A0A096NBC7_PAPAN Loading...

FACT complex subunit SSRP1

Component of the FACT complex, a general chromatin factor that acts to reorganize nucleosomes. The FACT complex is involved in multiple processes that require DNA as a template such as mRNA elongation, DNA replication and DNA repair. During transcription elongation the FACT complex acts as a histone chaperone that both destabilizes and restores nucleosomal structure. It facilitates the passage of RNA polymerase II and transcription by promoting the dissociation of one histone H2A-H2B dimer from the nucleosome, then subsequently promotes the reestablishment of the nucleosome following the passage of RNA polymerase II.

AlphaFold DB (A0A2I3LQS5), UniProt , Accession A0A096NBC7, Species PAPAN (Papio anubis, Olive baboon), Gene SSRP1, Length 709 aa.

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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	53.9	Low	81.9	Confident	169 Å²	169	79.5 Å²	79.5	83%	0.833	41%	0.411	S	S	*	.				0	163.1	0	-57	-176.2	-159.9	0	0	108.6	T91	M1-T91 HydrophobicContact CE-CG2 4.08Å; M1-T91 WeakPolarHBondContact CE-OG1 3.44Å; M1-T91 HydrophobicContact SD-CG2 3.7Å; M1-T91 PolarHBondContact SD-OG1 3.25Å
2	A	61.2	Low	82.6	Confident	53 Å²	53	73.9 Å²	73.9	44%	0.438	38%	0.382	S	S	.	.			trans	-74.9	132.3	178.4	0	0	0	0	0	111.2	T4 L5 F88	A2-T4 PolarHBondContact O-N 2.62Å; A2-L5 HydrophobicContact CB-CD2 4.33Å; A2-F88 WeakPolarHBondContact O-CE2 3.44Å
3	E	75.3	Confident	82.8	Confident	135 Å²	135	72.1 Å²	72.1	63%	0.631	37%	0.37	S	S	*	.	S	Bend	trans	-72.7	-17.6	179.1	-59.5	-161.4	107.6	0	0	113.5	R27	E3-R27 IonicContact OE1-NH1 2.28Å
4	T	85.7	Confident	82.6	Confident	74 Å²	74	71.2 Å²	71.2	45%	0.454	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.9	174.6	-171.9	0	0	0	0	110.1	A2 L25	A2-T4 PolarHBondContact O-N 2.62Å; T4-L25 WeakPolarHBondContact CA-O 3.15Å; T4-L25 WeakPolarHBondContact CB-O 3.48Å; T4-L25 PolarHBondContact OG1-O 3.18Å
5	L	89	Confident	82	Confident	36 Å²	36	71 Å²	71	19%	0.188	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137	166.8	-68.8	172	0	0	0	108.3	A2 F7 R24 L25 L85 F88	A2-L5 HydrophobicContact CB-CD2 4.33Å; L5-F7 HydrophobicContact CB-CE2 3.94Å; L5-F7 HydrophobicContact CB-CZ 4.34Å; L5-R24 CarbonylContact O-C 3.6Å; L5-R24 WeakPolarHBondContact O-CA 3.45Å; L5-L25 HydrophobicContact CB-CB 4.23Å; L5-L25 HydrophobicContact CB-CD1 4.17Å; L5-L25 HydrophobicContact CB-CG 4.4Å; L5-L25 HydrophobicContact CD1-CD1 4.16Å; L5-L25 PolarHBondContact N-O 3.34Å; L5-L25 VanDerWaalsContact N-O 3.1Å; L5-L25 PolarHBondContact O-N 3.28Å; L5-L85 HydrophobicContact CD1-CD2 4.42Å; L5-F88 HydrophobicContact CD1-CB 3.86Å; L5-F88 HydrophobicContact CD1-CD2 3.7Å; L5-F88 HydrophobicContact CD1-CE2 4.45Å; L5-F88 HydrophobicContact CD1-CG 3.85Å; L5-F88 HydrophobicContact CG-CD2 3.87Å; L5-F88 HydrophobicContact CG-CE2 4.21Å; L5-F88 HydrophobicContact CG-CG 4.48Å
6	E	90.7	Very high	81.6	Confident	83 Å²	83	69.4 Å²	69.4	39%	0.388	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.3	176.9	-68.4	-149.3	87.3	0	0	111.3	R22 R24	E6-R22 IonicContact OE1-CZ 3.16Å; E6-R22 IonicContact OE1-NE 2.81Å; E6-R22 PolarHBondContact OE1-NE 3.3Å; E6-R22 IonicContact OE1-NH2 2.68Å; E6-R22 PolarHBondContact OE1-NH2 3.26Å; E6-R22 IonicContact OE2-CZ 3.94Å; E6-R22 IonicContact OE2-NH2 3.49Å; E6-R22 PolarHBondContact OE2-NH2 3.39Å; E6-R24 HydrophobicContact CG-CB 4.49Å; E6-R24 HydrophobicContact CG-CG 4.1Å; E6-R24 WeakPolarHBondContact OE1-CD 3.37Å; E6-R24 VanDerWaalsContact OE1-CG 3.25Å; E6-R24 WeakPolarHBondContact OE1-CG 3.23Å
7	F	90.1	Very high	81.6	Confident	24 Å²	24	65.8 Å²	65.8	11%	0.105	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.8	172	-50.3	-94.2	0	0	0	107.6	L5 I10 R22 L23 L25 F77 E81 L85	L5-F7 HydrophobicContact CB-CE2 3.94Å; L5-F7 HydrophobicContact CB-CZ 4.34Å; F7-I10 HydrophobicContact CB-CD1 4.21Å; F7-I10 HydrophobicContact CB-CG1 3.39Å; F7-I10 HydrophobicContact CG-CG1 4.24Å; F7-R22 CarbonylContact O-C 3.53Å; F7-R22 WeakPolarHBondContact O-CA 3.47Å; F7-L23 PolarHBondContact N-O 2.9Å; F7-L23 PolarHBondContact O-N 2.98Å; F7-L25 HydrophobicContact CE2-CD1 4.05Å; F7-L25 HydrophobicContact CE2-CG 4.43Å; F7-F77 HydrophobicContact CD1-CD1 4.24Å; F7-F77 HydrophobicContact CD1-CE1 4.2Å; F7-F77 HydrophobicContact CD2-CE1 4.13Å; F7-F77 HydrophobicContact CE1-CD1 4.23Å; F7-F77 HydrophobicContact CE1-CE1 4.29Å; F7-F77 HydrophobicContact CE2-CE1 4.22Å; F7-F77 HydrophobicContact CG-CE1 4.13Å; F7-F77 HydrophobicContact CZ-CE1 4.3Å; F7-E81 HydrophobicContact CE1-CB 4.46Å; F7-E81 HydrophobicContact CE1-CG 4.29Å; F7-L85 HydrophobicContact CE2-CD2 3.96Å; F7-L85 HydrophobicContact CZ-CD2 3.81Å; F7-L85 HydrophobicContact CZ-CG 4.34Å
8	N	86.3	Confident	81.8	Confident	77 Å²	77	66.3 Å²	66.3	41%	0.412	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-27.2	-173.9	-65.8	-67.4	0	0	0	113.4	R22	N8-R22 WeakPolarHBondContact OD1-CD 3.29Å; N8-R22 VanDerWaalsContact OD1-CZ 3.26Å; N8-R22 PolarHBondContact OD1-NE 2.98Å; N8-R22 PolarHBondContact OD1-NH1 3.48Å
9	D	86	Confident	82	Confident	133 Å²	133	64.2 Å²	64.2	71%	0.711	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	38.9	-166.4	-47.4	-62.8	0	0	0	111.4
10	I	92	Very high	82.4	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.7	-178.7	-67.3	-61.9	0	0	0	110.2	F7 G21 L23 Y74 F77	F7-I10 HydrophobicContact CB-CD1 4.21Å; F7-I10 HydrophobicContact CB-CG1 3.39Å; F7-I10 HydrophobicContact CG-CG1 4.24Å; I10-G21 PolarHBondContact N-O 3.09Å; I10-G21 PolarHBondContact O-N 3.05Å; I10-L23 HydrophobicContact CB-CB 4.28Å; I10-L23 HydrophobicContact CG1-CB 4.47Å; I10-L23 HydrophobicContact CG2-CB 4.27Å; I10-L23 HydrophobicContact CG2-CD2 4.3Å; I10-Y74 HydrophobicContact CG2-CD1 4.22Å; I10-Y74 HydrophobicContact CG2-CG 4.45Å; I10-F77 HydrophobicContact CD1-CD1 3.66Å; I10-F77 HydrophobicContact CD1-CD2 4.15Å; I10-F77 HydrophobicContact CD1-CE1 3.7Å; I10-F77 HydrophobicContact CD1-CE2 4.17Å; I10-F77 HydrophobicContact CD1-CG 3.9Å; I10-F77 HydrophobicContact CD1-CZ 3.97Å; I10-F77 HydrophobicContact CG1-CE1 4.14Å; I10-F77 HydrophobicContact CG1-CZ 4.31Å; I10-F77 HydrophobicContact CG2-CE2 4.45Å; I10-F77 HydrophobicContact CG2-CZ 4.28Å
11	Y	90.7	Very high	82.7	Confident	86 Å²	86	60.1 Å²	60.1	34%	0.337	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.6	176.9	-59.6	-89.4	0	0	0	111.3	M18 N19 D20 L58 Y74 D75	Y11-M18 VanDerWaalsContact CB-SD 3.55Å; Y11-M18 HydrophobicContact CD1-CG 3.83Å; Y11-M18 HydrophobicContact CG-CG 3.86Å; Y11-M18 HydrophobicContact CG-SD 4.41Å; Y11-N19 CarbonylContact C-O 3.57Å; Y11-N19 VanDerWaalsContact CA-O 3.31Å; Y11-N19 WeakPolarHBondContact CA-O 3.29Å; Y11-D20 HydrophobicContact CD1-CB 4.15Å; Y11-D20 HydrophobicContact CE1-CB 3.96Å; Y11-L58 HydrophobicContact CD2-CD1 3.6Å; Y11-L58 HydrophobicContact CE2-CD1 3.91Å; Y11-L58 HydrophobicContact CG-CD1 4.08Å; Y11-Y74 CarbonylContact O-C 3.57Å; Y11-Y74 VanDerWaalsContact O-CA 3.25Å; Y11-Y74 WeakPolarHBondContact O-CA 3.44Å; Y11-D75 PolarHBondContact N-O 2.8Å; Y11-D75 PolarHBondContact O-N 3.16Å
12	Q	89.9	Confident	84.4	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.2	168.6	-171.3	-171.9	18.5	0	0	108.8	V14 N19 F32 D41 K73 Y74	Q12-V14 HydrophobicContact CB-CG2 4.41Å; Q12-V14 HydrophobicContact CG-CG2 3.77Å; Q12-V14 PolarHBondContact O-N 3.18Å; Q12-N19 PolarHBondContact N-O 2.86Å; Q12-N19 PolarHBondContact O-N 3.36Å; Q12-N19 PolarHBondContact O-ND2 2.28Å; Q12-F32 HydrophobicContact CB-CD1 4.18Å; Q12-F32 HydrophobicContact CB-CE1 3.6Å; Q12-F32 HydrophobicContact CB-CE2 4.19Å; Q12-F32 HydrophobicContact CB-CZ 3.6Å; Q12-F32 HydrophobicContact CG-CD1 4.49Å; Q12-F32 HydrophobicContact CG-CE1 4.33Å; Q12-D41 PolarHBondContact NE2-OD2 2.95Å; Q12-K73 WeakPolarHBondContact CA-O 3.33Å; Q12-Y74 HydrophobicContact CB-CD1 4.19Å; Q12-Y74 HydrophobicContact CB-CE1 4.16Å; Q12-Y74 HydrophobicContact CG-CD1 4.27Å; Q12-Y74 HydrophobicContact CG-CE1 3.92Å
13	E	85.4	Confident	85.9	Confident	50 Å²	50	54.3 Å²	54.3	23%	0.234	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	111.5	171.4	-171.4	-90.4	101.9	0	0	108.7	K15 G16 M18 K73	E13-K15 WeakPolarHBondContact OE1-CA 3.49Å; E13-K15 PolarHBondContact OE1-N 2.93Å; E13-G16 PolarHBondContact OE1-N 3.19Å; E13-M18 HydrophobicContact CB-SD 4.19Å; E13-K73 HydrophobicContact CB-CB 4.03Å; E13-K73 HydrophobicContact CB-CD 4.31Å; E13-K73 PolarHBondContact N-O 2.87Å; E13-K73 WeakPolarHBondContact OE2-CD 3.11Å; E13-K73 WeakPolarHBondContact OE2-CE 3.33Å; E13-K73 IonicContact OE2-NZ 2.73Å; E13-K73 PolarHBondContact OE2-NZ 2.72Å
14	V	80.6	Confident	86.7	Confident	60 Å²	60	52.8 Å²	52.8	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	100.5	175.5	-174.2	0	0	0	0	108.2	Q12 G16 S17 N153	Q12-V14 HydrophobicContact CB-CG2 4.41Å; Q12-V14 HydrophobicContact CG-CG2 3.77Å; Q12-V14 PolarHBondContact O-N 3.18Å; V14-G16 VanDerWaalsContact C-N 3.29Å; V14-G16 PolarHBondContact O-N 2.73Å; V14-S17 PolarHBondContact N-O 2.73Å; V14-S17 PolarHBondContact O-N 3.38Å; V14-S17 PolarHBondContact O-OG 2.74Å; V14-N153 PolarHBondContact O-ND2 3.47Å
15	K	73.4	Confident	86.9	Confident	68 Å²	68	49.2 Å²	49.2	30%	0.296	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	43.1	173.5	-166.6	-171.3	170.6	-149	0	111.5	E13 S17 N135 H151 Q152 N153	E13-K15 WeakPolarHBondContact OE1-CA 3.49Å; E13-K15 PolarHBondContact OE1-N 2.93Å; K15-S17 VanDerWaalsContact C-N 3.26Å; K15-S17 PolarHBondContact O-N 3.29Å; K15-N135 HydrophobicContact CG-CB 4.41Å; K15-H151 WeakPolarHBondContact CE-O 3.43Å; K15-H151 PolarHBondContact NZ-O 2.79Å; K15-Q152 PolarHBondContact NZ-O 3.35Å; K15-Q152 VanDerWaalsContact NZ-O 3.09Å; K15-N153 HydrophobicContact CD-CB 4.32Å; K15-N153 HydrophobicContact CG-CB 4.39Å; K15-N153 PolarHBondContact O-ND2 2.86Å
16	G	75.9	Confident	87	Confident	45 Å²	45	49 Å²	49	46%	0.464	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-10.7	-176.8	0	0	0	0	0	115.7	E13 V14 A156	E13-G16 PolarHBondContact OE1-N 3.19Å; V14-G16 VanDerWaalsContact C-N 3.29Å; V14-G16 PolarHBondContact O-N 2.73Å; G16-A156 VanDerWaalsContact C-CB 3.48Å; G16-A156 VanDerWaalsContact O-CB 3.28Å; G16-A156 WeakPolarHBondContact O-CB 3.19Å
17	S	81.3	Confident	86.7	Confident	9 Å²	9	52.1 Å²	52.1	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.2	170.5	65.2	0	0	0	0	109.9	V14 K15 N19 N153 D155	V14-S17 PolarHBondContact N-O 2.73Å; V14-S17 PolarHBondContact O-N 3.38Å; V14-S17 PolarHBondContact O-OG 2.74Å; K15-S17 VanDerWaalsContact C-N 3.26Å; K15-S17 PolarHBondContact O-N 3.29Å; S17-N19 PolarHBondContact O-ND2 2.86Å; S17-N19 PolarHBondContact OG-ND2 3.24Å; S17-N153 PolarHBondContact OG-ND2 3.26Å; S17-D155 WeakPolarHBondContact CB-O 3.23Å
18	M	84.9	Confident	86.4	Confident	74 Å²	74	58.5 Å²	58.5	37%	0.365	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	104.1	-176.6	-162.2	60.2	100.3	0	0	108.8	Y11 E13 L58 D75	Y11-M18 VanDerWaalsContact CB-SD 3.55Å; Y11-M18 HydrophobicContact CD1-CG 3.83Å; Y11-M18 HydrophobicContact CG-CG 3.86Å; Y11-M18 HydrophobicContact CG-SD 4.41Å; E13-M18 HydrophobicContact CB-SD 4.19Å; M18-L58 HydrophobicContact CE-CD1 4.25Å; M18-L58 HydrophobicContact CG-CD1 4.28Å; M18-D75 HydrophobicContact CE-CB 4.11Å; M18-D75 WeakPolarHBondContact CE-OD2 2.82Å; M18-D75 HydrophobicContact SD-CB 4.39Å
19	N	86.1	Confident	86.5	Confident	26 Å²	26	54.8 Å²	54.8	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.9	-167.6	-65	-88.3	0	0	0	111	Y11 Q12 S17	Y11-N19 CarbonylContact C-O 3.57Å; Y11-N19 VanDerWaalsContact CA-O 3.31Å; Y11-N19 WeakPolarHBondContact CA-O 3.29Å; Q12-N19 PolarHBondContact N-O 2.86Å; Q12-N19 PolarHBondContact O-N 3.36Å; Q12-N19 PolarHBondContact O-ND2 2.28Å; S17-N19 PolarHBondContact O-ND2 2.86Å; S17-N19 PolarHBondContact OG-ND2 3.24Å
20	D	89.1	Confident	86.8	Confident	44 Å²	44	48.5 Å²	48.5	24%	0.235	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138	172.6	48.8	-62.9	0	0	0	112.3	Y11 S35 K36	Y11-D20 HydrophobicContact CD1-CB 4.15Å; Y11-D20 HydrophobicContact CE1-CB 3.96Å; D20-S35 WeakPolarHBondContact O-CB 3.48Å; D20-S35 PolarHBondContact O-N 2.7Å; D20-S35 VanDerWaalsContact OD2-CB 3.3Å; D20-S35 WeakPolarHBondContact OD2-CB 3.41Å; D20-K36 WeakPolarHBondContact OD1-CD 3.46Å; D20-K36 WeakPolarHBondContact OD1-CE 3.18Å; D20-K36 IonicContact OD1-NZ 3.61Å; D20-K36 PolarHBondContact OD1-NZ 2.78Å
21	G	89.2	Confident	86.8	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	168.5	177.1	0	0	0	0	0	114.6	I10 F32 K33	I10-G21 PolarHBondContact N-O 3.09Å; I10-G21 PolarHBondContact O-N 3.05Å; G21-F32 VanDerWaalsContact CA-CZ 3.41Å; G21-K33 CarbonylContact C-O 3.56Å; G21-K33 WeakPolarHBondContact CA-O 3.46Å
22	R	90.1	Very high	86.8	Confident	99 Å²	99	46 Å²	46	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.7	-178.2	-177.1	170.4	175.9	151.8	-4	109.9	E6 F7 N8 R24 K33	E6-R22 IonicContact OE1-CZ 3.16Å; E6-R22 IonicContact OE1-NE 2.81Å; E6-R22 PolarHBondContact OE1-NE 3.3Å; E6-R22 IonicContact OE1-NH2 2.68Å; E6-R22 PolarHBondContact OE1-NH2 3.26Å; E6-R22 IonicContact OE2-CZ 3.94Å; E6-R22 IonicContact OE2-NH2 3.49Å; E6-R22 PolarHBondContact OE2-NH2 3.39Å; F7-R22 CarbonylContact O-C 3.53Å; F7-R22 WeakPolarHBondContact O-CA 3.47Å; N8-R22 WeakPolarHBondContact OD1-CD 3.29Å; N8-R22 VanDerWaalsContact OD1-CZ 3.26Å; N8-R22 PolarHBondContact OD1-NE 2.98Å; N8-R22 PolarHBondContact OD1-NH1 3.48Å; R22-R24 HydrophobicContact CG-CG 4.11Å; R22-K33 PolarHBondContact N-O 2.92Å; R22-K33 PolarHBondContact O-N 3.33Å
23	L	92.6	Very high	86.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.5	174.7	-173.1	67.1	0	0	0	110	F7 I10 L25 I30 F32 Y74 F77	F7-L23 PolarHBondContact N-O 2.9Å; F7-L23 PolarHBondContact O-N 2.98Å; I10-L23 HydrophobicContact CB-CB 4.28Å; I10-L23 HydrophobicContact CG1-CB 4.47Å; I10-L23 HydrophobicContact CG2-CB 4.27Å; I10-L23 HydrophobicContact CG2-CD2 4.3Å; L23-L25 HydrophobicContact CD2-CD2 4.41Å; L23-L25 HydrophobicContact CG-CD2 4.37Å; L23-I30 HydrophobicContact CD1-CG2 3.61Å; L23-F32 HydrophobicContact CB-CD2 4.11Å; L23-F32 HydrophobicContact CD1-CB 3.93Å; L23-F32 HydrophobicContact CD1-CD2 4.08Å; L23-Y74 HydrophobicContact CD1-CD1 4.25Å; L23-Y74 HydrophobicContact CD1-CD2 4.42Å; L23-Y74 HydrophobicContact CD1-CE1 3.93Å; L23-Y74 HydrophobicContact CD1-CE2 4.08Å; L23-Y74 HydrophobicContact CD1-CG 4.49Å; L23-Y74 HydrophobicContact CD2-CD2 4.32Å; L23-Y74 HydrophobicContact CD2-CG 4.19Å; L23-F77 HydrophobicContact CD2-CE1 4.16Å; L23-F77 HydrophobicContact CD2-CZ 3.61Å
24	R	91.8	Very high	86.8	Confident	103 Å²	103	48.6 Å²	48.6	39%	0.389	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	116.6	179.4	-49.2	-169.9	-60.8	162	4.1	110	L5 E6 R22 I31	L5-R24 CarbonylContact O-C 3.6Å; L5-R24 WeakPolarHBondContact O-CA 3.45Å; E6-R24 HydrophobicContact CG-CB 4.49Å; E6-R24 HydrophobicContact CG-CG 4.1Å; E6-R24 WeakPolarHBondContact OE1-CD 3.37Å; E6-R24 VanDerWaalsContact OE1-CG 3.25Å; E6-R24 WeakPolarHBondContact OE1-CG 3.23Å; R22-R24 HydrophobicContact CG-CG 4.11Å; R24-I31 HydrophobicContact CB-CB 4.48Å; R24-I31 PolarHBondContact N-O 2.82Å; R24-I31 PolarHBondContact O-N 3.48Å
25	L	90.4	Very high	86.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	136.7	175.2	-49.1	178.7	0	0	0	108.6	T4 L5 F7 L23 I30 L85 F88 F89	T4-L25 WeakPolarHBondContact CA-O 3.15Å; T4-L25 WeakPolarHBondContact CB-O 3.48Å; T4-L25 PolarHBondContact OG1-O 3.18Å; L5-L25 HydrophobicContact CB-CB 4.23Å; L5-L25 HydrophobicContact CB-CD1 4.17Å; L5-L25 HydrophobicContact CB-CG 4.4Å; L5-L25 HydrophobicContact CD1-CD1 4.16Å; L5-L25 PolarHBondContact N-O 3.34Å; L5-L25 VanDerWaalsContact N-O 3.1Å; L5-L25 PolarHBondContact O-N 3.28Å; F7-L25 HydrophobicContact CE2-CD1 4.05Å; F7-L25 HydrophobicContact CE2-CG 4.43Å; L23-L25 HydrophobicContact CD2-CD2 4.41Å; L23-L25 HydrophobicContact CG-CD2 4.37Å; L25-I30 HydrophobicContact CD2-CB 4.2Å; L25-I30 HydrophobicContact CD2-CD1 3.86Å; L25-I30 HydrophobicContact CD2-CG1 3.65Å; L25-I30 HydrophobicContact CD2-CG2 3.79Å; L25-L85 HydrophobicContact CD1-CD2 3.35Å; L25-F88 HydrophobicContact CB-CD1 4.22Å; L25-F88 HydrophobicContact CB-CE1 3.65Å; L25-F88 HydrophobicContact CB-CZ 3.84Å; L25-F88 HydrophobicContact CD1-CD1 4.36Å; L25-F89 HydrophobicContact CD1-CE2 3.99Å; L25-F89 HydrophobicContact CD2-CE2 4.44Å
26	S	89.9	Confident	86.9	Confident	30 Å²	30	51.9 Å²	51.9	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.8	-179.9	74	0	0	0	0	110.3	Q28 G29 Y93	S26-Q28 PolarHBondContact O-N 2.58Å; S26-G29 PolarHBondContact N-O 2.93Å; S26-G29 PolarHBondContact O-N 2.9Å; S26-G29 PolarHBondContact OG-N 3Å; S26-G29 PolarHBondContact OG-O 2.96Å; S26-Y93 WeakPolarHBondContact O-CE1 3.39Å; S26-Y93 PolarHBondContact O-OH 2.86Å
27	R	84.3	Confident	86.5	Confident	150 Å²	150	52.1 Å²	52.1	57%	0.566	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.6	179.3	-64.2	-178.1	61	-170.1	-2.8	115.2	E3	E3-R27 IonicContact OE1-NH1 2.28Å
28	Q	84.4	Confident	86.3	Confident	157 Å²	157	52.5 Å²	52.5	73%	0.734	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-22.5	177.1	-69.1	179.3	-16.4	0	0	113.5	S26 A45	S26-Q28 PolarHBondContact O-N 2.58Å; Q28-A45 WeakPolarHBondContact O-CB 3.46Å; Q28-A45 PolarHBondContact O-N 3.32Å
29	G	88.4	Confident	86	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-174.4	-172.3	0	0	0	0	0	114.7	S26 I43 Y93	S26-G29 PolarHBondContact N-O 2.93Å; S26-G29 PolarHBondContact O-N 2.9Å; S26-G29 PolarHBondContact OG-N 3Å; S26-G29 PolarHBondContact OG-O 2.96Å; G29-I43 CarbonylContact C-O 3.6Å; G29-I43 WeakPolarHBondContact CA-O 3.15Å; G29-Y93 PolarHBondContact O-OH 2.9Å
30	I	91.5	Very high	85.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119	-168.7	-61.1	-179.3	0	0	0	109.2	L23 L25 N42 I43 L48 L64 Y74 F89 Y93	L23-I30 HydrophobicContact CD1-CG2 3.61Å; L25-I30 HydrophobicContact CD2-CB 4.2Å; L25-I30 HydrophobicContact CD2-CD1 3.86Å; L25-I30 HydrophobicContact CD2-CG1 3.65Å; L25-I30 HydrophobicContact CD2-CG2 3.79Å; I30-N42 CarbonylContact O-C 3.38Å; I30-N42 WeakPolarHBondContact O-CA 3.29Å; I30-I43 HydrophobicContact CB-CB 4.31Å; I30-I43 HydrophobicContact CB-CD1 4.45Å; I30-I43 HydrophobicContact CG2-CD1 4.36Å; I30-I43 PolarHBondContact N-O 2.89Å; I30-I43 PolarHBondContact O-N 3.37Å; I30-L48 HydrophobicContact CD1-CD1 3.87Å; I30-L48 HydrophobicContact CD1-CD2 4.46Å; I30-L64 HydrophobicContact CD1-CD1 3.35Å; I30-Y74 HydrophobicContact CG2-CE2 4.48Å; I30-F89 HydrophobicContact CD1-CE1 4.23Å; I30-F89 HydrophobicContact CD1-CE2 4.48Å; I30-F89 HydrophobicContact CD1-CZ 3.65Å; I30-Y93 HydrophobicContact CD1-CE2 3.91Å; I30-Y93 HydrophobicContact CG1-CE2 4.04Å; I30-Y93 WeakPolarHBondContact CG1-OH 3.38Å
31	I	92.3	Very high	85.8	Confident	36 Å²	36	53.7 Å²	53.7	19%	0.185	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.1	-175.3	-57	177	0	0	0	108.8	R24 V40 D41	R24-I31 HydrophobicContact CB-CB 4.48Å; R24-I31 PolarHBondContact N-O 2.82Å; R24-I31 PolarHBondContact O-N 3.48Å; I31-V40 HydrophobicContact CG2-CG1 3.49Å; I31-V40 VanDerWaalsContact CG2-CG1 3.49Å; I31-D41 CarbonylContact C-O 3.59Å; I31-D41 WeakPolarHBondContact CA-O 3.48Å
32	F	91.6	Very high	85.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.4	169.8	-178.2	-99.5	0	0	0	110	Q12 G21 L23 N34 V40 D41 Y74	Q12-F32 HydrophobicContact CB-CD1 4.18Å; Q12-F32 HydrophobicContact CB-CE1 3.6Å; Q12-F32 HydrophobicContact CB-CE2 4.19Å; Q12-F32 HydrophobicContact CB-CZ 3.6Å; Q12-F32 HydrophobicContact CG-CD1 4.49Å; Q12-F32 HydrophobicContact CG-CE1 4.33Å; G21-F32 VanDerWaalsContact CA-CZ 3.41Å; L23-F32 HydrophobicContact CB-CD2 4.11Å; L23-F32 HydrophobicContact CD1-CB 3.93Å; L23-F32 HydrophobicContact CD1-CD2 4.08Å; F32-N34 HydrophobicContact CE1-CB 4.15Å; F32-V40 WeakPolarHBondContact O-CA 3.37Å; F32-D41 PolarHBondContact N-O 2.84Å; F32-D41 PolarHBondContact O-N 2.91Å; F32-Y74 HydrophobicContact CB-CE1 3.8Å; F32-Y74 HydrophobicContact CD1-CE1 4.42Å; F32-Y74 HydrophobicContact CD2-CD1 4.08Å; F32-Y74 AromaticContact CD2-CE1 3.66Å; F32-Y74 HydrophobicContact CD2-CE1 3.66Å; F32-Y74 HydrophobicContact CE2-CD1 4.42Å; F32-Y74 HydrophobicContact CE2-CE1 4.33Å; F32-Y74 AromaticContact CG-CE1 3.7Å; F32-Y74 HydrophobicContact CG-CE1 3.7Å
33	K	89.4	Confident	85.7	Confident	107 Å²	107	53 Å²	53	47%	0.465	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	109.9	173.4	-178.4	-176.5	175.2	-167.2	0	109.9	G21 R22 S35 K39 V40	G21-K33 CarbonylContact C-O 3.56Å; G21-K33 WeakPolarHBondContact CA-O 3.46Å; R22-K33 PolarHBondContact N-O 2.92Å; R22-K33 PolarHBondContact O-N 3.33Å; K33-S35 PolarHBondContact O-N 3.1Å; K33-K39 WeakPolarHBondContact CA-O 3.45Å; K33-V40 HydrophobicContact CB-CG2 4.31Å; K33-V40 HydrophobicContact CG-CG2 4.07Å
34	N	86.4	Confident	85.5	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.059	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.5	173.4	-177.7	-53.6	0	0	0	110.1	F32 K36 T37 G38 K39	F32-N34 HydrophobicContact CE1-CB 4.15Å; N34-K36 WeakPolarHBondContact OD1-CB 3.33Å; N34-K36 PolarHBondContact OD1-N 3.18Å; N34-T37 PolarHBondContact OD1-N 2.83Å; N34-G38 VanDerWaalsContact O-CA 3.25Å; N34-G38 WeakPolarHBondContact O-CA 3.16Å; N34-G38 PolarHBondContact O-N 2.87Å; N34-K39 HydrophobicContact CB-CB 4.39Å; N34-K39 PolarHBondContact N-O 2.87Å
35	S	81.6	Confident	85.2	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-35.1	-175.9	-74.7	0	0	0	0	113.1	D20 K33	D20-S35 WeakPolarHBondContact O-CB 3.48Å; D20-S35 PolarHBondContact O-N 2.7Å; D20-S35 VanDerWaalsContact OD2-CB 3.3Å; D20-S35 WeakPolarHBondContact OD2-CB 3.41Å; K33-S35 PolarHBondContact O-N 3.1Å
36	K	73.3	Confident	85	Confident	138 Å²	138	55.7 Å²	55.7	60%	0.6	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-44.3	-178.1	-71.8	162.5	173.1	151.7	0	112.8	D20 N34	D20-K36 WeakPolarHBondContact OD1-CD 3.46Å; D20-K36 WeakPolarHBondContact OD1-CE 3.18Å; D20-K36 IonicContact OD1-NZ 3.61Å; D20-K36 PolarHBondContact OD1-NZ 2.78Å; N34-K36 WeakPolarHBondContact OD1-CB 3.33Å; N34-K36 PolarHBondContact OD1-N 3.18Å
37	T	68.6	Low	84.8	Confident	51 Å²	51	57 Å²	57	31%	0.313	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-15.6	-171	80	0	0	0	0	113.1	N34 K39 D260	N34-T37 PolarHBondContact OD1-N 2.83Å; T37-K39 PolarHBondContact O-N 3.1Å; T37-K39 VanDerWaalsContact OG1-CB 3.26Å; T37-K39 WeakPolarHBondContact OG1-CB 3.36Å; T37-K39 PolarHBondContact OG1-N 2.9Å; T37-D260 WeakPolarHBondContact CB-OD2 3.17Å; T37-D260 WeakPolarHBondContact CG2-OD1 3.38Å; T37-D260 PolarHBondContact OG1-OD2 2.89Å
38	G	76.3	Confident	84.9	Confident	17 Å²	17	50.5 Å²	50.5	18%	0.175	28%	0.275	C	S	.	.			trans	67.2	7	-174.7	0	0	0	0	0	114.1	N34	N34-G38 VanDerWaalsContact O-CA 3.25Å; N34-G38 WeakPolarHBondContact O-CA 3.16Å; N34-G38 PolarHBondContact O-N 2.87Å
39	K	79.1	Confident	85	Confident	54 Å²	54	46.2 Å²	46.2	24%	0.235	26%	0.26	C	S	.	.			trans	-58.4	137.6	171.1	-174.7	175.7	-172.1	168.2	0	109.4	K33 N34 T37 T237 L240 D260	K33-K39 WeakPolarHBondContact CA-O 3.45Å; N34-K39 HydrophobicContact CB-CB 4.39Å; N34-K39 PolarHBondContact N-O 2.87Å; T37-K39 PolarHBondContact O-N 3.1Å; T37-K39 VanDerWaalsContact OG1-CB 3.26Å; T37-K39 WeakPolarHBondContact OG1-CB 3.36Å; T37-K39 PolarHBondContact OG1-N 2.9Å; K39-T237 PolarHBondContact NZ-O 2.92Å; K39-L240 HydrophobicContact CB-CD2 4.44Å; K39-L240 HydrophobicContact CD-CD2 4.07Å; K39-L240 HydrophobicContact CG-CD2 4.04Å; K39-D260 PolarHBondContact NZ-O 3.17Å
40	V	84.5	Confident	84.9	Confident	81 Å²	81	49.1 Å²	49.1	49%	0.491	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	104.7	178.2	-177.9	0	0	0	0	107.8	I31 F32 K33	I31-V40 HydrophobicContact CG2-CG1 3.49Å; I31-V40 VanDerWaalsContact CG2-CG1 3.49Å; F32-V40 WeakPolarHBondContact O-CA 3.37Å; K33-V40 HydrophobicContact CB-CG2 4.31Å; K33-V40 HydrophobicContact CG-CG2 4.07Å
41	D	85.7	Confident	84.8	Confident	34 Å²	34	49.1 Å²	49.1	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.8	165.7	-71.9	-6.1	0	0	0	107.6	Q12 I31 F32	Q12-D41 PolarHBondContact NE2-OD2 2.95Å; I31-D41 CarbonylContact C-O 3.59Å; I31-D41 WeakPolarHBondContact CA-O 3.48Å; F32-D41 PolarHBondContact N-O 2.84Å; F32-D41 PolarHBondContact O-N 2.91Å
42	N	88.6	Confident	84.7	Confident	83 Å²	83	47.9 Å²	47.9	44%	0.444	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	107.2	-177.1	179.6	17.5	0	0	0	109	I30 Q44	I30-N42 CarbonylContact O-C 3.38Å; I30-N42 WeakPolarHBondContact O-CA 3.29Å; N42-Q44 PolarHBondContact ND2-NE2 2.8Å; N42-Q44 PolarHBondContact OD1-NE2 2.65Å; N42-Q44 VanDerWaalsContact OD1-NE2 3.08Å
43	I	89.3	Confident	84.7	Confident	1 Å²	1	48 Å²	48	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.4	-178.8	-49	163.6	0	0	0	107.5	G29 I30 E47 L48 T66 Y72 Y74	G29-I43 CarbonylContact C-O 3.6Å; G29-I43 WeakPolarHBondContact CA-O 3.15Å; I30-I43 HydrophobicContact CB-CB 4.31Å; I30-I43 HydrophobicContact CB-CD1 4.45Å; I30-I43 HydrophobicContact CG2-CD1 4.36Å; I30-I43 PolarHBondContact N-O 2.89Å; I30-I43 PolarHBondContact O-N 3.37Å; I43-E47 HydrophobicContact CG2-CB 4.37Å; I43-L48 HydrophobicContact CG2-CD2 3.86Å; I43-L48 HydrophobicContact CG2-CG 4.17Å; I43-T66 HydrophobicContact CG2-CG2 3.66Å; I43-Y72 HydrophobicContact CD1-CD1 3.78Å; I43-Y72 HydrophobicContact CD1-CD2 3.51Å; I43-Y72 HydrophobicContact CD1-CE1 4.09Å; I43-Y72 HydrophobicContact CD1-CE2 3.83Å; I43-Y72 HydrophobicContact CD1-CG 3.49Å; I43-Y72 VanDerWaalsContact CD1-CG 3.49Å; I43-Y72 HydrophobicContact CG1-CD1 4.32Å; I43-Y72 HydrophobicContact CG1-CD2 4.09Å; I43-Y72 HydrophobicContact CG1-CE1 4.11Å; I43-Y72 HydrophobicContact CG1-CE2 3.85Å; I43-Y72 HydrophobicContact CG1-CG 4.32Å; I43-Y74 HydrophobicContact CD1-CE2 4.47Å
44	Q	88.9	Confident	84.7	Confident	79 Å²	79	44.1 Å²	44.1	37%	0.369	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	147.6	178.9	-60.9	-58.1	-78.9	0	0	111.4	N42 G46 E47	N42-Q44 PolarHBondContact ND2-NE2 2.8Å; N42-Q44 PolarHBondContact OD1-NE2 2.65Å; N42-Q44 VanDerWaalsContact OD1-NE2 3.08Å; Q44-G46 PolarHBondContact O-N 3.3Å; Q44-G46 VanDerWaalsContact O-N 3.17Å; Q44-E47 HydrophobicContact CB-CG 4.06Å; Q44-E47 PolarHBondContact N-OE2 2.87Å; Q44-E47 WeakPolarHBondContact O-CB 3.4Å; Q44-E47 PolarHBondContact O-N 2.93Å
45	A	85.2	Confident	84.7	Confident	27 Å²	27	49.2 Å²	49.2	22%	0.223	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-51.3	-40.6	175.8	0	0	0	0	0	112.4	Q28 E47 Y93	Q28-A45 WeakPolarHBondContact O-CB 3.46Å; Q28-A45 PolarHBondContact O-N 3.32Å; A45-E47 VanDerWaalsContact C-N 3.3Å; A45-E47 PolarHBondContact O-N 3.23Å; A45-Y93 HydrophobicContact CB-CD1 3.55Å; A45-Y93 HydrophobicContact CB-CE1 3.79Å
46	G	85	Confident	84.9	Confident	53 Å²	53	48.2 Å²	48.2	55%	0.546	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-74.9	-8.6	178.3	0	0	0	0	0	115.7	Q44 K67	Q44-G46 PolarHBondContact O-N 3.3Å; Q44-G46 VanDerWaalsContact O-N 3.17Å; G46-K67 WeakPolarHBondContact O-CE 3.32Å; G46-K67 PolarHBondContact O-NZ 2.92Å
47	E	86.2	Confident	85.2	Confident	58 Å²	58	46.4 Å²	46.4	27%	0.271	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-89.5	-22.8	175.6	-70.4	178	124.4	0	0	112.9	I43 Q44 A45 T66 K67 N68	I43-E47 HydrophobicContact CG2-CB 4.37Å; Q44-E47 HydrophobicContact CB-CG 4.06Å; Q44-E47 PolarHBondContact N-OE2 2.87Å; Q44-E47 WeakPolarHBondContact O-CB 3.4Å; Q44-E47 PolarHBondContact O-N 2.93Å; A45-E47 VanDerWaalsContact C-N 3.3Å; A45-E47 PolarHBondContact O-N 3.23Å; E47-T66 HydrophobicContact CB-CG2 4.41Å; E47-T66 CarbonylContact O-C 3.58Å; E47-T66 WeakPolarHBondContact O-CA 3.35Å; E47-T66 WeakPolarHBondContact O-CB 3.39Å; E47-K67 PolarHBondContact O-N 2.92Å; E47-N68 PolarHBondContact OE1-ND2 2.91Å
48	L	86.9	Confident	85.8	Confident	14 Å²	14	48.2 Å²	48.2	7%	0.073	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.1	179.5	-66	167.9	0	0	0	111.3	I30 I43 L64 T66 F89 Y93 L95	I30-L48 HydrophobicContact CD1-CD1 3.87Å; I30-L48 HydrophobicContact CD1-CD2 4.46Å; I43-L48 HydrophobicContact CG2-CD2 3.86Å; I43-L48 HydrophobicContact CG2-CG 4.17Å; L48-L64 HydrophobicContact CD2-CB 3.99Å; L48-L64 HydrophobicContact CD2-CD1 4.03Å; L48-L64 HydrophobicContact CD2-CG 4.46Å; L48-T66 HydrophobicContact CD2-CG2 4.45Å; L48-F89 HydrophobicContact CD1-CE1 4.43Å; L48-Y93 HydrophobicContact CD1-CD2 3.96Å; L48-Y93 HydrophobicContact CD1-CE2 4.21Å; L48-Y93 HydrophobicContact CD1-CG 4.14Å; L48-L95 HydrophobicContact CB-CD2 4.27Å
49	T	86.1	Confident	86.3	Confident	67 Å²	67	48.7 Å²	48.7	41%	0.411	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-37.3	175.6	53.9	0	0	0	0	113.4	L65 K67	T49-L65 PolarHBondContact N-O 2.89Å; T49-L65 PolarHBondContact OG1-O 2.86Å; T49-K67 HydrophobicContact CG2-CB 4.22Å; T49-K67 HydrophobicContact CG2-CD 4.45Å; T49-K67 HydrophobicContact CG2-CG 3.32Å
50	E	86.7	Confident	86.8	Confident	60 Å²	60	47.1 Å²	47.1	28%	0.28	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	134.8	-171.2	179.3	-173.8	-162.4	0	0	109	I52 L65 M98	E50-I52 HydrophobicContact CG-CD1 4.46Å; E50-I52 HydrophobicContact CG-CG1 3.98Å; E50-I52 WeakPolarHBondContact OE1-CD1 3.14Å; E50-L65 HydrophobicContact CB-CB 4.28Å; E50-L65 HydrophobicContact CB-CD1 4.08Å; E50-L65 HydrophobicContact CG-CD1 4.12Å; E50-L65 PolarHBondContact O-N 3.18Å; E50-L65 WeakPolarHBondContact OE2-CD1 3.41Å; E50-M98 HydrophobicContact CG-CE 3.92Å; E50-M98 WeakPolarHBondContact OE1-CE 3.13Å
51	G	89.3	Confident	87.1	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.2	173.7	0	0	0	0	0	109.5	L97 M98	G51-L97 WeakPolarHBondContact O-CA 3.3Å; G51-M98 PolarHBondContact O-N 3.16Å
52	I	89.8	Confident	87.4	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.3	178	-51	-173.5	0	0	0	108.9	E50 K63 L65 M98 K100	E50-I52 HydrophobicContact CG-CD1 4.46Å; E50-I52 HydrophobicContact CG-CG1 3.98Å; E50-I52 WeakPolarHBondContact OE1-CD1 3.14Å; I52-K63 HydrophobicContact CB-CB 4.31Å; I52-K63 HydrophobicContact CB-CD 4.23Å; I52-K63 HydrophobicContact CD1-CD 3.93Å; I52-K63 HydrophobicContact CG1-CD 4.29Å; I52-K63 PolarHBondContact N-O 3.07Å; I52-K63 PolarHBondContact O-N 3.19Å; I52-L65 HydrophobicContact CD1-CD1 4.48Å; I52-M98 WeakPolarHBondContact CA-O 3.48Å; I52-K100 HydrophobicContact CG2-CB 3.69Å
53	W	91.4	Very high	87.4	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.9	166.8	-172.2	-114.1	0	0	0	109.2	H60 L62 F77 F82 L85 L97 M98 E99 K100	W53-H60 HydrophobicContact CD2-CB 4.36Å; W53-H60 AromaticContact CE2-CD2 3.87Å; W53-H60 AromaticContact CE2-CG 3.98Å; W53-H60 HydrophobicContact CH2-CB 3.78Å; W53-H60 HydrophobicContact CZ2-CB 3.38Å; W53-H60 AromaticContact CZ2-CG 3.8Å; W53-H60 HydrophobicContact CZ3-CB 4.37Å; W53-H60 AromaticContact NE1-CD2 3.48Å; W53-H60 PolarHBondContact NE1-CD2 2.74Å; W53-L62 HydrophobicContact CE3-CB 4.39Å; W53-L62 HydrophobicContact CE3-CD1 4.44Å; W53-L62 HydrophobicContact CZ3-CB 4.45Å; W53-F77 HydrophobicContact CH2-CB 3.5Å; W53-F77 VanDerWaalsContact CH2-CB 3.5Å; W53-F77 HydrophobicContact CH2-CG 4.05Å; W53-F77 HydrophobicContact CZ2-CB 4.49Å; W53-F77 HydrophobicContact CZ3-CB 3.91Å; W53-F77 HydrophobicContact CZ3-CD2 4.09Å; W53-F77 AromaticContact CZ3-CG 3.97Å; W53-F77 HydrophobicContact CZ3-CG 3.97Å; W53-F82 HydrophobicContact CB-CD2 4.05Å; W53-F82 HydrophobicContact CB-CE2 3.9Å; W53-F82 AromaticContact CD1-CD2 3.42Å; W53-F82 VanDerWaalsContact CD1-CD2 3.42Å; W53-F82 AromaticContact CD1-CE2 3.84Å; W53-F82 AromaticContact CD2-CD2 3.72Å; W53-F82 HydrophobicContact CD2-CD2 3.72Å; W53-F82 HydrophobicContact CD2-CE2 4.48Å; W53-F82 AromaticContact CE2-CD2 3.71Å; W53-F82 HydrophobicContact CE3-CD2 4.49Å; W53-F82 AromaticContact CG-CD2 3.51Å; W53-F82 HydrophobicContact CG-CD2 3.51Å; W53-F82 AromaticContact CG-CE2 3.86Å; W53-F82 HydrophobicContact CG-CE2 3.86Å; W53-F82 HydrophobicContact CZ2-CB 3.76Å; W53-F82 HydrophobicContact CZ2-CD2 4.41Å; W53-F82 AromaticContact NE1-CD2 3.55Å; W53-F82 AromaticContact NE1-CG 3.91Å; W53-L85 HydrophobicContact CE3-CD1 4.43Å; W53-L85 HydrophobicContact CH2-CD1 3.86Å; W53-L85 HydrophobicContact CZ3-CD1 3.49Å; W53-L85 VanDerWaalsContact CZ3-CD1 3.49Å; W53-L97 HydrophobicContact CE3-CD2 4.45Å; W53-M98 PolarHBondContact N-O 2.74Å; W53-E99 WeakPolarHBondContact O-CA 3.27Å; W53-K100 PolarHBondContact O-N 3.22Å
54	R	89.8	Confident	87.4	Confident	25 Å²	25	38 Å²	38	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.1	-178.1	59.3	173.5	-177.9	-153.3	-0.6	112.3	V56 H60 G61 K100 E130	R54-V56 HydrophobicContact CG-CG1 4.15Å; R54-H60 WeakPolarHBondContact O-CA 3.47Å; R54-G61 PolarHBondContact N-O 2.94Å; R54-G61 VanDerWaalsContact N-O 3.1Å; R54-G61 PolarHBondContact O-N 2.71Å; R54-K100 WeakPolarHBondContact CB-O 3.48Å; R54-E130 IonicContact CZ-OE2 3.42Å; R54-E130 IonicContact NH1-OE2 3.86Å; R54-E130 PolarHBondContact NH1-OE2 2.72Å
55	R	86.9	Confident	87.3	Confident	119 Å²	119	35.5 Å²	35.5	45%	0.449	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.9	168.3	-161.9	169.6	-64.1	-86	0.5	111	H60 E79 D101	R55-H60 PolarHBondContact NH1-CE1 3.4Å; R55-H60 PolarHBondContact NH1-NE2 2.76Å; R55-H60 PolarHBondContact NH2-NE2 2.85Å; R55-E79 IonicContact CZ-OE2 3.11Å; R55-E79 IonicContact NH1-OE2 2.64Å; R55-E79 PolarHBondContact NH1-OE2 2.92Å; R55-E79 IonicContact NH2-OE2 3.35Å; R55-E79 PolarHBondContact NH2-OE2 2.92Å; R55-D101 WeakPolarHBondContact CB-OD1 2.99Å; R55-D101 PolarHBondContact N-OD1 3.38Å
56	V	85.6	Confident	87.3	Confident	36 Å²	36	34.6 Å²	34.6	22%	0.218	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	176.9	-172.7	-83.2	0	0	0	0	110.3	R54 L58 G59 D75	R54-V56 HydrophobicContact CG-CG1 4.15Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 2.97Å; V56-G59 PolarHBondContact N-O 3Å; V56-G59 PolarHBondContact O-N 2.97Å; V56-G59 VanDerWaalsContact O-O 3.06Å; V56-D75 WeakPolarHBondContact CG2-OD1 3.15Å
57	A	79	Confident	87.1	Confident	101 Å²	101	39 Å²	39	84%	0.835	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-28	-170.1	0	0	0	0	0	114.3
58	L	81.2	Confident	86.4	Confident	88 Å²	88	40.5 Å²	40.5	46%	0.461	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	19.1	178.9	-54.2	175	0	0	0	112.8	Y11 M18 V56 D75	Y11-L58 HydrophobicContact CD2-CD1 3.6Å; Y11-L58 HydrophobicContact CE2-CD1 3.91Å; Y11-L58 HydrophobicContact CG-CD1 4.08Å; M18-L58 HydrophobicContact CE-CD1 4.25Å; M18-L58 HydrophobicContact CG-CD1 4.28Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 2.97Å; L58-D75 WeakPolarHBondContact CB-OD1 3.42Å
59	G	86.2	Confident	85.6	Confident	27 Å²	27	41 Å²	41	28%	0.278	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	119.3	-108	179.6	0	0	0	0	0	111.3	V56	V56-G59 PolarHBondContact N-O 3Å; V56-G59 PolarHBondContact O-N 2.97Å; V56-G59 VanDerWaalsContact O-O 3.06Å
60	H	90.5	Very high	85	Confident	22 Å²	22	41.7 Å²	41.7	10%	0.102	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151	175.9	-62.1	78.5	0	0	0	111.4	W53 R54 R55 G76 F77 E79	W53-H60 HydrophobicContact CD2-CB 4.36Å; W53-H60 AromaticContact CE2-CD2 3.87Å; W53-H60 AromaticContact CE2-CG 3.98Å; W53-H60 HydrophobicContact CH2-CB 3.78Å; W53-H60 HydrophobicContact CZ2-CB 3.38Å; W53-H60 AromaticContact CZ2-CG 3.8Å; W53-H60 HydrophobicContact CZ3-CB 4.37Å; W53-H60 AromaticContact NE1-CD2 3.48Å; W53-H60 PolarHBondContact NE1-CD2 2.74Å; R54-H60 WeakPolarHBondContact O-CA 3.47Å; R55-H60 PolarHBondContact NH1-CE1 3.4Å; R55-H60 PolarHBondContact NH1-NE2 2.76Å; R55-H60 PolarHBondContact NH2-NE2 2.85Å; H60-G76 PolarHBondContact O-N 2.88Å; H60-F77 HydrophobicContact CB-CB 4.32Å; H60-F77 PolarHBondContact N-O 3.08Å; H60-F77 WeakPolarHBondContact O-CB 3.25Å; H60-F77 WeakPolarHBondContact O-CD2 3.21Å; H60-F77 PolarHBondContact O-N 2.87Å; H60-E79 WeakPolarHBondContact CE1-CB 3.19Å; H60-E79 WeakPolarHBondContact CE1-CG 3.42Å; H60-E79 IonicContact CE1-OE2 3.19Å; H60-E79 PolarHBondContact CE1-OE2 3.17Å; H60-E79 WeakPolarHBondContact NE2-CG 3.38Å; H60-E79 IonicContact NE2-OE2 3.07Å; H60-E79 PolarHBondContact NE2-OE2 2.75Å
61	G	90.5	Very high	84.9	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.1	-173.5	0	0	0	0	0	111.7	R54 Y74	R54-G61 PolarHBondContact N-O 2.94Å; R54-G61 VanDerWaalsContact N-O 3.1Å; R54-G61 PolarHBondContact O-N 2.71Å; G61-Y74 CarbonylContact C-O 3.42Å; G61-Y74 WeakPolarHBondContact CA-O 3.04Å
62	L	91.3	Very high	84.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.5	176.3	-176.4	61.1	0	0	0	108.9	W53 L64 Y74 F77 F89 L97	W53-L62 HydrophobicContact CE3-CB 4.39Å; W53-L62 HydrophobicContact CE3-CD1 4.44Å; W53-L62 HydrophobicContact CZ3-CB 4.45Å; L62-L64 HydrophobicContact CD1-CD2 3.76Å; L62-L64 HydrophobicContact CD2-CD1 4.41Å; L62-L64 HydrophobicContact CD2-CD2 4.13Å; L62-L64 HydrophobicContact CD2-CG 4.41Å; L62-L64 HydrophobicContact CG-CD2 3.7Å; L62-L64 HydrophobicContact CG-CG 4.03Å; L62-Y74 PolarHBondContact N-O 3.36Å; L62-Y74 PolarHBondContact O-N 2.65Å; L62-F77 HydrophobicContact CB-CD2 4.21Å; L62-F77 HydrophobicContact CB-CE2 3.56Å; L62-F77 HydrophobicContact CB-CZ 4.08Å; L62-F77 HydrophobicContact CD2-CZ 4.39Å; L62-F89 HydrophobicContact CD2-CE2 4.14Å; L62-F89 HydrophobicContact CD2-CZ 3.87Å; L62-L97 HydrophobicContact CD1-CD2 3.77Å; L62-L97 HydrophobicContact CD1-CG 4.11Å
