R319-E820 IonicContact NE-OE2 3.39Å; R319-E820 VanDerWaalsContact NH2-CD 3.34Å; R319-E820 IonicContact NH2-OE1 3.27Å; R319-E820 PolarHBondContact NH2-OE1 3.18Å; R319-E820 IonicContact NH2-OE2 3.16Å; R319-E820 PolarHBondContact NH2-OE2 2.63Å; Y561-E820 PolarHBondContact O-N 3.15Å; F563-E820 WeakPolarHBondContact CD1-O 3.45Å; F563-E820 PolarHBondContact N-O 2.85Å; S818-E820 WeakPolarHBondContact CB-OE1 3.34Å; S818-E820 PolarHBondContact OG-OE1 3.19Å
821	S	83.4	Confident	87	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	158.2	171	78.2	0	0	0	0	111.3	P216 I823 I824 R825	P216-S821 WeakPolarHBondContact O-CB 3.26Å; P216-S821 PolarHBondContact O-N 3.26Å; S821-I823 PolarHBondContact O-N 3Å; S821-I823 VanDerWaalsContact O-N 3.15Å; S821-I823 PolarHBondContact OG-N 3.34Å; S821-I824 PolarHBondContact O-N 3.28Å; S821-I824 VanDerWaalsContact O-N 3.14Å; S821-R825 PolarHBondContact O-N 3.26Å
822	K	81.4	Confident	86.7	Confident	136 Å²	136	29.8 Å²	29.8	59%	0.591	15%	0.145	S	C	*	.	H	α-helix	trans	-56.1	-30.6	174.5	-171.8	176.4	179	-178.9	0	112.7	S826	K822-S826 VanDerWaalsContact O-CB 3.31Å; K822-S826 WeakPolarHBondContact O-CB 3.27Å; K822-S826 PolarHBondContact O-N 3.46Å; K822-S826 PolarHBondContact O-OG 3.5Å
823	I	83.9	Confident	86.5	Confident	43 Å²	43	31.6 Å²	31.6	22%	0.221	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-46.3	178.8	-64.5	172	0	0	0	110.5	L91 S92 I125 S821 S826 A827	L91-I823 HydrophobicContact CB-CG2 4Å; S92-I823 WeakPolarHBondContact CB-O 3.24Å; S92-I823 WeakPolarHBondContact OG-CA 3.48Å; S92-I823 WeakPolarHBondContact OG-CG2 3.38Å; S92-I823 PolarHBondContact OG-O 2.85Å; I125-I823 HydrophobicContact CG2-CG2 4.11Å; S821-I823 PolarHBondContact O-N 3Å; S821-I823 VanDerWaalsContact O-N 3.15Å; S821-I823 PolarHBondContact OG-N 3.34Å; I823-S826 PolarHBondContact O-N 2.98Å; I823-A827 PolarHBondContact O-N 3.3Å
824	I	86.1	Confident	86.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.8	-46.7	-178.6	-63.8	172.4	0	0	0	110	I125 V127 P216 Y217 I321 S821 S826 A827 F828	I125-I824 HydrophobicContact CD1-CD1 4.32Å; I125-I824 HydrophobicContact CD1-CG1 4.16Å; V127-I824 HydrophobicContact CG2-CD1 4.46Å; P216-I824 VanDerWaalsContact O-CD1 3.27Å; P216-I824 WeakPolarHBondContact O-CD1 3.35Å; Y217-I824 HydrophobicContact CD2-CD1 3.69Å; Y217-I824 HydrophobicContact CD2-CG2 4.41Å; Y217-I824 HydrophobicContact CG-CD1 3.95Å; I321-I824 HydrophobicContact CD1-CD1 3.71Å; I321-I824 HydrophobicContact CD1-CG1 4.09Å; I321-I824 HydrophobicContact CD1-CG2 4.27Å; I321-I824 HydrophobicContact CG1-CG2 4.38Å; S821-I824 PolarHBondContact O-N 3.28Å; S821-I824 VanDerWaalsContact O-N 3.14Å; I824-S826 PolarHBondContact O-N 2.88Å; I824-A827 WeakPolarHBondContact O-CB 3.41Å; I824-A827 PolarHBondContact O-N 2.76Å; I824-F828 HydrophobicContact CG2-CE2 4.36Å; I824-F828 WeakPolarHBondContact O-CD2 3.44Å
825	R	83.3	Confident	85.8	Confident	98 Å²	98	33.5 Å²	33.5	37%	0.37	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-29.6	179.3	-168.2	171.3	-179.9	134.2	-8.1	113.2	E560 S821 A827	E560-R825 IonicContact OE2-NH1 2.9Å; S821-R825 PolarHBondContact O-N 3.26Å; R825-A827 VanDerWaalsContact C-N 3.29Å
826	S	85.9	Confident	85.4	Confident	69 Å²	69	36.1 Å²	36.1	48%	0.483	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.6	176.6	-53.2	0	0	0	0	113.2	K822 I823 I824	K822-S826 VanDerWaalsContact O-CB 3.31Å; K822-S826 WeakPolarHBondContact O-CB 3.27Å; K822-S826 PolarHBondContact O-N 3.46Å; K822-S826 PolarHBondContact O-OG 3.5Å; I823-S826 PolarHBondContact O-N 2.98Å; I824-S826 PolarHBondContact O-N 2.88Å
827	A	84.6	Confident	85.1	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-25.7	179.8	0	0	0	0	0	112.9	S92 L95 R96 I823 I824 R825	S92-A827 WeakPolarHBondContact O-CA 3.28Å; S92-A827 WeakPolarHBondContact O-CB 3.2Å; L95-A827 HydrophobicContact CB-CB 4.1Å; L95-A827 HydrophobicContact CD2-CB 3.91Å; L95-A827 HydrophobicContact CG-CB 4.17Å; R96-A827 WeakPolarHBondContact CB-O 3.28Å; R96-A827 VanDerWaalsContact CD-O 3.3Å; R96-A827 WeakPolarHBondContact CD-O 3.34Å; R96-A827 WeakPolarHBondContact CG-O 3.39Å; I823-A827 PolarHBondContact O-N 3.3Å; I824-A827 WeakPolarHBondContact O-CB 3.41Å; I824-A827 PolarHBondContact O-N 2.76Å; R825-A827 VanDerWaalsContact C-N 3.29Å
828	F	81.8	Confident	84.7	Confident	84 Å²	84	41.1 Å²	41.1	37%	0.368	20%	0.195	S	C	.	.			trans	-115.4	0	-176.9	-62.4	-78.9	0	0	0	109.9	L95 T99 L311 I321 I824	L95-F828 HydrophobicContact CD2-CE2 4.26Å; T99-F828 HydrophobicContact CG2-CE1 4.48Å; L311-F828 HydrophobicContact CD2-CB 3.35Å; L311-F828 HydrophobicContact CD2-CD1 3.84Å; L311-F828 HydrophobicContact CD2-CD2 3.77Å; L311-F828 HydrophobicContact CD2-CG 3.38Å; L311-F828 HydrophobicContact CG-CB 4.28Å; I321-F828 WeakPolarHBondContact O-CZ 3.41Å; I824-F828 HydrophobicContact CG2-CE2 4.36Å; I824-F828 WeakPolarHBondContact O-CD2 3.44Å

Retrieved 828 of 828 residues in 2646.8 ms (Link to these results)

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