63	K	90.1	Very high	84.8	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.8	172.7	178.7	-146.6	178.7	-168.8	0	108.5	I52 L65 V71 Y72 K73 E130	I52-K63 HydrophobicContact CB-CB 4.31Å; I52-K63 HydrophobicContact CB-CD 4.23Å; I52-K63 HydrophobicContact CD1-CD 3.93Å; I52-K63 HydrophobicContact CG1-CD 4.29Å; I52-K63 PolarHBondContact N-O 3.07Å; I52-K63 PolarHBondContact O-N 3.19Å; K63-L65 HydrophobicContact CD-CD1 3.9Å; K63-L65 VanDerWaalsContact CE-CD1 3.5Å; K63-L65 HydrophobicContact CG-CD1 4.28Å; K63-V71 HydrophobicContact CD-CG1 4.27Å; K63-V71 HydrophobicContact CG-CG1 3.72Å; K63-Y72 CarbonylContact C-O 3.57Å; K63-Y72 WeakPolarHBondContact CA-O 3.45Å; K63-K73 HydrophobicContact CG-CG 4.47Å; K63-E130 WeakPolarHBondContact CD-OE2 3.07Å; K63-E130 WeakPolarHBondContact CE-OE1 3.48Å; K63-E130 WeakPolarHBondContact CE-OE2 3.4Å; K63-E130 IonicContact NZ-OE1 2.73Å; K63-E130 PolarHBondContact NZ-OE1 2.84Å; K63-E130 IonicContact NZ-OE2 3.19Å; K63-E130 PolarHBondContact NZ-OE2 2.82Å
64	L	89.8	Confident	84.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.5	178.1	-56.8	-177.6	0	0	0	110.1	I30 L48 L62 V71 Y72 Y74 F89	I30-L64 HydrophobicContact CD1-CD1 3.35Å; L48-L64 HydrophobicContact CD2-CB 3.99Å; L48-L64 HydrophobicContact CD2-CD1 4.03Å; L48-L64 HydrophobicContact CD2-CG 4.46Å; L62-L64 HydrophobicContact CD1-CD2 3.76Å; L62-L64 HydrophobicContact CD2-CD1 4.41Å; L62-L64 HydrophobicContact CD2-CD2 4.13Å; L62-L64 HydrophobicContact CD2-CG 4.41Å; L62-L64 HydrophobicContact CG-CD2 3.7Å; L62-L64 HydrophobicContact CG-CG 4.03Å; L64-V71 CarbonylContact O-C 3.47Å; L64-V71 WeakPolarHBondContact O-CA 3.17Å; L64-Y72 PolarHBondContact N-O 3Å; L64-Y72 PolarHBondContact O-N 3.2Å; L64-Y74 HydrophobicContact CD1-CD2 4.44Å; L64-Y74 HydrophobicContact CD1-CE2 4.16Å; L64-F89 HydrophobicContact CD1-CE1 4.43Å; L64-F89 HydrophobicContact CD1-CZ 4.17Å; L64-F89 HydrophobicContact CD2-CE1 3.67Å; L64-F89 HydrophobicContact CD2-CZ 3.94Å
65	L	85.9	Confident	84.9	Confident	26 Å²	26	42.5 Å²	42.5	14%	0.136	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148.5	170.2	-62.1	83.5	0	0	0	110	T49 E50 I52 K63 V71	T49-L65 PolarHBondContact N-O 2.89Å; T49-L65 PolarHBondContact OG1-O 2.86Å; E50-L65 HydrophobicContact CB-CB 4.28Å; E50-L65 HydrophobicContact CB-CD1 4.08Å; E50-L65 HydrophobicContact CG-CD1 4.12Å; E50-L65 PolarHBondContact O-N 3.18Å; E50-L65 WeakPolarHBondContact OE2-CD1 3.41Å; I52-L65 HydrophobicContact CD1-CD1 4.48Å; K63-L65 HydrophobicContact CD-CD1 3.9Å; K63-L65 VanDerWaalsContact CE-CD1 3.5Å; K63-L65 HydrophobicContact CG-CD1 4.28Å; L65-V71 HydrophobicContact CD2-CG2 4.19Å; L65-V71 HydrophobicContact CG-CG1 4.36Å; L65-V71 HydrophobicContact CG-CG2 4.04Å
66	T	85.4	Confident	85.1	Confident	7 Å²	7	38 Å²	38	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.6	177.6	59.2	0	0	0	0	111.8	I43 E47 L48 N68 G69 H70 Y72	I43-T66 HydrophobicContact CG2-CG2 3.66Å; E47-T66 HydrophobicContact CB-CG2 4.41Å; E47-T66 CarbonylContact O-C 3.58Å; E47-T66 WeakPolarHBondContact O-CA 3.35Å; E47-T66 WeakPolarHBondContact O-CB 3.39Å; L48-T66 HydrophobicContact CD2-CG2 4.45Å; T66-N68 PolarHBondContact O-N 2.95Å; T66-G69 PolarHBondContact O-N 2.83Å; T66-H70 PolarHBondContact N-O 2.66Å; T66-H70 VanDerWaalsContact N-O 3.11Å; T66-H70 PolarHBondContact OG1-N 2.82Å; T66-H70 PolarHBondContact OG1-O 2.9Å; T66-Y72 HydrophobicContact CG2-CD2 4.13Å; T66-Y72 HydrophobicContact CG2-CE2 3.86Å
67	K	80.7	Confident	85.4	Confident	146 Å²	146	36.4 Å²	36.4	64%	0.635	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.3	174.6	-66.2	175.8	-177.1	166.6	0	112.9	G46 E47 T49 G69	G46-K67 WeakPolarHBondContact O-CE 3.32Å; G46-K67 PolarHBondContact O-NZ 2.92Å; E47-K67 PolarHBondContact O-N 2.92Å; T49-K67 HydrophobicContact CG2-CB 4.22Å; T49-K67 HydrophobicContact CG2-CD 4.45Å; T49-K67 HydrophobicContact CG2-CG 3.32Å; K67-G69 PolarHBondContact O-N 3.41Å
68	N	70.2	Confident	85.9	Confident	90 Å²	90	39.9 Å²	39.9	48%	0.481	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.5	178.4	-58.4	-28.1	0	0	0	113.3	E47 T66 H70	E47-N68 PolarHBondContact OE1-ND2 2.91Å; T66-N68 PolarHBondContact O-N 2.95Å; N68-H70 PolarHBondContact O-N 3.48Å
69	G	70.2	Confident	86.2	Confident	23 Å²	23	41 Å²	41	24%	0.237	21%	0.206	C	C	.	.	S	Bend	trans	79.4	-7.5	-177.8	0	0	0	0	0	115	T66 K67	T66-G69 PolarHBondContact O-N 2.83Å; K67-G69 PolarHBondContact O-N 3.41Å
70	H	75.3	Confident	86.4	Confident	82 Å²	82	43.6 Å²	43.6	38%	0.38	22%	0.22	S	C	.	.			trans	-68.6	137	173.7	-58.4	150.6	0	0	0	111	T66 N68 Y72	T66-H70 PolarHBondContact N-O 2.66Å; T66-H70 VanDerWaalsContact N-O 3.11Å; T66-H70 PolarHBondContact OG1-N 2.82Å; T66-H70 PolarHBondContact OG1-O 2.9Å; N68-H70 PolarHBondContact O-N 3.48Å; H70-Y72 HydrophobicContact CB-CD2 4.48Å; H70-Y72 HydrophobicContact CB-CE2 3.77Å
71	V	83	Confident	86.3	Confident	32 Å²	32	44 Å²	44	19%	0.194	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	111.6	179.2	-176	0	0	0	0	109.2	K63 L64 L65 K73 L118	K63-V71 HydrophobicContact CD-CG1 4.27Å; K63-V71 HydrophobicContact CG-CG1 3.72Å; L64-V71 CarbonylContact O-C 3.47Å; L64-V71 WeakPolarHBondContact O-CA 3.17Å; L65-V71 HydrophobicContact CD2-CG2 4.19Å; L65-V71 HydrophobicContact CG-CG1 4.36Å; L65-V71 HydrophobicContact CG-CG2 4.04Å; V71-K73 HydrophobicContact CG1-CG 4.33Å; V71-L118 HydrophobicContact CG2-CD1 4.16Å; V71-L118 HydrophobicContact CG2-CD2 4.39Å
72	Y	87.7	Confident	86.3	Confident	46 Å²	46	45.4 Å²	45.4	18%	0.18	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.3	177.2	-62.1	-95.1	0	0	0	108.8	I43 K63 L64 T66 H70	I43-Y72 HydrophobicContact CD1-CD1 3.78Å; I43-Y72 HydrophobicContact CD1-CD2 3.51Å; I43-Y72 HydrophobicContact CD1-CE1 4.09Å; I43-Y72 HydrophobicContact CD1-CE2 3.83Å; I43-Y72 HydrophobicContact CD1-CG 3.49Å; I43-Y72 VanDerWaalsContact CD1-CG 3.49Å; I43-Y72 HydrophobicContact CG1-CD1 4.32Å; I43-Y72 HydrophobicContact CG1-CD2 4.09Å; I43-Y72 HydrophobicContact CG1-CE1 4.11Å; I43-Y72 HydrophobicContact CG1-CE2 3.85Å; I43-Y72 HydrophobicContact CG1-CG 4.32Å; K63-Y72 CarbonylContact C-O 3.57Å; K63-Y72 WeakPolarHBondContact CA-O 3.45Å; L64-Y72 PolarHBondContact N-O 3Å; L64-Y72 PolarHBondContact O-N 3.2Å; T66-Y72 HydrophobicContact CG2-CD2 4.13Å; T66-Y72 HydrophobicContact CG2-CE2 3.86Å; H70-Y72 HydrophobicContact CB-CD2 4.48Å; H70-Y72 HydrophobicContact CB-CE2 3.77Å
73	K	89.3	Confident	86.2	Confident	23 Å²	23	51.5 Å²	51.5	10%	0.1	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	105.7	-177	-64.6	173	-178.5	-175.7	0	108.8	Q12 E13 K63 V71 E130	Q12-K73 WeakPolarHBondContact CA-O 3.33Å; E13-K73 HydrophobicContact CB-CB 4.03Å; E13-K73 HydrophobicContact CB-CD 4.31Å; E13-K73 PolarHBondContact N-O 2.87Å; E13-K73 WeakPolarHBondContact OE2-CD 3.11Å; E13-K73 WeakPolarHBondContact OE2-CE 3.33Å; E13-K73 IonicContact OE2-NZ 2.73Å; E13-K73 PolarHBondContact OE2-NZ 2.72Å; K63-K73 HydrophobicContact CG-CG 4.47Å; V71-K73 HydrophobicContact CG1-CG 4.33Å; K73-E130 PolarHBondContact NZ-O 2.74Å
74	Y	92.5	Very high	86.2	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.7	174.4	-58.5	-66.2	0	0	0	110.2	I10 Y11 Q12 L23 I30 F32 I43 G61 L62 L64	I10-Y74 HydrophobicContact CG2-CD1 4.22Å; I10-Y74 HydrophobicContact CG2-CG 4.45Å; Y11-Y74 CarbonylContact O-C 3.57Å; Y11-Y74 VanDerWaalsContact O-CA 3.25Å; Y11-Y74 WeakPolarHBondContact O-CA 3.44Å; Q12-Y74 HydrophobicContact CB-CD1 4.19Å; Q12-Y74 HydrophobicContact CB-CE1 4.16Å; Q12-Y74 HydrophobicContact CG-CD1 4.27Å; Q12-Y74 HydrophobicContact CG-CE1 3.92Å; L23-Y74 HydrophobicContact CD1-CD1 4.25Å; L23-Y74 HydrophobicContact CD1-CD2 4.42Å; L23-Y74 HydrophobicContact CD1-CE1 3.93Å; L23-Y74 HydrophobicContact CD1-CE2 4.08Å; L23-Y74 HydrophobicContact CD1-CG 4.49Å; L23-Y74 HydrophobicContact CD2-CD2 4.32Å; L23-Y74 HydrophobicContact CD2-CG 4.19Å; I30-Y74 HydrophobicContact CG2-CE2 4.48Å; F32-Y74 HydrophobicContact CB-CE1 3.8Å; F32-Y74 HydrophobicContact CD1-CE1 4.42Å; F32-Y74 HydrophobicContact CD2-CD1 4.08Å; F32-Y74 AromaticContact CD2-CE1 3.66Å; F32-Y74 HydrophobicContact CD2-CE1 3.66Å; F32-Y74 HydrophobicContact CE2-CD1 4.42Å; F32-Y74 HydrophobicContact CE2-CE1 4.33Å; F32-Y74 AromaticContact CG-CE1 3.7Å; F32-Y74 HydrophobicContact CG-CE1 3.7Å; I43-Y74 HydrophobicContact CD1-CE2 4.47Å; G61-Y74 CarbonylContact C-O 3.42Å; G61-Y74 WeakPolarHBondContact CA-O 3.04Å; L62-Y74 PolarHBondContact N-O 3.36Å; L62-Y74 PolarHBondContact O-N 2.65Å; L64-Y74 HydrophobicContact CD1-CD2 4.44Å; L64-Y74 HydrophobicContact CD1-CE2 4.16Å
75	D	91.9	Very high	86.2	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.9	-174.5	-161.4	-11.9	0	0	0	110.2	Y11 M18 V56 L58	Y11-D75 PolarHBondContact N-O 2.8Å; Y11-D75 PolarHBondContact O-N 3.16Å; M18-D75 HydrophobicContact CE-CB 4.11Å; M18-D75 WeakPolarHBondContact CE-OD2 2.82Å; M18-D75 HydrophobicContact SD-CB 4.39Å; V56-D75 WeakPolarHBondContact CG2-OD1 3.15Å; L58-D75 WeakPolarHBondContact CB-OD1 3.42Å
76	G	90.4	Very high	86.5	Confident	24 Å²	24	56.7 Å²	56.7	25%	0.247	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.3	11.1	-177.6	0	0	0	0	0	115.9	H60	H60-G76 PolarHBondContact O-N 2.88Å
77	F	91.9	Very high	86.7	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	157.8	175.7	-59.5	-85.7	0	0	0	112.4	F7 I10 L23 W53 H60 L62 E81 L85	F7-F77 HydrophobicContact CD1-CD1 4.24Å; F7-F77 HydrophobicContact CD1-CE1 4.2Å; F7-F77 HydrophobicContact CD2-CE1 4.13Å; F7-F77 HydrophobicContact CE1-CD1 4.23Å; F7-F77 HydrophobicContact CE1-CE1 4.29Å; F7-F77 HydrophobicContact CE2-CE1 4.22Å; F7-F77 HydrophobicContact CG-CE1 4.13Å; F7-F77 HydrophobicContact CZ-CE1 4.3Å; I10-F77 HydrophobicContact CD1-CD1 3.66Å; I10-F77 HydrophobicContact CD1-CD2 4.15Å; I10-F77 HydrophobicContact CD1-CE1 3.7Å; I10-F77 HydrophobicContact CD1-CE2 4.17Å; I10-F77 HydrophobicContact CD1-CG 3.9Å; I10-F77 HydrophobicContact CD1-CZ 3.97Å; I10-F77 HydrophobicContact CG1-CE1 4.14Å; I10-F77 HydrophobicContact CG1-CZ 4.31Å; I10-F77 HydrophobicContact CG2-CE2 4.45Å; I10-F77 HydrophobicContact CG2-CZ 4.28Å; L23-F77 HydrophobicContact CD2-CE1 4.16Å; L23-F77 HydrophobicContact CD2-CZ 3.61Å; W53-F77 HydrophobicContact CH2-CB 3.5Å; W53-F77 VanDerWaalsContact CH2-CB 3.5Å; W53-F77 HydrophobicContact CH2-CG 4.05Å; W53-F77 HydrophobicContact CZ2-CB 4.49Å; W53-F77 HydrophobicContact CZ3-CB 3.91Å; W53-F77 HydrophobicContact CZ3-CD2 4.09Å; W53-F77 AromaticContact CZ3-CG 3.97Å; W53-F77 HydrophobicContact CZ3-CG 3.97Å; H60-F77 HydrophobicContact CB-CB 4.32Å; H60-F77 PolarHBondContact N-O 3.08Å; H60-F77 WeakPolarHBondContact O-CB 3.25Å; H60-F77 WeakPolarHBondContact O-CD2 3.21Å; H60-F77 PolarHBondContact O-N 2.87Å; L62-F77 HydrophobicContact CB-CD2 4.21Å; L62-F77 HydrophobicContact CB-CE2 3.56Å; L62-F77 HydrophobicContact CB-CZ 4.08Å; L62-F77 HydrophobicContact CD2-CZ 4.39Å; F77-E81 WeakPolarHBondContact CA-OE2 3.39Å; F77-L85 HydrophobicContact CD1-CD1 4.01Å; F77-L85 HydrophobicContact CE1-CD1 4.12Å
78	R	90.5	Very high	87.1	Confident	173 Å²	173	54.3 Å²	54.3	65%	0.653	27%	0.274	S	S	*	.			trans	-97.2	150	175.2	-52.2	-179.1	-174.5	-161.6	1.1	110.8	S80 E81	R78-S80 PolarHBondContact O-N 2.84Å; R78-S80 VanDerWaalsContact O-N 3.16Å; R78-E81 HydrophobicContact CB-CG 4.16Å; R78-E81 PolarHBondContact N-OE2 2.91Å; R78-E81 WeakPolarHBondContact O-CB 3.25Å; R78-E81 PolarHBondContact O-N 2.86Å
79	E	87.6	Confident	88.1	Confident	113 Å²	113	50 Å²	50	53%	0.528	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-54.7	-37.9	177.1	-149.4	161.5	106.9	0	0	112	R55 H60 E81 F82	R55-E79 IonicContact CZ-OE2 3.11Å; R55-E79 IonicContact NH1-OE2 2.64Å; R55-E79 PolarHBondContact NH1-OE2 2.92Å; R55-E79 IonicContact NH2-OE2 3.35Å; R55-E79 PolarHBondContact NH2-OE2 2.92Å; H60-E79 WeakPolarHBondContact CE1-CB 3.19Å; H60-E79 WeakPolarHBondContact CE1-CG 3.42Å; H60-E79 IonicContact CE1-OE2 3.19Å; H60-E79 PolarHBondContact CE1-OE2 3.17Å; H60-E79 WeakPolarHBondContact NE2-CG 3.38Å; H60-E79 IonicContact NE2-OE2 3.07Å; H60-E79 PolarHBondContact NE2-OE2 2.75Å; E79-E81 PolarHBondContact O-N 2.82Å; E79-F82 WeakPolarHBondContact O-CB 3.2Å; E79-F82 PolarHBondContact O-N 3.35Å
80	S	89	Confident	89	Confident	80 Å²	80	54.2 Å²	54.2	56%	0.559	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-70.4	6.7	175	62.1	0	0	0	0	116.1	R78 K84	R78-S80 PolarHBondContact O-N 2.84Å; R78-S80 VanDerWaalsContact O-N 3.16Å; S80-K84 WeakPolarHBondContact O-CE 3.49Å; S80-K84 PolarHBondContact O-NZ 2.93Å
81	E	89.1	Confident	89.6	Confident	32 Å²	32	53.3 Å²	53.3	15%	0.15	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-106.6	-14	174.7	-62.1	172.3	150.5	0	0	111.7	F7 F77 R78 E79 K84 L85	F7-E81 HydrophobicContact CE1-CB 4.46Å; F7-E81 HydrophobicContact CE1-CG 4.29Å; F77-E81 WeakPolarHBondContact CA-OE2 3.39Å; R78-E81 HydrophobicContact CB-CG 4.16Å; R78-E81 PolarHBondContact N-OE2 2.91Å; R78-E81 WeakPolarHBondContact O-CB 3.25Å; R78-E81 PolarHBondContact O-N 2.86Å; E79-E81 PolarHBondContact O-N 2.82Å; E81-K84 PolarHBondContact O-N 2.85Å; E81-L85 HydrophobicContact CB-CD1 4.44Å; E81-L85 WeakPolarHBondContact O-CB 3.39Å; E81-L85 VanDerWaalsContact O-CG 3.29Å; E81-L85 WeakPolarHBondContact O-CG 3.35Å; E81-L85 PolarHBondContact O-N 2.89Å
82	F	89.9	Confident	89.7	Confident	30 Å²	30	53.9 Å²	53.9	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-54.2	-56.6	178	176.5	-109.6	0	0	0	112.4	W53 E79 K84 L85 S86 L97 E99	W53-F82 HydrophobicContact CB-CD2 4.05Å; W53-F82 HydrophobicContact CB-CE2 3.9Å; W53-F82 AromaticContact CD1-CD2 3.42Å; W53-F82 VanDerWaalsContact CD1-CD2 3.42Å; W53-F82 AromaticContact CD1-CE2 3.84Å; W53-F82 AromaticContact CD2-CD2 3.72Å; W53-F82 HydrophobicContact CD2-CD2 3.72Å; W53-F82 HydrophobicContact CD2-CE2 4.48Å; W53-F82 AromaticContact CE2-CD2 3.71Å; W53-F82 HydrophobicContact CE3-CD2 4.49Å; W53-F82 AromaticContact CG-CD2 3.51Å; W53-F82 HydrophobicContact CG-CD2 3.51Å; W53-F82 AromaticContact CG-CE2 3.86Å; W53-F82 HydrophobicContact CG-CE2 3.86Å; W53-F82 HydrophobicContact CZ2-CB 3.76Å; W53-F82 HydrophobicContact CZ2-CD2 4.41Å; W53-F82 AromaticContact NE1-CD2 3.55Å; W53-F82 AromaticContact NE1-CG 3.91Å; E79-F82 WeakPolarHBondContact O-CB 3.2Å; E79-F82 PolarHBondContact O-N 3.35Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 PolarHBondContact O-N 3.11Å; F82-L85 CarbonylContact O-C 3.58Å; F82-L85 PolarHBondContact O-N 3.24Å; F82-L85 VanDerWaalsContact O-N 3.09Å; F82-S86 WeakPolarHBondContact O-CB 3.37Å; F82-S86 PolarHBondContact O-N 3.41Å; F82-L97 HydrophobicContact CD2-CD2 4.36Å; F82-L97 HydrophobicContact CE2-CB 3.92Å; F82-L97 HydrophobicContact CE2-CD2 4.26Å; F82-E99 HydrophobicContact CE1-CG 4.41Å; F82-E99 HydrophobicContact CE2-CG 3.85Å; F82-E99 HydrophobicContact CZ-CG 3.69Å
83	E	90.1	Very high	89.6	Confident	129 Å²	129	53 Å²	53	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-55.4	-44.7	-179.5	-62.9	-63.4	168.5	0	0	112	L85 S86 D87	E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.92Å; E83-S86 PolarHBondContact O-N 2.92Å; E83-D87 WeakPolarHBondContact O-CB 3.33Å; E83-D87 PolarHBondContact O-N 2.91Å
84	K	90.3	Very high	89.4	Confident	119 Å²	119	62.9 Å²	62.9	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-36.4	-179.6	-59	170.8	-172.1	152.7	0	112.1	S80 E81 F82 F88	S80-K84 WeakPolarHBondContact O-CE 3.49Å; S80-K84 PolarHBondContact O-NZ 2.93Å; E81-K84 PolarHBondContact O-N 2.85Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 PolarHBondContact O-N 3.11Å; K84-F88 VanDerWaalsContact O-CB 3.29Å; K84-F88 WeakPolarHBondContact O-CB 3.38Å; K84-F88 PolarHBondContact O-N 2.87Å
85	L	90.3	Very high	89.1	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74	-42.7	175.4	-70.2	169.6	0	0	0	110.9	L5 F7 L25 W53 F77 E81 F82 E83 F88 F89 L97	L5-L85 HydrophobicContact CD1-CD2 4.42Å; F7-L85 HydrophobicContact CE2-CD2 3.96Å; F7-L85 HydrophobicContact CZ-CD2 3.81Å; F7-L85 HydrophobicContact CZ-CG 4.34Å; L25-L85 HydrophobicContact CD1-CD2 3.35Å; W53-L85 HydrophobicContact CE3-CD1 4.43Å; W53-L85 HydrophobicContact CH2-CD1 3.86Å; W53-L85 HydrophobicContact CZ3-CD1 3.49Å; W53-L85 VanDerWaalsContact CZ3-CD1 3.49Å; F77-L85 HydrophobicContact CD1-CD1 4.01Å; F77-L85 HydrophobicContact CE1-CD1 4.12Å; E81-L85 HydrophobicContact CB-CD1 4.44Å; E81-L85 WeakPolarHBondContact O-CB 3.39Å; E81-L85 VanDerWaalsContact O-CG 3.29Å; E81-L85 WeakPolarHBondContact O-CG 3.35Å; E81-L85 PolarHBondContact O-N 2.89Å; F82-L85 CarbonylContact O-C 3.58Å; F82-L85 PolarHBondContact O-N 3.24Å; F82-L85 VanDerWaalsContact O-N 3.09Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.92Å; L85-F88 PolarHBondContact O-N 2.91Å; L85-F89 HydrophobicContact CD2-CE2 4.48Å; L85-F89 WeakPolarHBondContact O-CB 3.31Å; L85-F89 VanDerWaalsContact O-CD2 3.23Å; L85-F89 WeakPolarHBondContact O-CD2 3.43Å; L85-F89 PolarHBondContact O-N 3.39Å; L85-L97 HydrophobicContact CB-CD2 4.02Å
86	S	90.6	Very high	88.9	Confident	22 Å²	22	69.2 Å²	69.2	15%	0.154	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-52.9	176.9	-165.1	0	0	0	0	111.1	F82 E83 F88 F89 K90	F82-S86 WeakPolarHBondContact O-CB 3.37Å; F82-S86 PolarHBondContact O-N 3.41Å; E83-S86 PolarHBondContact O-N 2.92Å; S86-F88 VanDerWaalsContact C-N 3.34Å; S86-F88 PolarHBondContact O-N 3.26Å; S86-F89 PolarHBondContact O-N 2.63Å; S86-K90 WeakPolarHBondContact O-CB 3.18Å; S86-K90 PolarHBondContact O-N 2.96Å
87	D	90.4	Very high	88.9	Confident	94 Å²	94	68.7 Å²	68.7	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-55.6	-45.4	174.5	-87	-18.3	0	0	0	112.4	E83 T91	E83-D87 WeakPolarHBondContact O-CB 3.33Å; E83-D87 PolarHBondContact O-N 2.91Å; D87-T91 WeakPolarHBondContact O-CB 3.39Å; D87-T91 PolarHBondContact O-N 3.43Å; D87-T91 PolarHBondContact O-OG1 3.45Å
88	F	90.2	Very high	88.7	Confident	8 Å²	8	73.3 Å²	73.3	4%	0.035	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-46.8	-178.6	-171.3	-80.3	0	0	0	111.7	A2 L5 L25 K84 L85 S86 T91 H92 Y93	A2-F88 WeakPolarHBondContact O-CE2 3.44Å; L5-F88 HydrophobicContact CD1-CB 3.86Å; L5-F88 HydrophobicContact CD1-CD2 3.7Å; L5-F88 HydrophobicContact CD1-CE2 4.45Å; L5-F88 HydrophobicContact CD1-CG 3.85Å; L5-F88 HydrophobicContact CG-CD2 3.87Å; L5-F88 HydrophobicContact CG-CE2 4.21Å; L5-F88 HydrophobicContact CG-CG 4.48Å; L25-F88 HydrophobicContact CB-CD1 4.22Å; L25-F88 HydrophobicContact CB-CE1 3.65Å; L25-F88 HydrophobicContact CB-CZ 3.84Å; L25-F88 HydrophobicContact CD1-CD1 4.36Å; K84-F88 VanDerWaalsContact O-CB 3.29Å; K84-F88 WeakPolarHBondContact O-CB 3.38Å; K84-F88 PolarHBondContact O-N 2.87Å; L85-F88 PolarHBondContact O-N 2.91Å; S86-F88 VanDerWaalsContact C-N 3.34Å; S86-F88 PolarHBondContact O-N 3.26Å; F88-T91 PolarHBondContact O-N 2.67Å; F88-H92 AromaticContact CD2-CD2 3.85Å; F88-H92 HydrophobicContact CE1-CB 4.39Å; F88-H92 AromaticContact CE2-CD2 3.63Å; F88-H92 AromaticContact CZ-CD2 3.74Å; F88-H92 WeakPolarHBondContact O-CB 3.37Å; F88-H92 PolarHBondContact O-N 2.83Å; F88-Y93 HydrophobicContact CD1-CE2 4.12Å; F88-Y93 AromaticContact CE1-CE2 3.96Å; F88-Y93 HydrophobicContact CE1-CE2 3.96Å; F88-Y93 AromaticContact CE1-CZ 3.81Å
89	F	89.9	Confident	88.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-66.8	-41.5	178.8	-87.4	-116.2	0	0	0	111.6	L25 I30 L48 L62 L64 L85 S86 Y93 R94 L95 L97	L25-F89 HydrophobicContact CD1-CE2 3.99Å; L25-F89 HydrophobicContact CD2-CE2 4.44Å; I30-F89 HydrophobicContact CD1-CE1 4.23Å; I30-F89 HydrophobicContact CD1-CE2 4.48Å; I30-F89 HydrophobicContact CD1-CZ 3.65Å; L48-F89 HydrophobicContact CD1-CE1 4.43Å; L62-F89 HydrophobicContact CD2-CE2 4.14Å; L62-F89 HydrophobicContact CD2-CZ 3.87Å; L64-F89 HydrophobicContact CD1-CE1 4.43Å; L64-F89 HydrophobicContact CD1-CZ 4.17Å; L64-F89 HydrophobicContact CD2-CE1 3.67Å; L64-F89 HydrophobicContact CD2-CZ 3.94Å; L85-F89 HydrophobicContact CD2-CE2 4.48Å; L85-F89 WeakPolarHBondContact O-CB 3.31Å; L85-F89 VanDerWaalsContact O-CD2 3.23Å; L85-F89 WeakPolarHBondContact O-CD2 3.43Å; L85-F89 PolarHBondContact O-N 3.39Å; S86-F89 PolarHBondContact O-N 2.63Å; F89-Y93 HydrophobicContact CB-CD2 4.22Å; F89-Y93 AromaticContact CD1-CD2 3.56Å; F89-Y93 HydrophobicContact CD1-CD2 3.56Å; F89-Y93 HydrophobicContact CD1-CE2 4.17Å; F89-Y93 AromaticContact CD2-CD2 3.98Å; F89-Y93 HydrophobicContact CD2-CD2 3.98Å; F89-Y93 HydrophobicContact CD2-CE2 4Å; F89-Y93 AromaticContact CE1-CD2 3.78Å; F89-Y93 HydrophobicContact CE1-CD2 3.78Å; F89-Y93 HydrophobicContact CE1-CE2 4.03Å; F89-Y93 HydrophobicContact CE2-CD2 4.22Å; F89-Y93 AromaticContact CE2-CE2 3.89Å; F89-Y93 HydrophobicContact CE2-CE2 3.89Å; F89-Y93 AromaticContact CG-CD2 3.64Å; F89-Y93 HydrophobicContact CG-CD2 3.64Å; F89-Y93 HydrophobicContact CG-CE2 4.14Å; F89-Y93 HydrophobicContact CZ-CD2 4.11Å; F89-Y93 AromaticContact CZ-CE2 3.89Å; F89-Y93 HydrophobicContact CZ-CE2 3.89Å; F89-Y93 CarbonylContact O-C 3.58Å; F89-Y93 WeakPolarHBondContact O-CA 3.38Å; F89-Y93 WeakPolarHBondContact O-CB 3.13Å; F89-Y93 PolarHBondContact O-N 2.92Å; F89-R94 PolarHBondContact O-N 2.93Å; F89-L95 CarbonylContact C-O 3.37Å; F89-L95 VanDerWaalsContact C-O 3.23Å; F89-L95 WeakPolarHBondContact CB-O 3.43Å; F89-L95 HydrophobicContact CD1-CB 4.43Å; F89-L95 HydrophobicContact CD1-CD2 4.15Å; F89-L95 PolarHBondContact O-N 2.81Å; F89-L97 HydrophobicContact CB-CD1 3.47Å; F89-L97 VanDerWaalsContact CB-CD1 3.47Å; F89-L97 HydrophobicContact CD1-CD1 3.55Å; F89-L97 HydrophobicContact CD2-CD1 4.01Å; F89-L97 HydrophobicContact CE1-CD1 4.29Å; F89-L97 HydrophobicContact CG-CD1 3.4Å; F89-L97 VanDerWaalsContact CG-CD1 3.4Å
90	K	89.7	Confident	88.4	Confident	111 Å²	111	69.7 Å²	69.7	48%	0.483	33%	0.331	S	S	.	.	I	π-helix	trans	-65.1	-39.5	177.3	-165.2	159.8	-175.9	158.9	0	111.9	S86 R94 L95 E96	S86-K90 WeakPolarHBondContact O-CB 3.18Å; S86-K90 PolarHBondContact O-N 2.96Å; K90-R94 WeakPolarHBondContact O-CA 3.44Å; K90-L95 PolarHBondContact N-O 2.97Å; K90-E96 HydrophobicContact CD-CG 4.44Å; K90-E96 WeakPolarHBondContact CE-OE1 3.32Å; K90-E96 IonicContact NZ-OE1 2.62Å; K90-E96 PolarHBondContact NZ-OE1 3.26Å
91	T	87.1	Confident	88.1	Confident	63 Å²	63	69.7 Å²	69.7	39%	0.387	32%	0.324	S	S	.	.	I	π-helix	trans	-79.1	-40.6	-179.2	-56.8	0	0	0	0	113.8	M1 D87 F88	M1-T91 HydrophobicContact CE-CG2 4.08Å; M1-T91 WeakPolarHBondContact CE-OG1 3.44Å; M1-T91 HydrophobicContact SD-CG2 3.7Å; M1-T91 PolarHBondContact SD-OG1 3.25Å; D87-T91 WeakPolarHBondContact O-CB 3.39Å; D87-T91 PolarHBondContact O-N 3.43Å; D87-T91 PolarHBondContact O-OG1 3.45Å; F88-T91 PolarHBondContact O-N 2.67Å
92	H	84.9	Confident	87.8	Confident	45 Å²	45	70.5 Å²	70.5	21%	0.208	33%	0.329	C	S	.	.	I	π-helix	trans	-105.9	-32.1	-171.1	-66.8	-36	0	0	0	114.7	F88	F88-H92 AromaticContact CD2-CD2 3.85Å; F88-H92 HydrophobicContact CE1-CB 4.39Å; F88-H92 AromaticContact CE2-CD2 3.63Å; F88-H92 AromaticContact CZ-CD2 3.74Å; F88-H92 WeakPolarHBondContact O-CB 3.37Å; F88-H92 PolarHBondContact O-N 2.83Å
93	Y	85.3	Confident	87.5	Confident	26 Å²	26	69.4 Å²	69.4	10%	0.102	33%	0.325	C	S	.	.	I	π-helix	trans	-105.5	-7.9	178.5	-50.9	-40.5	0	0	0	113.1	S26 G29 I30 A45 L48 F88 F89 L95	S26-Y93 WeakPolarHBondContact O-CE1 3.39Å; S26-Y93 PolarHBondContact O-OH 2.86Å; G29-Y93 PolarHBondContact O-OH 2.9Å; I30-Y93 HydrophobicContact CD1-CE2 3.91Å; I30-Y93 HydrophobicContact CG1-CE2 4.04Å; I30-Y93 WeakPolarHBondContact CG1-OH 3.38Å; A45-Y93 HydrophobicContact CB-CD1 3.55Å; A45-Y93 HydrophobicContact CB-CE1 3.79Å; L48-Y93 HydrophobicContact CD1-CD2 3.96Å; L48-Y93 HydrophobicContact CD1-CE2 4.21Å; L48-Y93 HydrophobicContact CD1-CG 4.14Å; F88-Y93 HydrophobicContact CD1-CE2 4.12Å; F88-Y93 AromaticContact CE1-CE2 3.96Å; F88-Y93 HydrophobicContact CE1-CE2 3.96Å; F88-Y93 AromaticContact CE1-CZ 3.81Å; F89-Y93 HydrophobicContact CB-CD2 4.22Å; F89-Y93 AromaticContact CD1-CD2 3.56Å; F89-Y93 HydrophobicContact CD1-CD2 3.56Å; F89-Y93 HydrophobicContact CD1-CE2 4.17Å; F89-Y93 AromaticContact CD2-CD2 3.98Å; F89-Y93 HydrophobicContact CD2-CD2 3.98Å; F89-Y93 HydrophobicContact CD2-CE2 4Å; F89-Y93 AromaticContact CE1-CD2 3.78Å; F89-Y93 HydrophobicContact CE1-CD2 3.78Å; F89-Y93 HydrophobicContact CE1-CE2 4.03Å; F89-Y93 HydrophobicContact CE2-CD2 4.22Å; F89-Y93 AromaticContact CE2-CE2 3.89Å; F89-Y93 HydrophobicContact CE2-CE2 3.89Å; F89-Y93 AromaticContact CG-CD2 3.64Å; F89-Y93 HydrophobicContact CG-CD2 3.64Å; F89-Y93 HydrophobicContact CG-CE2 4.14Å; F89-Y93 HydrophobicContact CZ-CD2 4.11Å; F89-Y93 AromaticContact CZ-CE2 3.89Å; F89-Y93 HydrophobicContact CZ-CE2 3.89Å; F89-Y93 CarbonylContact O-C 3.58Å; F89-Y93 WeakPolarHBondContact O-CA 3.38Å; F89-Y93 WeakPolarHBondContact O-CB 3.13Å; F89-Y93 PolarHBondContact O-N 2.92Å; Y93-L95 PolarHBondContact O-N 2.84Å
94	R	86	Confident	87.2	Confident	231 Å²	231	70 Å²	70	87%	0.872	34%	0.338	S	S	*	.			trans	54.6	34.8	-172.7	-56.9	-178.2	178.7	-177.8	-0.9	112.7	F89 K90	F89-R94 PolarHBondContact O-N 2.93Å; K90-R94 WeakPolarHBondContact O-CA 3.44Å
95	L	86.6	Confident	86.9	Confident	29 Å²	29	69.5 Å²	69.5	15%	0.152	34%	0.335	C	S	.	.			trans	-118.7	131.3	-176.7	-174.4	59.4	0	0	0	109.1	L48 F89 K90 Y93	L48-L95 HydrophobicContact CB-CD2 4.27Å; F89-L95 CarbonylContact C-O 3.37Å; F89-L95 VanDerWaalsContact C-O 3.23Å; F89-L95 WeakPolarHBondContact CB-O 3.43Å; F89-L95 HydrophobicContact CD1-CB 4.43Å; F89-L95 HydrophobicContact CD1-CD2 4.15Å; F89-L95 PolarHBondContact O-N 2.81Å; K90-L95 PolarHBondContact N-O 2.97Å; Y93-L95 PolarHBondContact O-N 2.84Å
96	E	87.9	Confident	86.6	Confident	122 Å²	122	72.5 Å²	72.5	57%	0.57	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-90.7	135.9	173.1	-57.3	-166.8	129.8	0	0	109.3	K90 M98	K90-E96 HydrophobicContact CD-CG 4.44Å; K90-E96 WeakPolarHBondContact CE-OE1 3.32Å; K90-E96 IonicContact NZ-OE1 2.62Å; K90-E96 PolarHBondContact NZ-OE1 3.26Å; E96-M98 PolarHBondContact O-N 3.03Å
97	L	89.7	Confident	86.4	Confident	13 Å²	13	77.2 Å²	77.2	7%	0.068	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.3	172.5	-90.4	64.4	0	0	0	108.7	G51 W53 L62 F82 L85 F89	G51-L97 WeakPolarHBondContact O-CA 3.3Å; W53-L97 HydrophobicContact CE3-CD2 4.45Å; L62-L97 HydrophobicContact CD1-CD2 3.77Å; L62-L97 HydrophobicContact CD1-CG 4.11Å; F82-L97 HydrophobicContact CD2-CD2 4.36Å; F82-L97 HydrophobicContact CE2-CB 3.92Å; F82-L97 HydrophobicContact CE2-CD2 4.26Å; L85-L97 HydrophobicContact CB-CD2 4.02Å; F89-L97 HydrophobicContact CB-CD1 3.47Å; F89-L97 VanDerWaalsContact CB-CD1 3.47Å; F89-L97 HydrophobicContact CD1-CD1 3.55Å; F89-L97 HydrophobicContact CD2-CD1 4.01Å; F89-L97 HydrophobicContact CE1-CD1 4.29Å; F89-L97 HydrophobicContact CG-CD1 3.4Å; F89-L97 VanDerWaalsContact CG-CD1 3.4Å
98	M	88.5	Confident	86.2	Confident	99 Å²	99	79.6 Å²	79.6	49%	0.488	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.2	170.7	-68.7	-167.7	-68.2	0	0	109.9	E50 G51 I52 W53 E96 K100	E50-M98 HydrophobicContact CG-CE 3.92Å; E50-M98 WeakPolarHBondContact OE1-CE 3.13Å; G51-M98 PolarHBondContact O-N 3.16Å; I52-M98 WeakPolarHBondContact CA-O 3.48Å; W53-M98 PolarHBondContact N-O 2.74Å; E96-M98 PolarHBondContact O-N 3.03Å; M98-K100 PolarHBondContact O-N 2.8Å
99	E	87.3	Confident	86	Confident	132 Å²	132	86.9 Å²	86.9	62%	0.617	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	116.3	164.3	-60.7	-160.7	137.8	0	0	109.4	W53 F82	W53-E99 WeakPolarHBondContact O-CA 3.27Å; F82-E99 HydrophobicContact CE1-CG 4.41Å; F82-E99 HydrophobicContact CE2-CG 3.85Å; F82-E99 HydrophobicContact CZ-CG 3.69Å
100	K	84.6	Confident	85.9	Confident	79 Å²	79	88.9 Å²	88.9	34%	0.343	44%	0.442	S	S	.	.			trans	-141.8	90.6	176.3	-160.1	177.7	-169.8	-174.7	0	111.4	I52 W53 R54 M98 D125 P127	I52-K100 HydrophobicContact CG2-CB 3.69Å; W53-K100 PolarHBondContact O-N 3.22Å; R54-K100 WeakPolarHBondContact CB-O 3.48Å; M98-K100 PolarHBondContact O-N 2.8Å; K100-D125 WeakPolarHBondContact CE-O 3.39Å; K100-D125 PolarHBondContact NZ-O 3.05Å; K100-P127 HydrophobicContact CD-CG 4.47Å; K100-P127 VanDerWaalsContact CE-CD 3.48Å
101	D	82.3	Confident	85.8	Confident	79 Å²	79	87.4 Å²	87.4	42%	0.422	44%	0.442	S	S	.	.			trans	-65.3	149.2	174.5	-90.7	-16.4	0	0	0	112.9	R55	R55-D101 WeakPolarHBondContact CB-OD1 2.99Å; R55-D101 PolarHBondContact N-OD1 3.38Å
102	L	82.2	Confident	85.8	Confident	49 Å²	49	86.5 Å²	86.5	26%	0.257	44%	0.436	S	S	.	.			trans	-76.1	148.4	178.8	-61.6	175.1	0	0	0	111.2	V104 P127	L102-V104 PolarHBondContact O-N 3.07Å; L102-P127 CarbonylContact C-O 3.59Å; L102-P127 VanDerWaalsContact CA-O 3.32Å; L102-P127 WeakPolarHBondContact CA-O 3.42Å; L102-P127 HydrophobicContact CD2-CG 4.22Å
103	C	84.3	Confident	85.8	Confident	7 Å²	7	88 Å²	88	5%	0.047	44%	0.442	C	S	.	.			trans	-75.7	88.1	-177.2	-167.5	0	0	0	0	112.4	K105 Q126 P127 V128	C103-K105 PolarHBondContact O-N 2.95Å; C103-K105 VanDerWaalsContact O-N 3.07Å; C103-Q126 HydrophobicContact CB-CB 3.75Å; C103-P127 PolarHBondContact N-O 3.5Å; C103-V128 HydrophobicContact CB-CG2 3.94Å
104	V	83.3	Confident	85.6	Confident	143 Å²	143	89.3 Å²	89.3	87%	0.867	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	11.9	-179.2	-61.8	0	0	0	0	115.3	L102 G106	L102-V104 PolarHBondContact O-N 3.07Å; V104-G106 PolarHBondContact O-N 3.35Å
105	K	84.9	Confident	84.9	Confident	107 Å²	107	80.7 Å²	80.7	47%	0.465	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.5	-174.6	-66.3	175.3	-176.8	135.5	0	114.5	C103 W107	C103-K105 PolarHBondContact O-N 2.95Å; C103-K105 VanDerWaalsContact O-N 3.07Å; K105-W107 HydrophobicContact CB-CD2 4.3Å; K105-W107 HydrophobicContact CB-CG 4.1Å; K105-W107 PolarHBondContact O-N 3.27Å
106	G	82.3	Confident	84.3	Confident	63 Å²	63	81.8 Å²	81.8	65%	0.649	45%	0.45	S	S	*	.			trans	66.8	14.3	-177.4	0	0	0	0	0	114.6	V104	V104-G106 PolarHBondContact O-N 3.35Å
107	W	87.2	Confident	83.7	Confident	121 Å²	121	79.4 Å²	79.4	46%	0.458	44%	0.438	S	S	.	.			trans	-80.4	145.8	177.5	-66.9	4	0	0	0	110.3	K105 W109 I123	K105-W107 HydrophobicContact CB-CD2 4.3Å; K105-W107 HydrophobicContact CB-CG 4.1Å; K105-W107 PolarHBondContact O-N 3.27Å; W107-W109 HydrophobicContact CB-CD2 4.23Å; W107-W109 HydrophobicContact CB-CE3 4.26Å; W107-W109 HydrophobicContact CB-CH2 3.97Å; W107-W109 HydrophobicContact CB-CZ2 3.93Å; W107-W109 HydrophobicContact CB-CZ3 4.13Å; W107-W109 AromaticContact CD1-CH2 3.72Å; W107-W109 AromaticContact CD1-CZ2 3.98Å; W107-W109 AromaticContact CD2-CE2 3.83Å; W107-W109 AromaticContact CD2-CH2 3.83Å; W107-W109 HydrophobicContact CD2-CH2 3.83Å; W107-W109 AromaticContact CD2-CZ2 3.25Å; W107-W109 HydrophobicContact CD2-CZ2 3.25Å; W107-W109 AromaticContact CE2-CZ2 3.72Å; W107-W109 AromaticContact CE3-CE2 3.67Å; W107-W109 HydrophobicContact CE3-CH2 4.47Å; W107-W109 AromaticContact CE3-CZ2 3.49Å; W107-W109 HydrophobicContact CE3-CZ2 3.49Å; W107-W109 VanDerWaalsContact CE3-CZ2 3.49Å; W107-W109 AromaticContact CE3-NE1 3.59Å; W107-W109 AromaticContact CG-CH2 3.56Å; W107-W109 HydrophobicContact CG-CH2 3.56Å; W107-W109 AromaticContact CG-CZ2 3.47Å; W107-W109 HydrophobicContact CG-CZ2 3.47Å; W107-W109 VanDerWaalsContact CG-CZ2 3.47Å; W107-W109 HydrophobicContact CG-CZ3 4.21Å; W107-W109 HydrophobicContact CH2-CZ2 4.49Å; W107-W109 HydrophobicContact CZ2-CZ2 4.32Å; W107-W109 HydrophobicContact CZ3-CZ2 4.12Å; W107-I123 HydrophobicContact CB-CD1 3.82Å; W107-I123 HydrophobicContact CE3-CG2 3.98Å; W107-I123 WeakPolarHBondContact O-CD1 3.33Å
108	N	85.4	Confident	83.4	Confident	145 Å²	145	79.1 Å²	79.1	78%	0.775	44%	0.437	S	S	*	.			trans	-115.9	14.4	-175.3	-63.1	-62.1	0	0	0	113
109	W	86.2	Confident	83.3	Confident	161 Å²	161	74.4 Å²	74.4	61%	0.61	41%	0.414	S	S	*	.			trans	-117.8	130.8	174.5	58	90.8	0	0	0	109.3	W107 I123	W107-W109 HydrophobicContact CB-CD2 4.23Å; W107-W109 HydrophobicContact CB-CE3 4.26Å; W107-W109 HydrophobicContact CB-CH2 3.97Å; W107-W109 HydrophobicContact CB-CZ2 3.93Å; W107-W109 HydrophobicContact CB-CZ3 4.13Å; W107-W109 AromaticContact CD1-CH2 3.72Å; W107-W109 AromaticContact CD1-CZ2 3.98Å; W107-W109 AromaticContact CD2-CE2 3.83Å; W107-W109 AromaticContact CD2-CH2 3.83Å; W107-W109 HydrophobicContact CD2-CH2 3.83Å; W107-W109 AromaticContact CD2-CZ2 3.25Å; W107-W109 HydrophobicContact CD2-CZ2 3.25Å; W107-W109 AromaticContact CE2-CZ2 3.72Å; W107-W109 AromaticContact CE3-CE2 3.67Å; W107-W109 HydrophobicContact CE3-CH2 4.47Å; W107-W109 AromaticContact CE3-CZ2 3.49Å; W107-W109 HydrophobicContact CE3-CZ2 3.49Å; W107-W109 VanDerWaalsContact CE3-CZ2 3.49Å; W107-W109 AromaticContact CE3-NE1 3.59Å; W107-W109 AromaticContact CG-CH2 3.56Å; W107-W109 HydrophobicContact CG-CH2 3.56Å; W107-W109 AromaticContact CG-CZ2 3.47Å; W107-W109 HydrophobicContact CG-CZ2 3.47Å; W107-W109 VanDerWaalsContact CG-CZ2 3.47Å; W107-W109 HydrophobicContact CG-CZ3 4.21Å; W107-W109 HydrophobicContact CH2-CZ2 4.49Å; W107-W109 HydrophobicContact CZ2-CZ2 4.32Å; W107-W109 HydrophobicContact CZ3-CZ2 4.12Å; W109-I123 WeakPolarHBondContact O-CD1 3.35Å; W109-I123 WeakPolarHBondContact O-CG1 3.49Å
110	G	88.4	Confident	83.4	Confident	42 Å²	42	69 Å²	69	43%	0.433	39%	0.391	S	S	.	.			trans	-178	177.9	-170.6	0	0	0	0	0	111.4	D122	G110-D122 CarbonylContact C-O 3.23Å; G110-D122 WeakPolarHBondContact CA-O 3.5Å
111	T	87.4	Confident	83.6	Confident	80 Å²	80	66.1 Å²	66.1	49%	0.491	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.6	178.2	54.5	0	0	0	0	110.5	D122	T111-D122 PolarHBondContact N-O 2.93Å; T111-D122 PolarHBondContact O-N 2.93Å
112	V	86.9	Confident	84	Confident	43 Å²	43	62.6 Å²	62.6	26%	0.261	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.6	170.8	178.7	0	0	0	0	109.7	F114 L119 S120 F121 F165 F181	V112-F114 HydrophobicContact CG1-CE2 4.18Å; V112-L119 HydrophobicContact CG1-CD1 3.4Å; V112-L119 VanDerWaalsContact CG1-CD1 3.4Å; V112-L119 HydrophobicContact CG1-CG 3.84Å; V112-S120 WeakPolarHBondContact CA-O 3.41Å; V112-F121 HydrophobicContact CG2-CD2 3.77Å; V112-F121 HydrophobicContact CG2-CE2 4.43Å; V112-F165 HydrophobicContact CG2-CD1 3.98Å; V112-F165 HydrophobicContact CG2-CE1 3.88Å; V112-F181 HydrophobicContact CB-CE2 3.78Å; V112-F181 HydrophobicContact CB-CZ 4.47Å; V112-F181 HydrophobicContact CG1-CE2 3.59Å; V112-F181 HydrophobicContact CG1-CZ 3.94Å; V112-F181 HydrophobicContact CG2-CE2 3.9Å; V112-F181 HydrophobicContact CG2-CZ 4.35Å
113	K	85.8	Confident	84.3	Confident	76 Å²	76	60.8 Å²	60.8	33%	0.33	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.1	176.8	-58.6	176.4	-172.7	164.8	0	110.3	S120 D122 D125	K113-S120 PolarHBondContact N-O 3.17Å; K113-S120 PolarHBondContact O-N 2.99Å; K113-D122 HydrophobicContact CD-CB 4.47Å; K113-D122 WeakPolarHBondContact CD-OD2 3.17Å; K113-D122 WeakPolarHBondContact CE-OD2 3.35Å; K113-D122 IonicContact NZ-OD2 3.51Å; K113-D122 PolarHBondContact NZ-OD2 3.49Å; K113-D125 IonicContact NZ-OD1 3.2Å; K113-D125 PolarHBondContact NZ-OD1 2.98Å
114	F	81.1	Confident	84.2	Confident	54 Å²	54	63.7 Å²	63.7	24%	0.237	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	90.5	-178	-71.5	-98.8	0	0	0	110.7	V112 G116 L118 L119 L133 F181 N184 V185 K188	V112-F114 HydrophobicContact CG1-CE2 4.18Å; F114-G116 PolarHBondContact O-N 2.91Å; F114-L118 CarbonylContact C-O 3.58Å; F114-L118 WeakPolarHBondContact CA-O 3.48Å; F114-L119 HydrophobicContact CD1-CD1 3.69Å; F114-L119 HydrophobicContact CD2-CD1 4.29Å; F114-L119 HydrophobicContact CE1-CD1 3.32Å; F114-L119 HydrophobicContact CE2-CD1 3.97Å; F114-L119 HydrophobicContact CG-CD1 4.17Å; F114-L119 HydrophobicContact CZ-CD1 3.47Å; F114-L119 VanDerWaalsContact CZ-CD1 3.47Å; F114-L133 HydrophobicContact CD1-CD1 4.14Å; F114-L133 HydrophobicContact CE1-CD1 4.39Å; F114-F181 HydrophobicContact CE2-CD2 4.2Å; F114-F181 HydrophobicContact CE2-CE2 4.23Å; F114-F181 HydrophobicContact CZ-CD1 4.4Å; F114-F181 HydrophobicContact CZ-CD2 4.22Å; F114-F181 HydrophobicContact CZ-CE1 4.37Å; F114-F181 HydrophobicContact CZ-CE2 4.2Å; F114-F181 HydrophobicContact CZ-CG 4.33Å; F114-F181 HydrophobicContact CZ-CZ 4.27Å; F114-N184 HydrophobicContact CD1-CB 4.28Å; F114-N184 HydrophobicContact CE1-CB 3.77Å; F114-N184 HydrophobicContact CE2-CB 4.18Å; F114-N184 HydrophobicContact CZ-CB 3.72Å; F114-V185 HydrophobicContact CE1-CG2 3.83Å; F114-V185 HydrophobicContact CZ-CG2 4.02Å; F114-K188 HydrophobicContact CD1-CD 4.41Å
115	G	71.6	Confident	84	Confident	50 Å²	50	61.9 Å²	61.9	52%	0.515	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	90.2	176.6	0	0	0	0	0	111.8	Q117 L118	G115-Q117 PolarHBondContact O-N 3.41Å; G115-L118 PolarHBondContact N-O 3.29Å; G115-L118 VanDerWaalsContact O-CB 3.27Å; G115-L118 WeakPolarHBondContact O-CB 3.41Å; G115-L118 PolarHBondContact O-N 2.88Å
116	G	73.1	Confident	83.9	Confident	52 Å²	52	60.3 Å²	60.3	54%	0.536	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-120.7	-175.5	0	0	0	0	0	111.4	F114 L118	F114-G116 PolarHBondContact O-N 2.91Å; G116-L118 VanDerWaalsContact C-N 3.32Å
117	Q	76.3	Confident	84.1	Confident	72 Å²	72	57.6 Å²	57.6	34%	0.336	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	8.4	171.9	-70.7	-173.2	-6.6	0	0	113.8	G115 L133	G115-Q117 PolarHBondContact O-N 3.41Å; Q117-L133 WeakPolarHBondContact O-CB 3.4Å; Q117-L133 WeakPolarHBondContact O-CG 3.05Å; Q117-L133 PolarHBondContact O-N 3Å
118	L	82.2	Confident	84	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.9	-179.7	-162.5	72.6	0	0	0	111.4	V71 F114 G115 G116 E130 P132	V71-L118 HydrophobicContact CG2-CD1 4.16Å; V71-L118 HydrophobicContact CG2-CD2 4.39Å; F114-L118 CarbonylContact C-O 3.58Å; F114-L118 WeakPolarHBondContact CA-O 3.48Å; G115-L118 PolarHBondContact N-O 3.29Å; G115-L118 VanDerWaalsContact O-CB 3.27Å; G115-L118 WeakPolarHBondContact O-CB 3.41Å; G115-L118 PolarHBondContact O-N 2.88Å; G116-L118 VanDerWaalsContact C-N 3.32Å; L118-E130 HydrophobicContact CD1-CB 4.16Å; L118-E130 HydrophobicContact CD2-CB 4.15Å; L118-E130 HydrophobicContact CD2-CG 4.31Å; L118-E130 HydrophobicContact CG-CB 4.3Å; L118-P132 HydrophobicContact CD1-CG 4.11Å
119	L	87.8	Confident	84	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.3	168.9	-168.5	80.9	0	0	0	108.6	V112 F114 E130 I131 L133 L148 F165 F181	V112-L119 HydrophobicContact CG1-CD1 3.4Å; V112-L119 VanDerWaalsContact CG1-CD1 3.4Å; V112-L119 HydrophobicContact CG1-CG 3.84Å; F114-L119 HydrophobicContact CD1-CD1 3.69Å; F114-L119 HydrophobicContact CD2-CD1 4.29Å; F114-L119 HydrophobicContact CE1-CD1 3.32Å; F114-L119 HydrophobicContact CE2-CD1 3.97Å; F114-L119 HydrophobicContact CG-CD1 4.17Å; F114-L119 HydrophobicContact CZ-CD1 3.47Å; F114-L119 VanDerWaalsContact CZ-CD1 3.47Å; L119-E130 CarbonylContact O-C 3.51Å; L119-E130 WeakPolarHBondContact O-CA 3.33Å; L119-I131 HydrophobicContact CB-CB 4.28Å; L119-I131 PolarHBondContact N-O 2.9Å; L119-I131 PolarHBondContact O-N 3.43Å; L119-L133 HydrophobicContact CB-CD2 3.96Å; L119-L133 HydrophobicContact CB-CG 4.4Å; L119-L148 HydrophobicContact CD2-CD2 3.77Å; L119-F165 HydrophobicContact CD2-CE2 3.84Å; L119-F165 HydrophobicContact CD2-CZ 3.96Å; L119-F181 HydrophobicContact CD1-CZ 4.29Å
120	S	88.1	Confident	84	Confident	18 Å²	18	43.7 Å²	43.7	13%	0.126	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147	170.6	77.9	0	0	0	0	111.1	V112 K113 D122	V112-S120 WeakPolarHBondContact CA-O 3.41Å; K113-S120 PolarHBondContact N-O 3.17Å; K113-S120 PolarHBondContact O-N 2.99Å; S120-D122 WeakPolarHBondContact CB-OD1 3.25Å; S120-D122 PolarHBondContact OG-OD1 2.83Å
121	F	90.1	Very high	83.9	Confident	18 Å²	18	42.3 Å²	42.3	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.5	169	-177.9	-113.5	0	0	0	108.8	V112 I123 V128 F129 F165	V112-F121 HydrophobicContact CG2-CD2 3.77Å; V112-F121 HydrophobicContact CG2-CE2 4.43Å; F121-I123 HydrophobicContact CE1-CD1 4Å; F121-I123 HydrophobicContact CE1-CG1 4.2Å; F121-V128 HydrophobicContact CD1-CB 4.12Å; F121-V128 HydrophobicContact CD1-CG2 3.94Å; F121-V128 HydrophobicContact CE1-CG2 4.34Å; F121-V128 PolarHBondContact O-N 3.02Å; F121-F129 HydrophobicContact CB-CD1 4.15Å; F121-F129 HydrophobicContact CB-CD2 4.35Å; F121-F129 HydrophobicContact CB-CE1 3.72Å; F121-F129 HydrophobicContact CB-CE2 3.95Å; F121-F129 HydrophobicContact CB-CG 4.45Å; F121-F129 HydrophobicContact CB-CZ 3.63Å; F121-F129 HydrophobicContact CD1-CD1 4.21Å; F121-F129 AromaticContact CD1-CE1 3.63Å; F121-F129 HydrophobicContact CD1-CE1 3.63Å; F121-F129 HydrophobicContact CD1-CZ 4.22Å; F121-F129 AromaticContact CG-CE1 3.91Å; F121-F129 HydrophobicContact CG-CE1 3.91Å; F121-F129 HydrophobicContact CG-CZ 4.05Å; F121-F129 PolarHBondContact N-O 3.33Å; F121-F129 VanDerWaalsContact N-O 3.16Å; F121-F165 HydrophobicContact CB-CE1 4.49Å; F121-F165 HydrophobicContact CD2-CE1 4.09Å; F121-F165 HydrophobicContact CG-CE1 4.4Å
122	D	89.8	Confident	83.6	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.032	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.3	-169.8	-74.5	32.8	0	0	0	111.5	G110 T111 K113 S120	G110-D122 CarbonylContact C-O 3.23Å; G110-D122 WeakPolarHBondContact CA-O 3.5Å; T111-D122 PolarHBondContact N-O 2.93Å; T111-D122 PolarHBondContact O-N 2.93Å; K113-D122 HydrophobicContact CD-CB 4.47Å; K113-D122 WeakPolarHBondContact CD-OD2 3.17Å; K113-D122 WeakPolarHBondContact CE-OD2 3.35Å; K113-D122 IonicContact NZ-OD2 3.51Å; K113-D122 PolarHBondContact NZ-OD2 3.49Å; S120-D122 WeakPolarHBondContact CB-OD1 3.25Å; S120-D122 PolarHBondContact OG-OD1 2.83Å
123	I	88.5	Confident	83.4	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	100.3	174.3	-59	-174	0	0	0	108.7	W107 W109 F121 Q126 V128	W107-I123 HydrophobicContact CB-CD1 3.82Å; W107-I123 HydrophobicContact CE3-CG2 3.98Å; W107-I123 WeakPolarHBondContact O-CD1 3.33Å; W109-I123 WeakPolarHBondContact O-CD1 3.35Å; W109-I123 WeakPolarHBondContact O-CG1 3.49Å; F121-I123 HydrophobicContact CE1-CD1 4Å; F121-I123 HydrophobicContact CE1-CG1 4.2Å; I123-Q126 PolarHBondContact N-O 2.81Å; I123-V128 HydrophobicContact CB-CG2 4.28Å; I123-V128 HydrophobicContact CD1-CG2 3.48Å; I123-V128 VanDerWaalsContact CD1-CG2 3.48Å; I123-V128 HydrophobicContact CG1-CG2 3.6Å
124	G	81.4	Confident	82.9	Confident	67 Å²	67	36.1 Å²	36.1	69%	0.691	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	49	-172.4	0	0	0	0	0	111.6	Q126	G124-Q126 PolarHBondContact O-N 3.03Å
125	D	80.1	Confident	82.7	Confident	106 Å²	106	35.1 Å²	35.1	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	1.3	-179	-59.9	-60	0	0	0	117.2	K100 K113	K100-D125 WeakPolarHBondContact CE-O 3.39Å; K100-D125 PolarHBondContact NZ-O 3.05Å; K113-D125 IonicContact NZ-OD1 3.2Å; K113-D125 PolarHBondContact NZ-OD1 2.98Å
126	Q	83.1	Confident	83.1	Confident	73 Å²	73	32.7 Å²	32.7	34%	0.341	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.7	164.6	-59.4	-175.5	-64.5	0	0	109.5	C103 I123 G124	C103-Q126 HydrophobicContact CB-CB 3.75Å; I123-Q126 PolarHBondContact N-O 2.81Å; G124-Q126 PolarHBondContact O-N 3.03Å
127	P	85.2	Confident	83.2	Confident	7 Å²	7	31.4 Å²	31.4	5%	0.045	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.8	175.1	28.4	-33.1	0	0	0	110.5	K100 L102 C103	K100-P127 HydrophobicContact CD-CG 4.47Å; K100-P127 VanDerWaalsContact CE-CD 3.48Å; L102-P127 CarbonylContact C-O 3.59Å; L102-P127 VanDerWaalsContact CA-O 3.32Å; L102-P127 WeakPolarHBondContact CA-O 3.42Å; L102-P127 HydrophobicContact CD2-CG 4.22Å; C103-P127 PolarHBondContact N-O 3.5Å
128	V	85.9	Confident	83.1	Confident	41 Å²	41	32.1 Å²	32.1	25%	0.248	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-47.6	169.6	-174.3	0	0	0	0	109.4	C103 F121 I123	C103-V128 HydrophobicContact CB-CG2 3.94Å; F121-V128 HydrophobicContact CD1-CB 4.12Å; F121-V128 HydrophobicContact CD1-CG2 3.94Å; F121-V128 HydrophobicContact CE1-CG2 4.34Å; F121-V128 PolarHBondContact O-N 3.02Å; I123-V128 HydrophobicContact CB-CG2 4.28Å; I123-V128 HydrophobicContact CD1-CG2 3.48Å; I123-V128 VanDerWaalsContact CD1-CG2 3.48Å; I123-V128 HydrophobicContact CG1-CG2 3.6Å
129	F	85.9	Confident	83.1	Confident	72 Å²	72	32.4 Å²	32.4	32%	0.316	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162.8	-178.8	65.7	-101	0	0	0	112	F121 I131 F165	F121-F129 HydrophobicContact CB-CD1 4.15Å; F121-F129 HydrophobicContact CB-CD2 4.35Å; F121-F129 HydrophobicContact CB-CE1 3.72Å; F121-F129 HydrophobicContact CB-CE2 3.95Å; F121-F129 HydrophobicContact CB-CG 4.45Å; F121-F129 HydrophobicContact CB-CZ 3.63Å; F121-F129 HydrophobicContact CD1-CD1 4.21Å; F121-F129 AromaticContact CD1-CE1 3.63Å; F121-F129 HydrophobicContact CD1-CE1 3.63Å; F121-F129 HydrophobicContact CD1-CZ 4.22Å; F121-F129 AromaticContact CG-CE1 3.91Å; F121-F129 HydrophobicContact CG-CE1 3.91Å; F121-F129 HydrophobicContact CG-CZ 4.05Å; F121-F129 PolarHBondContact N-O 3.33Å; F121-F129 VanDerWaalsContact N-O 3.16Å; F129-I131 HydrophobicContact CD2-CD1 3.99Å; F129-I131 HydrophobicContact CD2-CG1 3.91Å; F129-I131 HydrophobicContact CE2-CD1 3.67Å; F129-I131 HydrophobicContact CE2-CG1 4.06Å; F129-F165 HydrophobicContact CE2-CE1 4.31Å; F129-F165 AromaticContact CE2-CZ 3.88Å; F129-F165 HydrophobicContact CE2-CZ 3.88Å; F129-F165 AromaticContact CZ-CE1 3.73Å; F129-F165 HydrophobicContact CZ-CE1 3.73Å; F129-F165 AromaticContact CZ-CZ 3.72Å; F129-F165 HydrophobicContact CZ-CZ 3.72Å
130	E	85.4	Confident	82.8	Confident	21 Å²	21	35.2 Å²	35.2	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	117.9	-173.1	-60	179.8	144.1	0	0	111.1	R54 K63 K73 L118 L119	R54-E130 IonicContact CZ-OE2 3.42Å; R54-E130 IonicContact NH1-OE2 3.86Å; R54-E130 PolarHBondContact NH1-OE2 2.72Å; K63-E130 WeakPolarHBondContact CD-OE2 3.07Å; K63-E130 WeakPolarHBondContact CE-OE1 3.48Å; K63-E130 WeakPolarHBondContact CE-OE2 3.4Å; K63-E130 IonicContact NZ-OE1 2.73Å; K63-E130 PolarHBondContact NZ-OE1 2.84Å; K63-E130 IonicContact NZ-OE2 3.19Å; K63-E130 PolarHBondContact NZ-OE2 2.82Å; K73-E130 PolarHBondContact NZ-O 2.74Å; L118-E130 HydrophobicContact CD1-CB 4.16Å; L118-E130 HydrophobicContact CD2-CB 4.15Å; L118-E130 HydrophobicContact CD2-CG 4.31Å; L118-E130 HydrophobicContact CG-CB 4.3Å; L119-E130 CarbonylContact O-C 3.51Å; L119-E130 WeakPolarHBondContact O-CA 3.33Å
131	I	85.7	Confident	82.7	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.072	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115	-175.9	-63.6	-179.2	0	0	0	109.7	L119 F129 L133 F150 V163	L119-I131 HydrophobicContact CB-CB 4.28Å; L119-I131 PolarHBondContact N-O 2.9Å; L119-I131 PolarHBondContact O-N 3.43Å; F129-I131 HydrophobicContact CD2-CD1 3.99Å; F129-I131 HydrophobicContact CD2-CG1 3.91Å; F129-I131 HydrophobicContact CE2-CD1 3.67Å; F129-I131 HydrophobicContact CE2-CG1 4.06Å; I131-L133 PolarHBondContact O-N 2.98Å; I131-F150 HydrophobicContact CD1-CE1 4.44Å; I131-F150 HydrophobicContact CD1-CZ 3.81Å; I131-F150 HydrophobicContact CG2-CE1 3.4Å; I131-F150 VanDerWaalsContact CG2-CE1 3.4Å; I131-F150 HydrophobicContact CG2-CZ 3.75Å; I131-V163 HydrophobicContact CD1-CG2 4.37Å
132	P	82.5	Confident	82.3	Confident	23 Å²	23	39.1 Å²	39.1	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	125.5	166.7	-20.3	33.2	0	0	0	110.2	L118 S134 N135	L118-P132 HydrophobicContact CD1-CG 4.11Å; P132-S134 PolarHBondContact O-N 2.81Å; P132-N135 WeakPolarHBondContact O-CB 3.47Å; P132-N135 PolarHBondContact O-N 3.41Å
133	L	81.5	Confident	82	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.1	-22.6	-177.3	-66.7	175.9	0	0	0	112.4	F114 Q117 L119 I131 N135 V136 V185 K188 A189	F114-L133 HydrophobicContact CD1-CD1 4.14Å; F114-L133 HydrophobicContact CE1-CD1 4.39Å; Q117-L133 WeakPolarHBondContact O-CB 3.4Å; Q117-L133 WeakPolarHBondContact O-CG 3.05Å; Q117-L133 PolarHBondContact O-N 3Å; L119-L133 HydrophobicContact CB-CD2 3.96Å; L119-L133 HydrophobicContact CB-CG 4.4Å; I131-L133 PolarHBondContact O-N 2.98Å; L133-N135 PolarHBondContact O-N 2.88Å; L133-N135 VanDerWaalsContact O-N 3.15Å; L133-V136 HydrophobicContact CD2-CG2 4.13Å; L133-V136 WeakPolarHBondContact O-CB 3.32Å; L133-V136 PolarHBondContact O-N 3.3Å; L133-V185 HydrophobicContact CD2-CG1 4.22Å; L133-V185 HydrophobicContact CD2-CG2 4.44Å; L133-K188 WeakPolarHBondContact CB-O 3.38Å; L133-K188 HydrophobicContact CD1-CB 3.58Å; L133-K188 HydrophobicContact CD1-CD 4.2Å; L133-A189 HydrophobicContact CB-CB 4.2Å; L133-A189 WeakPolarHBondContact O-CB 3.39Å
134	S	74.9	Confident	81.9	Confident	46 Å²	46	49 Å²	49	32%	0.322	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57.5	-19.8	166.3	59.5	0	0	0	0	114.5	P132	P132-S134 PolarHBondContact O-N 2.81Å
135	N	77.3	Confident	82.2	Confident	32 Å²	32	49 Å²	49	17%	0.171	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-86.3	-14.3	177.3	-63.1	-9.6	0	0	0	112.7	K15 P132 L133 F150 H151	K15-N135 HydrophobicContact CG-CB 4.41Å; P132-N135 WeakPolarHBondContact O-CB 3.47Å; P132-N135 PolarHBondContact O-N 3.41Å; L133-N135 PolarHBondContact O-N 2.88Å; L133-N135 VanDerWaalsContact O-N 3.15Å; N135-F150 HydrophobicContact CB-CD1 4.24Å; N135-H151 PolarHBondContact O-N 3.41Å
136	V	80.3	Confident	82.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.8	-178.6	-178.6	0	0	0	0	109.5	L133 Q138 L148 F150 V185 A189	L133-V136 HydrophobicContact CD2-CG2 4.13Å; L133-V136 WeakPolarHBondContact O-CB 3.32Å; L133-V136 PolarHBondContact O-N 3.3Å; V136-Q138 WeakPolarHBondContact CG1-O 3.28Å; V136-L148 HydrophobicContact CG2-CD2 3.96Å; V136-F150 HydrophobicContact CG2-CD1 4.35Å; V136-F150 HydrophobicContact CG2-CE1 3.66Å; V136-F150 HydrophobicContact CG2-CZ 4.26Å; V136-V185 HydrophobicContact CG1-CG1 4.22Å; V136-A189 HydrophobicContact CB-CB 4.08Å
137	S	74.2	Confident	82.8	Confident	25 Å²	25	41.3 Å²	41.3	18%	0.175	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-45.5	177.8	-177.9	0	0	0	0	111.9	E149 H151 K233	S137-E149 WeakPolarHBondContact CB-O 3.48Å; S137-E149 PolarHBondContact N-O 3.4Å; S137-H151 WeakPolarHBondContact CB-ND1 3.42Å; S137-H151 PolarHBondContact OG-CE1 3.25Å; S137-H151 PolarHBondContact OG-ND1 3.39Å; S137-K233 PolarHBondContact O-NZ 2.79Å; S137-K233 VanDerWaalsContact O-NZ 3.07Å
138	Q	75.8	Confident	82.9	Confident	87 Å²	87	41 Å²	41	41%	0.407	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157	179	-58.4	-169	104.3	0	0	109.7	V136 E149	V136-Q138 WeakPolarHBondContact CG1-O 3.28Å; Q138-E149 HydrophobicContact CB-CB 4.27Å; Q138-E149 PolarHBondContact N-O 3.25Å; Q138-E149 PolarHBondContact NE2-OE2 3.49Å; Q138-E149 PolarHBondContact O-N 3.45Å
139	C	82.3	Confident	82.7	Confident	13 Å²	13	42.1 Å²	42.1	9%	0.088	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.4	169.1	-175	0	0	0	0	107.9	V146 T147 V185 L186	C139-V146 WeakPolarHBondContact SG-CG1 3.35Å; C139-T147 CarbonylContact C-O 3.45Å; C139-T147 WeakPolarHBondContact CA-O 3.48Å; C139-V185 HydrophobicContact CB-CB 4.34Å; C139-V185 HydrophobicContact CB-CG1 3.69Å; C139-L186 HydrophobicContact CB-CD2 3.9Å; C139-L186 HydrophobicContact CB-CG 4.1Å
140	T	81.7	Confident	82.6	Confident	60 Å²	60	39.6 Å²	39.6	37%	0.368	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.1	177.6	61.6	0	0	0	0	111.3	T147	T140-T147 PolarHBondContact N-O 3.11Å; T140-T147 PolarHBondContact O-N 2.88Å; T140-T147 WeakPolarHBondContact OG1-CB 3.27Å
141	T	84.6	Confident	82.1	Confident	86 Å²	86	41.2 Å²	41.2	53%	0.528	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.1	-178.6	49.8	0	0	0	0	111.5	V178 A182	T141-V178 HydrophobicContact CG2-CG1 3.81Å; T141-A182 HydrophobicContact CG2-CB 3.36Å
142	G	82.4	Confident	81.5	Confident	31 Å²	31	45.1 Å²	45.1	32%	0.32	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	176.3	170.7	0	0	0	0	0	110.1	N144 E145	G142-N144 PolarHBondContact O-N 3.32Å; G142-E145 PolarHBondContact N-O 3.28Å; G142-E145 PolarHBondContact O-N 2.84Å; G142-E145 VanDerWaalsContact O-O 3.12Å
143	K	83.4	Confident	81	Confident	189 Å²	189	44.6 Å²	44.6	82%	0.822	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	110.4	179.3	179.7	171.8	-179.4	173.7	0	110.1	E145	K143-E145 PolarHBondContact O-N 2.85Å
144	N	85.9	Confident	80.3	Confident	37 Å²	37	48.1 Å²	48.1	20%	0.198	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	24.5	-175.1	-56.5	48	0	0	0	113.1	G142 Y166 V167 P169	G142-N144 PolarHBondContact O-N 3.32Å; N144-Y166 HydrophobicContact CB-CD2 4.25Å; N144-Y166 HydrophobicContact CB-CE2 3.69Å; N144-Y166 WeakPolarHBondContact O-CA 3.43Å; N144-Y166 VanDerWaalsContact O-CD2 3.26Å; N144-Y166 WeakPolarHBondContact O-CD2 3.35Å; N144-V167 WeakPolarHBondContact CB-O 3.47Å; N144-V167 PolarHBondContact O-N 2.72Å; N144-P169 VanDerWaalsContact ND2-CD 3.33Å; N144-P169 WeakPolarHBondContact ND2-CD 3.35Å; N144-P169 VanDerWaalsContact ND2-CG 3.34Å; N144-P169 WeakPolarHBondContact ND2-CG 3.26Å
145	E	88.4	Confident	80	Confident	67 Å²	67	49 Å²	49	31%	0.313	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.8	-174	-68.1	-178.3	160.2	0	0	110.9	G142 K143 R164 F165 V178	G142-E145 PolarHBondContact N-O 3.28Å; G142-E145 PolarHBondContact O-N 2.84Å; G142-E145 VanDerWaalsContact O-O 3.12Å; K143-E145 PolarHBondContact O-N 2.85Å; E145-R164 VanDerWaalsContact CD-NH2 3.33Å; E145-R164 IonicContact OE1-NH2 2.66Å; E145-R164 PolarHBondContact OE1-NH2 2.98Å; E145-R164 IonicContact OE2-CZ 3.73Å; E145-R164 IonicContact OE2-NE 3.48Å; E145-R164 IonicContact OE2-NH2 3.99Å; E145-R164 PolarHBondContact OE2-NH2 2.96Å; E145-F165 CarbonylContact C-O 3.55Å; E145-F165 VanDerWaalsContact CA-O 3.27Å; E145-F165 WeakPolarHBondContact CA-O 3.15Å; E145-V178 VanDerWaalsContact O-CG1 3.3Å; E145-V178 WeakPolarHBondContact O-CG1 3.21Å
146	V	88.7	Confident	79.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.5	169	-171.2	0	0	0	0	109.7	C139 L148 R164 F165 V167 V178 F181 A182	C139-V146 WeakPolarHBondContact SG-CG1 3.35Å; V146-L148 HydrophobicContact CG1-CD1 4.07Å; V146-R164 WeakPolarHBondContact O-CA 3.5Å; V146-F165 PolarHBondContact N-O 2.92Å; V146-F165 PolarHBondContact O-N 3.19Å; V146-V167 HydrophobicContact CG2-CG2 3.92Å; V146-V178 HydrophobicContact CG2-CB 4.48Å; V146-V178 HydrophobicContact CG2-CG1 3.66Å; V146-F181 HydrophobicContact CB-CD1 3.98Å; V146-F181 HydrophobicContact CB-CE1 4.12Å; V146-F181 HydrophobicContact CG1-CD1 3.81Å; V146-F181 HydrophobicContact CG1-CE1 3.98Å; V146-F181 HydrophobicContact CG2-CB 4.3Å; V146-F181 HydrophobicContact CG2-CD1 3.77Å; V146-F181 HydrophobicContact CG2-CE1 4.37Å; V146-F181 HydrophobicContact CG2-CG 4.19Å; V146-A182 HydrophobicContact CG1-CB 4.35Å
147	T	85.9	Confident	79.7	Confident	17 Å²	17	57.9 Å²	57.9	10%	0.104	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.6	-179.9	-52.2	0	0	0	0	109.7	C139 T140 E162 V163 R164	C139-T147 CarbonylContact C-O 3.45Å; C139-T147 WeakPolarHBondContact CA-O 3.48Å; T140-T147 PolarHBondContact N-O 3.11Å; T140-T147 PolarHBondContact O-N 2.88Å; T140-T147 WeakPolarHBondContact OG1-CB 3.27Å; T147-E162 HydrophobicContact CG2-CG 3.64Å; T147-V163 WeakPolarHBondContact CA-O 3.13Å; T147-R164 HydrophobicContact CG2-CG 3.8Å; T147-R164 VanDerWaalsContact OG1-CG 3.32Å; T147-R164 WeakPolarHBondContact OG1-CG 3.46Å
148	L	87.7	Confident	80.1	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.8	169.3	-73.8	71.6	0	0	0	108.2	L119 V136 V146 F150 E162 V163 F165 F181 V185	L119-L148 HydrophobicContact CD2-CD2 3.77Å; V136-L148 HydrophobicContact CG2-CD2 3.96Å; V146-L148 HydrophobicContact CG1-CD1 4.07Å; L148-F150 HydrophobicContact CB-CE2 3.79Å; L148-F150 HydrophobicContact CB-CZ 3.68Å; L148-F150 HydrophobicContact CD2-CZ 4.06Å; L148-F150 WeakPolarHBondContact O-CE2 3.34Å; L148-E162 WeakPolarHBondContact O-CA 3.33Å; L148-V163 PolarHBondContact N-O 3.45Å; L148-V163 PolarHBondContact O-N 3.03Å; L148-F165 HydrophobicContact CD1-CD2 3.84Å; L148-F165 HydrophobicContact CD1-CE2 3.94Å; L148-F165 HydrophobicContact CD2-CE2 4.41Å; L148-F181 HydrophobicContact CD1-CE1 4.25Å; L148-V185 HydrophobicContact CD2-CG1 4.48Å; L148-V185 HydrophobicContact CG-CG1 4.45Å
149	E	82.1	Confident	80.3	Confident	65 Å²	65	60.1 Å²	60.1	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.6	170.2	-65.6	179.7	-173.1	0	0	109.3	S137 Q138	S137-E149 WeakPolarHBondContact CB-O 3.48Å; S137-E149 PolarHBondContact N-O 3.4Å; Q138-E149 HydrophobicContact CB-CB 4.27Å; Q138-E149 PolarHBondContact N-O 3.25Å; Q138-E149 PolarHBondContact NE2-OE2 3.49Å; Q138-E149 PolarHBondContact O-N 3.45Å
150	F	83.5	Confident	80.4	Confident	18 Å²	18	64.1 Å²	64.1	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.8	-179.3	-67.8	-77	0	0	0	111.7	I131 N135 V136 L148 Q152 L160 M161 V163	I131-F150 HydrophobicContact CD1-CE1 4.44Å; I131-F150 HydrophobicContact CD1-CZ 3.81Å; I131-F150 HydrophobicContact CG2-CE1 3.4Å; I131-F150 VanDerWaalsContact CG2-CE1 3.4Å; I131-F150 HydrophobicContact CG2-CZ 3.75Å; N135-F150 HydrophobicContact CB-CD1 4.24Å; V136-F150 HydrophobicContact CG2-CD1 4.35Å; V136-F150 HydrophobicContact CG2-CE1 3.66Å; V136-F150 HydrophobicContact CG2-CZ 4.26Å; L148-F150 HydrophobicContact CB-CE2 3.79Å; L148-F150 HydrophobicContact CB-CZ 3.68Å; L148-F150 HydrophobicContact CD2-CZ 4.06Å; L148-F150 WeakPolarHBondContact O-CE2 3.34Å; F150-Q152 PolarHBondContact O-N 2.71Å; F150-L160 WeakPolarHBondContact CB-O 3.39Å; F150-L160 HydrophobicContact CD2-CD2 4.19Å; F150-L160 HydrophobicContact CD2-CG 4.01Å; F150-L160 HydrophobicContact CE2-CD2 4.15Å; F150-L160 HydrophobicContact CE2-CG 4.37Å; F150-M161 PolarHBondContact N-O 2.69Å; F150-V163 HydrophobicContact CE2-CB 3.92Å; F150-V163 HydrophobicContact CE2-CG2 3.69Å; F150-V163 HydrophobicContact CZ-CG2 4.41Å
151	H	75.6	Confident	80.4	Confident	55 Å²	55	65.3 Å²	65.3	26%	0.255	34%	0.341	S	S	.	.			trans	-66.3	109.1	168.3	-81.5	-58.6	0	0	0	108.9	K15 N135 S137 N153 K233	K15-H151 WeakPolarHBondContact CE-O 3.43Å; K15-H151 PolarHBondContact NZ-O 2.79Å; N135-H151 PolarHBondContact O-N 3.41Å; S137-H151 WeakPolarHBondContact CB-ND1 3.42Å; S137-H151 PolarHBondContact OG-CE1 3.25Å; S137-H151 PolarHBondContact OG-ND1 3.39Å; H151-N153 PolarHBondContact O-N 3.42Å; H151-K233 PolarHBondContact CE1-NZ 2.77Å; H151-K233 PolarHBondContact NE2-NZ 3.4Å
152	Q	72.4	Confident	80.5	Confident	97 Å²	97	66.2 Å²	66.2	45%	0.453	34%	0.339	S	S	.	.			trans	-36.1	137.8	170.2	178	80	73.2	0	0	111.8	K15 F150 D154 S159 M161	K15-Q152 PolarHBondContact NZ-O 3.35Å; K15-Q152 VanDerWaalsContact NZ-O 3.09Å; F150-Q152 PolarHBondContact O-N 2.71Å; Q152-D154 WeakPolarHBondContact CG-OD1 3.33Å; Q152-S159 VanDerWaalsContact NE2-CB 3.28Å; Q152-S159 PolarHBondContact NE2-OG 2.78Å; Q152-S159 VanDerWaalsContact NE2-OG 3.15Å; Q152-M161 HydrophobicContact CB-CE 4.09Å; Q152-M161 HydrophobicContact CB-SD 4.08Å; Q152-M161 HydrophobicContact CG-SD 4.36Å; Q152-M161 PolarHBondContact OE1-SD 2.73Å
153	N	72.3	Confident	80.9	Confident	12 Å²	12	66 Å²	66	6%	0.064	33%	0.331	C	S	.	.			trans	-130.6	88.5	174.8	-172.2	13.9	0	0	0	112.3	V14 K15 S17 H151 D155 A156 S159 K264	V14-N153 PolarHBondContact O-ND2 3.47Å; K15-N153 HydrophobicContact CD-CB 4.32Å; K15-N153 HydrophobicContact CG-CB 4.39Å; K15-N153 PolarHBondContact O-ND2 2.86Å; S17-N153 PolarHBondContact OG-ND2 3.26Å; H151-N153 PolarHBondContact O-N 3.42Å; N153-D155 PolarHBondContact O-N 2.99Å; N153-D155 PolarHBondContact OD1-N 3.03Å; N153-A156 WeakPolarHBondContact O-CB 3.21Å; N153-A156 PolarHBondContact O-N 2.8Å; N153-S159 PolarHBondContact N-OG 2.79Å; N153-S159 PolarHBondContact O-OG 2.96Å; N153-K264 PolarHBondContact OD1-NZ 3.04Å
154	D	67.4	Low	81.2	Confident	74 Å²	74	63.4 Å²	63.4	40%	0.396	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	9.2	178.4	-36.6	-39.7	0	0	0	115.3	Q152 K264 R269	Q152-D154 WeakPolarHBondContact CG-OD1 3.33Å; D154-K264 HydrophobicContact CB-CD 3.85Å; D154-K264 WeakPolarHBondContact OD2-CD 3.1Å; D154-R269 PolarHBondContact O-NH2 2.93Å
155	D	68.9	Low	81.4	Confident	64 Å²	64	62.5 Å²	62.5	34%	0.342	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8	166.3	-67.1	-55.1	0	0	0	112.7	S17 N153 K264 R269	S17-D155 WeakPolarHBondContact CB-O 3.23Å; N153-D155 PolarHBondContact O-N 2.99Å; N153-D155 PolarHBondContact OD1-N 3.03Å; D155-K264 VanDerWaalsContact CG-NZ 3.32Å; D155-K264 VanDerWaalsContact N-NZ 3.19Å; D155-K264 IonicContact OD1-NZ 2.71Å; D155-K264 VanDerWaalsContact OD2-CE 3.31Å; D155-K264 WeakPolarHBondContact OD2-CE 3.36Å; D155-K264 IonicContact OD2-NZ 2.85Å; D155-K264 PolarHBondContact OD2-NZ 2.78Å; D155-R269 IonicContact OD1-CZ 3.74Å; D155-R269 IonicContact OD1-NH1 3.77Å; D155-R269 PolarHBondContact OD1-NH1 3.17Å; D155-R269 IonicContact OD1-NH2 3.18Å; D155-R269 PolarHBondContact OD1-NH2 3.07Å; D155-R269 IonicContact OD2-NH1 2.65Å; D155-R269 PolarHBondContact OD2-NH1 3.26Å; D155-R269 IonicContact OD2-NH2 2.76Å
156	A	75.4	Confident	81.4	Confident	12 Å²	12	66.4 Å²	66.4	10%	0.099	32%	0.324	C	S	.	.	S	Bend	trans	-100.7	124.7	170.1	0	0	0	0	0	109	G16 N153 V158	G16-A156 VanDerWaalsContact C-CB 3.48Å; G16-A156 VanDerWaalsContact O-CB 3.28Å; G16-A156 WeakPolarHBondContact O-CB 3.19Å; N153-A156 WeakPolarHBondContact O-CB 3.21Å; N153-A156 PolarHBondContact O-N 2.8Å; A156-V158 PolarHBondContact O-N 3.38Å
157	E	75.5	Confident	81.3	Confident	207 Å²	207	67.2 Å²	67.2	97%	0.967	33%	0.329	S	S	*	.	S	Bend	trans	-57.6	-36.8	177.8	-59.7	-175.4	163.2	0	0	111.9
158	V	82.1	Confident	81.2	Confident	129 Å²	129	70.3 Å²	70.3	78%	0.782	35%	0.349	S	S	*	.	S	Bend	trans	-118.6	106.7	170.6	-177.6	0	0	0	0	108.2	A156	A156-V158 PolarHBondContact O-N 3.38Å
159	S	80.9	Confident	80.7	Confident	29 Å²	29	74.2 Å²	74.2	20%	0.203	38%	0.375	C	S	.	.			trans	-89.2	129.1	172.7	-76.2	0	0	0	0	111.2	Q152 N153	Q152-S159 VanDerWaalsContact NE2-CB 3.28Å; Q152-S159 PolarHBondContact NE2-OG 2.78Å; Q152-S159 VanDerWaalsContact NE2-OG 3.15Å; N153-S159 PolarHBondContact N-OG 2.79Å; N153-S159 PolarHBondContact O-OG 2.96Å
160	L	83.9	Confident	80.1	Confident	98 Å²	98	75.5 Å²	75.5	51%	0.513	39%	0.387	S	S	.	.			trans	-70.9	127.9	162.1	-176.5	63.8	0	0	0	109	F150 V163	F150-L160 WeakPolarHBondContact CB-O 3.39Å; F150-L160 HydrophobicContact CD2-CD2 4.19Å; F150-L160 HydrophobicContact CD2-CG 4.01Å; F150-L160 HydrophobicContact CE2-CD2 4.15Å; F150-L160 HydrophobicContact CE2-CG 4.37Å; L160-V163 HydrophobicContact CD1-CG2 3.83Å; L160-V163 HydrophobicContact CD2-CG2 3.8Å; L160-V163 HydrophobicContact CG-CG2 4.11Å
161	M	81.1	Confident	78.8	Confident	84 Å²	84	84 Å²	84	41%	0.414	43%	0.427	S	S	.	.			trans	-113.3	-41.1	-173.1	-67.5	-59.2	-66.3	0	0	113.5	F150 Q152	F150-M161 PolarHBondContact N-O 2.69Å; Q152-M161 HydrophobicContact CB-CE 4.09Å; Q152-M161 HydrophobicContact CB-SD 4.08Å; Q152-M161 HydrophobicContact CG-SD 4.36Å; Q152-M161 PolarHBondContact OE1-SD 2.73Å
162	E	87.2	Confident	78	Confident	105 Å²	105	89.2 Å²	89.2	49%	0.491	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	135.6	-174.8	-170.4	-173	141.3	0	0	108.3	T147 L148 R164	T147-E162 HydrophobicContact CG2-CG 3.64Å; L148-E162 WeakPolarHBondContact O-CA 3.33Å; E162-R164 WeakPolarHBondContact OE1-CD 3.26Å
163	V	89.7	Confident	77	Confident	26 Å²	26	92 Å²	92	16%	0.158	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.8	166.7	173.6	0	0	0	0	108.2	I131 T147 L148 F150 L160 F165	I131-V163 HydrophobicContact CD1-CG2 4.37Å; T147-V163 WeakPolarHBondContact CA-O 3.13Å; L148-V163 PolarHBondContact N-O 3.45Å; L148-V163 PolarHBondContact O-N 3.03Å; F150-V163 HydrophobicContact CE2-CB 3.92Å; F150-V163 HydrophobicContact CE2-CG2 3.69Å; F150-V163 HydrophobicContact CZ-CG2 4.41Å; L160-V163 HydrophobicContact CD1-CG2 3.83Å; L160-V163 HydrophobicContact CD2-CG2 3.8Å; L160-V163 HydrophobicContact CG-CG2 4.11Å; V163-F165 HydrophobicContact CG1-CD2 4.16Å; V163-F165 HydrophobicContact CG1-CE2 3.76Å; V163-F165 HydrophobicContact CG1-CZ 4.02Å
164	R	90	Very high	76.4	Confident	136 Å²	136	95.9 Å²	95.9	51%	0.513	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.5	175.7	-82.3	171	62	-165.2	-0.2	110.9	E145 V146 T147 E162	E145-R164 VanDerWaalsContact CD-NH2 3.33Å; E145-R164 IonicContact OE1-NH2 2.66Å; E145-R164 PolarHBondContact OE1-NH2 2.98Å; E145-R164 IonicContact OE2-CZ 3.73Å; E145-R164 IonicContact OE2-NE 3.48Å; E145-R164 IonicContact OE2-NH2 3.99Å; E145-R164 PolarHBondContact OE2-NH2 2.96Å; V146-R164 WeakPolarHBondContact O-CA 3.5Å; T147-R164 HydrophobicContact CG2-CG 3.8Å; T147-R164 VanDerWaalsContact OG1-CG 3.32Å; T147-R164 WeakPolarHBondContact OG1-CG 3.46Å; E162-R164 WeakPolarHBondContact OE1-CD 3.26Å
165	F	90.2	Very high	76.3	Confident	17 Å²	17	97.1 Å²	97.1	8%	0.075	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.4	170.6	-66.9	-82.7	0	0	0	109.6	V112 L119 F121 F129 E145 V146 L148 V163 F181	V112-F165 HydrophobicContact CG2-CD1 3.98Å; V112-F165 HydrophobicContact CG2-CE1 3.88Å; L119-F165 HydrophobicContact CD2-CE2 3.84Å; L119-F165 HydrophobicContact CD2-CZ 3.96Å; F121-F165 HydrophobicContact CB-CE1 4.49Å; F121-F165 HydrophobicContact CD2-CE1 4.09Å; F121-F165 HydrophobicContact CG-CE1 4.4Å; F129-F165 HydrophobicContact CE2-CE1 4.31Å; F129-F165 AromaticContact CE2-CZ 3.88Å; F129-F165 HydrophobicContact CE2-CZ 3.88Å; F129-F165 AromaticContact CZ-CE1 3.73Å; F129-F165 HydrophobicContact CZ-CE1 3.73Å; F129-F165 AromaticContact CZ-CZ 3.72Å; F129-F165 HydrophobicContact CZ-CZ 3.72Å; E145-F165 CarbonylContact C-O 3.55Å; E145-F165 VanDerWaalsContact CA-O 3.27Å; E145-F165 WeakPolarHBondContact CA-O 3.15Å; V146-F165 PolarHBondContact N-O 2.92Å; V146-F165 PolarHBondContact O-N 3.19Å; L148-F165 HydrophobicContact CD1-CD2 3.84Å; L148-F165 HydrophobicContact CD1-CE2 3.94Å; L148-F165 HydrophobicContact CD2-CE2 4.41Å; V163-F165 HydrophobicContact CG1-CD2 4.16Å; V163-F165 HydrophobicContact CG1-CE2 3.76Å; V163-F165 HydrophobicContact CG1-CZ 4.02Å; F165-F181 HydrophobicContact CD2-CE1 4.44Å; F165-F181 HydrophobicContact CD2-CZ 4.03Å; F165-F181 HydrophobicContact CE2-CZ 4.36Å; F165-F181 HydrophobicContact CG-CZ 4.37Å
166	Y	89.5	Confident	76.9	Confident	149 Å²	149	98.1 Å²	98.1	58%	0.584	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	127	161	177.2	-100	0	0	0	108.7	N144 P168	N144-Y166 HydrophobicContact CB-CD2 4.25Å; N144-Y166 HydrophobicContact CB-CE2 3.69Å; N144-Y166 WeakPolarHBondContact O-CA 3.43Å; N144-Y166 VanDerWaalsContact O-CD2 3.26Å; N144-Y166 WeakPolarHBondContact O-CD2 3.35Å; Y166-P168 HydrophobicContact CD1-CG 4.25Å; Y166-P168 HydrophobicContact CE1-CB 4.29Å; Y166-P168 HydrophobicContact CE1-CG 4.02Å
167	V	86.4	Confident	77.1	Confident	18 Å²	18	99.2 Å²	99.2	11%	0.109	53%	0.533	C	S	.	.			trans	-107.9	112.7	176.1	-179.9	0	0	0	0	107.7	N144 V146 P177 V178	N144-V167 WeakPolarHBondContact CB-O 3.47Å; N144-V167 PolarHBondContact O-N 2.72Å; V146-V167 HydrophobicContact CG2-CG2 3.92Å; V167-P177 HydrophobicContact CG1-CB 3.91Å; V167-P177 HydrophobicContact CG1-CG 4.16Å; V167-V178 HydrophobicContact CB-CG2 4.12Å; V167-V178 HydrophobicContact CG1-CG2 4.34Å
168	P	83.1	Confident	77.5	Confident	82 Å²	82	89.6 Å²	89.6	53%	0.532	49%	0.489	S	S	.	.			trans	-59	141	176.7	-23.8	34.1	0	0	0	111.5	Y166 T170	Y166-P168 HydrophobicContact CD1-CG 4.25Å; Y166-P168 HydrophobicContact CE1-CB 4.29Å; Y166-P168 HydrophobicContact CE1-CG 4.02Å; P168-T170 PolarHBondContact O-N 3.48Å; P168-T170 VanDerWaalsContact O-N 3.11Å
169	P	77.6	Confident	77.5	Confident	82 Å²	82	88.6 Å²	88.6	53%	0.532	48%	0.476	S	S	.	.			trans	-77.1	100.1	177.8	31.5	-30.3	0	0	0	109.9	N144	N144-P169 VanDerWaalsContact ND2-CD 3.33Å; N144-P169 WeakPolarHBondContact ND2-CD 3.35Å; N144-P169 VanDerWaalsContact ND2-CG 3.34Å; N144-P169 WeakPolarHBondContact ND2-CG 3.26Å
170	T	70.1	Confident	77.6	Confident	92 Å²	92	89 Å²	89	56%	0.564	48%	0.481	S	S	*	.			trans	-68.8	148.9	167.3	45	0	0	0	0	110.5	P168	P168-T170 PolarHBondContact O-N 3.48Å; P168-T170 VanDerWaalsContact O-N 3.11Å
171	Q	55.8	Low	77.6	Confident	197 Å²	197	85.5 Å²	85.5	92%	0.921	46%	0.461	S	S	*	.			trans	-100	4.2	-176.4	-69.8	-170.5	-15.4	0	0	114.1
172	E	57.7	Low	77.7	Confident	164 Å²	164	81.7 Å²	81.7	77%	0.766	44%	0.443	S	S	*	.	S	Bend	trans	-102.5	137.3	-174.1	-65.6	177.7	140.5	0	0	112.2
173	D	52	Low	77.4	Confident	155 Å²	155	81.7 Å²	81.7	83%	0.829	44%	0.443	S	S	*	.	S	Bend	trans	45.4	66.1	161.1	-64.3	-9.4	0	0	0	119.7	V175	D173-V175 PolarHBondContact O-N 3.32Å
174	G	59	Low	77	Confident	93 Å²	93	83.5 Å²	83.5	96%	0.959	45%	0.452	S	S	*	.	S	Bend	trans	73.6	-15.6	134.8	0	0	0	0	0	118.9
175	V	67.1	Low	76.6	Confident	100 Å²	100	77 Å²	77	61%	0.606	43%	0.428	S	S	*	.	S	Bend	trans	-109.4	128.6	176.5	-170.9	0	0	0	0	108.6	D173 P177 A180	D173-V175 PolarHBondContact O-N 3.32Å; V175-P177 WeakPolarHBondContact O-CD 3.45Å; V175-A180 HydrophobicContact CG1-CB 3.94Å
176	D	80.1	Confident	75.9	Confident	85 Å²	85	77.6 Å²	77.6	46%	0.455	43%	0.431	S	S	.	.			trans	-63	120.1	174.9	-174.2	-21.7	0	0	0	109.1	V178 E179 A180	D176-V178 PolarHBondContact O-N 3.14Å; D176-V178 WeakPolarHBondContact OD1-CB 3.34Å; D176-V178 VanDerWaalsContact OD1-CG2 3.26Å; D176-V178 WeakPolarHBondContact OD1-CG2 3.28Å; D176-V178 PolarHBondContact OD1-N 2.68Å; D176-E179 HydrophobicContact CB-CB 4.05Å; D176-E179 PolarHBondContact O-N 3.15Å; D176-A180 PolarHBondContact O-N 3.04Å
177	P	81.3	Confident	75.2	Confident	35 Å²	35	74.6 Å²	74.6	23%	0.227	43%	0.432	C	S	.	.	H	α-helix	trans	-61.4	-25.4	179.8	26.8	-37.1	0	0	0	112.4	V167 V175 F181	V167-P177 HydrophobicContact CG1-CB 3.91Å; V167-P177 HydrophobicContact CG1-CG 4.16Å; V175-P177 WeakPolarHBondContact O-CD 3.45Å; P177-F181 WeakPolarHBondContact O-CB 3.45Å; P177-F181 PolarHBondContact O-N 3.02Å
178	V	83.3	Confident	74.5	Confident	5 Å²	5	76.9 Å²	76.9	3%	0.03	44%	0.441	C	S	.	.	H	α-helix	trans	-65.8	-43.6	172.6	-176	0	0	0	0	110.5	T141 E145 V146 V167 D176 A182	T141-V178 HydrophobicContact CG2-CG1 3.81Å; E145-V178 VanDerWaalsContact O-CG1 3.3Å; E145-V178 WeakPolarHBondContact O-CG1 3.21Å; V146-V178 HydrophobicContact CG2-CB 4.48Å; V146-V178 HydrophobicContact CG2-CG1 3.66Å; V167-V178 HydrophobicContact CB-CG2 4.12Å; V167-V178 HydrophobicContact CG1-CG2 4.34Å; D176-V178 PolarHBondContact O-N 3.14Å; D176-V178 WeakPolarHBondContact OD1-CB 3.34Å; D176-V178 VanDerWaalsContact OD1-CG2 3.26Å; D176-V178 WeakPolarHBondContact OD1-CG2 3.28Å; D176-V178 PolarHBondContact OD1-N 2.68Å; V178-A182 WeakPolarHBondContact O-CB 3.43Å; V178-A182 PolarHBondContact O-N 3.48Å
179	E	82	Confident	73.8	Confident	109 Å²	109	73.4 Å²	73.4	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-76	-42.3	-179.5	-171.1	160.7	-150.8	0	0	111.4	D176 F181 A182 Q183	D176-E179 HydrophobicContact CB-CB 4.05Å; D176-E179 PolarHBondContact O-N 3.15Å; E179-F181 VanDerWaalsContact C-N 3.27Å; E179-F181 PolarHBondContact O-N 3.43Å; E179-A182 PolarHBondContact O-N 3.2Å; E179-A182 VanDerWaalsContact O-N 3.14Å; E179-Q183 HydrophobicContact CG-CG 4.25Å; E179-Q183 WeakPolarHBondContact O-CB 2.87Å; E179-Q183 VanDerWaalsContact O-CG 3.28Å; E179-Q183 WeakPolarHBondContact O-CG 3.47Å; E179-Q183 PolarHBondContact O-N 2.97Å
180	A	83.6	Confident	72.9	Confident	37 Å²	37	71.3 Å²	71.3	31%	0.306	40%	0.403	S	S	.	.	H	α-helix	trans	-57.3	-40.2	172.8	0	0	0	0	0	112.3	V175 D176 N184	V175-A180 HydrophobicContact CG1-CB 3.94Å; D176-A180 PolarHBondContact O-N 3.04Å; A180-N184 WeakPolarHBondContact O-CB 3.22Å; A180-N184 PolarHBondContact O-N 3.1Å; A180-N184 VanDerWaalsContact O-N 3.1Å; A180-N184 PolarHBondContact O-ND2 3.4Å
181	F	83.8	Confident	72.3	Confident	25 Å²	25	67.2 Å²	67.2	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-49.7	173.2	-174.6	-71.6	0	0	0	111.4	V112 F114 L119 V146 L148 F165 P177 E179 Q183 N184 V185	V112-F181 HydrophobicContact CB-CE2 3.78Å; V112-F181 HydrophobicContact CB-CZ 4.47Å; V112-F181 HydrophobicContact CG1-CE2 3.59Å; V112-F181 HydrophobicContact CG1-CZ 3.94Å; V112-F181 HydrophobicContact CG2-CE2 3.9Å; V112-F181 HydrophobicContact CG2-CZ 4.35Å; F114-F181 HydrophobicContact CE2-CD2 4.2Å; F114-F181 HydrophobicContact CE2-CE2 4.23Å; F114-F181 HydrophobicContact CZ-CD1 4.4Å; F114-F181 HydrophobicContact CZ-CD2 4.22Å; F114-F181 HydrophobicContact CZ-CE1 4.37Å; F114-F181 HydrophobicContact CZ-CE2 4.2Å; F114-F181 HydrophobicContact CZ-CG 4.33Å; F114-F181 HydrophobicContact CZ-CZ 4.27Å; L119-F181 HydrophobicContact CD1-CZ 4.29Å; V146-F181 HydrophobicContact CB-CD1 3.98Å; V146-F181 HydrophobicContact CB-CE1 4.12Å; V146-F181 HydrophobicContact CG1-CD1 3.81Å; V146-F181 HydrophobicContact CG1-CE1 3.98Å; V146-F181 HydrophobicContact CG2-CB 4.3Å; V146-F181 HydrophobicContact CG2-CD1 3.77Å; V146-F181 HydrophobicContact CG2-CE1 4.37Å; V146-F181 HydrophobicContact CG2-CG 4.19Å; L148-F181 HydrophobicContact CD1-CE1 4.25Å; F165-F181 HydrophobicContact CD2-CE1 4.44Å; F165-F181 HydrophobicContact CD2-CZ 4.03Å; F165-F181 HydrophobicContact CE2-CZ 4.36Å; F165-F181 HydrophobicContact CG-CZ 4.37Å; P177-F181 WeakPolarHBondContact O-CB 3.45Å; P177-F181 PolarHBondContact O-N 3.02Å; E179-F181 VanDerWaalsContact C-N 3.27Å; E179-F181 PolarHBondContact O-N 3.43Å; F181-Q183 PolarHBondContact O-N 2.94Å; F181-N184 WeakPolarHBondContact O-CB 3.23Å; F181-N184 PolarHBondContact O-N 3.14Å; F181-N184 VanDerWaalsContact O-N 3.14Å; F181-V185 HydrophobicContact CD1-CG2 3.95Å; F181-V185 HydrophobicContact CE1-CG2 3.69Å; F181-V185 PolarHBondContact O-N 2.69Å
182	A	82.6	Confident	72.2	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-39.1	-178.5	0	0	0	0	0	112.3	T141 V146 V178 E179 N184 V185 L186	T141-A182 HydrophobicContact CG2-CB 3.36Å; V146-A182 HydrophobicContact CG1-CB 4.35Å; V178-A182 WeakPolarHBondContact O-CB 3.43Å; V178-A182 PolarHBondContact O-N 3.48Å; E179-A182 PolarHBondContact O-N 3.2Å; E179-A182 VanDerWaalsContact O-N 3.14Å; A182-N184 VanDerWaalsContact C-N 3.35Å; A182-V185 PolarHBondContact O-N 2.7Å; A182-L186 WeakPolarHBondContact O-CB 3.43Å; A182-L186 VanDerWaalsContact O-CG 3.23Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.41Å
183	Q	80.8	Confident	71.8	Confident	104 Å²	104	60.9 Å²	60.9	49%	0.486	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-36.6	173.4	-65.1	-65.8	-4.5	0	0	111.8	E179 F181 V185 L186 S187	E179-Q183 HydrophobicContact CG-CG 4.25Å; E179-Q183 WeakPolarHBondContact O-CB 2.87Å; E179-Q183 VanDerWaalsContact O-CG 3.28Å; E179-Q183 WeakPolarHBondContact O-CG 3.47Å; E179-Q183 PolarHBondContact O-N 2.97Å; F181-Q183 PolarHBondContact O-N 2.94Å; Q183-V185 VanDerWaalsContact C-N 3.33Å; Q183-V185 PolarHBondContact O-N 2.79Å; Q183-L186 PolarHBondContact O-N 3.44Å; Q183-S187 VanDerWaalsContact O-CB 3.29Å; Q183-S187 WeakPolarHBondContact O-CB 3.18Å; Q183-S187 PolarHBondContact O-N 2.88Å; Q183-S187 PolarHBondContact O-OG 2.82Å
184	N	82.1	Confident	71.4	Confident	65 Å²	65	56 Å²	56	35%	0.348	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-31.4	171.8	-91.6	-80	0	0	0	113.4	F114 A180 F181 A182 K188	F114-N184 HydrophobicContact CD1-CB 4.28Å; F114-N184 HydrophobicContact CE1-CB 3.77Å; F114-N184 HydrophobicContact CE2-CB 4.18Å; F114-N184 HydrophobicContact CZ-CB 3.72Å; A180-N184 WeakPolarHBondContact O-CB 3.22Å; A180-N184 PolarHBondContact O-N 3.1Å; A180-N184 VanDerWaalsContact O-N 3.1Å; A180-N184 PolarHBondContact O-ND2 3.4Å; F181-N184 WeakPolarHBondContact O-CB 3.23Å; F181-N184 PolarHBondContact O-N 3.14Å; F181-N184 VanDerWaalsContact O-N 3.14Å; A182-N184 VanDerWaalsContact C-N 3.35Å; N184-K188 WeakPolarHBondContact O-CD 3.49Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact OD1-NZ 3.47Å
185	V	81.8	Confident	71	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72.4	-51.7	170.8	171.9	0	0	0	0	110.5	F114 L133 V136 C139 L148 F181 A182 Q183 S187 K188 A189	F114-V185 HydrophobicContact CE1-CG2 3.83Å; F114-V185 HydrophobicContact CZ-CG2 4.02Å; L133-V185 HydrophobicContact CD2-CG1 4.22Å; L133-V185 HydrophobicContact CD2-CG2 4.44Å; V136-V185 HydrophobicContact CG1-CG1 4.22Å; C139-V185 HydrophobicContact CB-CB 4.34Å; C139-V185 HydrophobicContact CB-CG1 3.69Å; L148-V185 HydrophobicContact CD2-CG1 4.48Å; L148-V185 HydrophobicContact CG-CG1 4.45Å; F181-V185 HydrophobicContact CD1-CG2 3.95Å; F181-V185 HydrophobicContact CE1-CG2 3.69Å; F181-V185 PolarHBondContact O-N 2.69Å; A182-V185 PolarHBondContact O-N 2.7Å; Q183-V185 VanDerWaalsContact C-N 3.33Å; Q183-V185 PolarHBondContact O-N 2.79Å; V185-S187 PolarHBondContact O-N 2.65Å; V185-K188 PolarHBondContact O-N 3.31Å; V185-K188 VanDerWaalsContact O-N 3.14Å; V185-A189 VanDerWaalsContact O-CB 3.28Å; V185-A189 WeakPolarHBondContact O-CB 3.36Å; V185-A189 PolarHBondContact O-N 3.07Å
186	L	75.3	Confident	70.6	Confident	29 Å²	29	51.1 Å²	51.1	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-38.8	-174.1	-72.8	169.3	0	0	0	113.1	C139 A182 Q183 K188 V191 A194	C139-L186 HydrophobicContact CB-CD2 3.9Å; C139-L186 HydrophobicContact CB-CG 4.1Å; A182-L186 WeakPolarHBondContact O-CB 3.43Å; A182-L186 VanDerWaalsContact O-CG 3.23Å; A182-L186 WeakPolarHBondContact O-CG 3.31Å; A182-L186 PolarHBondContact O-N 3.41Å; Q183-L186 PolarHBondContact O-N 3.44Å; L186-K188 PolarHBondContact O-N 2.98Å; L186-V191 HydrophobicContact CD2-CB 3.98Å; L186-V191 HydrophobicContact CD2-CG1 3.73Å; L186-V191 HydrophobicContact CD2-CG2 4.1Å; L186-A194 HydrophobicContact CB-CB 4.33Å; L186-A194 VanDerWaalsContact O-CB 3.31Å; L186-A194 WeakPolarHBondContact O-CB 3.39Å
187	S	73.6	Confident	70.1	Confident	85 Å²	85	53.4 Å²	53.4	59%	0.594	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.6	177	55.3	0	0	0	0	114.5	Q183 V185	Q183-S187 VanDerWaalsContact O-CB 3.29Å; Q183-S187 WeakPolarHBondContact O-CB 3.18Å; Q183-S187 PolarHBondContact O-N 2.88Å; Q183-S187 PolarHBondContact O-OG 2.82Å; V185-S187 PolarHBondContact O-N 2.65Å
188	K	72.7	Confident	70.3	Confident	67 Å²	67	52.4 Å²	52.4	29%	0.291	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-1.3	-174.9	-64.7	176.7	-177.2	168.7	0	113.9	F114 L133 N184 V185 L186	F114-K188 HydrophobicContact CD1-CD 4.41Å; L133-K188 WeakPolarHBondContact CB-O 3.38Å; L133-K188 HydrophobicContact CD1-CB 3.58Å; L133-K188 HydrophobicContact CD1-CD 4.2Å; N184-K188 WeakPolarHBondContact O-CD 3.49Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact OD1-NZ 3.47Å; V185-K188 PolarHBondContact O-N 3.31Å; V185-K188 VanDerWaalsContact O-N 3.14Å; L186-K188 PolarHBondContact O-N 2.98Å
189	A	67.1	Low	70.5	Confident	9 Å²	9	52.6 Å²	52.6	7%	0.074	30%	0.3	C	S	.	.	S	Bend	trans	-112.1	153.9	177.5	0	0	0	0	0	110.7	L133 V136 V185 V191	L133-A189 HydrophobicContact CB-CB 4.2Å; L133-A189 WeakPolarHBondContact O-CB 3.39Å; V136-A189 HydrophobicContact CB-CB 4.08Å; V185-A189 VanDerWaalsContact O-CB 3.28Å; V185-A189 WeakPolarHBondContact O-CB 3.36Å; V185-A189 PolarHBondContact O-N 3.07Å; A189-V191 HydrophobicContact CB-CG2 3.82Å; A189-V191 PolarHBondContact O-N 3.09Å
190	D	59.5	Low	70.9	Confident	38 Å²	38	47.8 Å²	47.8	20%	0.203	28%	0.279	C	S	.	.			trans	-75	52.7	177.8	-71.9	-75.6	0	0	0	112.4	T221 F222 K233	D190-T221 PolarHBondContact OD1-OG1 2.77Å; D190-F222 HydrophobicContact CB-CD1 4.11Å; D190-F222 HydrophobicContact CB-CE1 4.04Å; D190-K233 PolarHBondContact O-NZ 3.39Å
191	V	57.3	Low	71.2	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.036	28%	0.279	C	S	.	.			trans	-94	119.5	-178.8	-175.4	0	0	0	0	109.8	L186 A189 Q193 A194 T195	L186-V191 HydrophobicContact CD2-CB 3.98Å; L186-V191 HydrophobicContact CD2-CG1 3.73Å; L186-V191 HydrophobicContact CD2-CG2 4.1Å; A189-V191 HydrophobicContact CB-CG2 3.82Å; A189-V191 PolarHBondContact O-N 3.09Å; V191-Q193 HydrophobicContact CG1-CB 4.35Å; V191-Q193 PolarHBondContact O-N 3.44Å; V191-A194 PolarHBondContact O-N 3.38Å; V191-T195 PolarHBondContact O-N 3.14Å
192	I	53.3	Low	71.7	Confident	52 Å²	52	47.8 Å²	47.8	27%	0.267	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.9	-173.6	-70.5	163.6	0	0	0	113	A194 T195 F222 K233	I192-A194 VanDerWaalsContact C-N 3.25Å; I192-A194 PolarHBondContact O-N 2.75Å; I192-T195 WeakPolarHBondContact CA-OG1 3.37Å; I192-T195 PolarHBondContact O-N 3.01Å; I192-T195 PolarHBondContact O-OG1 3.33Å; I192-F222 HydrophobicContact CG1-CE2 3.99Å; I192-F222 HydrophobicContact CG1-CZ 3.84Å; I192-K233 HydrophobicContact CD1-CD 4.27Å; I192-K233 HydrophobicContact CD1-CG 4.06Å; I192-K233 HydrophobicContact CG1-CD 4.44Å
193	Q	49.7	Very low	72.1	Confident	176 Å²	176	56.2 Å²	56.2	82%	0.822	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.7	-178.3	-159.3	170.3	2.1	0	0	113.8	V191	V191-Q193 HydrophobicContact CG1-CB 4.35Å; V191-Q193 PolarHBondContact O-N 3.44Å
194	A	42.8	Very low	72.6	Confident	53 Å²	53	55.2 Å²	55.2	44%	0.438	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-20.9	176.6	0	0	0	0	0	113.3	L186 V191 I192 G196	L186-A194 HydrophobicContact CB-CB 4.33Å; L186-A194 VanDerWaalsContact O-CB 3.31Å; L186-A194 WeakPolarHBondContact O-CB 3.39Å; V191-A194 PolarHBondContact O-N 3.38Å; I192-A194 VanDerWaalsContact C-N 3.25Å; I192-A194 PolarHBondContact O-N 2.75Å; A194-G196 VanDerWaalsContact C-N 3.25Å; A194-G196 PolarHBondContact O-N 2.82Å
195	T	51.3	Low	73.2	Confident	39 Å²	39	52.5 Å²	52.5	24%	0.239	29%	0.285	C	S	.	.	S	Bend	trans	-79.8	6	-174.9	51.8	0	0	0	0	115.5	V191 I192 F222	V191-T195 PolarHBondContact O-N 3.14Å; I192-T195 WeakPolarHBondContact CA-OG1 3.37Å; I192-T195 PolarHBondContact O-N 3.01Å; I192-T195 PolarHBondContact O-OG1 3.33Å; T195-F222 HydrophobicContact CG2-CE1 4.14Å; T195-F222 HydrophobicContact CG2-CZ 4.43Å
196	G	59.8	Low	73.8	Confident	51 Å²	51	56.6 Å²	56.6	53%	0.526	31%	0.305	S	S	.	.			trans	69.4	-157.2	177.1	0	0	0	0	0	114.6	A194	A194-G196 VanDerWaalsContact C-N 3.25Å; A194-G196 PolarHBondContact O-N 2.82Å
197	D	69.4	Low	74.8	Confident	133 Å²	133	55.3 Å²	55.3	71%	0.711	30%	0.298	S	S	*	.	S	Bend	trans	-72.9	151.5	177	-83.4	-41.7	0	0	0	112.6	N288	D197-N288 WeakPolarHBondContact CB-ND2 3.35Å
198	A	84.1	Confident	75.7	Confident	13 Å²	13	52.3 Å²	52.3	11%	0.107	28%	0.275	C	S	.	.			trans	-67.6	136.6	173.2	0	0	0	0	0	111.2	C200 I201 R217 I218 Y219	A198-C200 PolarHBondContact O-N 3.05Å; A198-I201 HydrophobicContact CB-CD1 4.24Å; A198-I201 HydrophobicContact CB-CG1 3.84Å; A198-R217 HydrophobicContact CB-CB 4.07Å; A198-I218 CarbonylContact C-O 3.59Å; A198-I218 WeakPolarHBondContact CA-O 3.5Å; A198-I218 WeakPolarHBondContact CB-O 3.46Å; A198-Y219 HydrophobicContact CB-CE1 4.19Å; A198-Y219 HydrophobicContact CB-CE2 4.38Å
199	I	87.7	Confident	76.6	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.051	27%	0.266	C	S	.	.	S	Bend	trans	-57	-41	177	-59.8	173.2	0	0	0	110.2	I218 P220 L287 N288 M289	I199-I218 HydrophobicContact CB-CG2 4.09Å; I199-I218 HydrophobicContact CD1-CG2 4.35Å; I199-I218 PolarHBondContact N-O 3.2Å; I199-P220 HydrophobicContact CD1-CG 4.18Å; I199-L287 HydrophobicContact CG2-CB 4.37Å; I199-L287 HydrophobicContact CG2-CD2 4.31Å; I199-L287 WeakPolarHBondContact O-CA 3.28Å; I199-N288 PolarHBondContact O-N 3.32Å; I199-M289 HydrophobicContact CD1-SD 4.02Å; I199-M289 HydrophobicContact CG1-SD 4.11Å; I199-M289 HydrophobicContact CG2-CG 4.17Å; I199-M289 HydrophobicContact CG2-SD 3.98Å
200	C	90	Very high	77.7	Confident	8 Å²	8	49.5 Å²	49.5	5%	0.054	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.1	169.4	66.2	0	0	0	0	110.9	A198 I218 L285 L287	A198-C200 PolarHBondContact O-N 3.05Å; C200-I218 PolarHBondContact O-N 2.98Å; C200-I218 VanDerWaalsContact SG-CG1 3.52Å; C200-L285 HydrophobicContact CB-CD1 4Å; C200-L285 HydrophobicContact CB-CD2 4.1Å; C200-L285 HydrophobicContact CB-CG 4.14Å; C200-L287 HydrophobicContact CB-CD2 4.02Å
201	I	91.6	Very high	79.3	Confident	60 Å²	60	57 Å²	57	31%	0.308	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	114.4	179.8	-53.7	179.2	0	0	0	110.2	A198 R203 D215 I216 R217	A198-I201 HydrophobicContact CB-CD1 4.24Å; A198-I201 HydrophobicContact CB-CG1 3.84Å; I201-R203 HydrophobicContact CG2-CG 3.81Å; I201-D215 HydrophobicContact CG2-CB 4.46Å; I201-I216 WeakPolarHBondContact CA-O 3.46Å; I201-R217 HydrophobicContact CD1-CG 4.21Å; I201-R217 HydrophobicContact CG1-CB 4.36Å; I201-R217 HydrophobicContact CG1-CG 4.07Å; I201-R217 HydrophobicContact CG2-CG 3.98Å
202	F	92.9	Very high	80.9	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.7	165.5	-55.3	-79.8	0	0	0	108.6	L205 D215 I216 I218 I283 L285 L310 M313 V314 V317	F202-L205 HydrophobicContact CB-CD1 3.75Å; F202-L205 HydrophobicContact CB-CD2 4.1Å; F202-L205 HydrophobicContact CB-CG 4.01Å; F202-D215 CarbonylContact O-C 3.48Å; F202-D215 VanDerWaalsContact O-CA 3.26Å; F202-D215 WeakPolarHBondContact O-CA 3.3Å; F202-I216 HydrophobicContact CB-CB 4.44Å; F202-I216 HydrophobicContact CD2-CB 4.46Å; F202-I216 HydrophobicContact CD2-CG2 4.45Å; F202-I216 PolarHBondContact N-O 2.85Å; F202-I216 PolarHBondContact O-N 2.8Å; F202-I218 HydrophobicContact CD2-CG1 4.41Å; F202-I218 HydrophobicContact CE2-CG1 4.11Å; F202-I283 HydrophobicContact CD1-CD1 4.01Å; F202-I283 HydrophobicContact CE1-CD1 4.42Å; F202-L285 HydrophobicContact CD1-CD1 4.41Å; F202-L285 HydrophobicContact CE1-CD1 4.01Å; F202-L285 HydrophobicContact CE1-CD2 3.93Å; F202-L285 HydrophobicContact CZ-CD1 4.44Å; F202-L285 HydrophobicContact CZ-CD2 3.76Å; F202-L310 HydrophobicContact CD1-CD1 3.84Å; F202-L310 HydrophobicContact CE1-CD1 4.38Å; F202-M313 HydrophobicContact CE1-CB 4.4Å; F202-M313 HydrophobicContact CE1-CG 4.07Å; F202-M313 HydrophobicContact CZ-CG 4.47Å; F202-V314 HydrophobicContact CD1-CG2 3.6Å; F202-V314 HydrophobicContact CD2-CG2 4.15Å; F202-V314 HydrophobicContact CE1-CG2 3.58Å; F202-V314 HydrophobicContact CE2-CG2 4.13Å; F202-V314 HydrophobicContact CG-CG2 3.89Å; F202-V314 HydrophobicContact CZ-CG2 3.85Å; F202-V317 HydrophobicContact CE2-CG1 4.25Å; F202-V317 HydrophobicContact CZ-CB 4.24Å; F202-V317 HydrophobicContact CZ-CG1 4.38Å; F202-V317 HydrophobicContact CZ-CG2 4.2Å
203	R	91.8	Very high	82.8	Confident	180 Å²	180	61.9 Å²	61.9	68%	0.679	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.3	-170.6	-62.5	-173.3	-174.4	-157.4	1.6	113.1	I201 L205 D215	I201-R203 HydrophobicContact CG2-CG 3.81Å; R203-L205 PolarHBondContact O-N 2.79Å; R203-L205 VanDerWaalsContact O-N 3.11Å; R203-D215 VanDerWaalsContact CA-OD1 3.27Å; R203-D215 WeakPolarHBondContact CA-OD1 3.18Å
204	E	91.9	Very high	84.9	Confident	84 Å²	84	54.1 Å²	54.1	39%	0.393	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.5	21.7	174.6	-70.7	-115.6	150.3	0	0	115.9	Q206 R213 D215 K228	E204-Q206 PolarHBondContact O-N 3.15Å; E204-R213 WeakPolarHBondContact O-CD 3.26Å; E204-R213 WeakPolarHBondContact O-CG 3.44Å; E204-R213 WeakPolarHBondContact OE2-CD 3.37Å; E204-R213 IonicContact OE2-CZ 3.81Å; E204-R213 IonicContact OE2-NE 2.7Å; E204-R213 IonicContact OE2-NH1 2.65Å; E204-R213 PolarHBondContact OE2-NH1 2.85Å; E204-D215 PolarHBondContact N-OD1 2.86Å; E204-K228 IonicContact OE1-NZ 2.65Å; E204-K228 PolarHBondContact OE1-NZ 3.18Å
205	L	93.9	Very high	87.2	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	132.2	-174.7	-59.6	-164	0	0	0	112.6	F202 R203 C207 R213 Y214 I216 L275 F277 L310	F202-L205 HydrophobicContact CB-CD1 3.75Å; F202-L205 HydrophobicContact CB-CD2 4.1Å; F202-L205 HydrophobicContact CB-CG 4.01Å; R203-L205 PolarHBondContact O-N 2.79Å; R203-L205 VanDerWaalsContact O-N 3.11Å; L205-C207 PolarHBondContact O-N 3.25Å; L205-R213 WeakPolarHBondContact O-CA 3.39Å; L205-Y214 WeakPolarHBondContact CB-O 2.99Å; L205-Y214 PolarHBondContact N-O 2.93Å; L205-Y214 PolarHBondContact O-N 3.36Å; L205-Y214 VanDerWaalsContact O-N 3.08Å; L205-I216 HydrophobicContact CD1-CB 4.43Å; L205-I216 HydrophobicContact CD1-CD1 3.88Å; L205-I216 HydrophobicContact CD1-CG1 4.11Å; L205-L275 HydrophobicContact CD1-CD1 4.15Å; L205-F277 HydrophobicContact CD1-CE1 4.11Å; L205-F277 HydrophobicContact CD1-CZ 4.25Å; L205-F277 HydrophobicContact CD2-CE1 3.96Å; L205-L310 HydrophobicContact CD2-CD1 4.41Å; L205-L310 HydrophobicContact CD2-CD2 3.91Å
206	Q	95.1	Very high	89.3	Confident	87 Å²	87	51.6 Å²	51.6	41%	0.407	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	105.4	-179.2	-179.6	162.4	-49.1	0	0	111.4	E204 L276	E204-Q206 PolarHBondContact O-N 3.15Å; Q206-L276 PolarHBondContact O-N 2.99Å
207	C	94.5	Very high	90.7	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.1	175.8	-57.9	0	0	0	0	110	L205 P210 R211 G212 Y214 I274 L275	L205-C207 PolarHBondContact O-N 3.25Å; C207-P210 CarbonylContact C-O 3.57Å; C207-P210 WeakPolarHBondContact CB-O 3.46Å; C207-R211 WeakPolarHBondContact O-CA 3.32Å; C207-G212 PolarHBondContact N-O 2.87Å; C207-G212 PolarHBondContact O-N 2.83Å; C207-Y214 HydrophobicContact CB-CD2 3.76Å; C207-Y214 HydrophobicContact CB-CE2 4.08Å; C207-Y214 VanDerWaalsContact SG-CD2 3.54Å; C207-I274 CarbonylContact C-O 3.59Å; C207-I274 WeakPolarHBondContact CA-O 3.39Å; C207-L275 HydrophobicContact CB-CD2 4.42Å; C207-L275 WeakPolarHBondContact SG-CD2 3.35Å
208	L	93.6	Very high	91.8	Very high	21 Å²	21	46 Å²	46	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-27.1	173.4	-59.8	-176.7	0	0	0	112.2	F254 I274 L276 H363	L208-F254 HydrophobicContact CD1-CD1 4.04Å; L208-F254 HydrophobicContact CD1-CE1 3.65Å; L208-I274 HydrophobicContact CB-CB 4.2Å; L208-I274 HydrophobicContact CB-CG2 4.06Å; L208-I274 HydrophobicContact CD1-CG2 4.05Å; L208-I274 HydrophobicContact CG-CG2 4.35Å; L208-I274 PolarHBondContact N-O 3.01Å; L208-L276 HydrophobicContact CD1-CB 4.07Å; L208-L276 HydrophobicContact CD1-CD2 4.2Å; L208-L276 HydrophobicContact CD2-CB 4.33Å; L208-L276 HydrophobicContact CD2-CD2 4.1Å; L208-L276 HydrophobicContact CG-CB 4.01Å; L208-L276 HydrophobicContact CG-CD2 4.46Å; L208-H363 HydrophobicContact CB-CB 4.4Å; L208-H363 HydrophobicContact CD1-CB 3.9Å
209	T	91.1	Very high	91.9	Very high	17 Å²	17	46 Å²	46	10%	0.104	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	116.4	179.1	-64.6	0	0	0	0	108.2	Y270 F272 L273 I274 P366	T209-Y270 HydrophobicContact CG2-CD1 3.4Å; T209-Y270 HydrophobicContact CG2-CE1 3.93Å; T209-Y270 HydrophobicContact CG2-CG 4.2Å; T209-F272 WeakPolarHBondContact CG2-O 3.16Å; T209-L273 WeakPolarHBondContact O-CA 3.29Å; T209-I274 PolarHBondContact O-N 3.07Å; T209-P366 HydrophobicContact CG2-CG 4.44Å
210	P	90.9	Very high	91.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	cis	-51.5	145	-19.4	24.5	-34.8	0	0	0	111.7	C207 G212 Y214 L225 Y232 I263 Y270	C207-P210 CarbonylContact C-O 3.57Å; C207-P210 WeakPolarHBondContact CB-O 3.46Å; P210-G212 PolarHBondContact O-N 2.89Å; P210-Y214 HydrophobicContact CB-CE2 4.48Å; P210-Y214 HydrophobicContact CG-CE2 4.13Å; P210-L225 HydrophobicContact CG-CD2 4.46Å; P210-Y232 HydrophobicContact CG-CE2 4.41Å; P210-I263 HydrophobicContact CG-CD1 4.43Å; P210-Y270 HydrophobicContact CB-CD2 4.08Å; P210-Y270 HydrophobicContact CB-CE1 4.49Å; P210-Y270 HydrophobicContact CB-CE2 3.65Å; P210-Y270 HydrophobicContact CG-CD2 4.42Å; P210-Y270 HydrophobicContact CG-CE2 4.43Å
211	R	91.7	Very high	91.1	Very high	197 Å²	197	50.5 Å²	50.5	74%	0.743	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.1	-175.2	-172.6	-177.6	179.2	98.9	-1.6	111.1	C207	C207-R211 WeakPolarHBondContact O-CA 3.32Å
212	G	91.1	Very high	90.9	Very high	28 Å²	28	47.7 Å²	47.7	29%	0.289	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-169.8	178.2	0	0	0	0	0	114.2	C207 P210	C207-G212 PolarHBondContact N-O 2.87Å; C207-G212 PolarHBondContact O-N 2.83Å; P210-G212 PolarHBondContact O-N 2.89Å
213	R	93.3	Very high	90.7	Very high	131 Å²	131	47.6 Å²	47.6	49%	0.494	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.2	160.2	-78.6	-170.2	173.5	-156.4	-10.8	108.6	E204 L205	E204-R213 WeakPolarHBondContact O-CD 3.26Å; E204-R213 WeakPolarHBondContact O-CG 3.44Å; E204-R213 WeakPolarHBondContact OE2-CD 3.37Å; E204-R213 IonicContact OE2-CZ 3.81Å; E204-R213 IonicContact OE2-NE 2.7Å; E204-R213 IonicContact OE2-NH1 2.65Å; E204-R213 PolarHBondContact OE2-NH1 2.85Å; L205-R213 WeakPolarHBondContact O-CA 3.39Å
214	Y	93.4	Very high	90.5	Very high	13 Å²	13	39.8 Å²	39.8	5%	0.051	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.3	-176.8	-65.8	-99.1	0	0	0	110.3	L205 C207 P210 L225 H226 Y232	L205-Y214 WeakPolarHBondContact CB-O 2.99Å; L205-Y214 PolarHBondContact N-O 2.93Å; L205-Y214 PolarHBondContact O-N 3.36Å; L205-Y214 VanDerWaalsContact O-N 3.08Å; C207-Y214 HydrophobicContact CB-CD2 3.76Å; C207-Y214 HydrophobicContact CB-CE2 4.08Å; C207-Y214 VanDerWaalsContact SG-CD2 3.54Å; P210-Y214 HydrophobicContact CB-CE2 4.48Å; P210-Y214 HydrophobicContact CG-CE2 4.13Å; Y214-L225 VanDerWaalsContact CB-CD1 3.45Å; Y214-L225 HydrophobicContact CD1-CD1 4.19Å; Y214-L225 HydrophobicContact CD1-CD2 4.36Å; Y214-L225 HydrophobicContact CD1-CG 3.8Å; Y214-L225 HydrophobicContact CE1-CG 4.47Å; Y214-L225 HydrophobicContact CG-CD1 3.88Å; Y214-L225 HydrophobicContact CG-CG 4.01Å; Y214-H226 CarbonylContact C-O 3.54Å; Y214-H226 WeakPolarHBondContact CA-O 3.43Å; Y214-H226 WeakPolarHBondContact CB-O 3.39Å; Y214-Y232 HydrophobicContact CE1-CD2 4.47Å; Y214-Y232 HydrophobicContact CE1-CE2 4.03Å
215	D	92.8	Very high	90.4	Very high	37 Å²	37	35.8 Å²	35.8	20%	0.198	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.9	165.6	-59.8	-21.8	0	0	0	108.5	I201 F202 R203 E204 H226	I201-D215 HydrophobicContact CG2-CB 4.46Å; F202-D215 CarbonylContact O-C 3.48Å; F202-D215 VanDerWaalsContact O-CA 3.26Å; F202-D215 WeakPolarHBondContact O-CA 3.3Å; R203-D215 VanDerWaalsContact CA-OD1 3.27Å; R203-D215 WeakPolarHBondContact CA-OD1 3.18Å; E204-D215 PolarHBondContact N-OD1 2.86Å; D215-H226 HydrophobicContact CB-CB 4.38Å; D215-H226 PolarHBondContact N-O 2.93Å; D215-H226 PolarHBondContact O-N 3.33Å; D215-H226 IonicContact OD2-CD2 3.86Å
216	I	93.8	Very high	90.1	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.2	169.3	-64.6	-176	0	0	0	108.1	I201 F202 L205 I218 L223 L225 L275	I201-I216 WeakPolarHBondContact CA-O 3.46Å; F202-I216 HydrophobicContact CB-CB 4.44Å; F202-I216 HydrophobicContact CD2-CB 4.46Å; F202-I216 HydrophobicContact CD2-CG2 4.45Å; F202-I216 PolarHBondContact N-O 2.85Å; F202-I216 PolarHBondContact O-N 2.8Å; L205-I216 HydrophobicContact CD1-CB 4.43Å; L205-I216 HydrophobicContact CD1-CD1 3.88Å; L205-I216 HydrophobicContact CD1-CG1 4.11Å; I216-I218 HydrophobicContact CG2-CD1 3.74Å; I216-I218 HydrophobicContact CG2-CG1 4.48Å; I216-L223 HydrophobicContact CG2-CB 4.28Å; I216-L223 HydrophobicContact CG2-CD1 4.31Å; I216-L225 HydrophobicContact CD1-CD1 4.1Å; I216-L225 HydrophobicContact CG1-CD1 3.64Å; I216-L275 HydrophobicContact CD1-CD1 3.88Å; I216-L275 HydrophobicContact CD1-CD2 4.29Å
217	R	90.9	Very high	89.6	Confident	65 Å²	65	34.1 Å²	34.1	25%	0.245	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.4	171.9	-54	-179.3	-172.9	167.8	7	108.7	A198 I201 Y219 L223 H224 H226	A198-R217 HydrophobicContact CB-CB 4.07Å; I201-R217 HydrophobicContact CD1-CG 4.21Å; I201-R217 HydrophobicContact CG1-CB 4.36Å; I201-R217 HydrophobicContact CG1-CG 4.07Å; I201-R217 HydrophobicContact CG2-CG 3.98Å; R217-Y219 HydrophobicContact CB-CD2 4.47Å; R217-Y219 HydrophobicContact CB-CE2 3.79Å; R217-L223 WeakPolarHBondContact O-CA 3.19Å; R217-H224 HydrophobicContact CB-CB 4.32Å; R217-H224 PolarHBondContact N-O 2.7Å; R217-H224 PolarHBondContact O-N 3.28Å; R217-H226 PolarHBondContact NH2-CD2 2.86Å; R217-H226 PolarHBondContact NH2-NE2 3.37Å
218	I	90.9	Very high	88.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.6	-178	-64.8	-55.5	0	0	0	109.7	A198 I199 C200 F202 I216 L223 V317 M318 L321	A198-I218 CarbonylContact C-O 3.59Å; A198-I218 WeakPolarHBondContact CA-O 3.5Å; A198-I218 WeakPolarHBondContact CB-O 3.46Å; I199-I218 HydrophobicContact CB-CG2 4.09Å; I199-I218 HydrophobicContact CD1-CG2 4.35Å; I199-I218 PolarHBondContact N-O 3.2Å; C200-I218 PolarHBondContact O-N 2.98Å; C200-I218 VanDerWaalsContact SG-CG1 3.52Å; F202-I218 HydrophobicContact CD2-CG1 4.41Å; F202-I218 HydrophobicContact CE2-CG1 4.11Å; I216-I218 HydrophobicContact CG2-CD1 3.74Å; I216-I218 HydrophobicContact CG2-CG1 4.48Å; I218-L223 HydrophobicContact CD1-CB 3.94Å; I218-V317 HydrophobicContact CG1-CG1 4.28Å; I218-M318 HydrophobicContact CD1-SD 4.46Å; I218-L321 HydrophobicContact CD1-CD1 4.06Å; I218-L321 HydrophobicContact CG1-CD1 4.39Å; I218-L321 HydrophobicContact CG2-CD1 3.46Å; I218-L321 VanDerWaalsContact CG2-CD1 3.46Å; I218-L321 HydrophobicContact CG2-CD2 4.05Å; I218-L321 HydrophobicContact CG2-CG 4.4Å
219	Y	87.8	Confident	88.2	Confident	13 Å²	13	46.3 Å²	46.3	5%	0.051	22%	0.224	C	C	.	.			trans	-117.1	168.6	173.6	-67.3	-88.4	0	0	0	111.1	A198 R217 T221 F222 H224 Y236	A198-Y219 HydrophobicContact CB-CE1 4.19Å; A198-Y219 HydrophobicContact CB-CE2 4.38Å; R217-Y219 HydrophobicContact CB-CD2 4.47Å; R217-Y219 HydrophobicContact CB-CE2 3.79Å; Y219-T221 VanDerWaalsContact C-N 3.28Å; Y219-T221 PolarHBondContact O-N 3.27Å; Y219-F222 CarbonylContact C-O 3.54Å; Y219-F222 WeakPolarHBondContact CA-O 3.3Å; Y219-F222 VanDerWaalsContact CB-O 3.28Å; Y219-F222 WeakPolarHBondContact CB-O 3.34Å; Y219-F222 HydrophobicContact CD1-CZ 4.48Å; Y219-F222 AromaticContact CD2-CD2 3.95Å; Y219-F222 HydrophobicContact CD2-CD2 3.95Å; Y219-F222 AromaticContact CD2-CE2 3.38Å; Y219-F222 HydrophobicContact CD2-CE2 3.38Å; Y219-F222 HydrophobicContact CD2-CZ 4.03Å; Y219-F222 AromaticContact CE2-CE2 3.99Å; Y219-F222 HydrophobicContact CE2-CE2 3.99Å; Y219-F222 HydrophobicContact CG-CD2 4.35Å; Y219-F222 AromaticContact CG-CE2 3.73Å; Y219-F222 HydrophobicContact CG-CE2 3.73Å; Y219-F222 AromaticContact CG-CZ 3.93Å; Y219-F222 HydrophobicContact CG-CZ 3.93Å; Y219-F222 PolarHBondContact N-O 3.03Å; Y219-H224 HydrophobicContact CD2-CB 4.19Å; Y219-H224 HydrophobicContact CE2-CB 3.86Å; Y219-Y236 WeakPolarHBondContact O-CE2 3.29Å; Y219-Y236 PolarHBondContact O-OH 2.81Å
220	P	82.4	Confident	87.6	Confident	46 Å²	46	49.6 Å²	49.6	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-60.2	-23.9	-176.3	-29.5	37.6	0	0	0	117.3	I199 R297	I199-P220 HydrophobicContact CD1-CG 4.18Å; P220-R297 PolarHBondContact O-NH1 2.99Å
221	T	78.3	Confident	87.1	Confident	67 Å²	67	53.6 Å²	53.6	41%	0.411	26%	0.259	S	S	.	.	S	Bend	trans	-127.2	-21.2	-175.2	51.2	0	0	0	0	114.4	D190 Y219 Y236	D190-T221 PolarHBondContact OD1-OG1 2.77Å; Y219-T221 VanDerWaalsContact C-N 3.28Å; Y219-T221 PolarHBondContact O-N 3.27Å; T221-Y236 VanDerWaalsContact C-CE2 3.4Å; T221-Y236 WeakPolarHBondContact O-CD2 3.07Å; T221-Y236 PolarHBondContact O-N 3.18Å
222	F	85.8	Confident	86.7	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.1	179.9	60.7	-95.6	0	0	0	111.8	D190 I192 T195 Y219 H224 I234 P235 Y236	D190-F222 HydrophobicContact CB-CD1 4.11Å; D190-F222 HydrophobicContact CB-CE1 4.04Å; I192-F222 HydrophobicContact CG1-CE2 3.99Å; I192-F222 HydrophobicContact CG1-CZ 3.84Å; T195-F222 HydrophobicContact CG2-CE1 4.14Å; T195-F222 HydrophobicContact CG2-CZ 4.43Å; Y219-F222 CarbonylContact C-O 3.54Å; Y219-F222 WeakPolarHBondContact CA-O 3.3Å; Y219-F222 VanDerWaalsContact CB-O 3.28Å; Y219-F222 WeakPolarHBondContact CB-O 3.34Å; Y219-F222 HydrophobicContact CD1-CZ 4.48Å; Y219-F222 AromaticContact CD2-CD2 3.95Å; Y219-F222 HydrophobicContact CD2-CD2 3.95Å; Y219-F222 AromaticContact CD2-CE2 3.38Å; Y219-F222 HydrophobicContact CD2-CE2 3.38Å; Y219-F222 HydrophobicContact CD2-CZ 4.03Å; Y219-F222 AromaticContact CE2-CE2 3.99Å; Y219-F222 HydrophobicContact CE2-CE2 3.99Å; Y219-F222 HydrophobicContact CG-CD2 4.35Å; Y219-F222 AromaticContact CG-CE2 3.73Å; Y219-F222 HydrophobicContact CG-CE2 3.73Å; Y219-F222 AromaticContact CG-CZ 3.93Å; Y219-F222 HydrophobicContact CG-CZ 3.93Å; Y219-F222 PolarHBondContact N-O 3.03Å; F222-H224 HydrophobicContact CD2-CB 4.49Å; F222-H224 HydrophobicContact CE2-CB 4.34Å; F222-I234 WeakPolarHBondContact CA-O 3.42Å; F222-I234 WeakPolarHBondContact CB-O 3.43Å; F222-P235 HydrophobicContact CB-CB 4.45Å; F222-Y236 VanDerWaalsContact C-CZ 3.42Å; F222-Y236 PolarHBondContact O-OH 2.81Å
223	L	89.4	Confident	86.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	147.8	160.3	68.1	88	0	0	0	110.1	I216 R217 I218 L225 I234 Y236 M318	I216-L223 HydrophobicContact CG2-CB 4.28Å; I216-L223 HydrophobicContact CG2-CD1 4.31Å; R217-L223 WeakPolarHBondContact O-CA 3.19Å; I218-L223 HydrophobicContact CD1-CB 3.94Å; L223-L225 HydrophobicContact CD1-CB 4.35Å; L223-I234 HydrophobicContact CD1-CB 3.88Å; L223-I234 HydrophobicContact CD1-CD1 4.06Å; L223-I234 HydrophobicContact CD1-CG1 4.21Å; L223-I234 HydrophobicContact CG-CB 4.04Å; L223-I234 PolarHBondContact N-O 3.03Å; L223-I234 PolarHBondContact O-N 3.13Å; L223-Y236 HydrophobicContact CB-CE1 4.03Å; L223-Y236 HydrophobicContact CD2-CE1 4.22Å; L223-Y236 HydrophobicContact CG-CE1 4.43Å; L223-M318 HydrophobicContact CD2-CE 3.62Å; L223-M318 HydrophobicContact CD2-SD 3.71Å
224	H	88.3	Confident	86	Confident	15 Å²	15	40 Å²	40	7%	0.069	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.3	175	177.7	-171.2	0	0	0	108.5	R217 Y219 F222 H226 Y232	R217-H224 HydrophobicContact CB-CB 4.32Å; R217-H224 PolarHBondContact N-O 2.7Å; R217-H224 PolarHBondContact O-N 3.28Å; Y219-H224 HydrophobicContact CD2-CB 4.19Å; Y219-H224 HydrophobicContact CE2-CB 3.86Å; F222-H224 HydrophobicContact CD2-CB 4.49Å; F222-H224 HydrophobicContact CE2-CB 4.34Å; H224-H226 PolarHBondContact O-N 2.91Å; H224-Y232 WeakPolarHBondContact CA-O 3.36Å
225	L	90.4	Very high	85.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	92.7	172.9	-177.4	70.6	0	0	0	108.1	P210 Y214 I216 L223 Y232 I234 I263 L273	P210-L225 HydrophobicContact CG-CD2 4.46Å; Y214-L225 VanDerWaalsContact CB-CD1 3.45Å; Y214-L225 HydrophobicContact CD1-CD1 4.19Å; Y214-L225 HydrophobicContact CD1-CD2 4.36Å; Y214-L225 HydrophobicContact CD1-CG 3.8Å; Y214-L225 HydrophobicContact CE1-CG 4.47Å; Y214-L225 HydrophobicContact CG-CD1 3.88Å; Y214-L225 HydrophobicContact CG-CG 4.01Å; I216-L225 HydrophobicContact CD1-CD1 4.1Å; I216-L225 HydrophobicContact CG1-CD1 3.64Å; L223-L225 HydrophobicContact CD1-CB 4.35Å; L225-Y232 HydrophobicContact CB-CD2 4.45Å; L225-Y232 HydrophobicContact CD2-CD2 3.87Å; L225-Y232 HydrophobicContact CG-CD2 4.32Å; L225-Y232 PolarHBondContact N-O 3.06Å; L225-Y232 PolarHBondContact O-N 3.23Å; L225-I234 HydrophobicContact CB-CD1 4.38Å; L225-I234 HydrophobicContact CD2-CD1 4.45Å; L225-I263 HydrophobicContact CD2-CD1 4.34Å; L225-L273 HydrophobicContact CD1-CD2 4.42Å; L225-L273 HydrophobicContact CD2-CD1 3.93Å; L225-L273 HydrophobicContact CD2-CD2 4.05Å
226	H	87.3	Confident	85.2	Confident	52 Å²	52	40.8 Å²	40.8	24%	0.241	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133	-176.2	174.9	60.5	0	0	0	111.2	Y214 D215 R217 H224 D231	Y214-H226 CarbonylContact C-O 3.54Å; Y214-H226 WeakPolarHBondContact CA-O 3.43Å; Y214-H226 WeakPolarHBondContact CB-O 3.39Å; D215-H226 HydrophobicContact CB-CB 4.38Å; D215-H226 PolarHBondContact N-O 2.93Å; D215-H226 PolarHBondContact O-N 3.33Å; D215-H226 IonicContact OD2-CD2 3.86Å; R217-H226 PolarHBondContact NH2-CD2 2.86Å; R217-H226 PolarHBondContact NH2-NE2 3.37Å; H224-H226 PolarHBondContact O-N 2.91Å; H226-D231 VanDerWaalsContact CA-OD1 3.23Å; H226-D231 WeakPolarHBondContact CA-OD1 3.44Å; H226-D231 IonicContact CE1-OD1 3.22Å; H226-D231 IonicContact CE1-OD2 2.67Å; H226-D231 IonicContact CG-OD1 3.07Å; H226-D231 IonicContact ND1-OD1 3.26Å; H226-D231 PolarHBondContact ND1-OD1 3.01Å; H226-D231 IonicContact ND1-OD2 3.35Å; H226-D231 PolarHBondContact ND1-OD2 2.91Å
227	G	84.1	Confident	84.6	Confident	7 Å²	7	45.3 Å²	45.3	7%	0.072	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.5	-175.6	0	0	0	0	0	113.6	T229 F230 D231	G227-T229 PolarHBondContact O-N 3.32Å; G227-F230 WeakPolarHBondContact CA-O 3.14Å; G227-F230 PolarHBondContact N-O 3.38Å; G227-D231 PolarHBondContact N-OD1 3.44Å
228	K	80.5	Confident	84.3	Confident	168 Å²	168	43 Å²	43	73%	0.73	23%	0.227	S	C	*	.	S	Bend	trans	-69.8	6.7	-178.7	-61.6	179	-176.9	170.7	0	114.1	E204	E204-K228 IonicContact OE1-NZ 2.65Å; E204-K228 PolarHBondContact OE1-NZ 3.18Å
229	T	77.4	Confident	84.2	Confident	112 Å²	112	43.2 Å²	43.2	69%	0.687	23%	0.229	S	C	*	.	S	Bend	trans	-161.5	-28.9	-174.2	-48	0	0	0	0	113.2	G227	G227-T229 PolarHBondContact O-N 3.32Å
230	F	78.3	Confident	84.2	Confident	85 Å²	85	45 Å²	45	37%	0.373	24%	0.239	S	C	.	.			trans	-139.7	138.2	178.9	-58.3	-81.6	0	0	0	109.7	G227 Y232 Q265	G227-F230 WeakPolarHBondContact CA-O 3.14Å; G227-F230 PolarHBondContact N-O 3.38Å; F230-Y232 HydrophobicContact CB-CE2 3.82Å; F230-Y232 WeakPolarHBondContact CB-OH 3.42Å; F230-Q265 HydrophobicContact CD1-CG 4.01Å; F230-Q265 HydrophobicContact CD2-CG 4.26Å; F230-Q265 VanDerWaalsContact CD2-NE2 3.27Å; F230-Q265 HydrophobicContact CE1-CG 3.95Å; F230-Q265 HydrophobicContact CE2-CG 4.22Å; F230-Q265 HydrophobicContact CG-CG 4.17Å; F230-Q265 HydrophobicContact CZ-CG 4.05Å
231	D	80.8	Confident	84.6	Confident	85 Å²	85	47 Å²	47	46%	0.455	24%	0.24	S	C	.	.			trans	-125.8	136.6	-177.6	-70.9	-33.1	0	0	0	109.3	H226 G227	H226-D231 VanDerWaalsContact CA-OD1 3.23Å; H226-D231 WeakPolarHBondContact CA-OD1 3.44Å; H226-D231 IonicContact CE1-OD1 3.22Å; H226-D231 IonicContact CE1-OD2 2.67Å; H226-D231 IonicContact CG-OD1 3.07Å; H226-D231 IonicContact ND1-OD1 3.26Å; H226-D231 PolarHBondContact ND1-OD1 3.01Å; H226-D231 IonicContact ND1-OD2 3.35Å; H226-D231 PolarHBondContact ND1-OD2 2.91Å; G227-D231 PolarHBondContact N-OD1 3.44Å
232	Y	83.8	Confident	85.4	Confident	21 Å²	21	43.8 Å²	43.8	8%	0.082	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	120	-177.4	-48.9	-82.5	0	0	0	111.6	P210 Y214 H224 L225 F230 I263 K264 Q265	P210-Y232 HydrophobicContact CG-CE2 4.41Å; Y214-Y232 HydrophobicContact CE1-CD2 4.47Å; Y214-Y232 HydrophobicContact CE1-CE2 4.03Å; H224-Y232 WeakPolarHBondContact CA-O 3.36Å; L225-Y232 HydrophobicContact CB-CD2 4.45Å; L225-Y232 HydrophobicContact CD2-CD2 3.87Å; L225-Y232 HydrophobicContact CG-CD2 4.32Å; L225-Y232 PolarHBondContact N-O 3.06Å; L225-Y232 PolarHBondContact O-N 3.23Å; F230-Y232 HydrophobicContact CB-CE2 3.82Å; F230-Y232 WeakPolarHBondContact CB-OH 3.42Å; Y232-I263 HydrophobicContact CD1-CB 4.18Å; Y232-I263 HydrophobicContact CD1-CD1 4.43Å; Y232-I263 HydrophobicContact CD2-CD1 4.28Å; Y232-I263 HydrophobicContact CG-CD1 4.2Å; Y232-K264 WeakPolarHBondContact CE1-O 3.18Å; Y232-Q265 WeakPolarHBondContact OH-CB 3.42Å; Y232-Q265 WeakPolarHBondContact OH-CG 3.42Å
233	K	83.4	Confident	85.9	Confident	47 Å²	47	43.8 Å²	43.8	20%	0.204	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.3	160	-57.5	-171.7	-158.3	164.7	0	108.4	S137 H151 D190 I192	S137-K233 PolarHBondContact O-NZ 2.79Å; S137-K233 VanDerWaalsContact O-NZ 3.07Å; H151-K233 PolarHBondContact CE1-NZ 2.77Å; H151-K233 PolarHBondContact NE2-NZ 3.4Å; D190-K233 PolarHBondContact O-NZ 3.39Å; I192-K233 HydrophobicContact CD1-CD 4.27Å; I192-K233 HydrophobicContact CD1-CG 4.06Å; I192-K233 HydrophobicContact CG1-CD 4.44Å
234	I	86.4	Confident	86.2	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	96.8	-179.9	-54.8	-175.9	0	0	0	108.2	F222 L223 L225 T238 L259 I263 L273	F222-I234 WeakPolarHBondContact CA-O 3.42Å; F222-I234 WeakPolarHBondContact CB-O 3.43Å; L223-I234 HydrophobicContact CD1-CB 3.88Å; L223-I234 HydrophobicContact CD1-CD1 4.06Å; L223-I234 HydrophobicContact CD1-CG1 4.21Å; L223-I234 HydrophobicContact CG-CB 4.04Å; L223-I234 PolarHBondContact N-O 3.03Å; L223-I234 PolarHBondContact O-N 3.13Å; L225-I234 HydrophobicContact CB-CD1 4.38Å; L225-I234 HydrophobicContact CD2-CD1 4.45Å; I234-T238 WeakPolarHBondContact CG2-OG1 3.32Å; I234-L259 HydrophobicContact CD1-CD1 4.2Å; I234-L259 HydrophobicContact CG2-CD2 3.69Å; I234-I263 HydrophobicContact CD1-CD1 4.14Å; I234-I263 HydrophobicContact CD1-CG2 3.78Å; I234-I263 HydrophobicContact CG1-CG2 3.81Å; I234-L273 HydrophobicContact CD1-CD2 4.4Å
235	P	83.5	Confident	86.5	Confident	44 Å²	44	44 Å²	44	29%	0.286	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.3	176	-22	33.5	0	0	0	111.9	F222 T237 T238	F222-P235 HydrophobicContact CB-CB 4.45Å; P235-T237 PolarHBondContact O-N 2.94Å; P235-T237 VanDerWaalsContact O-N 3.14Å; P235-T238 HydrophobicContact CB-CG2 4.24Å; P235-T238 HydrophobicContact CG-CG2 4.34Å; P235-T238 WeakPolarHBondContact O-CB 3.41Å; P235-T238 PolarHBondContact O-N 3.31Å; P235-T238 PolarHBondContact O-OG1 3.05Å
236	Y	85.6	Confident	86.7	Confident	22 Å²	22	44.7 Å²	44.7	9%	0.086	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.7	-24.6	-178.1	-57.4	-52.3	0	0	0	112.8	Y219 T221 F222 L223 T238 V239 L321 V322	Y219-Y236 WeakPolarHBondContact O-CE2 3.29Å; Y219-Y236 PolarHBondContact O-OH 2.81Å; T221-Y236 VanDerWaalsContact C-CE2 3.4Å; T221-Y236 WeakPolarHBondContact O-CD2 3.07Å; T221-Y236 PolarHBondContact O-N 3.18Å; F222-Y236 VanDerWaalsContact C-CZ 3.42Å; F222-Y236 PolarHBondContact O-OH 2.81Å; L223-Y236 HydrophobicContact CB-CE1 4.03Å; L223-Y236 HydrophobicContact CD2-CE1 4.22Å; L223-Y236 HydrophobicContact CG-CE1 4.43Å; Y236-T238 PolarHBondContact O-N 3.29Å; Y236-V239 PolarHBondContact O-N 3.14Å; Y236-L321 HydrophobicContact CD1-CB 4.41Å; Y236-L321 HydrophobicContact CD2-CB 4.45Å; Y236-L321 HydrophobicContact CE1-CB 4.07Å; Y236-L321 HydrophobicContact CE1-CD1 4.27Å; Y236-L321 HydrophobicContact CE2-CB 4.14Å; Y236-L321 HydrophobicContact CE2-CD2 4Å; Y236-V322 HydrophobicContact CD1-CG2 3.81Å; Y236-V322 HydrophobicContact CG-CG2 4.31Å
237	T	80.9	Confident	87	Confident	98 Å²	98	44 Å²	44	60%	0.601	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-64.4	-13.2	172.5	54.3	0	0	0	0	114.6	K39 P235	K39-T237 PolarHBondContact NZ-O 2.92Å; P235-T237 PolarHBondContact O-N 2.94Å; P235-T237 VanDerWaalsContact O-N 3.14Å
238	T	84.9	Confident	87.3	Confident	17 Å²	17	48.5 Å²	48.5	10%	0.104	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-89.1	-14.3	172.9	70.2	0	0	0	0	113.1	I234 P235 Y236 L240 L259 D260	I234-T238 WeakPolarHBondContact CG2-OG1 3.32Å; P235-T238 HydrophobicContact CB-CG2 4.24Å; P235-T238 HydrophobicContact CG-CG2 4.34Å; P235-T238 WeakPolarHBondContact O-CB 3.41Å; P235-T238 PolarHBondContact O-N 3.31Å; P235-T238 PolarHBondContact O-OG1 3.05Å; Y236-T238 PolarHBondContact O-N 3.29Å; T238-L240 PolarHBondContact O-N 3.2Å; T238-L259 WeakPolarHBondContact O-CA 3.49Å; T238-D260 WeakPolarHBondContact CA-O 3.46Å; T238-D260 PolarHBondContact O-N 2.92Å
239	V	89.9	Confident	87.8	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	105.7	-176.6	-178.1	0	0	0	0	110.3	Y236 L242 I257 S258 L259 V322	Y236-V239 PolarHBondContact O-N 3.14Å; V239-L242 HydrophobicContact CG1-CD2 3.75Å; V239-L242 HydrophobicContact CG1-CG 4.27Å; V239-I257 HydrophobicContact CB-CG2 4.43Å; V239-I257 HydrophobicContact CG1-CG2 3.71Å; V239-I257 HydrophobicContact CG2-CG2 3.93Å; V239-S258 WeakPolarHBondContact CA-O 3.41Å; V239-L259 HydrophobicContact CG2-CD2 4.01Å; V239-V322 HydrophobicContact CB-CG1 3.74Å; V239-V322 HydrophobicContact CB-CG2 4.4Å; V239-V322 HydrophobicContact CG1-CG1 3.78Å; V239-V322 HydrophobicContact CG1-CG2 4.42Å; V239-V322 HydrophobicContact CG2-CG2 4.45Å
240	L	87.8	Confident	88.3	Confident	50 Å²	50	42.1 Å²	42.1	26%	0.262	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-43.2	179.3	-65	-172.6	0	0	0	112.8	K39 T238 S258 D260	K39-L240 HydrophobicContact CB-CD2 4.44Å; K39-L240 HydrophobicContact CD-CD2 4.07Å; K39-L240 HydrophobicContact CG-CD2 4.04Å; T238-L240 PolarHBondContact O-N 3.2Å; L240-S258 PolarHBondContact N-O 3.21Å; L240-D260 HydrophobicContact CD1-CB 3.48Å; L240-D260 VanDerWaalsContact CD1-CB 3.48Å; L240-D260 HydrophobicContact CD2-CB 4.01Å; L240-D260 HydrophobicContact CG-CB 3.63Å
241	R	90.8	Very high	89	Confident	87 Å²	87	46 Å²	46	33%	0.328	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.8	-178.4	-76.7	-170.7	176.8	83	0.2	111.5	F243 S258	R241-F243 HydrophobicContact CB-CD2 4.29Å; R241-F243 HydrophobicContact CB-CE2 3.54Å; R241-F243 HydrophobicContact CB-CZ 3.73Å; R241-F243 VanDerWaalsContact CD-CZ 3.5Å; R241-F243 HydrophobicContact CG-CZ 4.27Å; R241-S258 PolarHBondContact O-N 2.96Å
242	L	94.8	Very high	89.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.2	165.7	-59.1	175.1	0	0	0	108.1	V239 F255 V256 I257 M318 V322 I326 T327	V239-L242 HydrophobicContact CG1-CD2 3.75Å; V239-L242 HydrophobicContact CG1-CG 4.27Å; L242-F255 HydrophobicContact CB-CE2 4.5Å; L242-F255 HydrophobicContact CB-CZ 4.25Å; L242-F255 HydrophobicContact CD1-CZ 4.36Å; L242-F255 HydrophobicContact CD2-CE1 4.17Å; L242-F255 HydrophobicContact CD2-CZ 3.91Å; L242-F255 HydrophobicContact CG-CZ 4.4Å; L242-V256 CarbonylContact C-O 3.48Å; L242-I257 HydrophobicContact CD2-CB 4.38Å; L242-I257 HydrophobicContact CD2-CG1 3.88Å; L242-I257 HydrophobicContact CD2-CG2 4.14Å; L242-M318 HydrophobicContact CD1-CB 3.88Å; L242-M318 HydrophobicContact CD2-CB 4.45Å; L242-M318 HydrophobicContact CD2-CE 3.9Å; L242-V322 HydrophobicContact CD1-CB 4.43Å; L242-I326 HydrophobicContact CB-CG1 4.46Å; L242-T327 PolarHBondContact O-N 3.3Å; L242-T327 PolarHBondContact O-OG1 2.96Å
243	F	95.4	Very high	90.2	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.6	173.1	-49.9	-102.3	0	0	0	110	R241 L245 F255 V256 T327 L355 I360 H368	R241-F243 HydrophobicContact CB-CD2 4.29Å; R241-F243 HydrophobicContact CB-CE2 3.54Å; R241-F243 HydrophobicContact CB-CZ 3.73Å; R241-F243 VanDerWaalsContact CD-CZ 3.5Å; R241-F243 HydrophobicContact CG-CZ 4.27Å; F243-L245 HydrophobicContact CB-CD1 4.47Å; F243-L245 HydrophobicContact CB-CD2 4.28Å; F243-L245 HydrophobicContact CB-CG 4.2Å; F243-F255 WeakPolarHBondContact O-CA 3.46Å; F243-F255 WeakPolarHBondContact O-CD2 3.31Å; F243-V256 HydrophobicContact CB-CB 4.15Å; F243-V256 HydrophobicContact CD2-CB 4.08Å; F243-V256 HydrophobicContact CD2-CG1 4.35Å; F243-V256 PolarHBondContact N-O 3.35Å; F243-V256 PolarHBondContact O-N 3.43Å; F243-T327 VanDerWaalsContact CA-O 3.22Å; F243-T327 WeakPolarHBondContact CA-O 3.46Å; F243-T327 HydrophobicContact CD1-CG2 3.89Å; F243-T327 HydrophobicContact CE1-CG2 4.1Å; F243-L355 HydrophobicContact CD1-CD1 3.7Å; F243-L355 HydrophobicContact CE1-CD1 3.6Å; F243-I360 HydrophobicContact CD1-CD1 3.99Å; F243-I360 HydrophobicContact CD2-CD1 3.86Å; F243-I360 HydrophobicContact CE1-CD1 4.1Å; F243-I360 HydrophobicContact CE2-CD1 3.96Å; F243-I360 HydrophobicContact CG-CD1 3.89Å; F243-I360 HydrophobicContact CZ-CD1 4.08Å; F243-H368 AromaticContact CE1-CD2 3.48Å; F243-H368 VanDerWaalsContact CE1-CD2 3.48Å; F243-H368 WeakPolarHBondContact CE1-CD2 3.38Å; F243-H368 AromaticContact CE1-NE2 3.7Å; F243-H368 AromaticContact CZ-CD2 3.3Å; F243-H368 WeakPolarHBondContact CZ-CD2 3.33Å; F243-H368 AromaticContact CZ-CG 3.93Å; F243-H368 AromaticContact CZ-NE2 3.54Å
244	L	96	Very high	90.8	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.6	171.8	178.1	64.5	0	0	0	108	M253 F255 Y311 I326 T327 V328	L244-M253 HydrophobicContact CD1-CB 4.34Å; L244-M253 HydrophobicContact CD1-CE 3.68Å; L244-M253 HydrophobicContact CD2-CE 4.31Å; L244-M253 HydrophobicContact CG-CE 3.73Å; L244-F255 HydrophobicContact CB-CD2 4.27Å; L244-F255 HydrophobicContact CD1-CD2 4.15Å; L244-Y311 HydrophobicContact CD1-CD2 3.84Å; L244-Y311 HydrophobicContact CD2-CD2 4.12Å; L244-Y311 HydrophobicContact CD2-CE2 4.36Å; L244-I326 HydrophobicContact CB-CG2 3.59Å; L244-T327 PolarHBondContact N-O 3.27Å; L244-V328 HydrophobicContact CB-CG1 4.47Å
245	L	94.8	Very high	91.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121	-167.5	-50.4	172.2	0	0	0	109.9	F243 F254 V256 P329 Y353 L355 I360 V362	F243-L245 HydrophobicContact CB-CD1 4.47Å; F243-L245 HydrophobicContact CB-CD2 4.28Å; F243-L245 HydrophobicContact CB-CG 4.2Å; L245-F254 HydrophobicContact CB-CB 4.29Å; L245-F254 PolarHBondContact N-O 2.8Å; L245-F254 PolarHBondContact O-N 2.94Å; L245-V256 HydrophobicContact CD1-CG2 4.23Å; L245-P329 HydrophobicContact CD2-CG 4.13Å; L245-Y353 HydrophobicContact CB-CD1 4.07Å; L245-Y353 HydrophobicContact CB-CE1 3.74Å; L245-Y353 HydrophobicContact CB-CE2 4.37Å; L245-Y353 HydrophobicContact CD1-CD2 4.01Å; L245-Y353 HydrophobicContact CD1-CE2 4.23Å; L245-Y353 HydrophobicContact CD1-CG 4.22Å; L245-Y353 HydrophobicContact CD2-CD1 4.14Å; L245-Y353 HydrophobicContact CD2-CG 4.26Å; L245-Y353 HydrophobicContact CG-CD1 4.48Å; L245-L355 HydrophobicContact CD2-CD2 3.94Å; L245-I360 HydrophobicContact CD1-CD1 4.43Å; L245-I360 HydrophobicContact CD1-CG2 3.65Å; L245-I360 HydrophobicContact CD2-CG2 4.18Å; L245-V362 HydrophobicContact CD1-CG1 4.34Å
246	P	94.4	Very high	91.9	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.2	176.6	30.3	-30.6	0	0	0	110.8	M253 P329 Y353	P246-M253 VanDerWaalsContact CA-SD 3.57Å; P246-M253 HydrophobicContact CB-CE 4.07Å; P246-M253 HydrophobicContact CB-SD 3.73Å; P246-P329 HydrophobicContact CG-CG 4.43Å; P246-Y353 WeakPolarHBondContact O-CE1 3.36Å; P246-Y353 PolarHBondContact O-OH 2.83Å; P246-Y353 VanDerWaalsContact O-OH 3.05Å
247	H	94.3	Very high	92.4	Very high	39 Å²	39	39.4 Å²	39.4	18%	0.181	19%	0.185	C	C	.	.			trans	-67.9	150.2	176.7	-179.8	-96.2	0	0	0	111	D249 Q250 Q252 F254 L351	H247-D249 IonicContact CE1-OD1 2.73Å; H247-D249 IonicContact CE1-OD2 2.69Å; H247-D249 IonicContact CG-OD1 2.69Å; H247-D249 PolarHBondContact ND1-N 2.95Å; H247-D249 IonicContact ND1-OD1 3.4Å; H247-D249 PolarHBondContact ND1-OD1 2.75Å; H247-D249 IonicContact ND1-OD2 3.15Å; H247-D249 PolarHBondContact ND1-OD2 2.66Å; H247-D249 PolarHBondContact O-N 2.84Å; H247-D249 VanDerWaalsContact O-N 3.09Å; H247-Q250 WeakPolarHBondContact O-CA 3.28Å; H247-Q250 PolarHBondContact O-N 2.68Å; H247-Q252 HydrophobicContact CB-CB 3.78Å; H247-Q252 VanDerWaalsContact CB-O 3.31Å; H247-Q252 WeakPolarHBondContact CB-O 3.44Å; H247-Q252 PolarHBondContact N-O 3.42Å; H247-F254 HydrophobicContact CB-CD2 4.34Å; H247-F254 HydrophobicContact CB-CE2 3.9Å; H247-F254 AromaticContact CD2-CE2 3.54Å; H247-F254 AromaticContact CD2-CZ 3.65Å; H247-L351 VanDerWaalsContact CD2-CD1 3.48Å; H247-L351 WeakPolarHBondContact CD2-CD1 3.45Å
248	K	90.6	Very high	93	Very high	101 Å²	101	35.4 Å²	35.4	44%	0.439	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.9	-172.4	71.7	166.9	-179	174.2	0	115.3	Q250 A338 T342 L351	K248-Q250 PolarHBondContact O-N 2.74Å; K248-A338 HydrophobicContact CB-CB 4.42Å; K248-T342 PolarHBondContact NZ-OG1 3.19Å; K248-L351 HydrophobicContact CB-CD2 4.44Å; K248-L351 HydrophobicContact CD-CD2 3.79Å; K248-L351 HydrophobicContact CG-CD1 4.35Å; K248-L351 HydrophobicContact CG-CD2 4.03Å
249	D	90.2	Very high	93.2	Very high	58 Å²	58	34.8 Å²	34.8	31%	0.31	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.2	173.7	75.6	-10.3	0	0	0	113.9	H247 R251 Q252	H247-D249 IonicContact CE1-OD1 2.73Å; H247-D249 IonicContact CE1-OD2 2.69Å; H247-D249 IonicContact CG-OD1 2.69Å; H247-D249 PolarHBondContact ND1-N 2.95Å; H247-D249 IonicContact ND1-OD1 3.4Å; H247-D249 PolarHBondContact ND1-OD1 2.75Å; H247-D249 IonicContact ND1-OD2 3.15Å; H247-D249 PolarHBondContact ND1-OD2 2.66Å; H247-D249 PolarHBondContact O-N 2.84Å; H247-D249 VanDerWaalsContact O-N 3.09Å; D249-R251 PolarHBondContact O-N 2.83Å; D249-R251 PolarHBondContact OD1-N 2.98Å; D249-Q252 PolarHBondContact OD1-N 3.07Å; D249-Q252 PolarHBondContact OD2-NE2 2.76Å
250	Q	88.1	Confident	92.8	Very high	88 Å²	88	35.4 Å²	35.4	41%	0.411	16%	0.16	S	C	.	.	S	Bend	trans	54.5	14.4	-173.8	-64.6	-64.4	-10.1	0	0	115.9	H247 K248 K279	H247-Q250 WeakPolarHBondContact O-CA 3.28Å; H247-Q250 PolarHBondContact O-N 2.68Å; K248-Q250 PolarHBondContact O-N 2.74Å; Q250-K279 VanDerWaalsContact O-CD 3.27Å; Q250-K279 WeakPolarHBondContact O-CD 3.46Å; Q250-K279 WeakPolarHBondContact O-CE 3.32Å; Q250-K279 PolarHBondContact O-NZ 2.97Å
251	R	92.4	Very high	92.5	Very high	165 Å²	165	36 Å²	36	62%	0.623	17%	0.167	S	C	*	.	S	Bend	trans	-104.1	-23.1	175.9	-65.2	166.3	178.3	-96.5	-0.1	112.7	D249 K279	D249-R251 PolarHBondContact O-N 2.83Å; D249-R251 PolarHBondContact OD1-N 2.98Å; R251-K279 WeakPolarHBondContact O-CB 3.49Å; R251-K279 PolarHBondContact O-N 3.38Å
252	Q	94.7	Very high	92.2	Very high	60 Å²	60	32.4 Å²	32.4	28%	0.28	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	155.1	-174.6	-62.1	168.4	55.8	0	0	112.2	H247 D249 L276 F277	H247-Q252 HydrophobicContact CB-CB 3.78Å; H247-Q252 VanDerWaalsContact CB-O 3.31Å; H247-Q252 WeakPolarHBondContact CB-O 3.44Å; H247-Q252 PolarHBondContact N-O 3.42Å; D249-Q252 PolarHBondContact OD1-N 3.07Å; D249-Q252 PolarHBondContact OD2-NE2 2.76Å; Q252-L276 HydrophobicContact CB-CD1 4.05Å; Q252-F277 CarbonylContact C-O 3.46Å; Q252-F277 VanDerWaalsContact CA-O 3.29Å; Q252-F277 WeakPolarHBondContact CA-O 3.5Å
253	M	95.3	Very high	91.7	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.6	174.1	-61.7	-62.9	-64.3	0	0	109.7	L244 P246 F277 K279 Y311	L244-M253 HydrophobicContact CD1-CB 4.34Å; L244-M253 HydrophobicContact CD1-CE 3.68Å; L244-M253 HydrophobicContact CD2-CE 4.31Å; L244-M253 HydrophobicContact CG-CE 3.73Å; P246-M253 VanDerWaalsContact CA-SD 3.57Å; P246-M253 HydrophobicContact CB-CE 4.07Å; P246-M253 HydrophobicContact CB-SD 3.73Å; M253-F277 PolarHBondContact N-O 2.94Å; M253-F277 PolarHBondContact O-N 3.36Å; M253-K279 HydrophobicContact CG-CG 3.76Å; M253-K279 HydrophobicContact SD-CD 4.36Å; M253-K279 WeakPolarHBondContact SD-CE 3.22Å; M253-K279 HydrophobicContact SD-CG 4.2Å; M253-Y311 HydrophobicContact CB-CD1 4.31Å; M253-Y311 HydrophobicContact CB-CD2 4.24Å; M253-Y311 HydrophobicContact CB-CG 3.93Å; M253-Y311 HydrophobicContact CE-CD2 4.19Å; M253-Y311 HydrophobicContact CE-CE2 4.08Å; M253-Y311 HydrophobicContact CG-CD1 3.74Å; M253-Y311 HydrophobicContact CG-CD2 3.85Å; M253-Y311 HydrophobicContact CG-CE1 3.95Å; M253-Y311 HydrophobicContact CG-CE2 4.04Å; M253-Y311 HydrophobicContact CG-CG 3.7Å
254	F	96.4	Very high	90.9	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.044	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.9	163.8	-57.6	-87.9	0	0	0	109.8	L208 L245 H247 V256 I274 L275 L276 L351 Y353 V362	L208-F254 HydrophobicContact CD1-CD1 4.04Å; L208-F254 HydrophobicContact CD1-CE1 3.65Å; L245-F254 HydrophobicContact CB-CB 4.29Å; L245-F254 PolarHBondContact N-O 2.8Å; L245-F254 PolarHBondContact O-N 2.94Å; H247-F254 HydrophobicContact CB-CD2 4.34Å; H247-F254 HydrophobicContact CB-CE2 3.9Å; H247-F254 AromaticContact CD2-CE2 3.54Å; H247-F254 AromaticContact CD2-CZ 3.65Å; F254-V256 HydrophobicContact CB-CG2 4.41Å; F254-I274 HydrophobicContact CD1-CG2 4.02Å; F254-L275 WeakPolarHBondContact CA-O 3.49Å; F254-L276 HydrophobicContact CD1-CD1 3.83Å; F254-L276 HydrophobicContact CE1-CD1 3.87Å; F254-L276 HydrophobicContact CG-CD1 4.33Å; F254-L276 HydrophobicContact CZ-CD1 4.39Å; F254-L351 HydrophobicContact CE2-CD1 4.01Å; F254-L351 HydrophobicContact CZ-CD1 4.37Å; F254-Y353 WeakPolarHBondContact CE2-OH 3.43Å; F254-V362 HydrophobicContact CD1-CG2 4.37Å; F254-V362 HydrophobicContact CD2-CG2 4.14Å; F254-V362 HydrophobicContact CE1-CG2 4.08Å; F254-V362 HydrophobicContact CE2-CG2 3.84Å; F254-V362 HydrophobicContact CG-CG2 4.38Å; F254-V362 HydrophobicContact CZ-CG2 3.8Å
255	F	96.8	Very high	90.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.5	162.4	-170.3	-106.7	0	0	0	108.4	L242 F243 L244 I257 L275 F277 V314 M318	L242-F255 HydrophobicContact CB-CE2 4.5Å; L242-F255 HydrophobicContact CB-CZ 4.25Å; L242-F255 HydrophobicContact CD1-CZ 4.36Å; L242-F255 HydrophobicContact CD2-CE1 4.17Å; L242-F255 HydrophobicContact CD2-CZ 3.91Å; L242-F255 HydrophobicContact CG-CZ 4.4Å; F243-F255 WeakPolarHBondContact O-CA 3.46Å; F243-F255 WeakPolarHBondContact O-CD2 3.31Å; L244-F255 HydrophobicContact CB-CD2 4.27Å; L244-F255 HydrophobicContact CD1-CD2 4.15Å; F255-I257 HydrophobicContact CD1-CD1 4.06Å; F255-I257 HydrophobicContact CD1-CG1 3.87Å; F255-I257 HydrophobicContact CE1-CD1 3.84Å; F255-I257 HydrophobicContact CE1-CG1 3.61Å; F255-L275 HydrophobicContact CB-CB 4.29Å; F255-L275 HydrophobicContact CD1-CD1 4.09Å; F255-L275 PolarHBondContact N-O 2.79Å; F255-L275 PolarHBondContact O-N 2.81Å; F255-F277 HydrophobicContact CB-CD2 4.27Å; F255-F277 HydrophobicContact CB-CE2 3.67Å; F255-F277 HydrophobicContact CG-CE2 4.49Å; F255-V314 HydrophobicContact CD1-CG1 4.06Å; F255-V314 HydrophobicContact CE1-CG1 4.03Å; F255-M318 HydrophobicContact CE1-CB 4.25Å; F255-M318 HydrophobicContact CE1-CG 3.98Å; F255-M318 HydrophobicContact CZ-CB 3.88Å; F255-M318 HydrophobicContact CZ-CG 4.12Å
256	V	96.1	Very high	89.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.6	-176.7	-170.6	0	0	0	0	109.4	L242 F243 L245 F254 F272 L273 I274 I360 V362	L242-V256 CarbonylContact C-O 3.48Å; F243-V256 HydrophobicContact CB-CB 4.15Å; F243-V256 HydrophobicContact CD2-CB 4.08Å; F243-V256 HydrophobicContact CD2-CG1 4.35Å; F243-V256 PolarHBondContact N-O 3.35Å; F243-V256 PolarHBondContact O-N 3.43Å; L245-V256 HydrophobicContact CD1-CG2 4.23Å; F254-V256 HydrophobicContact CB-CG2 4.41Å; V256-F272 HydrophobicContact CG1-CB 4.1Å; V256-F272 HydrophobicContact CG1-CD1 3.93Å; V256-F272 HydrophobicContact CG1-CG 4.43Å; V256-L273 WeakPolarHBondContact CA-O 3.28Å; V256-I274 HydrophobicContact CG1-CG1 4.24Å; V256-I274 HydrophobicContact CG2-CG1 4.44Å; V256-I274 HydrophobicContact CG2-CG2 4.34Å; V256-I360 HydrophobicContact CB-CD1 4.39Å; V256-I360 HydrophobicContact CG1-CD1 4.2Å; V256-V362 HydrophobicContact CG2-CG1 4.07Å
257	I	95.3	Very high	88.3	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.8	178	-57.2	162.7	0	0	0	106.5	V239 L242 F255 L259 F272 L273 M318	V239-I257 HydrophobicContact CB-CG2 4.43Å; V239-I257 HydrophobicContact CG1-CG2 3.71Å; V239-I257 HydrophobicContact CG2-CG2 3.93Å; L242-I257 HydrophobicContact CD2-CB 4.38Å; L242-I257 HydrophobicContact CD2-CG1 3.88Å; L242-I257 HydrophobicContact CD2-CG2 4.14Å; F255-I257 HydrophobicContact CD1-CD1 4.06Å; F255-I257 HydrophobicContact CD1-CG1 3.87Å; F255-I257 HydrophobicContact CE1-CD1 3.84Å; F255-I257 HydrophobicContact CE1-CG1 3.61Å; I257-L259 HydrophobicContact CG2-CD2 3.71Å; I257-L259 HydrophobicContact CG2-CG 4.33Å; I257-F272 CarbonylContact O-C 3.51Å; I257-F272 VanDerWaalsContact O-CA 3.29Å; I257-F272 WeakPolarHBondContact O-CA 3.17Å; I257-L273 HydrophobicContact CB-CB 4.25Å; I257-L273 HydrophobicContact CD1-CD2 3.83Å; I257-L273 HydrophobicContact CD1-CG 4.22Å; I257-L273 PolarHBondContact N-O 2.64Å; I257-L273 PolarHBondContact O-N 3.43Å; I257-M318 HydrophobicContact CD1-CE 4.02Å; I257-M318 HydrophobicContact CG1-CE 4.43Å
258	S	93.9	Very high	87.8	Confident	13 Å²	13	49.7 Å²	49.7	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.4	176.2	-179.1	0	0	0	0	110.1	V239 L240 R241 F272	V239-S258 WeakPolarHBondContact CA-O 3.41Å; L240-S258 PolarHBondContact N-O 3.21Å; R241-S258 PolarHBondContact O-N 2.96Å; S258-F272 WeakPolarHBondContact OG-CE1 3.02Å
259	L	89.5	Confident	87.5	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.4	-168	-60.8	176.1	0	0	0	111.6	I234 T238 V239 I257 I263 H271 L273	I234-L259 HydrophobicContact CD1-CD1 4.2Å; I234-L259 HydrophobicContact CG2-CD2 3.69Å; T238-L259 WeakPolarHBondContact O-CA 3.49Å; V239-L259 HydrophobicContact CG2-CD2 4.01Å; I257-L259 HydrophobicContact CG2-CD2 3.71Å; I257-L259 HydrophobicContact CG2-CG 4.33Å; L259-I263 HydrophobicContact CD1-CD1 4.37Å; L259-I263 HydrophobicContact CD1-CG1 4.22Å; L259-I263 HydrophobicContact CD1-CG2 4.18Å; L259-H271 PolarHBondContact N-O 2.72Å; L259-L273 HydrophobicContact CD1-CB 4.09Å
260	D	82.2	Confident	87.5	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.102	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	108.3	173.5	-177.4	27.8	0	0	0	111.3	T37 K39 T238 L240	T37-D260 WeakPolarHBondContact CB-OD2 3.17Å; T37-D260 WeakPolarHBondContact CG2-OD1 3.38Å; T37-D260 PolarHBondContact OG1-OD2 2.89Å; K39-D260 PolarHBondContact NZ-O 3.17Å; T238-D260 WeakPolarHBondContact CA-O 3.46Å; T238-D260 PolarHBondContact O-N 2.92Å; L240-D260 HydrophobicContact CD1-CB 3.48Å; L240-D260 VanDerWaalsContact CD1-CB 3.48Å; L240-D260 HydrophobicContact CD2-CB 4.01Å; L240-D260 HydrophobicContact CG-CB 3.63Å
261	P	80.4	Confident	87.7	Confident	62 Å²	62	49 Å²	49	40%	0.403	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-70.6	159	3.7	28.4	-36.7	0	0	0	114.2
262	P	84.4	Confident	87.8	Confident	11 Å²	11	42.5 Å²	42.5	7%	0.071	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	147.9	175.8	30.5	-37.7	0	0	0	112.5	K264 R269 Y270 H271	P262-K264 WeakPolarHBondContact O-CG 3.02Å; P262-R269 HydrophobicContact CB-CB 4.33Å; P262-R269 HydrophobicContact CG-CB 4.32Å; P262-Y270 WeakPolarHBondContact CA-O 3.08Å; P262-Y270 WeakPolarHBondContact CB-O 3.46Å; P262-H271 HydrophobicContact CB-CB 4.45Å
263	I	85.1	Confident	87.8	Confident	18 Å²	18	39.7 Å²	39.7	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	149.6	167.6	61.7	175.4	0	0	0	110.8	P210 L225 Y232 I234 L259 Y270	P210-I263 HydrophobicContact CG-CD1 4.43Å; L225-I263 HydrophobicContact CD2-CD1 4.34Å; Y232-I263 HydrophobicContact CD1-CB 4.18Å; Y232-I263 HydrophobicContact CD1-CD1 4.43Å; Y232-I263 HydrophobicContact CD2-CD1 4.28Å; Y232-I263 HydrophobicContact CG-CD1 4.2Å; I234-I263 HydrophobicContact CD1-CD1 4.14Å; I234-I263 HydrophobicContact CD1-CG2 3.78Å; I234-I263 HydrophobicContact CG1-CG2 3.81Å; L259-I263 HydrophobicContact CD1-CD1 4.37Å; L259-I263 HydrophobicContact CD1-CG1 4.22Å; L259-I263 HydrophobicContact CD1-CG2 4.18Å; I263-Y270 HydrophobicContact CG1-CD2 4.25Å; I263-Y270 PolarHBondContact N-O 3.29Å; I263-Y270 PolarHBondContact O-N 2.73Å
264	K	78.3	Confident	87.8	Confident	40 Å²	40	39 Å²	39	17%	0.174	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.7	-166.2	-50.4	-175.8	-173.7	171.3	0	111.2	N153 D154 D155 Y232 P262 T268 R269	N153-K264 PolarHBondContact OD1-NZ 3.04Å; D154-K264 HydrophobicContact CB-CD 3.85Å; D154-K264 WeakPolarHBondContact OD2-CD 3.1Å; D155-K264 VanDerWaalsContact CG-NZ 3.32Å; D155-K264 VanDerWaalsContact N-NZ 3.19Å; D155-K264 IonicContact OD1-NZ 2.71Å; D155-K264 VanDerWaalsContact OD2-CE 3.31Å; D155-K264 WeakPolarHBondContact OD2-CE 3.36Å; D155-K264 IonicContact OD2-NZ 2.85Å; D155-K264 PolarHBondContact OD2-NZ 2.78Å; Y232-K264 WeakPolarHBondContact CE1-O 3.18Å; P262-K264 WeakPolarHBondContact O-CG 3.02Å; K264-T268 CarbonylContact C-O 3.25Å; K264-T268 WeakPolarHBondContact CA-O 3.32Å; K264-R269 HydrophobicContact CG-CG 4.21Å
265	Q	78.9	Confident	87.8	Confident	44 Å²	44	38.6 Å²	38.6	21%	0.206	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	90.2	179.9	-170.9	-177.9	-9.9	0	0	108.4	F230 Y232 Q267 T268 Y270	F230-Q265 HydrophobicContact CD1-CG 4.01Å; F230-Q265 HydrophobicContact CD2-CG 4.26Å; F230-Q265 VanDerWaalsContact CD2-NE2 3.27Å; F230-Q265 HydrophobicContact CE1-CG 3.95Å; F230-Q265 HydrophobicContact CE2-CG 4.22Å; F230-Q265 HydrophobicContact CG-CG 4.17Å; F230-Q265 HydrophobicContact CZ-CG 4.05Å; Y232-Q265 WeakPolarHBondContact OH-CB 3.42Å; Y232-Q265 WeakPolarHBondContact OH-CG 3.42Å; Q265-Q267 PolarHBondContact O-N 3.28Å; Q265-T268 PolarHBondContact N-O 3.46Å; Q265-T268 PolarHBondContact O-N 3Å; Q265-T268 VanDerWaalsContact O-N 3.11Å; Q265-T268 PolarHBondContact O-OG1 2.94Å; Q265-Y270 HydrophobicContact CB-CE2 3.71Å; Q265-Y270 VanDerWaalsContact OE1-CE2 3.24Å; Q265-Y270 PolarHBondContact OE1-OH 3Å
266	G	76.8	Confident	87.7	Confident	64 Å²	64	39.5 Å²	39.5	66%	0.66	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	-131	-163.6	0	0	0	0	0	109.9	T268	G266-T268 PolarHBondContact O-N 3.41Å
267	Q	75.6	Confident	87.7	Confident	200 Å²	200	39.8 Å²	39.8	94%	0.935	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.4	177.8	-66.1	175	-14.2	0	0	114.3	Q265	Q265-Q267 PolarHBondContact O-N 3.28Å
268	T	82.2	Confident	87.6	Confident	71 Å²	71	41.4 Å²	41.4	44%	0.436	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.5	-176.3	60.7	0	0	0	0	112	K264 Q265 G266	K264-T268 CarbonylContact C-O 3.25Å; K264-T268 WeakPolarHBondContact CA-O 3.32Å; Q265-T268 PolarHBondContact N-O 3.46Å; Q265-T268 PolarHBondContact O-N 3Å; Q265-T268 VanDerWaalsContact O-N 3.11Å; Q265-T268 PolarHBondContact O-OG1 2.94Å; G266-T268 PolarHBondContact O-N 3.41Å
269	R	85.6	Confident	87.6	Confident	91 Å²	91	43.6 Å²	43.6	34%	0.343	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.2	-176.8	-72	159.4	165.8	-97.5	5.9	110.2	D154 D155 P262 K264	D154-R269 PolarHBondContact O-NH2 2.93Å; D155-R269 IonicContact OD1-CZ 3.74Å; D155-R269 IonicContact OD1-NH1 3.77Å; D155-R269 PolarHBondContact OD1-NH1 3.17Å; D155-R269 IonicContact OD1-NH2 3.18Å; D155-R269 PolarHBondContact OD1-NH2 3.07Å; D155-R269 IonicContact OD2-NH1 2.65Å; D155-R269 PolarHBondContact OD2-NH1 3.26Å; D155-R269 IonicContact OD2-NH2 2.76Å; P262-R269 HydrophobicContact CB-CB 4.33Å; P262-R269 HydrophobicContact CG-CB 4.32Å; K264-R269 HydrophobicContact CG-CG 4.21Å
270	Y	90.8	Very high	87.7	Confident	51 Å²	51	49.4 Å²	49.4	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	99.8	178.1	-54.2	-69.2	0	0	0	110.4	T209 P210 P262 I263 Q265 F272	T209-Y270 HydrophobicContact CG2-CD1 3.4Å; T209-Y270 HydrophobicContact CG2-CE1 3.93Å; T209-Y270 HydrophobicContact CG2-CG 4.2Å; P210-Y270 HydrophobicContact CB-CD2 4.08Å; P210-Y270 HydrophobicContact CB-CE1 4.49Å; P210-Y270 HydrophobicContact CB-CE2 3.65Å; P210-Y270 HydrophobicContact CG-CD2 4.42Å; P210-Y270 HydrophobicContact CG-CE2 4.43Å; P262-Y270 WeakPolarHBondContact CA-O 3.08Å; P262-Y270 WeakPolarHBondContact CB-O 3.46Å; I263-Y270 HydrophobicContact CG1-CD2 4.25Å; I263-Y270 PolarHBondContact N-O 3.29Å; I263-Y270 PolarHBondContact O-N 2.73Å; Q265-Y270 HydrophobicContact CB-CE2 3.71Å; Q265-Y270 VanDerWaalsContact OE1-CE2 3.24Å; Q265-Y270 PolarHBondContact OE1-OH 3Å; Y270-F272 PolarHBondContact O-N 3.25Å
271	H	90.6	Very high	88.2	Confident	92 Å²	92	52.9 Å²	52.9	43%	0.426	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-8.8	172.8	-62.5	-97.7	0	0	0	112.9	L259 P262	L259-H271 PolarHBondContact N-O 2.72Å; P262-H271 HydrophobicContact CB-CB 4.45Å
272	F	94.4	Very high	88.7	Confident	27 Å²	27	55.8 Å²	55.8	12%	0.118	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	129.7	177.2	-57.8	-90	0	0	0	109.8	T209 V256 I257 S258 Y270 P366 H368	T209-F272 WeakPolarHBondContact CG2-O 3.16Å; V256-F272 HydrophobicContact CG1-CB 4.1Å; V256-F272 HydrophobicContact CG1-CD1 3.93Å; V256-F272 HydrophobicContact CG1-CG 4.43Å; I257-F272 CarbonylContact O-C 3.51Å; I257-F272 VanDerWaalsContact O-CA 3.29Å; I257-F272 WeakPolarHBondContact O-CA 3.17Å; S258-F272 WeakPolarHBondContact OG-CE1 3.02Å; Y270-F272 PolarHBondContact O-N 3.25Å; F272-P366 HydrophobicContact CB-CB 3.96Å; F272-P366 HydrophobicContact CB-CG 3.79Å; F272-P366 HydrophobicContact CD2-CB 3.84Å; F272-P366 HydrophobicContact CD2-CG 3.78Å; F272-P366 HydrophobicContact CG-CB 3.98Å; F272-P366 HydrophobicContact CG-CG 4.09Å; F272-H368 HydrophobicContact CE1-CB 3.93Å; F272-H368 HydrophobicContact CZ-CB 3.85Å
273	L	94.7	Very high	89.1	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.6	164.9	167.3	61.3	0	0	0	107.7	T209 L225 I234 V256 I257 L259 L275	T209-L273 WeakPolarHBondContact O-CA 3.29Å; L225-L273 HydrophobicContact CD1-CD2 4.42Å; L225-L273 HydrophobicContact CD2-CD1 3.93Å; L225-L273 HydrophobicContact CD2-CD2 4.05Å; I234-L273 HydrophobicContact CD1-CD2 4.4Å; V256-L273 WeakPolarHBondContact CA-O 3.28Å; I257-L273 HydrophobicContact CB-CB 4.25Å; I257-L273 HydrophobicContact CD1-CD2 3.83Å; I257-L273 HydrophobicContact CD1-CG 4.22Å; I257-L273 PolarHBondContact N-O 2.64Å; I257-L273 PolarHBondContact O-N 3.43Å; L259-L273 HydrophobicContact CD1-CB 4.09Å; L273-L275 HydrophobicContact CD1-CD2 3.91Å; L273-L275 HydrophobicContact CG-CD2 4.15Å
274	I	95.8	Very high	89.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.9	-179.1	-52.3	171.6	0	0	0	109.1	C207 L208 T209 F254 V256 H363 P366	C207-I274 CarbonylContact C-O 3.59Å; C207-I274 WeakPolarHBondContact CA-O 3.39Å; L208-I274 HydrophobicContact CB-CB 4.2Å; L208-I274 HydrophobicContact CB-CG2 4.06Å; L208-I274 HydrophobicContact CD1-CG2 4.05Å; L208-I274 HydrophobicContact CG-CG2 4.35Å; L208-I274 PolarHBondContact N-O 3.01Å; T209-I274 PolarHBondContact O-N 3.07Å; F254-I274 HydrophobicContact CD1-CG2 4.02Å; V256-I274 HydrophobicContact CG1-CG1 4.24Å; V256-I274 HydrophobicContact CG2-CG1 4.44Å; V256-I274 HydrophobicContact CG2-CG2 4.34Å; I274-H363 HydrophobicContact CD1-CB 3.87Å; I274-P366 HydrophobicContact CD1-CB 3.86Å; I274-P366 HydrophobicContact CD1-CG 4.03Å
275	L	95.7	Very high	90	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.8	168.9	-45.8	-178.4	0	0	0	109.5	L205 C207 I216 F254 F255 L273 F277 V314	L205-L275 HydrophobicContact CD1-CD1 4.15Å; C207-L275 HydrophobicContact CB-CD2 4.42Å; C207-L275 WeakPolarHBondContact SG-CD2 3.35Å; I216-L275 HydrophobicContact CD1-CD1 3.88Å; I216-L275 HydrophobicContact CD1-CD2 4.29Å; F254-L275 WeakPolarHBondContact CA-O 3.49Å; F255-L275 HydrophobicContact CB-CB 4.29Å; F255-L275 HydrophobicContact CD1-CD1 4.09Å; F255-L275 PolarHBondContact N-O 2.79Å; F255-L275 PolarHBondContact O-N 2.81Å; L273-L275 HydrophobicContact CD1-CD2 3.91Å; L273-L275 HydrophobicContact CG-CD2 4.15Å; L275-F277 HydrophobicContact CB-CE2 3.83Å; L275-F277 HydrophobicContact CB-CZ 3.87Å; L275-F277 HydrophobicContact CD1-CE2 4.12Å; L275-F277 HydrophobicContact CD1-CZ 3.67Å; L275-F277 HydrophobicContact CG-CZ 4.42Å; L275-V314 HydrophobicContact CD1-CG1 4.32Å
276	L	95.5	Very high	90.5	Very high	20 Å²	20	60.9 Å²	60.9	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	172.5	-177	68.8	0	0	0	109.1	Q206 L208 Q252 F254	Q206-L276 PolarHBondContact O-N 2.99Å; L208-L276 HydrophobicContact CD1-CB 4.07Å; L208-L276 HydrophobicContact CD1-CD2 4.2Å; L208-L276 HydrophobicContact CD2-CB 4.33Å; L208-L276 HydrophobicContact CD2-CD2 4.1Å; L208-L276 HydrophobicContact CG-CB 4.01Å; L208-L276 HydrophobicContact CG-CD2 4.46Å; Q252-L276 HydrophobicContact CB-CD1 4.05Å; F254-L276 HydrophobicContact CD1-CD1 3.83Å; F254-L276 HydrophobicContact CE1-CD1 3.87Å; F254-L276 HydrophobicContact CG-CD1 4.33Å; F254-L276 HydrophobicContact CZ-CD1 4.39Å
277	F	95.3	Very high	91	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.9	-179.4	-58.9	-70	0	0	0	110.8	L205 Q252 M253 F255 L275 L310 Y311 V314	L205-F277 HydrophobicContact CD1-CE1 4.11Å; L205-F277 HydrophobicContact CD1-CZ 4.25Å; L205-F277 HydrophobicContact CD2-CE1 3.96Å; Q252-F277 CarbonylContact C-O 3.46Å; Q252-F277 VanDerWaalsContact CA-O 3.29Å; Q252-F277 WeakPolarHBondContact CA-O 3.5Å; M253-F277 PolarHBondContact N-O 2.94Å; M253-F277 PolarHBondContact O-N 3.36Å; F255-F277 HydrophobicContact CB-CD2 4.27Å; F255-F277 HydrophobicContact CB-CE2 3.67Å; F255-F277 HydrophobicContact CG-CE2 4.49Å; L275-F277 HydrophobicContact CB-CE2 3.83Å; L275-F277 HydrophobicContact CB-CZ 3.87Å; L275-F277 HydrophobicContact CD1-CE2 4.12Å; L275-F277 HydrophobicContact CD1-CZ 3.67Å; L275-F277 HydrophobicContact CG-CZ 4.42Å; F277-L310 HydrophobicContact CD1-CD2 3.71Å; F277-L310 HydrophobicContact CD1-CG 3.82Å; F277-L310 HydrophobicContact CE1-CD2 3.87Å; F277-L310 HydrophobicContact CE1-CG 3.8Å; F277-Y311 VanDerWaalsContact CD2-CB 3.5Å; F277-V314 HydrophobicContact CE1-CG2 4.35Å; F277-V314 HydrophobicContact CE2-CG1 4.47Å; F277-V314 HydrophobicContact CZ-CB 4.13Å; F277-V314 HydrophobicContact CZ-CG1 4.11Å; F277-V314 HydrophobicContact CZ-CG2 3.91Å
278	S	95	Very high	91.6	Very high	36 Å²	36	53 Å²	53	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	152.5	158.2	-162.4	0	0	0	0	109.8	D280	S278-D280 VanDerWaalsContact C-N 3.27Å; S278-D280 PolarHBondContact OG-N 2.79Å; S278-D280 PolarHBondContact OG-OD2 3.43Å
279	K	92.3	Very high	91.7	Very high	60 Å²	60	50.9 Å²	50.9	26%	0.261	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-25.8	165.1	-71.2	-172.5	-170.3	170.6	0	111.9	Q250 R251 M253 E281 Y311	Q250-K279 VanDerWaalsContact O-CD 3.27Å; Q250-K279 WeakPolarHBondContact O-CD 3.46Å; Q250-K279 WeakPolarHBondContact O-CE 3.32Å; Q250-K279 PolarHBondContact O-NZ 2.97Å; R251-K279 WeakPolarHBondContact O-CB 3.49Å; R251-K279 PolarHBondContact O-N 3.38Å; M253-K279 HydrophobicContact CG-CG 3.76Å; M253-K279 HydrophobicContact SD-CD 4.36Å; M253-K279 WeakPolarHBondContact SD-CE 3.22Å; M253-K279 HydrophobicContact SD-CG 4.2Å; K279-E281 PolarHBondContact O-N 2.94Å; K279-Y311 HydrophobicContact CB-CE1 4.38Å; K279-Y311 HydrophobicContact CG-CE1 4.12Å
280	D	92	Very high	91.8	Very high	126 Å²	126	51.5 Å²	51.5	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	7.4	-178.6	-42.2	-42.8	0	0	0	113.4	S278	S278-D280 VanDerWaalsContact C-N 3.27Å; S278-D280 PolarHBondContact OG-N 2.79Å; S278-D280 PolarHBondContact OG-OD2 3.43Å
281	E	92.2	Very high	91.6	Very high	92 Å²	92	55 Å²	55	43%	0.43	29%	0.292	S	S	.	.			trans	-105.7	99.9	-174	-173.7	170.1	-154.6	0	0	109.8	K279 L310	K279-E281 PolarHBondContact O-N 2.94Å; E281-L310 HydrophobicContact CG-CB 4.19Å; E281-L310 HydrophobicContact CG-CD2 3.76Å; E281-L310 WeakPolarHBondContact O-CB 3.37Å; E281-L310 PolarHBondContact O-N 3.37Å
282	D	92.3	Very high	91.4	Very high	122 Å²	122	58.7 Å²	58.7	65%	0.652	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	153.3	178.8	-74.3	-46	0	0	0	113.2	S309	D282-S309 VanDerWaalsContact OD1-CA 3.26Å; D282-S309 WeakPolarHBondContact OD1-CA 3.44Å; D282-S309 PolarHBondContact OD1-N 3.49Å
283	I	92.9	Very high	90.9	Very high	42 Å²	42	61.7 Å²	61.7	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.5	173.3	-166.7	167	0	0	0	111.5	F202 L285 S307 G308 L310 M313	F202-I283 HydrophobicContact CD1-CD1 4.01Å; F202-I283 HydrophobicContact CE1-CD1 4.42Å; I283-L285 HydrophobicContact CD1-CD1 4.17Å; I283-S307 WeakPolarHBondContact O-CA 3.42Å; I283-G308 PolarHBondContact N-O 3.18Å; I283-G308 PolarHBondContact O-N 2.8Å; I283-G308 VanDerWaalsContact O-N 3.11Å; I283-G308 VanDerWaalsContact O-O 3.07Å; I283-L310 HydrophobicContact CB-CD1 4.14Å; I283-L310 HydrophobicContact CD1-CD1 3.87Å; I283-L310 HydrophobicContact CG2-CB 4.33Å; I283-L310 HydrophobicContact CG2-CD1 3.9Å; I283-M313 HydrophobicContact CG2-CB 3.59Å; I283-M313 HydrophobicContact CG2-CE 4.4Å; I283-M313 HydrophobicContact CG2-CG 3.74Å
284	S	91.1	Very high	90.4	Very high	87 Å²	87	61.8 Å²	61.8	61%	0.608	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.4	159.8	-177.5	0	0	0	0	108.5	S307	S284-S307 PolarHBondContact OG-OG 2.93Å
285	L	90.3	Very high	90	Very high	9 Å²	9	66.9 Å²	66.9	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.4	-173.1	-162.3	77.3	0	0	0	109.7	C200 F202 I283 L287 M306 M313 V317	C200-L285 HydrophobicContact CB-CD1 4Å; C200-L285 HydrophobicContact CB-CD2 4.1Å; C200-L285 HydrophobicContact CB-CG 4.14Å; F202-L285 HydrophobicContact CD1-CD1 4.41Å; F202-L285 HydrophobicContact CE1-CD1 4.01Å; F202-L285 HydrophobicContact CE1-CD2 3.93Å; F202-L285 HydrophobicContact CZ-CD1 4.44Å; F202-L285 HydrophobicContact CZ-CD2 3.76Å; I283-L285 HydrophobicContact CD1-CD1 4.17Å; L285-L287 HydrophobicContact CD2-CD2 4.04Å; L285-L287 HydrophobicContact CG-CD2 4.45Å; L285-M306 HydrophobicContact CD2-CE 4.37Å; L285-M306 PolarHBondContact N-O 2.88Å; L285-M306 PolarHBondContact O-N 2.86Å; L285-M313 HydrophobicContact CB-CG 4.05Å; L285-M313 HydrophobicContact CB-SD 4.16Å; L285-M313 HydrophobicContact CD2-CG 3.8Å; L285-M313 HydrophobicContact CD2-SD 4.25Å; L285-M313 HydrophobicContact CG-CG 4.5Å; L285-V317 HydrophobicContact CD2-CG2 3.94Å
286	T	89.3	Confident	89.5	Confident	83 Å²	83	75.9 Å²	75.9	51%	0.509	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.9	166.5	-58.4	0	0	0	0	108.8	K304 N305	T286-K304 CarbonylContact C-O 3.56Å; T286-K304 WeakPolarHBondContact CA-O 3.41Å; T286-N305 WeakPolarHBondContact CB-OD1 3.34Å; T286-N305 WeakPolarHBondContact CG2-OD1 3.31Å; T286-N305 PolarHBondContact OG1-OD1 3.17Å
287	L	88.3	Confident	88.9	Confident	1 Å²	1	81 Å²	81	1%	0.005	41%	0.405	C	S	.	.			trans	-81.5	134.3	172.6	-53.9	-175.8	0	0	0	110.1	I199 C200 L285 M289 V294 L302 T303 K304 M306	I199-L287 HydrophobicContact CG2-CB 4.37Å; I199-L287 HydrophobicContact CG2-CD2 4.31Å; I199-L287 WeakPolarHBondContact O-CA 3.28Å; C200-L287 HydrophobicContact CB-CD2 4.02Å; L285-L287 HydrophobicContact CD2-CD2 4.04Å; L285-L287 HydrophobicContact CG-CD2 4.45Å; L287-M289 PolarHBondContact O-N 3.4Å; L287-V294 HydrophobicContact CD1-CG1 4.24Å; L287-V294 HydrophobicContact CD1-CG2 4.05Å; L287-L302 HydrophobicContact CD1-CB 4.23Å; L287-L302 HydrophobicContact CD1-CD1 4.25Å; L287-T303 WeakPolarHBondContact CD1-O 3.39Å; L287-K304 PolarHBondContact N-O 2.83Å; L287-K304 PolarHBondContact O-NZ 2.81Å; L287-K304 VanDerWaalsContact O-NZ 3.09Å; L287-M306 HydrophobicContact CD1-CE 3.93Å; L287-M306 HydrophobicContact CD2-CE 3.95Å; L287-M306 HydrophobicContact CG-CE 4.01Å
288	N	88.1	Confident	88.3	Confident	97 Å²	97	81.3 Å²	81.3	52%	0.519	41%	0.406	S	S	.	.	S	Bend	trans	-80.9	52.6	177.1	-162.4	32.2	0	0	0	111.7	D197 I199	D197-N288 WeakPolarHBondContact CB-ND2 3.35Å; I199-N288 PolarHBondContact O-N 3.32Å
289	M	83	Confident	87.8	Confident	27 Å²	27	85.8 Å²	85.8	13%	0.133	42%	0.423	C	S	.	.	S	Bend	trans	-146.9	158.5	180	-68.1	-170.5	62.2	0	0	109.6	I199 L287 E293 V294 R297 F298 K304	I199-M289 HydrophobicContact CD1-SD 4.02Å; I199-M289 HydrophobicContact CG1-SD 4.11Å; I199-M289 HydrophobicContact CG2-CG 4.17Å; I199-M289 HydrophobicContact CG2-SD 3.98Å; L287-M289 PolarHBondContact O-N 3.4Å; M289-E293 HydrophobicContact CE-CB 3.67Å; M289-V294 HydrophobicContact CB-CG2 3.73Å; M289-R297 HydrophobicContact CE-CG 4.47Å; M289-F298 HydrophobicContact SD-CE2 4.21Å; M289-K304 WeakPolarHBondContact O-CD 3.44Å; M289-K304 PolarHBondContact O-NZ 2.9Å
290	N	88.8	Confident	87.3	Confident	103 Å²	103	84.8 Å²	84.8	55%	0.551	43%	0.43	S	S	*	.			trans	-78.2	158.1	176.2	-66.5	-29.8	0	0	0	111.8	E292 E293 V294	N290-E292 PolarHBondContact O-N 2.91Å; N290-E293 HydrophobicContact CB-CB 4.5Å; N290-E293 HydrophobicContact CB-CG 4.04Å; N290-E293 WeakPolarHBondContact CB-OE2 3.28Å; N290-E293 PolarHBondContact N-OE2 3.06Å; N290-E293 WeakPolarHBondContact O-CB 3.29Å; N290-E293 PolarHBondContact O-N 3.4Å; N290-E293 VanDerWaalsContact O-N 3.13Å; N290-V294 WeakPolarHBondContact O-CG2 3.34Å; N290-V294 PolarHBondContact O-N 2.87Å
291	E	86.9	Confident	86.9	Confident	126 Å²	126	83.5 Å²	83.5	59%	0.589	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-41.3	-172.3	-54.5	-162.8	145.6	0	0	111.7	E293 V294 E295 K304	E291-E293 VanDerWaalsContact C-N 3.33Å; E291-E293 PolarHBondContact O-N 3.33Å; E291-V294 PolarHBondContact O-N 3.2Å; E291-E295 PolarHBondContact O-N 2.87Å; E291-K304 HydrophobicContact CG-CB 3.73Å; E291-K304 HydrophobicContact CG-CD 3.52Å; E291-K304 HydrophobicContact CG-CG 4.26Å
292	E	86	Confident	86.8	Confident	169 Å²	169	79.3 Å²	79.3	79%	0.79	40%	0.396	S	S	*	.	H	α-helix	trans	-60.5	-37.8	172	-61.2	173.8	-169.5	0	0	113	N290 K296	N290-E292 PolarHBondContact O-N 2.91Å; E292-K296 WeakPolarHBondContact O-CB 3.32Å; E292-K296 PolarHBondContact O-N 3.39Å
293	E	83.4	Confident	86.6	Confident	90 Å²	90	77.3 Å²	77.3	42%	0.421	39%	0.389	S	S	.	.	H	α-helix	trans	-72.3	-37.9	178.1	-61.6	178	132.2	0	0	111.9	M289 N290 E291 R297	M289-E293 HydrophobicContact CE-CB 3.67Å; N290-E293 HydrophobicContact CB-CB 4.5Å; N290-E293 HydrophobicContact CB-CG 4.04Å; N290-E293 WeakPolarHBondContact CB-OE2 3.28Å; N290-E293 PolarHBondContact N-OE2 3.06Å; N290-E293 WeakPolarHBondContact O-CB 3.29Å; N290-E293 PolarHBondContact O-N 3.4Å; N290-E293 VanDerWaalsContact O-N 3.13Å; E291-E293 VanDerWaalsContact C-N 3.33Å; E291-E293 PolarHBondContact O-N 3.33Å; E293-R297 WeakPolarHBondContact O-CB 3.45Å; E293-R297 PolarHBondContact O-N 2.81Å
294	V	84.7	Confident	86.5	Confident	3 Å²	3	77.7 Å²	77.7	2%	0.018	39%	0.388	C	S	.	.	H	α-helix	trans	-63.7	-47.5	175.4	167.4	0	0	0	0	109.6	L287 M289 N290 E291 R297 F298 L302	L287-V294 HydrophobicContact CD1-CG1 4.24Å; L287-V294 HydrophobicContact CD1-CG2 4.05Å; M289-V294 HydrophobicContact CB-CG2 3.73Å; N290-V294 WeakPolarHBondContact O-CG2 3.34Å; N290-V294 PolarHBondContact O-N 2.87Å; E291-V294 PolarHBondContact O-N 3.2Å; V294-R297 PolarHBondContact O-N 3.47Å; V294-F298 HydrophobicContact CB-CD2 4.42Å; V294-F298 HydrophobicContact CG1-CD2 4.06Å; V294-F298 WeakPolarHBondContact O-CB 3.3Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.35Å; V294-F298 PolarHBondContact O-N 3Å; V294-L302 HydrophobicContact CG1-CB 4.25Å; V294-L302 WeakPolarHBondContact CG1-O 3.28Å
295	E	86.6	Confident	86.5	Confident	106 Å²	106	77.7 Å²	77.7	50%	0.495	38%	0.382	S	S	.	.	H	α-helix	trans	-59	-51	176	-169.6	55.6	-134.3	0	0	110.9	E291 R297 F298 E299 G300	E291-E295 PolarHBondContact O-N 2.87Å; E295-R297 PolarHBondContact O-N 2.83Å; E295-F298 PolarHBondContact O-N 3.3Å; E295-E299 PolarHBondContact O-N 2.88Å; E295-G300 WeakPolarHBondContact OE1-CA 3.43Å; E295-G300 PolarHBondContact OE1-N 2.89Å; E295-G300 VanDerWaalsContact OE2-CA 3.31Å; E295-G300 WeakPolarHBondContact OE2-CA 3.29Å
296	K	86.1	Confident	86.5	Confident	190 Å²	190	77.9 Å²	77.9	83%	0.826	38%	0.382	S	S	*	.	H	α-helix	trans	-63.7	-32.9	179.9	-176.1	175.7	-179.7	176.9	0	114.2	E292	E292-K296 WeakPolarHBondContact O-CB 3.32Å; E292-K296 PolarHBondContact O-N 3.39Å
297	R	81.4	Confident	86.6	Confident	128 Å²	128	78.3 Å²	78.3	48%	0.483	39%	0.389	S	S	.	.	H	α-helix	trans	-83.9	-34.4	177.4	-100.3	-154.6	171.5	-128.1	-7.5	113.9	P220 M289 E293 V294 E295	P220-R297 PolarHBondContact O-NH1 2.99Å; M289-R297 HydrophobicContact CE-CG 4.47Å; E293-R297 WeakPolarHBondContact O-CB 3.45Å; E293-R297 PolarHBondContact O-N 2.81Å; V294-R297 PolarHBondContact O-N 3.47Å; E295-R297 PolarHBondContact O-N 2.83Å
298	F	84.6	Confident	86.8	Confident	11 Å²	11	79.3 Å²	79.3	5%	0.048	40%	0.399	C	S	.	.	H	α-helix	trans	-117.8	6	-164.8	-57.1	-64.9	0	0	0	113.9	M289 V294 E295 G300 R301 L302 A320 L321	M289-F298 HydrophobicContact SD-CE2 4.21Å; V294-F298 HydrophobicContact CB-CD2 4.42Å; V294-F298 HydrophobicContact CG1-CD2 4.06Å; V294-F298 WeakPolarHBondContact O-CB 3.3Å; V294-F298 VanDerWaalsContact O-CD2 3.31Å; V294-F298 WeakPolarHBondContact O-CD2 3.35Å; V294-F298 PolarHBondContact O-N 3Å; E295-F298 PolarHBondContact O-N 3.3Å; F298-G300 VanDerWaalsContact C-N 3.34Å; F298-G300 PolarHBondContact O-N 3.01Å; F298-R301 WeakPolarHBondContact O-CB 3.48Å; F298-R301 WeakPolarHBondContact O-CD 3.46Å; F298-R301 WeakPolarHBondContact O-CG 3.49Å; F298-R301 PolarHBondContact O-N 3.49Å; F298-L302 HydrophobicContact CB-CB 4.32Å; F298-L302 HydrophobicContact CB-CD1 4.45Å; F298-L302 HydrophobicContact CB-CG 4.32Å; F298-L302 HydrophobicContact CD1-CD1 4.06Å; F298-L302 HydrophobicContact CD2-CB 4.42Å; F298-L302 HydrophobicContact CD2-CD1 3.97Å; F298-L302 HydrophobicContact CE1-CD1 4.25Å; F298-L302 HydrophobicContact CE2-CD1 4.18Å; F298-L302 HydrophobicContact CG-CB 4.47Å; F298-L302 HydrophobicContact CG-CD1 3.9Å; F298-L302 HydrophobicContact CG-CG 4.31Å; F298-L302 HydrophobicContact CZ-CD1 4.31Å; F298-A320 HydrophobicContact CD1-CB 3.89Å; F298-L321 HydrophobicContact CE1-CD2 3.84Å; F298-L321 HydrophobicContact CE1-CG 4.32Å; F298-L321 HydrophobicContact CZ-CD2 4.12Å
299	E	83.8	Confident	87.1	Confident	129 Å²	129	75.2 Å²	75.2	60%	0.603	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	46.1	174	-52.3	167.5	-172.6	0	0	112.1	E295 R301	E295-E299 PolarHBondContact O-N 2.88Å; E299-R301 HydrophobicContact CB-CG 4.5Å; E299-R301 PolarHBondContact O-N 3.07Å; E299-R301 IonicContact OE1-NH2 2.73Å; E299-R301 IonicContact OE2-CZ 3.83Å; E299-R301 IonicContact OE2-NE 2.74Å; E299-R301 PolarHBondContact OE2-NE 2.73Å; E299-R301 VanDerWaalsContact OE2-NE 3.07Å; E299-R301 IonicContact OE2-NH2 2.72Å; E299-R301 PolarHBondContact OE2-NH2 3.21Å
300	G	81.1	Confident	87.6	Confident	40 Å²	40	74.4 Å²	74.4	41%	0.412	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	3.6	-176.3	0	0	0	0	0	115.9	E295 F298 L302	E295-G300 WeakPolarHBondContact OE1-CA 3.43Å; E295-G300 PolarHBondContact OE1-N 2.89Å; E295-G300 VanDerWaalsContact OE2-CA 3.31Å; E295-G300 WeakPolarHBondContact OE2-CA 3.29Å; F298-G300 VanDerWaalsContact C-N 3.34Å; F298-G300 PolarHBondContact O-N 3.01Å; G300-L302 VanDerWaalsContact C-N 3.29Å; G300-L302 PolarHBondContact O-N 2.98Å
301	R	85.1	Confident	87.9	Confident	98 Å²	98	71.9 Å²	71.9	37%	0.37	36%	0.358	S	S	.	.	S	Bend	trans	-74.4	-17.4	-175.9	-57.4	165.9	-172	-157.8	4.8	113.6	F298 E299 A320 N323	F298-R301 WeakPolarHBondContact O-CB 3.48Å; F298-R301 WeakPolarHBondContact O-CD 3.46Å; F298-R301 WeakPolarHBondContact O-CG 3.49Å; F298-R301 PolarHBondContact O-N 3.49Å; E299-R301 HydrophobicContact CB-CG 4.5Å; E299-R301 PolarHBondContact O-N 3.07Å; E299-R301 IonicContact OE1-NH2 2.73Å; E299-R301 IonicContact OE2-CZ 3.83Å; E299-R301 IonicContact OE2-NE 2.74Å; E299-R301 PolarHBondContact OE2-NE 2.73Å; E299-R301 VanDerWaalsContact OE2-NE 3.07Å; E299-R301 IonicContact OE2-NH2 2.72Å; E299-R301 PolarHBondContact OE2-NH2 3.21Å; R301-A320 HydrophobicContact CB-CB 4.48Å; R301-N323 PolarHBondContact NH1-OD1 3.07Å; R301-N323 PolarHBondContact NH2-OD1 2.93Å
302	L	88.7	Confident	88.2	Confident	4 Å²	4	69 Å²	69	2%	0.021	34%	0.344	C	S	.	.	S	Bend	trans	-134	152.6	176.7	-59.4	-179.3	0	0	0	109.1	L287 V294 F298 G300 M306 R316 V317 A320	L287-L302 HydrophobicContact CD1-CB 4.23Å; L287-L302 HydrophobicContact CD1-CD1 4.25Å; V294-L302 HydrophobicContact CG1-CB 4.25Å; V294-L302 WeakPolarHBondContact CG1-O 3.28Å; F298-L302 HydrophobicContact CB-CB 4.32Å; F298-L302 HydrophobicContact CB-CD1 4.45Å; F298-L302 HydrophobicContact CB-CG 4.32Å; F298-L302 HydrophobicContact CD1-CD1 4.06Å; F298-L302 HydrophobicContact CD2-CB 4.42Å; F298-L302 HydrophobicContact CD2-CD1 3.97Å; F298-L302 HydrophobicContact CE1-CD1 4.25Å; F298-L302 HydrophobicContact CE2-CD1 4.18Å; F298-L302 HydrophobicContact CG-CB 4.47Å; F298-L302 HydrophobicContact CG-CD1 3.9Å; F298-L302 HydrophobicContact CG-CG 4.31Å; F298-L302 HydrophobicContact CZ-CD1 4.31Å; G300-L302 VanDerWaalsContact C-N 3.29Å; G300-L302 PolarHBondContact O-N 2.98Å; L302-M306 HydrophobicContact CB-CE 4.23Å; L302-M306 HydrophobicContact CB-SD 4.1Å; L302-M306 HydrophobicContact CD2-CE 4.04Å; L302-M306 HydrophobicContact CD2-SD 3.81Å; L302-R316 HydrophobicContact CD2-CB 4.24Å; L302-V317 HydrophobicContact CD1-CG2 4.42Å; L302-V317 HydrophobicContact CD2-CG2 4.16Å; L302-A320 HydrophobicContact CD1-CB 3.7Å; L302-A320 HydrophobicContact CD2-CB 4.09Å; L302-A320 HydrophobicContact CG-CB 3.71Å
303	T	88.9	Confident	88.5	Confident	81 Å²	81	61.2 Å²	61.2	50%	0.497	31%	0.308	S	S	.	.			trans	-115.7	158.4	170.1	51.2	0	0	0	0	110	L287 N305 M306	L287-T303 WeakPolarHBondContact CD1-O 3.39Å; T303-N305 PolarHBondContact O-N 2.88Å; T303-N305 PolarHBondContact OG1-O 2.79Å; T303-M306 WeakPolarHBondContact O-CE 3.32Å; T303-M306 WeakPolarHBondContact OG1-CG 3.33Å
304	K	89.5	Confident	89	Confident	49 Å²	49	57 Å²	57	21%	0.213	29%	0.289	C	S	.	.	S	Bend	trans	-59	-35.6	-179.4	175.8	176.8	178.8	62.5	0	113	T286 L287 M289 E291	T286-K304 CarbonylContact C-O 3.56Å; T286-K304 WeakPolarHBondContact CA-O 3.41Å; L287-K304 PolarHBondContact N-O 2.83Å; L287-K304 PolarHBondContact O-NZ 2.81Å; L287-K304 VanDerWaalsContact O-NZ 3.09Å; M289-K304 WeakPolarHBondContact O-CD 3.44Å; M289-K304 PolarHBondContact O-NZ 2.9Å; E291-K304 HydrophobicContact CG-CB 3.73Å; E291-K304 HydrophobicContact CG-CD 3.52Å; E291-K304 HydrophobicContact CG-CG 4.26Å
305	N	91.1	Very high	89.4	Confident	87 Å²	87	57.2 Å²	57.2	47%	0.465	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.4	171.4	-64.5	-70.4	0	0	0	109	T286 T303	T286-N305 WeakPolarHBondContact CB-OD1 3.34Å; T286-N305 WeakPolarHBondContact CG2-OD1 3.31Å; T286-N305 PolarHBondContact OG1-OD1 3.17Å; T303-N305 PolarHBondContact O-N 2.88Å; T303-N305 PolarHBondContact OG1-O 2.79Å
306	M	90.6	Very high	89.6	Confident	13 Å²	13	57.9 Å²	57.9	6%	0.064	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.9	177.7	-66.4	175.5	-70.4	0	0	109.6	L285 L287 L302 T303 M313 V317	L285-M306 HydrophobicContact CD2-CE 4.37Å; L285-M306 PolarHBondContact N-O 2.88Å; L285-M306 PolarHBondContact O-N 2.86Å; L287-M306 HydrophobicContact CD1-CE 3.93Å; L287-M306 HydrophobicContact CD2-CE 3.95Å; L287-M306 HydrophobicContact CG-CE 4.01Å; L302-M306 HydrophobicContact CB-CE 4.23Å; L302-M306 HydrophobicContact CB-SD 4.1Å; L302-M306 HydrophobicContact CD2-CE 4.04Å; L302-M306 HydrophobicContact CD2-SD 3.81Å; T303-M306 WeakPolarHBondContact O-CE 3.32Å; T303-M306 WeakPolarHBondContact OG1-CG 3.33Å; M306-M313 HydrophobicContact CB-CE 3.69Å; M306-M313 HydrophobicContact CB-SD 3.52Å; M306-M313 VanDerWaalsContact CB-SD 3.52Å; M306-M313 HydrophobicContact CE-SD 4.18Å; M306-M313 HydrophobicContact CG-SD 4.44Å; M306-M313 HydrophobicContact SD-SD 4.22Å; M306-V317 HydrophobicContact CE-CG2 4.16Å
307	S	91.5	Very high	89.9	Confident	93 Å²	93	49 Å²	49	65%	0.65	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.7	174.4	-62.6	0	0	0	0	110.5	I283 S284 M313	I283-S307 WeakPolarHBondContact O-CA 3.42Å; S284-S307 PolarHBondContact OG-OG 2.93Å; S307-M313 VanDerWaalsContact C-CE 3.49Å
308	G	92.7	Very high	90.3	Very high	21 Å²	21	43 Å²	43	22%	0.216	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-171.3	178.9	0	0	0	0	0	111.8	I283	I283-G308 PolarHBondContact N-O 3.18Å; I283-G308 PolarHBondContact O-N 2.8Å; I283-G308 VanDerWaalsContact O-N 3.11Å; I283-G308 VanDerWaalsContact O-O 3.07Å
309	S	94.5	Very high	90.7	Very high	12 Å²	12	47.5 Å²	47.5	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	141.8	-177.6	68.6	0	0	0	0	112.5	D282 Y311 E312 M313	D282-S309 VanDerWaalsContact OD1-CA 3.26Å; D282-S309 WeakPolarHBondContact OD1-CA 3.44Å; D282-S309 PolarHBondContact OD1-N 3.49Å; S309-Y311 VanDerWaalsContact C-N 3.33Å; S309-Y311 PolarHBondContact O-N 3.24Å; S309-Y311 WeakPolarHBondContact OG-CE1 3.18Å; S309-E312 WeakPolarHBondContact O-CB 3.22Å; S309-E312 PolarHBondContact O-N 2.86Å; S309-E312 VanDerWaalsContact O-N 3.1Å; S309-E312 WeakPolarHBondContact OG-CB 3.47Å; S309-M313 PolarHBondContact O-N 3.47Å
310	L	94.1	Very high	91	Very high	9 Å²	9	42 Å²	42	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-41.3	-174.3	176.8	60.4	0	0	0	112.3	F202 L205 F277 E281 I283 E312 M313 V314	F202-L310 HydrophobicContact CD1-CD1 3.84Å; F202-L310 HydrophobicContact CE1-CD1 4.38Å; L205-L310 HydrophobicContact CD2-CD1 4.41Å; L205-L310 HydrophobicContact CD2-CD2 3.91Å; F277-L310 HydrophobicContact CD1-CD2 3.71Å; F277-L310 HydrophobicContact CD1-CG 3.82Å; F277-L310 HydrophobicContact CE1-CD2 3.87Å; F277-L310 HydrophobicContact CE1-CG 3.8Å; E281-L310 HydrophobicContact CG-CB 4.19Å; E281-L310 HydrophobicContact CG-CD2 3.76Å; E281-L310 WeakPolarHBondContact O-CB 3.37Å; E281-L310 PolarHBondContact O-N 3.37Å; I283-L310 HydrophobicContact CB-CD1 4.14Å; I283-L310 HydrophobicContact CD1-CD1 3.87Å; I283-L310 HydrophobicContact CG2-CB 4.33Å; I283-L310 HydrophobicContact CG2-CD1 3.9Å; L310-E312 VanDerWaalsContact C-N 3.34Å; L310-M313 PolarHBondContact O-N 2.93Å; L310-V314 HydrophobicContact CD1-CG2 4.07Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 VanDerWaalsContact O-CG2 3.31Å; L310-V314 WeakPolarHBondContact O-CG2 3.31Å; L310-V314 PolarHBondContact O-N 3.47Å
311	Y	94.4	Very high	91.3	Very high	51 Å²	51	41.2 Å²	41.2	20%	0.2	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-38.8	177.1	74.9	-94.1	0	0	0	111.6	L244 M253 F277 K279 S309 S315	L244-Y311 HydrophobicContact CD1-CD2 3.84Å; L244-Y311 HydrophobicContact CD2-CD2 4.12Å; L244-Y311 HydrophobicContact CD2-CE2 4.36Å; M253-Y311 HydrophobicContact CB-CD1 4.31Å; M253-Y311 HydrophobicContact CB-CD2 4.24Å; M253-Y311 HydrophobicContact CB-CG 3.93Å; M253-Y311 HydrophobicContact CE-CD2 4.19Å; M253-Y311 HydrophobicContact CE-CE2 4.08Å; M253-Y311 HydrophobicContact CG-CD1 3.74Å; M253-Y311 HydrophobicContact CG-CD2 3.85Å; M253-Y311 HydrophobicContact CG-CE1 3.95Å; M253-Y311 HydrophobicContact CG-CE2 4.04Å; M253-Y311 HydrophobicContact CG-CG 3.7Å; F277-Y311 VanDerWaalsContact CD2-CB 3.5Å; K279-Y311 HydrophobicContact CB-CE1 4.38Å; K279-Y311 HydrophobicContact CG-CE1 4.12Å; S309-Y311 VanDerWaalsContact C-N 3.33Å; S309-Y311 PolarHBondContact O-N 3.24Å; S309-Y311 WeakPolarHBondContact OG-CE1 3.18Å; Y311-S315 VanDerWaalsContact O-CB 3.26Å; Y311-S315 WeakPolarHBondContact O-CB 3.49Å; Y311-S315 PolarHBondContact O-N 3.45Å; Y311-S315 PolarHBondContact O-OG 3.25Å
312	E	92.8	Very high	91.4	Very high	65 Å²	65	37.3 Å²	37.3	30%	0.304	20%	0.196	S	C	.	.	H	α-helix	trans	-66.9	-47.2	175.8	-172.8	-173.1	176.2	0	0	110.1	S309 L310 V314 S315 R316	S309-E312 WeakPolarHBondContact O-CB 3.22Å; S309-E312 PolarHBondContact O-N 2.86Å; S309-E312 VanDerWaalsContact O-N 3.1Å; S309-E312 WeakPolarHBondContact OG-CB 3.47Å; L310-E312 VanDerWaalsContact C-N 3.34Å; E312-V314 PolarHBondContact O-N 3.36Å; E312-S315 CarbonylContact O-C 3.57Å; E312-S315 WeakPolarHBondContact O-CA 3.37Å; E312-S315 PolarHBondContact O-N 2.99Å; E312-S315 PolarHBondContact O-OG 3Å; E312-R316 HydrophobicContact CG-CG 4.26Å; E312-R316 WeakPolarHBondContact O-CG 3.5Å; E312-R316 PolarHBondContact O-N 3.35Å; E312-R316 IonicContact OE1-CZ 3.35Å; E312-R316 IonicContact OE1-NE 3.74Å; E312-R316 PolarHBondContact OE1-NE 3.09Å; E312-R316 IonicContact OE1-NH2 2.71Å; E312-R316 PolarHBondContact OE1-NH2 3.21Å
313	M	92.8	Very high	91.2	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-49	-179.3	-162.3	64.3	63.4	0	0	112.1	F202 I283 L285 M306 S307 S309 L310 S315 R316 V317	F202-M313 HydrophobicContact CE1-CB 4.4Å; F202-M313 HydrophobicContact CE1-CG 4.07Å; F202-M313 HydrophobicContact CZ-CG 4.47Å; I283-M313 HydrophobicContact CG2-CB 3.59Å; I283-M313 HydrophobicContact CG2-CE 4.4Å; I283-M313 HydrophobicContact CG2-CG 3.74Å; L285-M313 HydrophobicContact CB-CG 4.05Å; L285-M313 HydrophobicContact CB-SD 4.16Å; L285-M313 HydrophobicContact CD2-CG 3.8Å; L285-M313 HydrophobicContact CD2-SD 4.25Å; L285-M313 HydrophobicContact CG-CG 4.5Å; M306-M313 HydrophobicContact CB-CE 3.69Å; M306-M313 HydrophobicContact CB-SD 3.52Å; M306-M313 VanDerWaalsContact CB-SD 3.52Å; M306-M313 HydrophobicContact CE-SD 4.18Å; M306-M313 HydrophobicContact CG-SD 4.44Å; M306-M313 HydrophobicContact SD-SD 4.22Å; S307-M313 VanDerWaalsContact C-CE 3.49Å; S309-M313 PolarHBondContact O-N 3.47Å; L310-M313 PolarHBondContact O-N 2.93Å; M313-S315 VanDerWaalsContact C-N 3.29Å; M313-S315 PolarHBondContact O-N 3.43Å; M313-R316 PolarHBondContact O-N 2.94Å; M313-V317 WeakPolarHBondContact O-CB 3.16Å; M313-V317 WeakPolarHBondContact O-CG2 3.31Å; M313-V317 PolarHBondContact O-N 3.43Å
314	V	93.5	Very high	90.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-43.3	173.7	170	0	0	0	0	110.2	F202 F255 L275 F277 L310 E312 M318	F202-V314 HydrophobicContact CD1-CG2 3.6Å; F202-V314 HydrophobicContact CD2-CG2 4.15Å; F202-V314 HydrophobicContact CE1-CG2 3.58Å; F202-V314 HydrophobicContact CE2-CG2 4.13Å; F202-V314 HydrophobicContact CG-CG2 3.89Å; F202-V314 HydrophobicContact CZ-CG2 3.85Å; F255-V314 HydrophobicContact CD1-CG1 4.06Å; F255-V314 HydrophobicContact CE1-CG1 4.03Å; L275-V314 HydrophobicContact CD1-CG1 4.32Å; F277-V314 HydrophobicContact CE1-CG2 4.35Å; F277-V314 HydrophobicContact CE2-CG1 4.47Å; F277-V314 HydrophobicContact CZ-CB 4.13Å; F277-V314 HydrophobicContact CZ-CG1 4.11Å; F277-V314 HydrophobicContact CZ-CG2 3.91Å; L310-V314 HydrophobicContact CD1-CG2 4.07Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 VanDerWaalsContact O-CG2 3.31Å; L310-V314 WeakPolarHBondContact O-CG2 3.31Å; L310-V314 PolarHBondContact O-N 3.47Å; E312-V314 PolarHBondContact O-N 3.36Å; V314-M318 HydrophobicContact CG1-CG 4.24Å; V314-M318 VanDerWaalsContact O-CB 3.24Å; V314-M318 WeakPolarHBondContact O-CB 3.22Å; V314-M318 WeakPolarHBondContact O-CG 3.34Å; V314-M318 PolarHBondContact O-N 3.01Å
315	S	92.6	Very high	90.9	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-40.8	-180	83.3	0	0	0	0	113.3	Y311 E312 M313 K319	Y311-S315 VanDerWaalsContact O-CB 3.26Å; Y311-S315 WeakPolarHBondContact O-CB 3.49Å; Y311-S315 PolarHBondContact O-N 3.45Å; Y311-S315 PolarHBondContact O-OG 3.25Å; E312-S315 CarbonylContact O-C 3.57Å; E312-S315 WeakPolarHBondContact O-CA 3.37Å; E312-S315 PolarHBondContact O-N 2.99Å; E312-S315 PolarHBondContact O-OG 3Å; M313-S315 VanDerWaalsContact C-N 3.29Å; M313-S315 PolarHBondContact O-N 3.43Å; S315-K319 WeakPolarHBondContact O-CB 3.31Å; S315-K319 PolarHBondContact O-N 2.97Å
316	R	91.8	Very high	91	Very high	120 Å²	120	49.2 Å²	49.2	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-51.7	176.4	-75.5	-179.3	177.9	-139.2	8.6	110.6	L302 E312 M313 K319 A320	L302-R316 HydrophobicContact CD2-CB 4.24Å; E312-R316 HydrophobicContact CG-CG 4.26Å; E312-R316 WeakPolarHBondContact O-CG 3.5Å; E312-R316 PolarHBondContact O-N 3.35Å; E312-R316 IonicContact OE1-CZ 3.35Å; E312-R316 IonicContact OE1-NE 3.74Å; E312-R316 PolarHBondContact OE1-NE 3.09Å; E312-R316 IonicContact OE1-NH2 2.71Å; E312-R316 PolarHBondContact OE1-NH2 3.21Å; M313-R316 PolarHBondContact O-N 2.94Å; R316-K319 PolarHBondContact O-N 3.2Å; R316-A320 PolarHBondContact O-N 3.32Å
317	V	92.1	Very high	91.1	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-47.4	179.4	170	0	0	0	0	110.8	F202 I218 L285 L302 M306 M313 K319 A320 L321	F202-V317 HydrophobicContact CE2-CG1 4.25Å; F202-V317 HydrophobicContact CZ-CB 4.24Å; F202-V317 HydrophobicContact CZ-CG1 4.38Å; F202-V317 HydrophobicContact CZ-CG2 4.2Å; I218-V317 HydrophobicContact CG1-CG1 4.28Å; L285-V317 HydrophobicContact CD2-CG2 3.94Å; L302-V317 HydrophobicContact CD1-CG2 4.42Å; L302-V317 HydrophobicContact CD2-CG2 4.16Å; M306-V317 HydrophobicContact CE-CG2 4.16Å; M313-V317 WeakPolarHBondContact O-CB 3.16Å; M313-V317 WeakPolarHBondContact O-CG2 3.31Å; M313-V317 PolarHBondContact O-N 3.43Å; V317-K319 PolarHBondContact O-N 2.83Å; V317-A320 PolarHBondContact O-N 3.11Å; V317-L321 HydrophobicContact CG1-CD1 3.5Å; V317-L321 VanDerWaalsContact CG1-CD1 3.5Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CD1 3.49Å; V317-L321 VanDerWaalsContact O-CG 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.35Å; V317-L321 PolarHBondContact O-N 3.39Å
318	M	91.1	Very high	91.2	Very high	3 Å²	3	50 Å²	50	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-37.7	177	-71.3	-67	-62.9	0	0	113.2	I218 L223 L242 F255 I257 V314 A320 V322	I218-M318 HydrophobicContact CD1-SD 4.46Å; L223-M318 HydrophobicContact CD2-CE 3.62Å; L223-M318 HydrophobicContact CD2-SD 3.71Å; L242-M318 HydrophobicContact CD1-CB 3.88Å; L242-M318 HydrophobicContact CD2-CB 4.45Å; L242-M318 HydrophobicContact CD2-CE 3.9Å; F255-M318 HydrophobicContact CE1-CB 4.25Å; F255-M318 HydrophobicContact CE1-CG 3.98Å; F255-M318 HydrophobicContact CZ-CB 3.88Å; F255-M318 HydrophobicContact CZ-CG 4.12Å; I257-M318 HydrophobicContact CD1-CE 4.02Å; I257-M318 HydrophobicContact CG1-CE 4.43Å; V314-M318 HydrophobicContact CG1-CG 4.24Å; V314-M318 VanDerWaalsContact O-CB 3.24Å; V314-M318 WeakPolarHBondContact O-CB 3.22Å; V314-M318 WeakPolarHBondContact O-CG 3.34Å; V314-M318 PolarHBondContact O-N 3.01Å; M318-A320 VanDerWaalsContact C-N 3.33Å; M318-A320 PolarHBondContact O-N 2.81Å; M318-V322 HydrophobicContact CE-CG2 3.9Å; M318-V322 VanDerWaalsContact O-CB 3.28Å; M318-V322 WeakPolarHBondContact O-CB 3.38Å; M318-V322 VanDerWaalsContact O-CG2 3.29Å; M318-V322 WeakPolarHBondContact O-CG2 3.24Å; M318-V322 PolarHBondContact O-N 3Å
319	K	91.5	Very high	91	Very high	105 Å²	105	49.7 Å²	49.7	46%	0.457	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-38.7	174.9	177.7	-172.8	172.9	-168.5	0	111.9	S315 R316 V317 N323 I326	S315-K319 WeakPolarHBondContact O-CB 3.31Å; S315-K319 PolarHBondContact O-N 2.97Å; R316-K319 PolarHBondContact O-N 3.2Å; V317-K319 PolarHBondContact O-N 2.83Å; K319-N323 WeakPolarHBondContact O-CA 3.29Å; K319-N323 PolarHBondContact O-N 2.78Å; K319-I326 HydrophobicContact CB-CD1 4.02Å; K319-I326 HydrophobicContact CB-CG1 4.15Å; K319-I326 HydrophobicContact CD-CD1 4.09Å; K319-I326 HydrophobicContact CG-CD1 4.44Å; K319-I326 HydrophobicContact CG-CG1 4.49Å
320	A	90.4	Very high	90.4	Very high	12 Å²	12	50 Å²	50	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-51.9	176.9	0	0	0	0	0	111.6	F298 R301 L302 R316 V317 M318 N323	F298-A320 HydrophobicContact CD1-CB 3.89Å; R301-A320 HydrophobicContact CB-CB 4.48Å; L302-A320 HydrophobicContact CD1-CB 3.7Å; L302-A320 HydrophobicContact CD2-CB 4.09Å; L302-A320 HydrophobicContact CG-CB 3.71Å; R316-A320 PolarHBondContact O-N 3.32Å; V317-A320 PolarHBondContact O-N 3.11Å; M318-A320 VanDerWaalsContact C-N 3.33Å; M318-A320 PolarHBondContact O-N 2.81Å; A320-N323 PolarHBondContact O-N 3.49Å
321	L	87.4	Confident	90	Very high	25 Å²	25	57.8 Å²	57.8	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-43.3	-177	-68.3	158.2	0	0	0	113.9	I218 Y236 F298 V317	I218-L321 HydrophobicContact CD1-CD1 4.06Å; I218-L321 HydrophobicContact CG1-CD1 4.39Å; I218-L321 HydrophobicContact CG2-CD1 3.46Å; I218-L321 VanDerWaalsContact CG2-CD1 3.46Å; I218-L321 HydrophobicContact CG2-CD2 4.05Å; I218-L321 HydrophobicContact CG2-CG 4.4Å; Y236-L321 HydrophobicContact CD1-CB 4.41Å; Y236-L321 HydrophobicContact CD2-CB 4.45Å; Y236-L321 HydrophobicContact CE1-CB 4.07Å; Y236-L321 HydrophobicContact CE1-CD1 4.27Å; Y236-L321 HydrophobicContact CE2-CB 4.14Å; Y236-L321 HydrophobicContact CE2-CD2 4Å; F298-L321 HydrophobicContact CE1-CD2 3.84Å; F298-L321 HydrophobicContact CE1-CG 4.32Å; F298-L321 HydrophobicContact CZ-CD2 4.12Å; V317-L321 HydrophobicContact CG1-CD1 3.5Å; V317-L321 VanDerWaalsContact CG1-CD1 3.5Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CD1 3.49Å; V317-L321 VanDerWaalsContact O-CG 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.35Å; V317-L321 PolarHBondContact O-N 3.39Å
322	V	87.2	Confident	89.8	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.097	27%	0.273	C	S	.	.	H	α-helix	trans	-86.6	-14.2	-176.2	-172.6	0	0	0	0	111.4	Y236 V239 L242 M318 R324	Y236-V322 HydrophobicContact CD1-CG2 3.81Å; Y236-V322 HydrophobicContact CG-CG2 4.31Å; V239-V322 HydrophobicContact CB-CG1 3.74Å; V239-V322 HydrophobicContact CB-CG2 4.4Å; V239-V322 HydrophobicContact CG1-CG1 3.78Å; V239-V322 HydrophobicContact CG1-CG2 4.42Å; V239-V322 HydrophobicContact CG2-CG2 4.45Å; L242-V322 HydrophobicContact CD1-CB 4.43Å; M318-V322 HydrophobicContact CE-CG2 3.9Å; M318-V322 VanDerWaalsContact O-CB 3.28Å; M318-V322 WeakPolarHBondContact O-CB 3.38Å; M318-V322 VanDerWaalsContact O-CG2 3.29Å; M318-V322 WeakPolarHBondContact O-CG2 3.24Å; M318-V322 PolarHBondContact O-N 3Å; V322-R324 HydrophobicContact CG1-CB 4.2Å; V322-R324 HydrophobicContact CG1-CG 3.79Å; V322-R324 PolarHBondContact O-N 3.16Å
323	N	85.6	Confident	89.6	Confident	97 Å²	97	58.7 Å²	58.7	52%	0.519	29%	0.287	S	S	.	.			trans	49.4	37.1	-175.5	-157.7	8.1	0	0	0	113.7	R301 K319 A320	R301-N323 PolarHBondContact NH1-OD1 3.07Å; R301-N323 PolarHBondContact NH2-OD1 2.93Å; K319-N323 WeakPolarHBondContact O-CA 3.29Å; K319-N323 PolarHBondContact O-N 2.78Å; A320-N323 PolarHBondContact O-N 3.49Å
324	R	82.7	Confident	89.3	Confident	147 Å²	147	58.6 Å²	58.6	56%	0.555	29%	0.288	S	S	*	.			trans	-118.3	144	176.5	-65.4	-65.8	-171.2	-168.8	0.6	110.4	V322	V322-R324 HydrophobicContact CG1-CB 4.2Å; V322-R324 HydrophobicContact CG1-CG 3.79Å; V322-R324 PolarHBondContact O-N 3.16Å
325	K	88.9	Confident	88.9	Confident	187 Å²	187	64.7 Å²	64.7	81%	0.813	32%	0.316	S	S	*	.			trans	-64.8	134.3	172.6	-64.2	-173.3	179.4	-174.5	0	109.8
326	I	92.8	Very high	88.4	Confident	40 Å²	40	68.7 Å²	68.7	21%	0.205	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.4	169.1	-56.5	157.7	0	0	0	107.6	L242 L244 K319 V328	L242-I326 HydrophobicContact CB-CG1 4.46Å; L244-I326 HydrophobicContact CB-CG2 3.59Å; K319-I326 HydrophobicContact CB-CD1 4.02Å; K319-I326 HydrophobicContact CB-CG1 4.15Å; K319-I326 HydrophobicContact CD-CD1 4.09Å; K319-I326 HydrophobicContact CG-CD1 4.44Å; K319-I326 HydrophobicContact CG-CG1 4.49Å; I326-V328 HydrophobicContact CG2-CG1 4.49Å
327	T	93.1	Very high	88	Confident	39 Å²	39	65 Å²	65	24%	0.239	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.7	174.3	-48.2	0	0	0	0	108.9	L242 F243 L244 L355	L242-T327 PolarHBondContact O-N 3.3Å; L242-T327 PolarHBondContact O-OG1 2.96Å; F243-T327 VanDerWaalsContact CA-O 3.22Å; F243-T327 WeakPolarHBondContact CA-O 3.46Å; F243-T327 HydrophobicContact CD1-CG2 3.89Å; F243-T327 HydrophobicContact CE1-CG2 4.1Å; L244-T327 PolarHBondContact N-O 3.27Å; T327-L355 HydrophobicContact CG2-CD1 3.94Å
328	V	92.6	Very high	87.9	Confident	83 Å²	83	65.1 Å²	65.1	50%	0.503	34%	0.344	S	S	.	.			trans	-96.8	166.3	171	-66.5	0	0	0	0	109.8	L244 I326	L244-V328 HydrophobicContact CB-CG1 4.47Å; I326-V328 HydrophobicContact CG2-CG1 4.49Å
329	P	89.7	Confident	87.9	Confident	15 Å²	15	68.1 Å²	68.1	10%	0.097	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-57.1	149.6	167.8	-22.9	35.3	0	0	0	111.3	L245 P246 Q339 Y353	L245-P329 HydrophobicContact CD2-CG 4.13Å; P246-P329 HydrophobicContact CG-CG 4.43Å; P329-Q339 HydrophobicContact CB-CB 3.94Å; P329-Q339 HydrophobicContact CB-CG 4.46Å; P329-Q339 HydrophobicContact CG-CB 4.19Å; P329-Y353 HydrophobicContact CG-CD1 4.05Å
330	G	80.9	Confident	87.9	Confident	17 Å²	17	63.1 Å²	63.1	18%	0.175	34%	0.337	C	S	.	.			trans	-82.2	-162.3	174.1	0	0	0	0	0	112	F332	G330-F332 PolarHBondContact O-N 3.39Å
331	N	86.1	Confident	88.1	Confident	173 Å²	173	62.6 Å²	62.6	93%	0.925	33%	0.332	S	S	*	.	S	Bend	trans	-69.7	22.7	176.9	-54.8	7.1	0	0	0	113.7
332	F	90.2	Very high	88.3	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.026	33%	0.333	C	S	.	.			trans	-78.2	129.8	176.1	178.5	-95.8	0	0	0	110.3	G330 I341 P354 K413 F417	G330-F332 PolarHBondContact O-N 3.39Å; F332-I341 HydrophobicContact CE1-CD1 4.27Å; F332-I341 HydrophobicContact CE1-CG1 3.94Å; F332-I341 HydrophobicContact CZ-CD1 3.78Å; F332-I341 HydrophobicContact CZ-CG1 3.86Å; F332-P354 HydrophobicContact CB-CB 4.08Å; F332-P354 HydrophobicContact CB-CG 4.45Å; F332-P354 HydrophobicContact CD1-CB 4.22Å; F332-P354 HydrophobicContact CD1-CG 3.66Å; F332-P354 HydrophobicContact CD2-CB 4.08Å; F332-P354 HydrophobicContact CD2-CG 3.92Å; F332-P354 HydrophobicContact CE1-CG 3.84Å; F332-P354 HydrophobicContact CE2-CG 4.08Å; F332-P354 HydrophobicContact CG-CB 3.83Å; F332-P354 HydrophobicContact CG-CG 3.71Å; F332-P354 HydrophobicContact CZ-CG 4.05Å; F332-K413 HydrophobicContact CE2-CB 4.09Å; F332-K413 HydrophobicContact CZ-CB 4.24Å; F332-F417 HydrophobicContact CB-CD2 4.04Å; F332-F417 HydrophobicContact CB-CE2 4.09Å; F332-F417 HydrophobicContact CD2-CB 3.83Å; F332-F417 AromaticContact CD2-CD2 3.74Å; F332-F417 HydrophobicContact CD2-CD2 3.74Å; F332-F417 HydrophobicContact CD2-CE2 4.5Å; F332-F417 AromaticContact CD2-CG 3.84Å; F332-F417 HydrophobicContact CD2-CG 3.84Å; F332-F417 HydrophobicContact CE2-CB 4.11Å; F332-F417 HydrophobicContact CE2-CG 4.48Å; F332-F417 HydrophobicContact CG-CD2 4.32Å
333	Q	88.9	Confident	88.6	Confident	129 Å²	129	61.9 Å²	61.9	60%	0.603	33%	0.329	S	S	*	.			trans	-131.9	118.1	171.4	-65.4	179.2	-4.4	0	0	108.1
334	G	86.7	Confident	88.9	Confident	4 Å²	4	58.7 Å²	58.7	4%	0.041	31%	0.314	C	S	.	.			trans	-71.9	-179.9	169.6	0	0	0	0	0	111.6	S336 G337 A338	G334-S336 VanDerWaalsContact C-N 3.29Å; G334-S336 PolarHBondContact O-N 2.96Å; G334-G337 PolarHBondContact O-N 3.44Å; G334-A338 PolarHBondContact N-O 2.94Å
335	H	83.6	Confident	89.4	Confident	131 Å²	131	52.5 Å²	52.5	61%	0.606	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.6	-173.6	-179.1	77.8	0	0	0	113.7	G337 E409 E410	H335-G337 VanDerWaalsContact C-N 3.28Å; H335-G337 PolarHBondContact O-N 3.3Å; H335-E409 HydrophobicContact CB-CB 4.01Å; H335-E410 HydrophobicContact CB-CG 4.48Å
336	S	82.6	Confident	89.4	Confident	90 Å²	90	50.2 Å²	50.2	63%	0.629	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	8.9	-179.5	56.6	0	0	0	0	114.7	G334 A338	G334-S336 VanDerWaalsContact C-N 3.29Å; G334-S336 PolarHBondContact O-N 2.96Å; S336-A338 PolarHBondContact O-N 3.42Å
337	G	83.9	Confident	89.2	Confident	43 Å²	43	53.7 Å²	53.7	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	74.6	1.3	-169.8	0	0	0	0	0	114.3	G334 H335	G334-G337 PolarHBondContact O-N 3.44Å; H335-G337 VanDerWaalsContact C-N 3.28Å; H335-G337 PolarHBondContact O-N 3.3Å
338	A	89.3	Confident	89.1	Confident	6 Å²	6	53.2 Å²	53.2	5%	0.05	31%	0.314	C	S	.	.			trans	-65.7	144.7	173.6	0	0	0	0	0	111.9	K248 G334 S336 C340	K248-A338 HydrophobicContact CB-CB 4.42Å; G334-A338 PolarHBondContact N-O 2.94Å; S336-A338 PolarHBondContact O-N 3.42Å; A338-C340 PolarHBondContact O-N 3.37Å
339	Q	91.6	Very high	89.1	Confident	65 Å²	65	52.7 Å²	52.7	30%	0.304	31%	0.314	S	S	.	.	S	Bend	trans	-85.9	12.3	176.8	-65.8	178.9	-13	0	0	113	P329	P329-Q339 HydrophobicContact CB-CB 3.94Å; P329-Q339 HydrophobicContact CB-CG 4.46Å; P329-Q339 HydrophobicContact CG-CB 4.19Å
340	C	92.6	Very high	89.3	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	32%	0.315	C	S	.	.	S	Bend	trans	-148.8	158.5	-179.3	52.2	0	0	0	0	111.3	A338 L351 L352 Y353	A338-C340 PolarHBondContact O-N 3.37Å; C340-L351 HydrophobicContact CB-CB 4.4Å; C340-L352 CarbonylContact C-O 3.51Å; C340-L352 VanDerWaalsContact CA-O 3.23Å; C340-L352 WeakPolarHBondContact CA-O 3.39Å; C340-L352 VanDerWaalsContact CB-O 3.29Å; C340-L352 WeakPolarHBondContact CB-O 3.31Å; C340-Y353 HydrophobicContact CB-CD1 3.55Å; C340-Y353 HydrophobicContact CB-CD2 3.95Å; C340-Y353 HydrophobicContact CB-CE1 3.47Å; C340-Y353 VanDerWaalsContact CB-CE1 3.47Å; C340-Y353 HydrophobicContact CB-CE2 3.87Å; C340-Y353 HydrophobicContact CB-CG 3.77Å
341	I	92.9	Very high	89.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.6	-177.9	-66	176.3	0	0	0	108.2	F332 L351 L352 P354 I406 E410 L414	F332-I341 HydrophobicContact CE1-CD1 4.27Å; F332-I341 HydrophobicContact CE1-CG1 3.94Å; F332-I341 HydrophobicContact CZ-CD1 3.78Å; F332-I341 HydrophobicContact CZ-CG1 3.86Å; I341-L351 WeakPolarHBondContact O-CA 3.35Å; I341-L352 HydrophobicContact CB-CB 4.39Å; I341-L352 PolarHBondContact N-O 3.13Å; I341-L352 PolarHBondContact O-N 2.92Å; I341-P354 HydrophobicContact CD1-CG 4.37Å; I341-I406 HydrophobicContact CG2-CB 4.45Å; I341-I406 HydrophobicContact CG2-CD1 4.24Å; I341-I406 HydrophobicContact CG2-CG1 3.96Å; I341-I406 HydrophobicContact CG2-CG2 3.76Å; I341-E410 VanDerWaalsContact CA-OE2 3.28Å; I341-E410 WeakPolarHBondContact CA-OE2 3.45Å; I341-E410 HydrophobicContact CG1-CB 4.47Å; I341-E410 HydrophobicContact CG2-CB 4.39Å; I341-E410 VanDerWaalsContact CG2-OE2 3.31Å; I341-E410 WeakPolarHBondContact CG2-OE2 3.44Å; I341-L414 HydrophobicContact CD1-CB 3.73Å; I341-L414 HydrophobicContact CD1-CD1 3.81Å; I341-L414 HydrophobicContact CD1-CD2 3.8Å; I341-L414 HydrophobicContact CD1-CG 3.98Å
342	T	92.9	Very high	90.4	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.1	174.5	-50.2	0	0	0	0	109.3	K248 E410	K248-T342 PolarHBondContact NZ-OG1 3.19Å; T342-E410 PolarHBondContact N-OE2 3.41Å
343	C	92.2	Very high	90.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	169.4	-178	69.1	0	0	0	0	112.5	S349 G350 F403 I406	C343-S349 WeakPolarHBondContact O-CA 3.38Å; C343-G350 PolarHBondContact N-O 3.29Å; C343-G350 PolarHBondContact O-N 2.82Å; C343-F403 HydrophobicContact CB-CB 4.43Å; C343-I406 HydrophobicContact CB-CD1 4.39Å; C343-I406 HydrophobicContact CB-CG1 3.73Å
344	S	92.9	Very high	90.9	Very high	30 Å²	30	37.5 Å²	37.5	21%	0.21	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.4	169.8	-68.2	0	0	0	0	110.7	S348 S404	S344-S348 CarbonylContact C-O 3.47Å; S344-S348 WeakPolarHBondContact CA-O 3.47Å; S344-S404 WeakPolarHBondContact CB-OG 3.38Å; S344-S404 PolarHBondContact N-O 3.39Å; S344-S404 PolarHBondContact O-N 2.86Å; S344-S404 PolarHBondContact O-OG 3.46Å; S344-S404 VanDerWaalsContact O-OG 3.08Å
345	Y	93.1	Very high	91.3	Very high	16 Å²	16	37.4 Å²	37.4	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.2	171.2	-178.3	-110.3	0	0	0	110.2	S348 Y361 P365 V367 Y401 T402 F403	Y345-S348 PolarHBondContact N-O 3.02Å; Y345-S348 PolarHBondContact O-N 3.49Å; Y345-Y361 VanDerWaalsContact CB-CZ 3.48Å; Y345-Y361 HydrophobicContact CD1-CD1 4.1Å; Y345-Y361 HydrophobicContact CD1-CE1 4.02Å; Y345-Y361 HydrophobicContact CG-CD1 4.32Å; Y345-Y361 HydrophobicContact CG-CE1 4.21Å; Y345-P365 HydrophobicContact CD1-CG 4.06Å; Y345-P365 HydrophobicContact CE1-CG 3.79Å; Y345-V367 HydrophobicContact CD1-CG2 4.09Å; Y345-V367 HydrophobicContact CE1-CG2 3.52Å; Y345-Y401 HydrophobicContact CE2-CD1 4.12Å; Y345-Y401 AromaticContact CZ-CD1 3.9Å; Y345-Y401 VanDerWaalsContact OH-CD1 3.32Å; Y345-Y401 WeakPolarHBondContact OH-CD1 3.48Å; Y345-T402 WeakPolarHBondContact CD2-O 3.17Å; Y345-F403 AromaticContact CD2-CD1 3.81Å; Y345-F403 HydrophobicContact CD2-CD1 3.81Å; Y345-F403 AromaticContact CD2-CE1 3.64Å; Y345-F403 HydrophobicContact CD2-CE1 3.64Å; Y345-F403 HydrophobicContact CD2-CG 4.46Å; Y345-F403 HydrophobicContact CD2-CZ 4.19Å; Y345-F403 HydrophobicContact CE2-CE1 4.36Å; Y345-F403 HydrophobicContact CG-CD1 4.1Å; Y345-F403 AromaticContact CG-CE1 3.84Å; Y345-F403 HydrophobicContact CG-CE1 3.84Å
346	K	89.3	Confident	91.6	Very high	139 Å²	139	37.3 Å²	37.3	60%	0.604	23%	0.233	S	C	*	.	S	Bend	trans	50	-141.7	-163.6	-49.5	-60.3	-179.7	-174	0	109.2	S348	K346-S348 VanDerWaalsContact C-N 3.26Å; K346-S348 PolarHBondContact O-N 3.27Å; K346-S348 VanDerWaalsContact O-N 3.15Å
347	A	88.1	Confident	92	Very high	113 Å²	113	41.4 Å²	41.4	93%	0.934	24%	0.235	S	C	*	.	S	Bend	trans	-85.6	41.4	-179.2	0	0	0	0	0	114.2
348	S	91.4	Very high	92.4	Very high	29 Å²	29	39.3 Å²	39.3	20%	0.203	21%	0.214	C	C	.	.			trans	-148.2	138	175.4	-168.8	0	0	0	0	111.1	S344 Y345 K346 Y361 K364	S344-S348 CarbonylContact C-O 3.47Å; S344-S348 WeakPolarHBondContact CA-O 3.47Å; Y345-S348 PolarHBondContact N-O 3.02Å; Y345-S348 PolarHBondContact O-N 3.49Å; K346-S348 VanDerWaalsContact C-N 3.26Å; K346-S348 PolarHBondContact O-N 3.27Å; K346-S348 VanDerWaalsContact O-N 3.15Å; S348-Y361 PolarHBondContact O-OH 3.05Å; S348-K364 WeakPolarHBondContact CB-O 3.33Å
349	S	92.6	Very high	92.7	Very high	72 Å²	72	39.1 Å²	39.1	50%	0.503	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	155.3	161.7	-177.2	0	0	0	0	110.6	C343 Y361	C343-S349 WeakPolarHBondContact O-CA 3.38Å; S349-Y361 VanDerWaalsContact C-OH 3.28Å; S349-Y361 PolarHBondContact O-OH 2.87Å
350	G	93.5	Very high	92.9	Very high	11 Å²	11	36 Å²	36	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-160.8	-179.5	0	0	0	0	0	111.9	C343 Y361 V362	C343-G350 PolarHBondContact N-O 3.29Å; C343-G350 PolarHBondContact O-N 2.82Å; G350-Y361 WeakPolarHBondContact CA-OH 3.34Å; G350-Y361 PolarHBondContact N-OH 3.47Å; G350-V362 CarbonylContact C-O 3.46Å; G350-V362 VanDerWaalsContact CA-O 3.25Å; G350-V362 WeakPolarHBondContact CA-O 3.43Å
351	L	94.8	Very high	93.1	Very high	10 Å²	10	36 Å²	36	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.3	-177.3	-62.7	173.9	0	0	0	110.2	H247 K248 F254 C340 I341 Y353 Y361 V362	H247-L351 VanDerWaalsContact CD2-CD1 3.48Å; H247-L351 WeakPolarHBondContact CD2-CD1 3.45Å; K248-L351 HydrophobicContact CB-CD2 4.44Å; K248-L351 HydrophobicContact CD-CD2 3.79Å; K248-L351 HydrophobicContact CG-CD1 4.35Å; K248-L351 HydrophobicContact CG-CD2 4.03Å; F254-L351 HydrophobicContact CE2-CD1 4.01Å; F254-L351 HydrophobicContact CZ-CD1 4.37Å; C340-L351 HydrophobicContact CB-CB 4.4Å; I341-L351 WeakPolarHBondContact O-CA 3.35Å; L351-Y353 HydrophobicContact CB-CD2 4.43Å; L351-Y353 HydrophobicContact CB-CE2 3.66Å; L351-Y361 WeakPolarHBondContact O-CA 3.47Å; L351-V362 HydrophobicContact CB-CG2 4.23Å; L351-V362 PolarHBondContact N-O 3.03Å; L351-V362 PolarHBondContact O-N 2.94Å
352	L	95.6	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.4	175.5	179.5	67.7	0	0	0	109.5	C340 I341 F359 Y361 F391 F403	C340-L352 CarbonylContact C-O 3.51Å; C340-L352 VanDerWaalsContact CA-O 3.23Å; C340-L352 WeakPolarHBondContact CA-O 3.39Å; C340-L352 VanDerWaalsContact CB-O 3.29Å; C340-L352 WeakPolarHBondContact CB-O 3.31Å; I341-L352 HydrophobicContact CB-CB 4.39Å; I341-L352 PolarHBondContact N-O 3.13Å; I341-L352 PolarHBondContact O-N 2.92Å; L352-F359 HydrophobicContact CD1-CB 4.02Å; L352-F359 HydrophobicContact CD1-CD1 4.38Å; L352-F359 HydrophobicContact CG-CD1 4.49Å; L352-Y361 HydrophobicContact CB-CD2 4.44Å; L352-F391 HydrophobicContact CD2-CD1 4.03Å; L352-F391 HydrophobicContact CD2-CE1 4.34Å; L352-F403 HydrophobicContact CD1-CD1 4.25Å; L352-F403 HydrophobicContact CD1-CE1 4.02Å; L352-F403 HydrophobicContact CD1-CE2 4.36Å; L352-F403 HydrophobicContact CD1-CZ 4.07Å; L352-F403 HydrophobicContact CD2-CB 4.41Å; L352-F403 HydrophobicContact CD2-CD1 4.46Å; L352-F403 HydrophobicContact CD2-CD2 4.35Å; L352-F403 HydrophobicContact CD2-CG 4.14Å
353	Y	95.6	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.4	179	-66.2	-102.8	0	0	0	109.9	L245 P246 F254 P329 C340 L351 L355 F359 I360 V362	L245-Y353 HydrophobicContact CB-CD1 4.07Å; L245-Y353 HydrophobicContact CB-CE1 3.74Å; L245-Y353 HydrophobicContact CB-CE2 4.37Å; L245-Y353 HydrophobicContact CD1-CD2 4.01Å; L245-Y353 HydrophobicContact CD1-CE2 4.23Å; L245-Y353 HydrophobicContact CD1-CG 4.22Å; L245-Y353 HydrophobicContact CD2-CD1 4.14Å; L245-Y353 HydrophobicContact CD2-CG 4.26Å; L245-Y353 HydrophobicContact CG-CD1 4.48Å; P246-Y353 WeakPolarHBondContact O-CE1 3.36Å; P246-Y353 PolarHBondContact O-OH 2.83Å; P246-Y353 VanDerWaalsContact O-OH 3.05Å; F254-Y353 WeakPolarHBondContact CE2-OH 3.43Å; P329-Y353 HydrophobicContact CG-CD1 4.05Å; C340-Y353 HydrophobicContact CB-CD1 3.55Å; C340-Y353 HydrophobicContact CB-CD2 3.95Å; C340-Y353 HydrophobicContact CB-CE1 3.47Å; C340-Y353 VanDerWaalsContact CB-CE1 3.47Å; C340-Y353 HydrophobicContact CB-CE2 3.87Å; C340-Y353 HydrophobicContact CB-CG 3.77Å; L351-Y353 HydrophobicContact CB-CD2 4.43Å; L351-Y353 HydrophobicContact CB-CE2 3.66Å; Y353-L355 PolarHBondContact O-N 2.84Å; Y353-F359 WeakPolarHBondContact O-CA 3.03Å; Y353-I360 HydrophobicContact CD2-CG2 4.45Å; Y353-I360 HydrophobicContact CG-CG2 4.4Å; Y353-I360 PolarHBondContact N-O 3.08Å; Y353-I360 PolarHBondContact O-N 3.17Å; Y353-V362 HydrophobicContact CD2-CG2 4.39Å; Y353-V362 HydrophobicContact CE2-CG2 3.73Å
354	P	94.7	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	109.9	166	-18.1	33.9	0	0	0	110.3	F332 I341 F359 F417	F332-P354 HydrophobicContact CB-CB 4.08Å; F332-P354 HydrophobicContact CB-CG 4.45Å; F332-P354 HydrophobicContact CD1-CB 4.22Å; F332-P354 HydrophobicContact CD1-CG 3.66Å; F332-P354 HydrophobicContact CD2-CB 4.08Å; F332-P354 HydrophobicContact CD2-CG 3.92Å; F332-P354 HydrophobicContact CE1-CG 3.84Å; F332-P354 HydrophobicContact CE2-CG 4.08Å; F332-P354 HydrophobicContact CG-CB 3.83Å; F332-P354 HydrophobicContact CG-CG 3.71Å; F332-P354 HydrophobicContact CZ-CG 4.05Å; I341-P354 HydrophobicContact CD1-CG 4.37Å; P354-F359 HydrophobicContact CB-CD1 4.15Å; P354-F359 HydrophobicContact CB-CE1 3.91Å; P354-F359 HydrophobicContact CG-CD1 4.34Å; P354-F359 HydrophobicContact CG-CE1 4.15Å; P354-F417 HydrophobicContact CB-CD1 3.87Å; P354-F417 HydrophobicContact CB-CD2 4.36Å; P354-F417 HydrophobicContact CB-CE1 3.51Å; P354-F417 HydrophobicContact CB-CE2 4.01Å; P354-F417 HydrophobicContact CB-CG 4.28Å; P354-F417 HydrophobicContact CB-CZ 3.57Å
355	L	93.9	Very high	92.6	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	167.2	179.1	-51.1	-179.7	0	0	0	110.7	F243 L245 T327 Y353 R357 G358 I360 F371 F417	F243-L355 HydrophobicContact CD1-CD1 3.7Å; F243-L355 HydrophobicContact CE1-CD1 3.6Å; L245-L355 HydrophobicContact CD2-CD2 3.94Å; T327-L355 HydrophobicContact CG2-CD1 3.94Å; Y353-L355 PolarHBondContact O-N 2.84Å; L355-R357 PolarHBondContact O-N 3.36Å; L355-G358 CarbonylContact C-O 3.59Å; L355-G358 WeakPolarHBondContact CA-O 3.4Å; L355-G358 VanDerWaalsContact CB-O 3.28Å; L355-G358 WeakPolarHBondContact CB-O 3.13Å; L355-G358 PolarHBondContact N-O 3.38Å; L355-I360 HydrophobicContact CD1-CB 4.1Å; L355-I360 HydrophobicContact CD1-CG2 3.66Å; L355-I360 HydrophobicContact CD2-CG2 4.03Å; L355-I360 HydrophobicContact CG-CG2 3.97Å; L355-F371 VanDerWaalsContact O-CZ 3.3Å; L355-F371 WeakPolarHBondContact O-CZ 3.49Å; L355-F417 WeakPolarHBondContact O-CZ 3.38Å
356	E	91.1	Very high	92.6	Very high	128 Å²	128	45.5 Å²	45.5	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.9	-179	-160	-151.8	153.1	0	0	114.1	F371 K421	E356-F371 WeakPolarHBondContact O-CE2 3.37Å; E356-K421 WeakPolarHBondContact O-CE 3.34Å; E356-K421 PolarHBondContact O-NZ 3.44Å
357	R	90.1	Very high	92.8	Very high	176 Å²	176	39.7 Å²	39.7	66%	0.664	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.5	15.1	-173.1	-62.9	-173	62.6	154.2	0.6	114.6	L355 F371	L355-R357 PolarHBondContact O-N 3.36Å; R357-F371 VanDerWaalsContact C-CD2 3.42Å; R357-F371 PolarHBondContact O-N 2.93Å
358	G	93.3	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-176.5	-176.8	0	0	0	0	0	113.1	L355 I369 F371	L355-G358 CarbonylContact C-O 3.59Å; L355-G358 WeakPolarHBondContact CA-O 3.4Å; L355-G358 VanDerWaalsContact CB-O 3.28Å; L355-G358 WeakPolarHBondContact CB-O 3.13Å; L355-G358 PolarHBondContact N-O 3.38Å; G358-I369 CarbonylContact C-O 3.55Å; G358-I369 WeakPolarHBondContact CA-O 3.47Å; G358-F371 VanDerWaalsContact N-CZ 3.29Å; G358-F371 WeakPolarHBondContact O-CE1 3.38Å; G358-F371 WeakPolarHBondContact O-CZ 3.21Å
359	F	95.2	Very high	93.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.8	166.1	-64.9	-79.5	0	0	0	109.3	L352 Y353 P354 H368 I369 F371 I374 F391 I393 L414 F417 V418 L423	L352-F359 HydrophobicContact CD1-CB 4.02Å; L352-F359 HydrophobicContact CD1-CD1 4.38Å; L352-F359 HydrophobicContact CG-CD1 4.49Å; Y353-F359 WeakPolarHBondContact O-CA 3.03Å; P354-F359 HydrophobicContact CB-CD1 4.15Å; P354-F359 HydrophobicContact CB-CE1 3.91Å; P354-F359 HydrophobicContact CG-CD1 4.34Å; P354-F359 HydrophobicContact CG-CE1 4.15Å; F359-H368 CarbonylContact O-C 3.48Å; F359-H368 VanDerWaalsContact O-CA 3.32Å; F359-H368 WeakPolarHBondContact O-CA 3.46Å; F359-I369 PolarHBondContact N-O 2.8Å; F359-I369 PolarHBondContact O-N 2.82Å; F359-F371 HydrophobicContact CD2-CD1 4.41Å; F359-F371 AromaticContact CD2-CE1 3.77Å; F359-F371 HydrophobicContact CD2-CE1 3.77Å; F359-F371 HydrophobicContact CE2-CD1 4.29Å; F359-F371 AromaticContact CE2-CE1 3.6Å; F359-F371 HydrophobicContact CE2-CE1 3.6Å; F359-F371 HydrophobicContact CG-CE1 4.42Å; F359-F371 HydrophobicContact CZ-CE1 4.11Å; F359-I374 HydrophobicContact CD2-CD1 4.18Å; F359-I374 HydrophobicContact CE2-CD1 4.04Å; F359-F391 HydrophobicContact CE1-CE1 4.06Å; F359-F391 HydrophobicContact CE1-CZ 4.37Å; F359-F391 HydrophobicContact CE2-CE1 4.15Å; F359-F391 HydrophobicContact CE2-CZ 4.02Å; F359-F391 AromaticContact CZ-CE1 3.84Å; F359-F391 HydrophobicContact CZ-CE1 3.84Å; F359-F391 AromaticContact CZ-CZ 3.73Å; F359-F391 HydrophobicContact CZ-CZ 3.73Å; F359-I393 HydrophobicContact CD2-CD1 3.45Å; F359-I393 VanDerWaalsContact CD2-CD1 3.45Å; F359-I393 HydrophobicContact CE2-CD1 3.76Å; F359-I393 HydrophobicContact CG-CD1 4.14Å; F359-L414 HydrophobicContact CE1-CD1 4.06Å; F359-L414 HydrophobicContact CZ-CD1 4.45Å; F359-F417 HydrophobicContact CE1-CD1 4.43Å; F359-F417 HydrophobicContact CE1-CE1 4.12Å; F359-F417 HydrophobicContact CZ-CD1 4.48Å; F359-F417 HydrophobicContact CZ-CE1 4.22Å; F359-V418 HydrophobicContact CZ-CG2 4.31Å; F359-L423 HydrophobicContact CE2-CD1 3.99Å; F359-L423 HydrophobicContact CZ-CD1 4.31Å
360	I	96.2	Very high	93.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.8	165.7	-170.1	166.3	0	0	0	110.5	F243 L245 V256 Y353 L355 V367 H368	F243-I360 HydrophobicContact CD1-CD1 3.99Å; F243-I360 HydrophobicContact CD2-CD1 3.86Å; F243-I360 HydrophobicContact CE1-CD1 4.1Å; F243-I360 HydrophobicContact CE2-CD1 3.96Å; F243-I360 HydrophobicContact CG-CD1 3.89Å; F243-I360 HydrophobicContact CZ-CD1 4.08Å; L245-I360 HydrophobicContact CD1-CD1 4.43Å; L245-I360 HydrophobicContact CD1-CG2 3.65Å; L245-I360 HydrophobicContact CD2-CG2 4.18Å; V256-I360 HydrophobicContact CB-CD1 4.39Å; V256-I360 HydrophobicContact CG1-CD1 4.2Å; Y353-I360 HydrophobicContact CD2-CG2 4.45Å; Y353-I360 HydrophobicContact CG-CG2 4.4Å; Y353-I360 PolarHBondContact N-O 3.08Å; Y353-I360 PolarHBondContact O-N 3.17Å; L355-I360 HydrophobicContact CD1-CB 4.1Å; L355-I360 HydrophobicContact CD1-CG2 3.66Å; L355-I360 HydrophobicContact CD2-CG2 4.03Å; L355-I360 HydrophobicContact CG-CG2 3.97Å; I360-V367 CarbonylContact C-O 3.54Å; I360-V367 WeakPolarHBondContact CA-O 3.33Å; I360-H368 HydrophobicContact CB-CB 4.4Å; I360-H368 HydrophobicContact CD1-CB 4.27Å; I360-H368 HydrophobicContact CG1-CB 4.11Å
361	Y	96.3	Very high	93.2	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.1	175.2	171.4	-95	0	0	0	110.2	Y345 S348 S349 G350 L351 L352 P365 P366 V367 F403	Y345-Y361 VanDerWaalsContact CB-CZ 3.48Å; Y345-Y361 HydrophobicContact CD1-CD1 4.1Å; Y345-Y361 HydrophobicContact CD1-CE1 4.02Å; Y345-Y361 HydrophobicContact CG-CD1 4.32Å; Y345-Y361 HydrophobicContact CG-CE1 4.21Å; S348-Y361 PolarHBondContact O-OH 3.05Å; S349-Y361 VanDerWaalsContact C-OH 3.28Å; S349-Y361 PolarHBondContact O-OH 2.87Å; G350-Y361 WeakPolarHBondContact CA-OH 3.34Å; G350-Y361 PolarHBondContact N-OH 3.47Å; L351-Y361 WeakPolarHBondContact O-CA 3.47Å; L352-Y361 HydrophobicContact CB-CD2 4.44Å; Y361-P365 VanDerWaalsContact CD1-O 3.31Å; Y361-P365 WeakPolarHBondContact CD1-O 3.44Å; Y361-P365 WeakPolarHBondContact CE1-O 3.33Å; Y361-P366 WeakPolarHBondContact O-CA 3.4Å; Y361-V367 PolarHBondContact N-O 3.35Å; Y361-V367 PolarHBondContact O-N 3.11Å; Y361-F403 HydrophobicContact CD2-CD1 4.15Å; Y361-F403 HydrophobicContact CD2-CE1 4.01Å; Y361-F403 HydrophobicContact CG-CD1 4.41Å; Y361-F403 AromaticContact CG-CE1 3.81Å; Y361-F403 HydrophobicContact CG-CE1 3.81Å
362	V	94.3	Very high	93.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.3	177.5	-62.6	0	0	0	0	111.2	L245 F254 V256 G350 L351 Y353	L245-V362 HydrophobicContact CD1-CG1 4.34Å; F254-V362 HydrophobicContact CD1-CG2 4.37Å; F254-V362 HydrophobicContact CD2-CG2 4.14Å; F254-V362 HydrophobicContact CE1-CG2 4.08Å; F254-V362 HydrophobicContact CE2-CG2 3.84Å; F254-V362 HydrophobicContact CG-CG2 4.38Å; F254-V362 HydrophobicContact CZ-CG2 3.8Å; V256-V362 HydrophobicContact CG2-CG1 4.07Å; G350-V362 CarbonylContact C-O 3.46Å; G350-V362 VanDerWaalsContact CA-O 3.25Å; G350-V362 WeakPolarHBondContact CA-O 3.43Å; L351-V362 HydrophobicContact CB-CG2 4.23Å; L351-V362 PolarHBondContact N-O 3.03Å; L351-V362 PolarHBondContact O-N 2.94Å; Y353-V362 HydrophobicContact CD2-CG2 4.39Å; Y353-V362 HydrophobicContact CE2-CG2 3.73Å
363	H	84.6	Confident	92.9	Very high	52 Å²	52	40 Å²	40	24%	0.241	19%	0.187	C	C	.	.	S	Bend	cis	-122.7	-0.5	8	72.8	-83.2	0	0	0	114.2	L208 I274	L208-H363 HydrophobicContact CB-CB 4.4Å; L208-H363 HydrophobicContact CD1-CB 3.9Å; I274-H363 HydrophobicContact CD1-CB 3.87Å
364	K	89.9	Confident	92.8	Very high	130 Å²	130	40.4 Å²	40.4	57%	0.565	19%	0.188	S	C	*	.	S	Bend	trans	-146.4	114.2	-170.2	-169	-171.3	177	-163.8	0	113.7	S348	S348-K364 WeakPolarHBondContact CB-O 3.33Å
365	P	90.8	Very high	92.8	Very high	63 Å²	63	42.4 Å²	42.4	41%	0.409	20%	0.202	S	C	.	.	S	Bend	cis	-62	152.3	-27.4	32.3	-36.4	0	0	0	109.9	Y345 Y361 V367	Y345-P365 HydrophobicContact CD1-CG 4.06Å; Y345-P365 HydrophobicContact CE1-CG 3.79Å; Y361-P365 VanDerWaalsContact CD1-O 3.31Å; Y361-P365 WeakPolarHBondContact CD1-O 3.44Å; Y361-P365 WeakPolarHBondContact CE1-O 3.33Å; P365-V367 HydrophobicContact CG-CG2 4.44Å
366	P	93.2	Very high	92.8	Very high	24 Å²	24	44 Å²	44	16%	0.156	21%	0.209	C	C	.	.			trans	-64.5	139.7	165.8	25	-29.8	0	0	0	110.7	T209 F272 I274 Y361	T209-P366 HydrophobicContact CG2-CG 4.44Å; F272-P366 HydrophobicContact CB-CB 3.96Å; F272-P366 HydrophobicContact CB-CG 3.79Å; F272-P366 HydrophobicContact CD2-CB 3.84Å; F272-P366 HydrophobicContact CD2-CG 3.78Å; F272-P366 HydrophobicContact CG-CB 3.98Å; F272-P366 HydrophobicContact CG-CG 4.09Å; I274-P366 HydrophobicContact CD1-CB 3.86Å; I274-P366 HydrophobicContact CD1-CG 4.03Å; Y361-P366 WeakPolarHBondContact O-CA 3.4Å
367	V	93.9	Very high	92.9	Very high	17 Å²	17	37.9 Å²	37.9	10%	0.103	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.5	177	176.2	0	0	0	0	108.4	Y345 I360 Y361 P365 I369 Y401	Y345-V367 HydrophobicContact CD1-CG2 4.09Å; Y345-V367 HydrophobicContact CE1-CG2 3.52Å; I360-V367 CarbonylContact C-O 3.54Å; I360-V367 WeakPolarHBondContact CA-O 3.33Å; Y361-V367 PolarHBondContact N-O 3.35Å; Y361-V367 PolarHBondContact O-N 3.11Å; P365-V367 HydrophobicContact CG-CG2 4.44Å; V367-I369 HydrophobicContact CG1-CD1 3.96Å; V367-I369 HydrophobicContact CG1-CG1 3.81Å; V367-Y401 HydrophobicContact CG1-CD1 3.72Å; V367-Y401 HydrophobicContact CG1-CE1 3.53Å; V367-Y401 HydrophobicContact CG2-CE1 4.45Å
368	H	94.8	Very high	93	Very high	33 Å²	33	30.4 Å²	30.4	15%	0.153	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.6	171.2	162.4	-85.4	0	0	0	109	F243 F272 F359 I360	F243-H368 AromaticContact CE1-CD2 3.48Å; F243-H368 VanDerWaalsContact CE1-CD2 3.48Å; F243-H368 WeakPolarHBondContact CE1-CD2 3.38Å; F243-H368 AromaticContact CE1-NE2 3.7Å; F243-H368 AromaticContact CZ-CD2 3.3Å; F243-H368 WeakPolarHBondContact CZ-CD2 3.33Å; F243-H368 AromaticContact CZ-CG 3.93Å; F243-H368 AromaticContact CZ-NE2 3.54Å; F272-H368 HydrophobicContact CE1-CB 3.93Å; F272-H368 HydrophobicContact CZ-CB 3.85Å; F359-H368 CarbonylContact O-C 3.48Å; F359-H368 VanDerWaalsContact O-CA 3.32Å; F359-H368 WeakPolarHBondContact O-CA 3.46Å; I360-H368 HydrophobicContact CB-CB 4.4Å; I360-H368 HydrophobicContact CD1-CB 4.27Å; I360-H368 HydrophobicContact CG1-CB 4.11Å
369	I	94.3	Very high	92.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.6	-176.5	-56	158	0	0	0	107.6	G358 F359 V367 I374 I393 T395 Y401 F403	G358-I369 CarbonylContact C-O 3.55Å; G358-I369 WeakPolarHBondContact CA-O 3.47Å; F359-I369 PolarHBondContact N-O 2.8Å; F359-I369 PolarHBondContact O-N 2.82Å; V367-I369 HydrophobicContact CG1-CD1 3.96Å; V367-I369 HydrophobicContact CG1-CG1 3.81Å; I369-I374 HydrophobicContact CG2-CD1 4.34Å; I369-I374 HydrophobicContact CG2-CG1 3.89Å; I369-I393 HydrophobicContact CD1-CB 4.47Å; I369-I393 HydrophobicContact CD1-CD1 4.02Å; I369-I393 HydrophobicContact CG2-CG2 4.25Å; I369-T395 HydrophobicContact CG2-CG2 4.23Å; I369-Y401 HydrophobicContact CD1-CD1 3.93Å; I369-Y401 HydrophobicContact CD1-CD2 3.66Å; I369-Y401 HydrophobicContact CD1-CE1 4.37Å; I369-Y401 HydrophobicContact CD1-CE2 4.11Å; I369-Y401 HydrophobicContact CD1-CG 3.55Å; I369-Y401 HydrophobicContact CG1-CD2 4.22Å; I369-Y401 HydrophobicContact CG1-CE1 4.49Å; I369-Y401 HydrophobicContact CG1-CE2 4.17Å; I369-Y401 HydrophobicContact CG1-CG 4.4Å; I369-F403 HydrophobicContact CD1-CE2 4.22Å; I369-F403 HydrophobicContact CD1-CZ 4.29Å
370	R	92.9	Very high	92.5	Very high	43 Å²	43	32.7 Å²	32.7	16%	0.162	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149.9	177.2	-61.5	179.2	-80.7	163.5	-13.5	111.9	D372 E373 I374	R370-D372 VanDerWaalsContact CB-OD1 3.23Å; R370-D372 WeakPolarHBondContact CB-OD1 3.43Å; R370-D372 IonicContact CZ-OD2 2.72Å; R370-D372 IonicContact NE-OD2 3.74Å; R370-D372 IonicContact NH1-OD2 2.67Å; R370-D372 PolarHBondContact NH1-OD2 2.97Å; R370-D372 PolarHBondContact O-N 2.86Å; R370-E373 HydrophobicContact CB-CG 4.12Å; R370-E373 IonicContact CZ-OE1 3.44Å; R370-E373 PolarHBondContact N-OE2 2.89Å; R370-E373 VanDerWaalsContact NE-CD 3.31Å; R370-E373 IonicContact NE-OE1 3.64Å; R370-E373 PolarHBondContact NE-OE1 3.17Å; R370-E373 IonicContact NE-OE2 3.76Å; R370-E373 IonicContact NH2-OE1 2.76Å; R370-E373 PolarHBondContact NH2-OE1 2.9Å; R370-E373 WeakPolarHBondContact O-CB 3.35Å; R370-E373 PolarHBondContact O-N 2.82Å; R370-I374 PolarHBondContact O-N 3.44Å
371	F	92.8	Very high	91.7	Very high	33 Å²	33	42.7 Å²	42.7	15%	0.145	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.2	174.9	-59.3	-21.6	0	0	0	113.1	L355 E356 R357 G358 F359 E373 I374 F417 K421 L423	L355-F371 VanDerWaalsContact O-CZ 3.3Å; L355-F371 WeakPolarHBondContact O-CZ 3.49Å; E356-F371 WeakPolarHBondContact O-CE2 3.37Å; R357-F371 VanDerWaalsContact C-CD2 3.42Å; R357-F371 PolarHBondContact O-N 2.93Å; G358-F371 VanDerWaalsContact N-CZ 3.29Å; G358-F371 WeakPolarHBondContact O-CE1 3.38Å; G358-F371 WeakPolarHBondContact O-CZ 3.21Å; F359-F371 HydrophobicContact CD2-CD1 4.41Å; F359-F371 AromaticContact CD2-CE1 3.77Å; F359-F371 HydrophobicContact CD2-CE1 3.77Å; F359-F371 HydrophobicContact CE2-CD1 4.29Å; F359-F371 AromaticContact CE2-CE1 3.6Å; F359-F371 HydrophobicContact CE2-CE1 3.6Å; F359-F371 HydrophobicContact CG-CE1 4.42Å; F359-F371 HydrophobicContact CZ-CE1 4.11Å; F371-E373 VanDerWaalsContact C-N 3.25Å; F371-E373 PolarHBondContact O-N 2.83Å; F371-I374 HydrophobicContact CD1-CD1 3.91Å; F371-I374 PolarHBondContact O-N 2.92Å; F371-F417 AromaticContact CZ-CE1 3.83Å; F371-F417 HydrophobicContact CZ-CE1 3.83Å; F371-F417 HydrophobicContact CZ-CZ 4Å; F371-K421 HydrophobicContact CD2-CD 4.36Å; F371-K421 HydrophobicContact CE2-CB 4.17Å; F371-K421 HydrophobicContact CE2-CD 3.74Å; F371-K421 HydrophobicContact CE2-CG 3.77Å; F371-K421 HydrophobicContact CZ-CG 4.2Å; F371-L423 HydrophobicContact CB-CD2 4.1Å; F371-L423 HydrophobicContact CD1-CD1 4.14Å; F371-L423 HydrophobicContact CD1-CD2 4.19Å; F371-L423 HydrophobicContact CE1-CD1 4.2Å; F371-L423 HydrophobicContact CG-CD2 4.16Å
372	D	91.6	Very high	90.3	Very high	81 Å²	81	43.1 Å²	43.1	43%	0.433	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.2	172.1	49.8	-67.1	0	0	0	113.7	R370 K396	R370-D372 VanDerWaalsContact CB-OD1 3.23Å; R370-D372 WeakPolarHBondContact CB-OD1 3.43Å; R370-D372 IonicContact CZ-OD2 2.72Å; R370-D372 IonicContact NE-OD2 3.74Å; R370-D372 IonicContact NH1-OD2 2.67Å; R370-D372 PolarHBondContact NH1-OD2 2.97Å; R370-D372 PolarHBondContact O-N 2.86Å; D372-K396 PolarHBondContact O-NZ 2.94Å
373	E	91.9	Very high	88.9	Confident	52 Å²	52	50.3 Å²	50.3	24%	0.243	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-22.9	176.8	-64	162.1	169	0	0	113	R370 F371 T395 K396	R370-E373 HydrophobicContact CB-CG 4.12Å; R370-E373 IonicContact CZ-OE1 3.44Å; R370-E373 PolarHBondContact N-OE2 2.89Å; R370-E373 VanDerWaalsContact NE-CD 3.31Å; R370-E373 IonicContact NE-OE1 3.64Å; R370-E373 PolarHBondContact NE-OE1 3.17Å; R370-E373 IonicContact NE-OE2 3.76Å; R370-E373 IonicContact NH2-OE1 2.76Å; R370-E373 PolarHBondContact NH2-OE1 2.9Å; R370-E373 WeakPolarHBondContact O-CB 3.35Å; R370-E373 PolarHBondContact O-N 2.82Å; F371-E373 VanDerWaalsContact C-N 3.25Å; F371-E373 PolarHBondContact O-N 2.83Å; E373-T395 HydrophobicContact CB-CG2 4.49Å; E373-T395 CarbonylContact O-C 3.59Å; E373-T395 WeakPolarHBondContact O-CA 3.38Å; E373-T395 WeakPolarHBondContact O-CB 3.39Å; E373-K396 PolarHBondContact O-N 3.2Å
374	I	93.9	Very high	87.8	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.9	-176.7	-60.4	-179.9	0	0	0	110.8	F359 I369 R370 F371 V377 I393 K396 L423	F359-I374 HydrophobicContact CD2-CD1 4.18Å; F359-I374 HydrophobicContact CE2-CD1 4.04Å; I369-I374 HydrophobicContact CG2-CD1 4.34Å; I369-I374 HydrophobicContact CG2-CG1 3.89Å; R370-I374 PolarHBondContact O-N 3.44Å; F371-I374 HydrophobicContact CD1-CD1 3.91Å; F371-I374 PolarHBondContact O-N 2.92Å; I374-V377 HydrophobicContact CG2-CG1 4.05Å; I374-I393 HydrophobicContact CB-CG2 4.36Å; I374-I393 HydrophobicContact CD1-CG2 3.69Å; I374-I393 HydrophobicContact CG1-CG2 3.58Å; I374-I393 HydrophobicContact CG2-CG2 4.03Å; I374-K396 WeakPolarHBondContact O-CE 3.26Å; I374-K396 PolarHBondContact O-NZ 2.88Å; I374-L423 HydrophobicContact CB-CD2 4.5Å; I374-L423 HydrophobicContact CD1-CD1 4.06Å; I374-L423 HydrophobicContact CD1-CD2 4.21Å
375	S	93.8	Very high	86.2	Confident	42 Å²	42	52.3 Å²	52.3	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-57.3	169.5	-175.3	0	0	0	0	109.8	E394 N424	S375-E394 WeakPolarHBondContact CB-O 3.41Å; S375-E394 PolarHBondContact N-O 2.89Å; S375-N424 PolarHBondContact O-ND2 2.75Å
376	F	93.1	Very high	84.7	Confident	36 Å²	36	53.5 Å²	53.5	16%	0.158	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	169.2	170.6	60	-97.4	0	0	0	110.1	E394 N424 K426	F376-E394 HydrophobicContact CD2-CB 4.31Å; F376-E394 HydrophobicContact CE1-CB 4.19Å; F376-E394 HydrophobicContact CE1-CG 4.38Å; F376-E394 WeakPolarHBondContact CE1-OE1 3.45Å; F376-E394 HydrophobicContact CE2-CB 3.84Å; F376-E394 HydrophobicContact CZ-CB 3.79Å; F376-E394 HydrophobicContact CZ-CG 4.13Å; F376-E394 WeakPolarHBondContact CZ-OE1 3.23Å; F376-E394 WeakPolarHBondContact CZ-OE2 3.44Å; F376-E394 PolarHBondContact O-N 2.94Å; F376-N424 CarbonylContact C-O 3.49Å; F376-N424 WeakPolarHBondContact CA-O 3.39Å; F376-N424 HydrophobicContact CB-CB 3.85Å; F376-N424 WeakPolarHBondContact CB-O 3.21Å; F376-K426 HydrophobicContact CD2-CB 3.79Å; F376-K426 HydrophobicContact CD2-CD 3.86Å; F376-K426 HydrophobicContact CD2-CG 4.45Å; F376-K426 HydrophobicContact CE1-CD 4.29Å; F376-K426 HydrophobicContact CE2-CB 4.16Å; F376-K426 HydrophobicContact CE2-CD 3.38Å; F376-K426 HydrophobicContact CE2-CG 4.41Å; F376-K426 HydrophobicContact CG-CB 4.34Å; F376-K426 HydrophobicContact CZ-CD 3.62Å
377	V	94.6	Very high	83.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.9	165.8	-54.5	0	0	0	0	110.4	I374 F379 F391 E392 I393 V418 L423 N424 I425 K426	I374-V377 HydrophobicContact CG2-CG1 4.05Å; V377-F379 HydrophobicContact CG2-CE2 4.36Å; V377-F391 HydrophobicContact CB-CE2 3.71Å; V377-F391 HydrophobicContact CB-CZ 4.3Å; V377-F391 HydrophobicContact CG1-CE2 3.99Å; V377-F391 HydrophobicContact CG1-CZ 4.05Å; V377-F391 HydrophobicContact CG2-CE2 3.96Å; V377-E392 CarbonylContact C-O 3.53Å; V377-E392 WeakPolarHBondContact CA-O 3.5Å; V377-E392 WeakPolarHBondContact CB-O 3.44Å; V377-I393 HydrophobicContact CG1-CB 4.47Å; V377-I393 HydrophobicContact CG1-CG1 4.08Å; V377-I393 HydrophobicContact CG1-CG2 4.31Å; V377-V418 HydrophobicContact CG2-CG1 3.56Å; V377-L423 HydrophobicContact CG1-CD1 4.39Å; V377-N424 PolarHBondContact N-O 3.43Å; V377-I425 HydrophobicContact CG2-CG1 3.94Å; V377-I425 WeakPolarHBondContact O-CA 3.23Å; V377-K426 PolarHBondContact O-N 2.79Å
378	N	92.6	Very high	83	Confident	20 Å²	20	61.7 Å²	61.7	11%	0.107	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.3	175.7	-175.9	35.1	0	0	0	110.1	E392 N427	N378-E392 HydrophobicContact CB-CB 4.08Å; N378-E392 HydrophobicContact CB-CG 4.29Å; N378-E392 PolarHBondContact N-O 3.47Å; N378-E392 PolarHBondContact ND2-OE2 2.88Å; N378-E392 PolarHBondContact O-N 2.81Å; N378-N427 PolarHBondContact OD1-ND2 3.42Å; N378-N427 PolarHBondContact OD1-OD1 3.06Å
379	F	90.4	Very high	82.7	Confident	18 Å²	18	62 Å²	62	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.6	174.1	-71.7	-71	0	0	0	107.9	V377 F391 Y411 L414 F415 V418 I425 N427	V377-F379 HydrophobicContact CG2-CE2 4.36Å; F379-F391 HydrophobicContact CD1-CB 4.44Å; F379-F391 AromaticContact CD1-CD2 3.74Å; F379-F391 HydrophobicContact CD1-CD2 3.74Å; F379-F391 HydrophobicContact CE1-CB 4.36Å; F379-F391 AromaticContact CE1-CD2 3.28Å; F379-F391 HydrophobicContact CE1-CD2 3.28Å; F379-F391 AromaticContact CE1-CE2 3.77Å; F379-F391 HydrophobicContact CE1-CE2 3.77Å; F379-F391 HydrophobicContact CE1-CG 4.11Å; F379-F391 HydrophobicContact CE2-CE2 4.44Å; F379-F391 AromaticContact CZ-CD2 3.75Å; F379-F391 HydrophobicContact CZ-CD2 3.75Å; F379-F391 AromaticContact CZ-CE2 3.73Å; F379-F391 HydrophobicContact CZ-CE2 3.73Å; F379-Y411 HydrophobicContact CB-CE2 3.9Å; F379-Y411 HydrophobicContact CD1-CD2 4.02Å; F379-Y411 AromaticContact CD1-CE2 3.35Å; F379-Y411 HydrophobicContact CD1-CE2 3.35Å; F379-Y411 HydrophobicContact CE1-CD2 4.32Å; F379-Y411 AromaticContact CE1-CE2 3.93Å; F379-Y411 HydrophobicContact CE1-CE2 3.93Å; F379-Y411 AromaticContact CG-CE2 3.72Å; F379-Y411 HydrophobicContact CG-CE2 3.72Å; F379-L414 HydrophobicContact CE1-CD2 4.07Å; F379-L414 HydrophobicContact CE1-CG 4.22Å; F379-L414 HydrophobicContact CZ-CG 4.38Å; F379-F415 HydrophobicContact CD2-CD2 4.13Å; F379-F415 AromaticContact CE2-CD2 3.75Å; F379-F415 HydrophobicContact CE2-CD2 3.75Å; F379-F415 HydrophobicContact CE2-CE2 4.48Å; F379-F415 HydrophobicContact CZ-CB 4.47Å; F379-F415 HydrophobicContact CZ-CD2 4.33Å; F379-V418 HydrophobicContact CE2-CG1 4.35Å; F379-V418 HydrophobicContact CZ-CB 4.49Å; F379-V418 HydrophobicContact CZ-CG2 4.2Å; F379-I425 HydrophobicContact CD2-CG2 3.99Å; F379-I425 HydrophobicContact CE2-CD1 4.13Å; F379-I425 HydrophobicContact CE2-CG1 4.4Å; F379-I425 HydrophobicContact CE2-CG2 4.36Å; F379-N427 PolarHBondContact O-ND2 2.8Å
380	A	86.3	Confident	82.5	Confident	31 Å²	31	63.6 Å²	63.6	26%	0.256	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.2	173.6	0	0	0	0	0	110	F389 D390	A380-F389 WeakPolarHBondContact O-CA 3.38Å; A380-D390 HydrophobicContact CB-CB 4.39Å; A380-D390 PolarHBondContact N-O 2.95Å; A380-D390 PolarHBondContact O-N 2.98Å
381	R	79.4	Confident	82.6	Confident	211 Å²	211	61.6 Å²	61.6	80%	0.796	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.3	168	-176.1	173.8	178	167.2	-3.8	107.5	F389	R381-F389 HydrophobicContact CB-CE1 4.4Å
382	G	67.5	Low	82.6	Confident	10 Å²	10	61.7 Å²	61.7	10%	0.103	32%	0.319	C	S	.	.			trans	-64.1	143.9	-178.9	0	0	0	0	0	111.2	T384 S388	G382-T384 PolarHBondContact O-N 2.97Å; G382-S388 PolarHBondContact N-O 3.46Å
383	T	64.3	Low	82.8	Confident	152 Å²	152	57.8 Å²	57.8	93%	0.933	30%	0.299	S	S	*	.	S	Bend	trans	-78.9	4.3	178.2	48.4	0	0	0	0	113.6
384	T	61.4	Low	83	Confident	77 Å²	77	58.1 Å²	58.1	47%	0.472	30%	0.3	S	S	.	.	S	Bend	trans	-84.5	150.7	179.5	-49.5	0	0	0	0	110.8	G382 T386	G382-T384 PolarHBondContact O-N 2.97Å; T384-T386 VanDerWaalsContact C-N 3.27Å; T384-T386 WeakPolarHBondContact CG2-OG1 3.42Å; T384-T386 PolarHBondContact O-N 2.87Å; T384-T386 VanDerWaalsContact O-O 3.07Å
385	T	57.3	Low	83	Confident	147 Å²	147	58.1 Å²	58.1	90%	0.902	30%	0.3	S	S	*	.	S	Bend	trans	-66.2	-24.8	179.3	50.8	0	0	0	0	114
386	T	59	Low	82.8	Confident	88 Å²	88	62.6 Å²	62.6	54%	0.54	32%	0.315	S	S	.	.	S	Bend	trans	-69.1	131.4	165.4	50.7	0	0	0	0	109.7	T384 S388	T384-T386 VanDerWaalsContact C-N 3.27Å; T384-T386 WeakPolarHBondContact CG2-OG1 3.42Å; T384-T386 PolarHBondContact O-N 2.87Å; T384-T386 VanDerWaalsContact O-O 3.07Å; T386-S388 PolarHBondContact O-N 3.12Å; T386-S388 PolarHBondContact O-OG 2.83Å
387	R	67.4	Low	82.5	Confident	205 Å²	205	67.8 Å²	67.8	77%	0.774	34%	0.339	S	S	*	.	S	Bend	trans	-64.9	66.8	-174.2	-64.4	175.3	174	179.5	-3.4	113
388	S	83.3	Confident	82.1	Confident	9 Å²	9	70.6 Å²	70.6	6%	0.063	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.6	-166.3	55.5	0	0	0	0	113	G382 T386 I406	G382-S388 PolarHBondContact N-O 3.46Å; T386-S388 PolarHBondContact O-N 3.12Å; T386-S388 PolarHBondContact O-OG 2.83Å; S388-I406 CarbonylContact C-O 3.49Å; S388-I406 WeakPolarHBondContact CA-O 3.49Å; S388-I406 WeakPolarHBondContact CB-O 3.31Å
389	F	88.1	Confident	82.1	Confident	39 Å²	39	72.4 Å²	72.4	17%	0.171	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	152.8	179.6	-68.3	-92.3	0	0	0	111	A380 R381 S405 I406 R408 Y411	A380-F389 WeakPolarHBondContact O-CA 3.38Å; R381-F389 HydrophobicContact CB-CE1 4.4Å; F389-S405 PolarHBondContact O-N 3.21Å; F389-I406 PolarHBondContact N-O 2.99Å; F389-I406 WeakPolarHBondContact O-CB 3.46Å; F389-I406 PolarHBondContact O-N 3.16Å; F389-R408 HydrophobicContact CD2-CB 4.37Å; F389-R408 HydrophobicContact CE2-CB 3.91Å; F389-R408 HydrophobicContact CE2-CG 3.93Å; F389-Y411 HydrophobicContact CB-CD2 3.65Å; F389-Y411 HydrophobicContact CB-CE2 4.23Å; F389-Y411 HydrophobicContact CB-CG 4.49Å; F389-Y411 AromaticContact CD1-CD2 3.8Å; F389-Y411 HydrophobicContact CD1-CD2 3.8Å; F389-Y411 AromaticContact CD1-CE2 3.75Å; F389-Y411 HydrophobicContact CD1-CE2 3.75Å; F389-Y411 HydrophobicContact CD1-CG 4.48Å; F389-Y411 AromaticContact CD2-CD2 3.96Å; F389-Y411 HydrophobicContact CD2-CD2 3.96Å; F389-Y411 HydrophobicContact CD2-CG 4.05Å; F389-Y411 HydrophobicContact CE1-CD2 4.45Å; F389-Y411 HydrophobicContact CE1-CE2 4.29Å; F389-Y411 HydrophobicContact CE2-CG 4.43Å; F389-Y411 AromaticContact CG-CD2 3.51Å; F389-Y411 HydrophobicContact CG-CD2 3.51Å; F389-Y411 AromaticContact CG-CE2 3.97Å; F389-Y411 HydrophobicContact CG-CE2 3.97Å; F389-Y411 HydrophobicContact CG-CG 4.08Å
390	D	91.6	Very high	82.3	Confident	34 Å²	34	76.1 Å²	76.1	18%	0.182	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.7	174	-59.6	-22.3	0	0	0	108.3	A380 T402 F403 S404 S405	A380-D390 HydrophobicContact CB-CB 4.39Å; A380-D390 PolarHBondContact N-O 2.95Å; A380-D390 PolarHBondContact O-N 2.98Å; D390-T402 HydrophobicContact CB-CG2 4.32Å; D390-F403 WeakPolarHBondContact CA-O 3.35Å; D390-S404 WeakPolarHBondContact OD1-CA 3.47Å; D390-S404 WeakPolarHBondContact OD1-CB 3.13Å; D390-S405 PolarHBondContact OD1-N 3.45Å
391	F	93.8	Very high	82.7	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.009	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.6	178.9	175.1	-129.4	0	0	0	109.4	L352 F359 V377 F379 I393 F403 I406 L414 V418	L352-F391 HydrophobicContact CD2-CD1 4.03Å; L352-F391 HydrophobicContact CD2-CE1 4.34Å; F359-F391 HydrophobicContact CE1-CE1 4.06Å; F359-F391 HydrophobicContact CE1-CZ 4.37Å; F359-F391 HydrophobicContact CE2-CE1 4.15Å; F359-F391 HydrophobicContact CE2-CZ 4.02Å; F359-F391 AromaticContact CZ-CE1 3.84Å; F359-F391 HydrophobicContact CZ-CE1 3.84Å; F359-F391 AromaticContact CZ-CZ 3.73Å; F359-F391 HydrophobicContact CZ-CZ 3.73Å; V377-F391 HydrophobicContact CB-CE2 3.71Å; V377-F391 HydrophobicContact CB-CZ 4.3Å; V377-F391 HydrophobicContact CG1-CE2 3.99Å; V377-F391 HydrophobicContact CG1-CZ 4.05Å; V377-F391 HydrophobicContact CG2-CE2 3.96Å; F379-F391 HydrophobicContact CD1-CB 4.44Å; F379-F391 AromaticContact CD1-CD2 3.74Å; F379-F391 HydrophobicContact CD1-CD2 3.74Å; F379-F391 HydrophobicContact CE1-CB 4.36Å; F379-F391 AromaticContact CE1-CD2 3.28Å; F379-F391 HydrophobicContact CE1-CD2 3.28Å; F379-F391 AromaticContact CE1-CE2 3.77Å; F379-F391 HydrophobicContact CE1-CE2 3.77Å; F379-F391 HydrophobicContact CE1-CG 4.11Å; F379-F391 HydrophobicContact CE2-CE2 4.44Å; F379-F391 AromaticContact CZ-CD2 3.75Å; F379-F391 HydrophobicContact CZ-CD2 3.75Å; F379-F391 AromaticContact CZ-CE2 3.73Å; F379-F391 HydrophobicContact CZ-CE2 3.73Å; F391-I393 HydrophobicContact CD1-CD1 4.45Å; F391-I393 HydrophobicContact CD1-CG1 4.36Å; F391-I393 HydrophobicContact CE1-CD1 3.7Å; F391-I393 HydrophobicContact CE1-CG1 3.85Å; F391-I393 HydrophobicContact CZ-CD1 4.05Å; F391-I393 HydrophobicContact CZ-CG1 3.93Å; F391-F403 HydrophobicContact CD1-CD2 4.25Å; F391-F403 PolarHBondContact N-O 3.3Å; F391-F403 PolarHBondContact O-N 3.39Å; F391-I406 HydrophobicContact CB-CD1 3.51Å; F391-L414 HydrophobicContact CB-CD2 4.06Å; F391-L414 HydrophobicContact CD1-CD2 3.75Å; F391-L414 HydrophobicContact CD2-CD2 4.12Å; F391-L414 HydrophobicContact CE1-CD1 4.2Å; F391-L414 HydrophobicContact CE1-CD2 4.12Å; F391-L414 HydrophobicContact CE2-CD2 4.45Å; F391-L414 HydrophobicContact CG-CD2 3.73Å; F391-L414 HydrophobicContact CZ-CD1 4.3Å; F391-L414 HydrophobicContact CZ-CD2 4.45Å; F391-V418 HydrophobicContact CE2-CG2 4.02Å; F391-V418 HydrophobicContact CZ-CG2 3.91Å
392	E	94.2	Very high	83.4	Confident	34 Å²	34	69.1 Å²	69.1	16%	0.159	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.4	-178.2	-33.2	-166.7	90.3	0	0	111.4	V377 N378 Q400 Y401 T402	V377-E392 CarbonylContact C-O 3.53Å; V377-E392 WeakPolarHBondContact CA-O 3.5Å; V377-E392 WeakPolarHBondContact CB-O 3.44Å; N378-E392 HydrophobicContact CB-CB 4.08Å; N378-E392 HydrophobicContact CB-CG 4.29Å; N378-E392 PolarHBondContact N-O 3.47Å; N378-E392 PolarHBondContact ND2-OE2 2.88Å; N378-E392 PolarHBondContact O-N 2.81Å; E392-Q400 PolarHBondContact OE1-NE2 3.08Å; E392-Y401 WeakPolarHBondContact CA-O 3.47Å; E392-T402 HydrophobicContact CG-CG2 4.09Å; E392-T402 PolarHBondContact OE1-OG1 3.42Å
393	I	95.4	Very high	84.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.1	176.3	-52.6	-178.6	0	0	0	108.1	F359 I369 I374 V377 F391 Q400 Y401 F403	F359-I393 HydrophobicContact CD2-CD1 3.45Å; F359-I393 VanDerWaalsContact CD2-CD1 3.45Å; F359-I393 HydrophobicContact CE2-CD1 3.76Å; F359-I393 HydrophobicContact CG-CD1 4.14Å; I369-I393 HydrophobicContact CD1-CB 4.47Å; I369-I393 HydrophobicContact CD1-CD1 4.02Å; I369-I393 HydrophobicContact CG2-CG2 4.25Å; I374-I393 HydrophobicContact CB-CG2 4.36Å; I374-I393 HydrophobicContact CD1-CG2 3.69Å; I374-I393 HydrophobicContact CG1-CG2 3.58Å; I374-I393 HydrophobicContact CG2-CG2 4.03Å; V377-I393 HydrophobicContact CG1-CB 4.47Å; V377-I393 HydrophobicContact CG1-CG1 4.08Å; V377-I393 HydrophobicContact CG1-CG2 4.31Å; F391-I393 HydrophobicContact CD1-CD1 4.45Å; F391-I393 HydrophobicContact CD1-CG1 4.36Å; F391-I393 HydrophobicContact CE1-CD1 3.7Å; F391-I393 HydrophobicContact CE1-CG1 3.85Å; F391-I393 HydrophobicContact CZ-CD1 4.05Å; F391-I393 HydrophobicContact CZ-CG1 3.93Å; I393-Q400 CarbonylContact O-C 3.59Å; I393-Q400 WeakPolarHBondContact O-CA 3.48Å; I393-Y401 PolarHBondContact N-O 3.39Å; I393-Y401 PolarHBondContact O-N 3.27Å; I393-F403 HydrophobicContact CD1-CE2 4.03Å; I393-F403 HydrophobicContact CG1-CE2 4.44Å
394	E	94.9	Very high	86	Confident	59 Å²	59	62.9 Å²	62.9	28%	0.276	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.2	171.5	-167.8	177.3	109.4	0	0	109.4	S375 F376	S375-E394 WeakPolarHBondContact CB-O 3.41Å; S375-E394 PolarHBondContact N-O 2.89Å; F376-E394 HydrophobicContact CD2-CB 4.31Å; F376-E394 HydrophobicContact CE1-CB 4.19Å; F376-E394 HydrophobicContact CE1-CG 4.38Å; F376-E394 WeakPolarHBondContact CE1-OE1 3.45Å; F376-E394 HydrophobicContact CE2-CB 3.84Å; F376-E394 HydrophobicContact CZ-CB 3.79Å; F376-E394 HydrophobicContact CZ-CG 4.13Å; F376-E394 WeakPolarHBondContact CZ-OE1 3.23Å; F376-E394 WeakPolarHBondContact CZ-OE2 3.44Å; F376-E394 PolarHBondContact O-N 2.94Å
395	T	93.9	Very high	87.3	Confident	6 Å²	6	61.7 Å²	61.7	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	158.6	175.8	69.7	0	0	0	0	111.7	I369 E373 Q397 G398 T399 Y401	I369-T395 HydrophobicContact CG2-CG2 4.23Å; E373-T395 HydrophobicContact CB-CG2 4.49Å; E373-T395 CarbonylContact O-C 3.59Å; E373-T395 WeakPolarHBondContact O-CA 3.38Å; E373-T395 WeakPolarHBondContact O-CB 3.39Å; T395-Q397 PolarHBondContact O-N 3.3Å; T395-Q397 PolarHBondContact OG1-N 3.15Å; T395-G398 PolarHBondContact O-N 3.01Å; T395-T399 PolarHBondContact N-O 3.21Å; T395-T399 WeakPolarHBondContact OG1-CB 3.33Å; T395-T399 PolarHBondContact OG1-N 3.01Å; T395-T399 PolarHBondContact OG1-O 3.49Å; T395-Y401 HydrophobicContact CG2-CD2 4.23Å; T395-Y401 HydrophobicContact CG2-CE2 3.78Å
396	K	91.3	Very high	88.9	Confident	136 Å²	136	54.8 Å²	54.8	59%	0.591	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.8	171.9	-61.8	-178.5	177.7	84.7	0	114	D372 E373 I374	D372-K396 PolarHBondContact O-NZ 2.94Å; E373-K396 PolarHBondContact O-N 3.2Å; I374-K396 WeakPolarHBondContact O-CE 3.26Å; I374-K396 PolarHBondContact O-NZ 2.88Å
397	Q	86.3	Confident	90.4	Very high	145 Å²	145	55.4 Å²	55.4	68%	0.678	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	3.6	172.1	-68.8	178.7	-37.9	0	0	112.8	T395	T395-Q397 PolarHBondContact O-N 3.3Å; T395-Q397 PolarHBondContact OG1-N 3.15Å
398	G	87	Confident	91.2	Very high	59 Å²	59	52.6 Å²	52.6	61%	0.608	27%	0.269	S	S	*	.	S	Bend	trans	81.2	13	-178.6	0	0	0	0	0	114.8	T395	T395-G398 PolarHBondContact O-N 3.01Å
399	T	91.9	Very high	91.3	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.362	29%	0.288	S	S	.	.			trans	-91.3	118.5	179.3	-49.4	0	0	0	0	110.7	T395 Y401	T395-T399 PolarHBondContact N-O 3.21Å; T395-T399 WeakPolarHBondContact OG1-CB 3.33Å; T395-T399 PolarHBondContact OG1-N 3.01Å; T395-T399 PolarHBondContact OG1-O 3.49Å; T399-Y401 HydrophobicContact CG2-CD2 4.2Å; T399-Y401 HydrophobicContact CG2-CE1 4.45Å; T399-Y401 HydrophobicContact CG2-CE2 3.47Å; T399-Y401 VanDerWaalsContact CG2-CE2 3.47Å
400	Q	93.4	Very high	91.3	Very high	96 Å²	96	55.2 Å²	55.2	45%	0.449	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.1	177.6	-172.2	-179.6	0.5	0	0	112.2	E392 I393	E392-Q400 PolarHBondContact OE1-NE2 3.08Å; I393-Q400 CarbonylContact O-C 3.59Å; I393-Q400 WeakPolarHBondContact O-CA 3.48Å
401	Y	94.9	Very high	91.1	Very high	52 Å²	52	56.3 Å²	56.3	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	100.4	178.1	-62.5	-95.2	0	0	0	110.5	Y345 V367 I369 E392 I393 T395 T399	Y345-Y401 HydrophobicContact CE2-CD1 4.12Å; Y345-Y401 AromaticContact CZ-CD1 3.9Å; Y345-Y401 VanDerWaalsContact OH-CD1 3.32Å; Y345-Y401 WeakPolarHBondContact OH-CD1 3.48Å; V367-Y401 HydrophobicContact CG1-CD1 3.72Å; V367-Y401 HydrophobicContact CG1-CE1 3.53Å; V367-Y401 HydrophobicContact CG2-CE1 4.45Å; I369-Y401 HydrophobicContact CD1-CD1 3.93Å; I369-Y401 HydrophobicContact CD1-CD2 3.66Å; I369-Y401 HydrophobicContact CD1-CE1 4.37Å; I369-Y401 HydrophobicContact CD1-CE2 4.11Å; I369-Y401 HydrophobicContact CD1-CG 3.55Å; I369-Y401 HydrophobicContact CG1-CD2 4.22Å; I369-Y401 HydrophobicContact CG1-CE1 4.49Å; I369-Y401 HydrophobicContact CG1-CE2 4.17Å; I369-Y401 HydrophobicContact CG1-CG 4.4Å; E392-Y401 WeakPolarHBondContact CA-O 3.47Å; I393-Y401 PolarHBondContact N-O 3.39Å; I393-Y401 PolarHBondContact O-N 3.27Å; T395-Y401 HydrophobicContact CG2-CD2 4.23Å; T395-Y401 HydrophobicContact CG2-CE2 3.78Å; T399-Y401 HydrophobicContact CG2-CD2 4.2Å; T399-Y401 HydrophobicContact CG2-CE1 4.45Å; T399-Y401 HydrophobicContact CG2-CE2 3.47Å; T399-Y401 VanDerWaalsContact CG2-CE2 3.47Å
402	T	93.9	Very high	90.8	Very high	43 Å²	43	57.4 Å²	57.4	26%	0.264	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114	177.4	-50.5	0	0	0	0	110.8	Y345 D390 E392	Y345-T402 WeakPolarHBondContact CD2-O 3.17Å; D390-T402 HydrophobicContact CB-CG2 4.32Å; E392-T402 HydrophobicContact CG-CG2 4.09Å; E392-T402 PolarHBondContact OE1-OG1 3.42Å
403	F	94.4	Very high	90.6	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.1	171.9	-60.7	-81.4	0	0	0	108.6	C343 Y345 L352 Y361 I369 D390 F391 I393 I406	C343-F403 HydrophobicContact CB-CB 4.43Å; Y345-F403 AromaticContact CD2-CD1 3.81Å; Y345-F403 HydrophobicContact CD2-CD1 3.81Å; Y345-F403 AromaticContact CD2-CE1 3.64Å; Y345-F403 HydrophobicContact CD2-CE1 3.64Å; Y345-F403 HydrophobicContact CD2-CG 4.46Å; Y345-F403 HydrophobicContact CD2-CZ 4.19Å; Y345-F403 HydrophobicContact CE2-CE1 4.36Å; Y345-F403 HydrophobicContact CG-CD1 4.1Å; Y345-F403 AromaticContact CG-CE1 3.84Å; Y345-F403 HydrophobicContact CG-CE1 3.84Å; L352-F403 HydrophobicContact CD1-CD1 4.25Å; L352-F403 HydrophobicContact CD1-CE1 4.02Å; L352-F403 HydrophobicContact CD1-CE2 4.36Å; L352-F403 HydrophobicContact CD1-CZ 4.07Å; L352-F403 HydrophobicContact CD2-CB 4.41Å; L352-F403 HydrophobicContact CD2-CD1 4.46Å; L352-F403 HydrophobicContact CD2-CD2 4.35Å; L352-F403 HydrophobicContact CD2-CG 4.14Å; Y361-F403 HydrophobicContact CD2-CD1 4.15Å; Y361-F403 HydrophobicContact CD2-CE1 4.01Å; Y361-F403 HydrophobicContact CG-CD1 4.41Å; Y361-F403 AromaticContact CG-CE1 3.81Å; Y361-F403 HydrophobicContact CG-CE1 3.81Å; I369-F403 HydrophobicContact CD1-CE2 4.22Å; I369-F403 HydrophobicContact CD1-CZ 4.29Å; D390-F403 WeakPolarHBondContact CA-O 3.35Å; F391-F403 HydrophobicContact CD1-CD2 4.25Å; F391-F403 PolarHBondContact N-O 3.3Å; F391-F403 PolarHBondContact O-N 3.39Å; I393-F403 HydrophobicContact CD1-CE2 4.03Å; I393-F403 HydrophobicContact CG1-CE2 4.44Å; F403-I406 HydrophobicContact CB-CD1 4.39Å
404	S	92.1	Very high	90.5	Very high	29 Å²	29	60.7 Å²	60.7	20%	0.203	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	167.5	-170.9	60	0	0	0	0	113.3	S344 D390 I406	S344-S404 WeakPolarHBondContact CB-OG 3.38Å; S344-S404 PolarHBondContact N-O 3.39Å; S344-S404 PolarHBondContact O-N 2.86Å; S344-S404 PolarHBondContact O-OG 3.46Å; S344-S404 VanDerWaalsContact O-OG 3.08Å; D390-S404 WeakPolarHBondContact OD1-CA 3.47Å; D390-S404 WeakPolarHBondContact OD1-CB 3.13Å; S404-I406 PolarHBondContact O-N 3.31Å
405	S	89.8	Confident	90.3	Very high	52 Å²	52	61.2 Å²	61.2	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.1	37.7	173.9	-44.9	0	0	0	0	114.6	F389 D390	F389-S405 PolarHBondContact O-N 3.21Å; D390-S405 PolarHBondContact OD1-N 3.45Å
406	I	91.4	Very high	90.2	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.9	173.6	-63.2	168.4	0	0	0	109.5	I341 C343 S388 F389 F391 F403 S404 E410 L414	I341-I406 HydrophobicContact CG2-CB 4.45Å; I341-I406 HydrophobicContact CG2-CD1 4.24Å; I341-I406 HydrophobicContact CG2-CG1 3.96Å; I341-I406 HydrophobicContact CG2-CG2 3.76Å; C343-I406 HydrophobicContact CB-CD1 4.39Å; C343-I406 HydrophobicContact CB-CG1 3.73Å; S388-I406 CarbonylContact C-O 3.49Å; S388-I406 WeakPolarHBondContact CA-O 3.49Å; S388-I406 WeakPolarHBondContact CB-O 3.31Å; F389-I406 PolarHBondContact N-O 2.99Å; F389-I406 WeakPolarHBondContact O-CB 3.46Å; F389-I406 PolarHBondContact O-N 3.16Å; F391-I406 HydrophobicContact CB-CD1 3.51Å; F403-I406 HydrophobicContact CB-CD1 4.39Å; S404-I406 PolarHBondContact O-N 3.31Å; I406-E410 HydrophobicContact CG2-CB 4.19Å; I406-L414 HydrophobicContact CD1-CD2 4.22Å
407	E	88.7	Confident	90.3	Very high	102 Å²	102	59.8 Å²	59.8	48%	0.477	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.3	179	-67.5	173.2	-175.8	0	0	111.4	E409 E410 Y411	E407-E409 PolarHBondContact O-N 3.12Å; E407-E409 VanDerWaalsContact O-N 3.17Å; E407-E410 HydrophobicContact CB-CG 4.42Å; E407-E410 PolarHBondContact O-N 2.64Å; E407-E410 VanDerWaalsContact O-N 3.11Å; E407-Y411 PolarHBondContact O-N 3.45Å
408	R	84.7	Confident	90.6	Very high	145 Å²	145	52.9 Å²	52.9	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-27.5	-177.2	175	171.5	177.4	176	-4	112.2	F389 Y411	F389-R408 HydrophobicContact CD2-CB 4.37Å; F389-R408 HydrophobicContact CE2-CB 3.91Å; F389-R408 HydrophobicContact CE2-CG 3.93Å; R408-Y411 WeakPolarHBondContact O-CB 3.28Å
409	E	86.3	Confident	90.8	Very high	98 Å²	98	52 Å²	52	46%	0.458	26%	0.258	S	S	.	.	H	α-helix	trans	-75.5	-36	-179	-60.6	65.5	-143.9	0	0	110.7	H335 E407	H335-E409 HydrophobicContact CB-CB 4.01Å; E407-E409 PolarHBondContact O-N 3.12Å; E407-E409 VanDerWaalsContact O-N 3.17Å
410	E	87.7	Confident	90.8	Very high	6 Å²	6	53 Å²	53	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-79.6	-29.4	173	-61.4	-164.5	142.6	0	0	112.2	H335 I341 T342 I406 E407 G412 K413 L414	H335-E410 HydrophobicContact CB-CG 4.48Å; I341-E410 VanDerWaalsContact CA-OE2 3.28Å; I341-E410 WeakPolarHBondContact CA-OE2 3.45Å; I341-E410 HydrophobicContact CG1-CB 4.47Å; I341-E410 HydrophobicContact CG2-CB 4.39Å; I341-E410 VanDerWaalsContact CG2-OE2 3.31Å; I341-E410 WeakPolarHBondContact CG2-OE2 3.44Å; T342-E410 PolarHBondContact N-OE2 3.41Å; I406-E410 HydrophobicContact CG2-CB 4.19Å; E407-E410 HydrophobicContact CB-CG 4.42Å; E407-E410 PolarHBondContact O-N 2.64Å; E407-E410 VanDerWaalsContact O-N 3.11Å; E410-G412 PolarHBondContact O-N 2.73Å; E410-K413 PolarHBondContact O-N 3.17Å; E410-L414 PolarHBondContact O-N 3.41Å; E410-L414 VanDerWaalsContact O-N 3.08Å
411	Y	86.4	Confident	90.8	Very high	56 Å²	56	52 Å²	52	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-52.9	-48.4	178.2	174.3	-87.4	0	0	0	113.2	F379 F389 E407 R408 K413 L414 F415	F379-Y411 HydrophobicContact CB-CE2 3.9Å; F379-Y411 HydrophobicContact CD1-CD2 4.02Å; F379-Y411 AromaticContact CD1-CE2 3.35Å; F379-Y411 HydrophobicContact CD1-CE2 3.35Å; F379-Y411 HydrophobicContact CE1-CD2 4.32Å; F379-Y411 AromaticContact CE1-CE2 3.93Å; F379-Y411 HydrophobicContact CE1-CE2 3.93Å; F379-Y411 AromaticContact CG-CE2 3.72Å; F379-Y411 HydrophobicContact CG-CE2 3.72Å; F389-Y411 HydrophobicContact CB-CD2 3.65Å; F389-Y411 HydrophobicContact CB-CE2 4.23Å; F389-Y411 HydrophobicContact CB-CG 4.49Å; F389-Y411 AromaticContact CD1-CD2 3.8Å; F389-Y411 HydrophobicContact CD1-CD2 3.8Å; F389-Y411 AromaticContact CD1-CE2 3.75Å; F389-Y411 HydrophobicContact CD1-CE2 3.75Å; F389-Y411 HydrophobicContact CD1-CG 4.48Å; F389-Y411 AromaticContact CD2-CD2 3.96Å; F389-Y411 HydrophobicContact CD2-CD2 3.96Å; F389-Y411 HydrophobicContact CD2-CG 4.05Å; F389-Y411 HydrophobicContact CE1-CD2 4.45Å; F389-Y411 HydrophobicContact CE1-CE2 4.29Å; F389-Y411 HydrophobicContact CE2-CG 4.43Å; F389-Y411 AromaticContact CG-CD2 3.51Å; F389-Y411 HydrophobicContact CG-CD2 3.51Å; F389-Y411 AromaticContact CG-CE2 3.97Å; F389-Y411 HydrophobicContact CG-CE2 3.97Å; F389-Y411 HydrophobicContact CG-CG 4.08Å; E407-Y411 PolarHBondContact O-N 3.45Å; R408-Y411 WeakPolarHBondContact O-CB 3.28Å; Y411-K413 PolarHBondContact O-N 3.2Å; Y411-L414 WeakPolarHBondContact O-CB 3.48Å; Y411-L414 PolarHBondContact O-N 2.91Å; Y411-L414 VanDerWaalsContact O-N 3.17Å; Y411-F415 HydrophobicContact CE1-CB 4.34Å; Y411-F415 PolarHBondContact O-N 3.25Å
412	G	88.1	Confident	90.6	Very high	26 Å²	26	58.4 Å²	58.4	27%	0.268	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-47.7	-177.3	0	0	0	0	0	112.3	E410 L414 F415 D416	E410-G412 PolarHBondContact O-N 2.73Å; G412-L414 VanDerWaalsContact C-N 3.31Å; G412-L414 PolarHBondContact O-N 3.46Å; G412-F415 WeakPolarHBondContact O-CB 3.39Å; G412-F415 PolarHBondContact O-N 3.38Å; G412-D416 VanDerWaalsContact O-CG 3.28Å; G412-D416 PolarHBondContact O-N 3.47Å
413	K	91.1	Very high	90.5	Very high	102 Å²	102	57.3 Å²	57.3	44%	0.443	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-36.3	176.7	-62.8	-58.7	-176.3	-170.9	0	112.6	F332 E410 Y411 F417	F332-K413 HydrophobicContact CE2-CB 4.09Å; F332-K413 HydrophobicContact CZ-CB 4.24Å; E410-K413 PolarHBondContact O-N 3.17Å; Y411-K413 PolarHBondContact O-N 3.2Å; K413-F417 WeakPolarHBondContact O-CB 3.41Å; K413-F417 PolarHBondContact O-N 3.28Å
414	L	92	Very high	90.4	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-42.5	174.6	-178.8	57.7	0	0	0	111.8	I341 F359 F379 F391 I406 E410 Y411 G412 F417 V418	I341-L414 HydrophobicContact CD1-CB 3.73Å; I341-L414 HydrophobicContact CD1-CD1 3.81Å; I341-L414 HydrophobicContact CD1-CD2 3.8Å; I341-L414 HydrophobicContact CD1-CG 3.98Å; F359-L414 HydrophobicContact CE1-CD1 4.06Å; F359-L414 HydrophobicContact CZ-CD1 4.45Å; F379-L414 HydrophobicContact CE1-CD2 4.07Å; F379-L414 HydrophobicContact CE1-CG 4.22Å; F379-L414 HydrophobicContact CZ-CG 4.38Å; F391-L414 HydrophobicContact CB-CD2 4.06Å; F391-L414 HydrophobicContact CD1-CD2 3.75Å; F391-L414 HydrophobicContact CD2-CD2 4.12Å; F391-L414 HydrophobicContact CE1-CD1 4.2Å; F391-L414 HydrophobicContact CE1-CD2 4.12Å; F391-L414 HydrophobicContact CE2-CD2 4.45Å; F391-L414 HydrophobicContact CG-CD2 3.73Å; F391-L414 HydrophobicContact CZ-CD1 4.3Å; F391-L414 HydrophobicContact CZ-CD2 4.45Å; I406-L414 HydrophobicContact CD1-CD2 4.22Å; E410-L414 PolarHBondContact O-N 3.41Å; E410-L414 VanDerWaalsContact O-N 3.08Å; Y411-L414 WeakPolarHBondContact O-CB 3.48Å; Y411-L414 PolarHBondContact O-N 2.91Å; Y411-L414 VanDerWaalsContact O-N 3.17Å; G412-L414 VanDerWaalsContact C-N 3.31Å; G412-L414 PolarHBondContact O-N 3.46Å; L414-F417 PolarHBondContact O-N 2.68Å; L414-V418 HydrophobicContact CD1-CG2 4.11Å; L414-V418 HydrophobicContact CG-CG2 4.41Å; L414-V418 WeakPolarHBondContact O-CB 3.21Å; L414-V418 VanDerWaalsContact O-CG2 3.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 2.78Å
415	F	91.1	Very high	90.4	Very high	69 Å²	69	62.1 Å²	62.1	30%	0.303	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-47.6	175.8	-177	-96.3	0	0	0	111.2	F379 Y411 G412 F417 V418 N419 I425	F379-F415 HydrophobicContact CD2-CD2 4.13Å; F379-F415 AromaticContact CE2-CD2 3.75Å; F379-F415 HydrophobicContact CE2-CD2 3.75Å; F379-F415 HydrophobicContact CE2-CE2 4.48Å; F379-F415 HydrophobicContact CZ-CB 4.47Å; F379-F415 HydrophobicContact CZ-CD2 4.33Å; Y411-F415 HydrophobicContact CE1-CB 4.34Å; Y411-F415 PolarHBondContact O-N 3.25Å; G412-F415 WeakPolarHBondContact O-CB 3.39Å; G412-F415 PolarHBondContact O-N 3.38Å; F415-F417 VanDerWaalsContact C-N 3.33Å; F415-F417 PolarHBondContact O-N 3.4Å; F415-V418 PolarHBondContact O-N 2.99Å; F415-N419 VanDerWaalsContact CD1-ND2 3.29Å; F415-N419 WeakPolarHBondContact CD1-ND2 3.25Å; F415-N419 WeakPolarHBondContact CE1-ND2 3.45Å; F415-N419 WeakPolarHBondContact CZ-ND2 3.35Å; F415-N419 PolarHBondContact O-N 2.98Å; F415-N419 PolarHBondContact O-ND2 3.26Å; F415-I425 HydrophobicContact CD2-CD1 4.05Å; F415-I425 HydrophobicContact CE2-CD1 3.69Å; F415-I425 HydrophobicContact CZ-CD1 4.36Å
416	D	91.7	Very high	90.2	Very high	90 Å²	90	66 Å²	66	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-55.5	-47.9	174.5	-65.2	-24	0	0	0	111.4	G412 N419 A420	G412-D416 VanDerWaalsContact O-CG 3.28Å; G412-D416 PolarHBondContact O-N 3.47Å; D416-N419 PolarHBondContact O-N 2.82Å; D416-A420 VanDerWaalsContact O-CB 3.32Å; D416-A420 WeakPolarHBondContact O-CB 3.47Å; D416-A420 PolarHBondContact O-N 2.7Å
417	F	92.8	Very high	89.4	Confident	23 Å²	23	69.8 Å²	69.8	10%	0.101	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-43.8	179.8	178	-88.8	0	0	0	112.9	F332 P354 L355 F359 F371 K413 L414 F415 A420 K421	F332-F417 HydrophobicContact CB-CD2 4.04Å; F332-F417 HydrophobicContact CB-CE2 4.09Å; F332-F417 HydrophobicContact CD2-CB 3.83Å; F332-F417 AromaticContact CD2-CD2 3.74Å; F332-F417 HydrophobicContact CD2-CD2 3.74Å; F332-F417 HydrophobicContact CD2-CE2 4.5Å; F332-F417 AromaticContact CD2-CG 3.84Å; F332-F417 HydrophobicContact CD2-CG 3.84Å; F332-F417 HydrophobicContact CE2-CB 4.11Å; F332-F417 HydrophobicContact CE2-CG 4.48Å; F332-F417 HydrophobicContact CG-CD2 4.32Å; P354-F417 HydrophobicContact CB-CD1 3.87Å; P354-F417 HydrophobicContact CB-CD2 4.36Å; P354-F417 HydrophobicContact CB-CE1 3.51Å; P354-F417 HydrophobicContact CB-CE2 4.01Å; P354-F417 HydrophobicContact CB-CG 4.28Å; P354-F417 HydrophobicContact CB-CZ 3.57Å; L355-F417 WeakPolarHBondContact O-CZ 3.38Å; F359-F417 HydrophobicContact CE1-CD1 4.43Å; F359-F417 HydrophobicContact CE1-CE1 4.12Å; F359-F417 HydrophobicContact CZ-CD1 4.48Å; F359-F417 HydrophobicContact CZ-CE1 4.22Å; F371-F417 AromaticContact CZ-CE1 3.83Å; F371-F417 HydrophobicContact CZ-CE1 3.83Å; F371-F417 HydrophobicContact CZ-CZ 4Å; K413-F417 WeakPolarHBondContact O-CB 3.41Å; K413-F417 PolarHBondContact O-N 3.28Å; L414-F417 PolarHBondContact O-N 2.68Å; F415-F417 VanDerWaalsContact C-N 3.33Å; F415-F417 PolarHBondContact O-N 3.4Å; F417-A420 PolarHBondContact O-N 2.96Å; F417-K421 HydrophobicContact CD1-CG 4.29Å; F417-K421 HydrophobicContact CE1-CG 3.84Å; F417-K421 HydrophobicContact CE2-CG 4.23Å; F417-K421 HydrophobicContact CZ-CD 4.47Å; F417-K421 HydrophobicContact CZ-CG 3.82Å; F417-K421 WeakPolarHBondContact O-CB 3.42Å; F417-K421 WeakPolarHBondContact O-CG 3.38Å; F417-K421 PolarHBondContact O-N 3.11Å
418	V	92.3	Very high	88.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-43.8	177.4	163.3	0	0	0	0	110.8	F359 V377 F379 F391 L414 F415 K421 K422 L423 I425	F359-V418 HydrophobicContact CZ-CG2 4.31Å; V377-V418 HydrophobicContact CG2-CG1 3.56Å; F379-V418 HydrophobicContact CE2-CG1 4.35Å; F379-V418 HydrophobicContact CZ-CB 4.49Å; F379-V418 HydrophobicContact CZ-CG2 4.2Å; F391-V418 HydrophobicContact CE2-CG2 4.02Å; F391-V418 HydrophobicContact CZ-CG2 3.91Å; L414-V418 HydrophobicContact CD1-CG2 4.11Å; L414-V418 HydrophobicContact CG-CG2 4.41Å; L414-V418 WeakPolarHBondContact O-CB 3.21Å; L414-V418 VanDerWaalsContact O-CG2 3.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 2.78Å; F415-V418 PolarHBondContact O-N 2.99Å; V418-K421 PolarHBondContact O-N 3.2Å; V418-K422 PolarHBondContact O-N 3.17Å; V418-L423 HydrophobicContact CG1-CB 3.98Å; V418-L423 HydrophobicContact CG1-CD1 4.49Å; V418-L423 HydrophobicContact CG2-CD1 4.44Å; V418-L423 PolarHBondContact O-N 3.05Å; V418-L423 VanDerWaalsContact O-N 3.13Å; V418-I425 HydrophobicContact CG1-CD1 3.77Å; V418-I425 HydrophobicContact CG1-CG1 3.72Å
419	N	91.4	Very high	86.2	Confident	41 Å²	41	68.2 Å²	68.2	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-44	175	-74.3	-69.8	0	0	0	112	F415 D416 K421 K422 I425 R428	F415-N419 VanDerWaalsContact CD1-ND2 3.29Å; F415-N419 WeakPolarHBondContact CD1-ND2 3.25Å; F415-N419 WeakPolarHBondContact CE1-ND2 3.45Å; F415-N419 WeakPolarHBondContact CZ-ND2 3.35Å; F415-N419 PolarHBondContact O-N 2.98Å; F415-N419 PolarHBondContact O-ND2 3.26Å; D416-N419 PolarHBondContact O-N 2.82Å; N419-K421 VanDerWaalsContact C-N 3.25Å; N419-K421 PolarHBondContact O-N 2.81Å; N419-K422 WeakPolarHBondContact O-CA 3.11Å; N419-K422 PolarHBondContact O-N 3.35Å; N419-I425 WeakPolarHBondContact OD1-CD1 3.37Å; N419-R428 PolarHBondContact OD1-NH2 3.09Å
420	A	92.8	Very high	84.3	Confident	79 Å²	79	71.1 Å²	71.1	65%	0.653	37%	0.367	S	S	*	.	H	α-helix	trans	-62.4	-31.1	176.9	0	0	0	0	0	112.9	D416 F417 K422	D416-A420 VanDerWaalsContact O-CB 3.32Å; D416-A420 WeakPolarHBondContact O-CB 3.47Å; D416-A420 PolarHBondContact O-N 2.7Å; F417-A420 PolarHBondContact O-N 2.96Å; A420-K422 VanDerWaalsContact C-N 3.29Å
421	K	92.4	Very high	82.2	Confident	74 Å²	74	79.7 Å²	79.7	32%	0.322	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.2	171.7	-66.6	-63	-177	174.7	0	114.2	E356 F371 F417 V418 N419 L423	E356-K421 WeakPolarHBondContact O-CE 3.34Å; E356-K421 PolarHBondContact O-NZ 3.44Å; F371-K421 HydrophobicContact CD2-CD 4.36Å; F371-K421 HydrophobicContact CE2-CB 4.17Å; F371-K421 HydrophobicContact CE2-CD 3.74Å; F371-K421 HydrophobicContact CE2-CG 3.77Å; F371-K421 HydrophobicContact CZ-CG 4.2Å; F417-K421 HydrophobicContact CD1-CG 4.29Å; F417-K421 HydrophobicContact CE1-CG 3.84Å; F417-K421 HydrophobicContact CE2-CG 4.23Å; F417-K421 HydrophobicContact CZ-CD 4.47Å; F417-K421 HydrophobicContact CZ-CG 3.82Å; F417-K421 WeakPolarHBondContact O-CB 3.42Å; F417-K421 WeakPolarHBondContact O-CG 3.38Å; F417-K421 PolarHBondContact O-N 3.11Å; V418-K421 PolarHBondContact O-N 3.2Å; N419-K421 VanDerWaalsContact C-N 3.25Å; N419-K421 PolarHBondContact O-N 2.81Å; K421-L423 HydrophobicContact CB-CG 4.24Å; K421-L423 PolarHBondContact O-N 2.92Å
422	K	91.6	Very high	79.5	Confident	188 Å²	188	85.3 Å²	85.3	82%	0.817	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.9	178	-55.4	-174.7	-179.6	-175.5	0	113.4	V418 N419 A420	V418-K422 PolarHBondContact O-N 3.17Å; N419-K422 WeakPolarHBondContact O-CA 3.11Å; N419-K422 PolarHBondContact O-N 3.35Å; A420-K422 VanDerWaalsContact C-N 3.29Å
423	L	92.5	Very high	77	Confident	19 Å²	19	87.8 Å²	87.8	10%	0.099	46%	0.458	C	S	.	.			trans	-78.3	134.9	172.2	-60.2	178	0	0	0	109.3	F359 F371 I374 V377 V418 K421 I425	F359-L423 HydrophobicContact CE2-CD1 3.99Å; F359-L423 HydrophobicContact CZ-CD1 4.31Å; F371-L423 HydrophobicContact CB-CD2 4.1Å; F371-L423 HydrophobicContact CD1-CD1 4.14Å; F371-L423 HydrophobicContact CD1-CD2 4.19Å; F371-L423 HydrophobicContact CE1-CD1 4.2Å; F371-L423 HydrophobicContact CG-CD2 4.16Å; I374-L423 HydrophobicContact CB-CD2 4.5Å; I374-L423 HydrophobicContact CD1-CD1 4.06Å; I374-L423 HydrophobicContact CD1-CD2 4.21Å; V377-L423 HydrophobicContact CG1-CD1 4.39Å; V418-L423 HydrophobicContact CG1-CB 3.98Å; V418-L423 HydrophobicContact CG1-CD1 4.49Å; V418-L423 HydrophobicContact CG2-CD1 4.44Å; V418-L423 PolarHBondContact O-N 3.05Å; V418-L423 VanDerWaalsContact O-N 3.13Å; K421-L423 HydrophobicContact CB-CG 4.24Å; K421-L423 PolarHBondContact O-N 2.92Å; L423-I425 PolarHBondContact O-N 3.02Å
424	N	90.8	Very high	74.2	Confident	112 Å²	112	90.3 Å²	90.3	60%	0.599	47%	0.473	S	S	*	.			trans	-62.9	129.8	178.3	-61.6	-38.9	0	0	0	110.3	S375 F376 V377	S375-N424 PolarHBondContact O-ND2 2.75Å; F376-N424 CarbonylContact C-O 3.49Å; F376-N424 WeakPolarHBondContact CA-O 3.39Å; F376-N424 HydrophobicContact CB-CB 3.85Å; F376-N424 WeakPolarHBondContact CB-O 3.21Å; V377-N424 PolarHBondContact N-O 3.43Å
425	I	92.2	Very high	71.2	Confident	19 Å²	19	97.4 Å²	97.4	10%	0.097	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-109.7	115.3	176.4	-58.2	173.8	0	0	0	108.6	V377 F379 F415 V418 N419 L423 N427 R428	V377-I425 HydrophobicContact CG2-CG1 3.94Å; V377-I425 WeakPolarHBondContact O-CA 3.23Å; F379-I425 HydrophobicContact CD2-CG2 3.99Å; F379-I425 HydrophobicContact CE2-CD1 4.13Å; F379-I425 HydrophobicContact CE2-CG1 4.4Å; F379-I425 HydrophobicContact CE2-CG2 4.36Å; F415-I425 HydrophobicContact CD2-CD1 4.05Å; F415-I425 HydrophobicContact CE2-CD1 3.69Å; F415-I425 HydrophobicContact CZ-CD1 4.36Å; V418-I425 HydrophobicContact CG1-CD1 3.77Å; V418-I425 HydrophobicContact CG1-CG1 3.72Å; N419-I425 WeakPolarHBondContact OD1-CD1 3.37Å; L423-I425 PolarHBondContact O-N 3.02Å; I425-N427 PolarHBondContact O-N 3.37Å; I425-R428 HydrophobicContact CB-CG 4.15Å; I425-R428 HydrophobicContact CG2-CG 4.28Å
426	K	87.2	Confident	68.9	Low	134 Å²	134	99.7 Å²	99.7	58%	0.583	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.1	-174	-174.6	167.5	175.5	177.8	0	113.7	F376 V377 R428	F376-K426 HydrophobicContact CD2-CB 3.79Å; F376-K426 HydrophobicContact CD2-CD 3.86Å; F376-K426 HydrophobicContact CD2-CG 4.45Å; F376-K426 HydrophobicContact CE1-CD 4.29Å; F376-K426 HydrophobicContact CE2-CB 4.16Å; F376-K426 HydrophobicContact CE2-CD 3.38Å; F376-K426 HydrophobicContact CE2-CG 4.41Å; F376-K426 HydrophobicContact CG-CB 4.34Å; F376-K426 HydrophobicContact CZ-CD 3.62Å; V377-K426 PolarHBondContact O-N 2.79Å; K426-R428 PolarHBondContact O-N 3.47Å
427	N	73.5	Confident	65.8	Low	81 Å²	81	99.8 Å²	99.8	43%	0.433	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	21.2	-172.4	-81.3	12.2	0	0	0	115.4	N378 F379 I425 G429	N378-N427 PolarHBondContact OD1-ND2 3.42Å; N378-N427 PolarHBondContact OD1-OD1 3.06Å; F379-N427 PolarHBondContact O-ND2 2.8Å; I425-N427 PolarHBondContact O-N 3.37Å; N427-G429 VanDerWaalsContact C-N 3.26Å; N427-G429 PolarHBondContact O-N 2.95Å
428	R	64.3	Low	63.4	Low	156 Å²	156	109 Å²	109	59%	0.589	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-57.6	-34.8	179.7	-89.9	179.2	166.1	-132.6	0.5	113.9	N419 I425 K426 L430	N419-R428 PolarHBondContact OD1-NH2 3.09Å; I425-R428 HydrophobicContact CB-CG 4.15Å; I425-R428 HydrophobicContact CG2-CG 4.28Å; K426-R428 PolarHBondContact O-N 3.47Å; R428-L430 PolarHBondContact O-N 2.94Å
429	G	43.2	Very low	60.6	Low	59 Å²	59	116.5 Å²	116.5	61%	0.608	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-80.4	-1	-170.3	0	0	0	0	0	117.6	N427 K431	N427-G429 VanDerWaalsContact C-N 3.26Å; N427-G429 PolarHBondContact O-N 2.95Å; G429-K431 VanDerWaalsContact C-N 3.25Å; G429-K431 PolarHBondContact O-N 2.84Å
430	L	45.3	Very low	58	Low	159 Å²	159	121.7 Å²	121.7	83%	0.832	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-82.1	-0.9	-179.9	-149.6	75.8	0	0	0	113.7	R428	R428-L430 PolarHBondContact O-N 2.94Å
431	K	42.8	Very low	55.5	Low	186 Å²	186	129.3 Å²	129.3	81%	0.809	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-149.9	56.6	173.7	-78.4	-155.8	171	-158.7	0	112.4	G429	G429-K431 VanDerWaalsContact C-N 3.25Å; G429-K431 PolarHBondContact O-N 2.84Å
432	E	31.3	Very low	53.1	Low	174 Å²	174	130 Å²	130	81%	0.813	67%	0.672	S	S	*	*			trans	-91.9	101.6	158.5	-70.5	-171	148.6	0	0	108
433	G	34.3	Very low	50.6	Low	78 Å²	78	129.1 Å²	129.1	80%	0.804	68%	0.676	S	S	*	*	S	Bend	trans	162.8	-7.7	-172.7	0	0	0	0	0	116.6
434	M	33	Very low	47.7	Very low	154 Å²	154	132.5 Å²	132.5	76%	0.759	70%	0.701	S	S	*	*			trans	-137.1	126.9	174.9	-157.1	69.3	170.2	0	0	110.7
435	N	29.8	Very low	45.4	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	72%	0.718	S	S	*	*			trans	-71.1	147.2	174.6	-88.7	-30.4	0	0	0	111	S437	N435-S437 VanDerWaalsContact C-N 3.31Å; N435-S437 PolarHBondContact O-N 3.31Å
436	P	41.5	Very low	42.7	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	75%	0.749	S	S	*	*			trans	-80.1	74.5	177	34	-35.4	0	0	0	111.5
437	S	27.9	Very low	41	Very low	92 Å²	92	144.2 Å²	144.2	64%	0.643	77%	0.765	S	S	*	*			trans	-71.8	137.7	152.4	-169.4	0	0	0	0	108.2	N435	N435-S437 VanDerWaalsContact C-N 3.31Å; N435-S437 PolarHBondContact O-N 3.31Å
438	Y	41.8	Very low	39.5	Very low	218 Å²	218	149.1 Å²	149.1	86%	0.855	79%	0.785	S	S	*	*			trans	-111	10.1	-166.6	-135.6	-88.1	0	0	0	113.9
439	D	34.1	Very low	38.6	Very low	156 Å²	156	148.3 Å²	148.3	83%	0.834	79%	0.788	S	S	*	*			trans	-131.3	15.8	-159.4	-129.3	3.9	0	0	0	114.2
440	E	35.3	Very low	38.9	Very low	150 Å²	150	150.8 Å²	150.8	70%	0.701	79%	0.788	S	S	*	*			trans	-119.4	48.3	-171.6	-160.5	176.1	-167.3	0	0	112.5
441	Y	40	Very low	39.2	Very low	239 Å²	239	146.5 Å²	146.5	94%	0.937	78%	0.775	S	S	*	*			trans	-143.8	39.8	169.9	-70.6	-70.3	0	0	0	112.1
442	A	42.9	Very low	39.5	Very low	88 Å²	88	144.4 Å²	144.4	73%	0.727	76%	0.763	S	S	*	*	S	Bend	trans	-111.5	131.6	163.1	0	0	0	0	0	108.2
443	D	38.2	Very low	40.5	Very low	171 Å²	171	141.8 Å²	141.8	91%	0.914	75%	0.754	S	S	*	*			trans	45.1	99.3	179.5	-74.4	-7.9	0	0	0	118.3
444	S	31.8	Very low	41.8	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	74%	0.737	S	S	*	*				-159.1	122.9	126.5	-166.6	0	0	0	0	110.8	E446	S444-E446 PolarHBondContact O-N 3.49Å
445	D	42.3	Very low	43.3	Very low	179 Å²	179	144 Å²	144	96%	0.957	73%	0.733	S	S	*	*			trans	-89.1	78.8	162.3	-86.7	-35.9	0	0	0	108.1
446	E	36.8	Very low	44.8	Very low	162 Å²	162	141.9 Å²	141.9	76%	0.757	72%	0.72	S	S	*	*			trans	-132.7	143.7	172.9	-76.4	-170.3	141.5	0	0	112.2	S444 Q448	S444-E446 PolarHBondContact O-N 3.49Å; E446-Q448 PolarHBondContact O-N 2.85Å
447	D	51.6	Low	46	Very low	170 Å²	170	144.4 Å²	144.4	91%	0.909	72%	0.719	S	S	*	*			trans	-65.8	116.6	-168.5	-73.3	-69.4	0	0	0	114	H449	D447-H449 PolarHBondContact O-N 2.86Å
448	Q	41.7	Very low	47.4	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	72%	0.718	S	S	*	*			trans	-103.6	81.2	-177	-156.4	99.7	117.3	0	0	113.7	E446	E446-Q448 PolarHBondContact O-N 2.85Å
449	H	45.4	Very low	48.4	Very low	139 Å²	139	142.6 Å²	142.6	64%	0.644	71%	0.708	S	S	*	*			trans	49.5	80	147.3	-123	-89	0	0	0	117.2	D447 A451 E454	D447-H449 PolarHBondContact O-N 2.86Å; H449-A451 PolarHBondContact O-N 3.3Å; H449-A451 VanDerWaalsContact O-N 3.17Å; H449-E454 IonicContact CE1-OE1 2.67Å; H449-E454 PolarHBondContact CE1-OE1 3.01Å; H449-E454 IonicContact CE1-OE2 2.63Å; H449-E454 PolarHBondContact CE1-OE2 2.92Å; H449-E454 IonicContact ND1-OE2 2.63Å; H449-E454 PolarHBondContact ND1-OE2 2.93Å
450	D	48.6	Very low	49.5	Very low	112 Å²	112	136.8 Å²	136.8	60%	0.599	69%	0.685	S	S	*	*			trans	-77.1	101.3	168.5	-167.4	-10.4	0	0	0	111	Y452 L453	D450-Y452 PolarHBondContact O-N 2.68Å; D450-Y452 WeakPolarHBondContact OD1-CB 3.33Å; D450-Y452 PolarHBondContact OD1-N 2.91Å; D450-Y452 VanDerWaalsContact OD1-N 3.16Å; D450-L453 PolarHBondContact O-N 2.9Å
451	A	51.6	Low	50.9	Low	69 Å²	69	135.3 Å²	135.3	57%	0.57	68%	0.677	S	S	*	*	H	α-helix	trans	-60.1	-8	-178.9	0	0	0	0	0	114.5	H449	H449-A451 PolarHBondContact O-N 3.3Å; H449-A451 VanDerWaalsContact O-N 3.17Å
452	Y	49.3	Very low	52	Low	142 Å²	142	128.7 Å²	128.7	56%	0.557	66%	0.657	S	S	*	*	H	α-helix	trans	-69.6	-36.4	169.5	-172	-104.3	0	0	0	112.7	D450 R455 M456	D450-Y452 PolarHBondContact O-N 2.68Å; D450-Y452 WeakPolarHBondContact OD1-CB 3.33Å; D450-Y452 PolarHBondContact OD1-N 2.91Å; D450-Y452 VanDerWaalsContact OD1-N 3.16Å; Y452-R455 PolarHBondContact O-N 2.92Å; Y452-M456 HydrophobicContact CE1-CE 4.14Å; Y452-M456 HydrophobicContact CE1-CG 4.46Å; Y452-M456 HydrophobicContact CE1-SD 3.85Å; Y452-M456 PolarHBondContact O-N 3.32Å
453	L	52.2	Low	52.7	Low	118 Å²	118	134.4 Å²	134.4	62%	0.618	66%	0.659	S	S	*	*	H	α-helix	trans	-70.5	-38.8	-176.9	-114.5	81	0	0	0	112.9	D450 M456 K457	D450-L453 PolarHBondContact O-N 2.9Å; L453-M456 PolarHBondContact O-N 2.92Å; L453-K457 PolarHBondContact O-N 2.82Å; L453-K457 VanDerWaalsContact O-N 3.12Å
454	E	62.1	Low	53.3	Low	98 Å²	98	132.7 Å²	132.7	46%	0.458	65%	0.646	S	S	.	*	H	α-helix	trans	-64.8	-42.7	175.9	-72.4	-179.5	117.5	0	0	111.1	H449 M456 K457 E458	H449-E454 IonicContact CE1-OE1 2.67Å; H449-E454 PolarHBondContact CE1-OE1 3.01Å; H449-E454 IonicContact CE1-OE2 2.63Å; H449-E454 PolarHBondContact CE1-OE2 2.92Å; H449-E454 IonicContact ND1-OE2 2.63Å; H449-E454 PolarHBondContact ND1-OE2 2.93Å; E454-M456 VanDerWaalsContact C-N 3.31Å; E454-M456 PolarHBondContact O-N 2.91Å; E454-K457 CarbonylContact O-C 3.54Å; E454-K457 WeakPolarHBondContact O-CA 3.4Å; E454-K457 WeakPolarHBondContact O-CB 3.22Å; E454-K457 PolarHBondContact O-N 2.82Å; E454-E458 PolarHBondContact O-N 3.32Å
455	R	63.8	Low	54.2	Low	180 Å²	180	134.3 Å²	134.3	68%	0.679	64%	0.643	S	S	*	*	H	α-helix	trans	-60.2	-40.8	177.9	-160.5	-180	-148.4	168.1	8.2	112.4	Y452 K457 E458 E459	Y452-R455 PolarHBondContact O-N 2.92Å; R455-K457 VanDerWaalsContact C-N 3.34Å; R455-E458 PolarHBondContact O-N 2.88Å; R455-E459 VanDerWaalsContact O-CB 3.32Å; R455-E459 WeakPolarHBondContact O-CB 3.49Å; R455-E459 PolarHBondContact O-N 3.2Å
456	M	61	Low	54.4	Low	107 Å²	107	132.4 Å²	132.4	53%	0.527	63%	0.633	S	S	.	*	H	α-helix	trans	-65	-34.6	172.7	-89.8	-170	154.5	0	0	112.9	Y452 L453 E454 G460	Y452-M456 HydrophobicContact CE1-CE 4.14Å; Y452-M456 HydrophobicContact CE1-CG 4.46Å; Y452-M456 HydrophobicContact CE1-SD 3.85Å; Y452-M456 PolarHBondContact O-N 3.32Å; L453-M456 PolarHBondContact O-N 2.92Å; E454-M456 VanDerWaalsContact C-N 3.31Å; E454-M456 PolarHBondContact O-N 2.91Å; M456-G460 PolarHBondContact O-N 2.82Å
457	K	67.1	Low	54.7	Low	169 Å²	169	128.2 Å²	128.2	74%	0.735	63%	0.627	S	S	*	*	H	α-helix	trans	-69.3	-42.2	174	-89.4	-177.3	172	178.7	0	112.7	L453 E454 R455 G460 K461	L453-K457 PolarHBondContact O-N 2.82Å; L453-K457 VanDerWaalsContact O-N 3.12Å; E454-K457 CarbonylContact O-C 3.54Å; E454-K457 WeakPolarHBondContact O-CA 3.4Å; E454-K457 WeakPolarHBondContact O-CB 3.22Å; E454-K457 PolarHBondContact O-N 2.82Å; R455-K457 VanDerWaalsContact C-N 3.34Å; K457-G460 PolarHBondContact O-N 3.35Å; K457-K461 WeakPolarHBondContact O-CB 3.46Å; K457-K461 PolarHBondContact O-N 2.95Å
458	E	57.8	Low	54.3	Low	132 Å²	132	126.8 Å²	126.8	62%	0.617	62%	0.619	S	S	*	*	H	α-helix	trans	-65.3	-45	176.1	-68.9	-174	132.4	0	0	111.5	E454 R455 G460 K461 I462	E454-E458 PolarHBondContact O-N 3.32Å; R455-E458 PolarHBondContact O-N 2.88Å; E458-G460 VanDerWaalsContact C-N 3.32Å; E458-G460 PolarHBondContact O-N 2.99Å; E458-K461 PolarHBondContact O-N 2.81Å; E458-I462 WeakPolarHBondContact O-CD1 3.36Å; E458-I462 VanDerWaalsContact O-CG1 3.28Å; E458-I462 WeakPolarHBondContact O-CG1 3.49Å; E458-I462 PolarHBondContact O-N 3.22Å
459	E	63.2	Low	54.2	Low	140 Å²	140	125.8 Å²	125.8	65%	0.654	62%	0.619	S	S	*	*	H	α-helix	trans	-64.4	-35.1	177.3	-170.6	167.1	-151.9	0	0	112.3	R455 R463	R455-E459 VanDerWaalsContact O-CB 3.32Å; R455-E459 WeakPolarHBondContact O-CB 3.49Å; R455-E459 PolarHBondContact O-N 3.2Å; E459-R463 PolarHBondContact O-N 2.72Å
460	G	57.4	Low	53.6	Low	34 Å²	34	124.2 Å²	124.2	35%	0.351	62%	0.624	S	S	.	*	H	α-helix	trans	-64.7	-47.7	169.6	0	0	0	0	0	112.8	M456 K457 E458 I462 R463 E464	M456-G460 PolarHBondContact O-N 2.82Å; K457-G460 PolarHBondContact O-N 3.35Å; E458-G460 VanDerWaalsContact C-N 3.32Å; E458-G460 PolarHBondContact O-N 2.99Å; G460-I462 PolarHBondContact O-N 2.79Å; G460-R463 WeakPolarHBondContact O-CA 3.18Å; G460-R463 VanDerWaalsContact O-CB 3.31Å; G460-R463 WeakPolarHBondContact O-CB 3.37Å; G460-R463 PolarHBondContact O-N 2.93Å; G460-E464 PolarHBondContact O-N 2.67Å; G460-E464 VanDerWaalsContact O-N 3.09Å
461	K	64.6	Low	52.9	Low	119 Å²	119	123.5 Å²	123.5	52%	0.517	63%	0.628	S	S	.	*	H	α-helix	trans	-64.6	-39.6	-177.9	-165.8	170	-173.5	-76.8	0	112.7	K457 E458 R463 E464 E465	K457-K461 WeakPolarHBondContact O-CB 3.46Å; K457-K461 PolarHBondContact O-N 2.95Å; E458-K461 PolarHBondContact O-N 2.81Å; K461-R463 PolarHBondContact O-N 2.55Å; K461-E464 PolarHBondContact O-N 3.13Å; K461-E465 IonicContact NZ-OE1 2.88Å; K461-E465 PolarHBondContact NZ-OE1 3.26Å; K461-E465 WeakPolarHBondContact O-CB 3.47Å; K461-E465 WeakPolarHBondContact O-CG 3.49Å; K461-E465 PolarHBondContact O-N 3.35Å
462	I	62.5	Low	51.9	Low	101 Å²	101	127.9 Å²	127.9	52%	0.518	64%	0.642	S	S	.	*	H	α-helix	trans	-61.4	-29.5	172.7	-68	163.6	0	0	0	111.2	E458 G460 N466	E458-I462 WeakPolarHBondContact O-CD1 3.36Å; E458-I462 VanDerWaalsContact O-CG1 3.28Å; E458-I462 WeakPolarHBondContact O-CG1 3.49Å; E458-I462 PolarHBondContact O-N 3.22Å; G460-I462 PolarHBondContact O-N 2.79Å; I462-N466 PolarHBondContact O-N 2.88Å; I462-N466 PolarHBondContact O-ND2 3.23Å
463	R	57	Low	51	Low	208 Å²	208	127.6 Å²	127.6	79%	0.785	65%	0.65	S	S	*	*	H	α-helix	trans	-78.4	-32.3	176.6	-169.4	172.8	-179.9	159.3	-0.4	113.1	E459 G460 K461	E459-R463 PolarHBondContact O-N 2.72Å; G460-R463 WeakPolarHBondContact O-CA 3.18Å; G460-R463 VanDerWaalsContact O-CB 3.31Å; G460-R463 WeakPolarHBondContact O-CB 3.37Å; G460-R463 PolarHBondContact O-N 2.93Å; K461-R463 PolarHBondContact O-N 2.55Å
464	E	52	Low	50.1	Low	135 Å²	135	126.9 Å²	126.9	63%	0.631	66%	0.655	S	S	*	*	H	α-helix	trans	-74.6	-37.4	173.2	-67.5	178.7	156.9	0	0	112.2	G460 K461 N466 A467 N468	G460-E464 PolarHBondContact O-N 2.67Å; G460-E464 VanDerWaalsContact O-N 3.09Å; K461-E464 PolarHBondContact O-N 3.13Å; E464-N466 VanDerWaalsContact C-N 3.31Å; E464-N466 PolarHBondContact O-N 2.71Å; E464-A467 PolarHBondContact O-N 3.16Å; E464-N468 PolarHBondContact O-ND2 3.27Å
465	E	50	Low	48.5	Very low	122 Å²	122	125.5 Å²	125.5	57%	0.57	67%	0.667	S	S	*	*	H	α-helix	trans	-67.8	-29.3	177.3	-73	173.4	-174.2	0	0	112.4	K461 A467	K461-E465 IonicContact NZ-OE1 2.88Å; K461-E465 PolarHBondContact NZ-OE1 3.26Å; K461-E465 WeakPolarHBondContact O-CB 3.47Å; K461-E465 WeakPolarHBondContact O-CG 3.49Å; K461-E465 PolarHBondContact O-N 3.35Å; E465-A467 VanDerWaalsContact C-N 3.29Å; E465-A467 PolarHBondContact O-N 3.2Å
466	N	46.4	Very low	46.9	Very low	139 Å²	139	126 Å²	126	74%	0.743	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	1.4	172.9	-80.9	-72.1	0	0	0	114.9	I462 E464	I462-N466 PolarHBondContact O-N 2.88Å; I462-N466 PolarHBondContact O-ND2 3.23Å; E464-N466 VanDerWaalsContact C-N 3.31Å; E464-N466 PolarHBondContact O-N 2.71Å
467	A	44.5	Very low	45.4	Very low	75 Å²	75	128 Å²	128	62%	0.62	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-4.2	-177.1	0	0	0	0	0	114.4	E464 E465	E464-A467 PolarHBondContact O-N 3.16Å; E465-A467 VanDerWaalsContact C-N 3.29Å; E465-A467 PolarHBondContact O-N 3.2Å
468	N	41.8	Very low	43.5	Very low	140 Å²	140	126 Å²	126	75%	0.749	69%	0.687	S	S	*	*	S	Bend	trans	-110.1	28.9	-166.5	-79.7	-59	0	0	0	114.9	E464	E464-N468 PolarHBondContact O-ND2 3.27Å
469	D	39	Very low	42.1	Very low	162 Å²	162	126.8 Å²	126.8	87%	0.866	70%	0.696	S	S	*	*			trans	-138	70.3	175.8	-168.1	24.2	0	0	0	113.2
470	S	33.1	Very low	40.8	Very low	107 Å²	107	127.9 Å²	127.9	75%	0.748	70%	0.701	S	S	*	*	S	Bend	trans	-170	116.4	140.7	-160.3	0	0	0	0	112.6
471	S	33.8	Very low	39.7	Very low	97 Å²	97	131.3 Å²	131.3	68%	0.678	72%	0.72	S	S	*	*			trans	35.7	109.2	141.9	65.3	0	0	0	0	122.3
472	D	31	Very low	38	Very low	160 Å²	160	134.6 Å²	134.6	86%	0.856	73%	0.734	S	S	*	*				80.8	139.8	106.1	-146.2	20.5	0	0	0	123.2
473	D	30.6	Very low	36.9	Very low	136 Å²	136	136.5 Å²	136.5	73%	0.727	75%	0.745	S	S	*	*			trans	48.9	147.2	161.5	-150	26	0	0	0	125.6
474	S	32.9	Very low	36.7	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	74%	0.739	S	S	*	*			trans	78.5	113.6	151.7	71.5	0	0	0	0	122.2
475	G	29.9	Very low	35.6	Very low	70 Å²	70	127.7 Å²	127.7	72%	0.722	74%	0.737	S	S	*	*				100.7	111.9	116.5	0	0	0	0	0	120.8
476	E	29.4	Very low	34.9	Very low	190 Å²	190	130.7 Å²	130.7	89%	0.888	75%	0.751	S	S	*	*			trans	56.5	162.8	137.8	-55	-174.7	154.4	0	0	119.9
477	E	28.8	Very low	34.2	Very low	149 Å²	149	132.6 Å²	132.6	70%	0.696	76%	0.756	S	S	*	*			cis	-161.4	161	-41	-97.3	-142.9	154.8	0	0	106.5
478	T	28.1	Very low	33.6	Very low	127 Å²	127	137.1 Å²	137.1	78%	0.779	76%	0.764	S	S	*	*			trans	62.9	163.7	153	49.7	0	0	0	0	119.2
479	D	29.3	Very low	33.2	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	77%	0.77	S	S	*	*			cis	-159.2	-178.7	-26.1	-174.6	26.6	0	0	0	108.7
480	E	33.9	Very low	32.9	Very low	164 Å²	164	138.7 Å²	138.7	77%	0.766	77%	0.766	S	S	*	*			trans	-79.2	153	-165.3	-59.8	-178.7	160.1	0	0	117.7
481	S	36	Very low	33	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	77%	0.767	S	S	*	*			trans	62.1	128.9	140.7	72.9	0	0	0	0	122.2
482	F	27.5	Very low	33.2	Very low	188 Å²	188	138.6 Å²	138.6	83%	0.825	77%	0.765	S	S	*	*				-160.8	150.7	122.4	-151.8	-106.5	0	0	0	114.5
483	N	40.1	Very low	33.7	Very low	140 Å²	140	138.5 Å²	138.5	75%	0.749	76%	0.759	S	S	*	*			trans	-167.3	144.1	169.7	-175	51.8	0	0	0	105.1
484	P	53	Low	34	Very low	101 Å²	101	139.9 Å²	139.9	66%	0.656	76%	0.761	S	S	*	*			cis	-136.1	-157.2	17.2	43.9	-24.4	0	0	0	114.5
485	G	28.8	Very low	34	Very low	57 Å²	57	143.5 Å²	143.5	59%	0.588	76%	0.764	S	S	*	*			trans	153.1	109.5	167.1	0	0	0	0	0	110.8
486	E	35.6	Very low	34.1	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	76%	0.762	S	S	*	*				73	137	80.6	-72.3	170.5	-170.9	0	0	113.3
487	E	31.9	Very low	34.4	Very low	179 Å²	179	141.2 Å²	141.2	84%	0.836	75%	0.748	S	S	*	*			cis	-151.2	-169.8	-18.6	-123.5	-179	169.5	0	0	106.8
488	E	31.9	Very low	34.5	Very low	171 Å²	171	141.7 Å²	141.7	80%	0.799	76%	0.756	S	S	*	*			cis	-149.7	-158.7	17.8	-154.9	-169.2	138.2	0	0	108.7
489	E	32	Very low	34.7	Very low	187 Å²	187	140.2 Å²	140.2	87%	0.874	76%	0.756	S	S	*	*			trans	66.3	143.5	179.6	-68.8	-173.1	160.2	0	0	116
490	D	32.8	Very low	35	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	76%	0.758	S	S	*	*			cis	-148	172.5	-5.6	-173.5	20.2	0	0	0	109.5
491	V	35.1	Very low	34.8	Very low	124 Å²	124	136.3 Å²	136.3	75%	0.752	77%	0.765	S	S	*	*			trans	-107.4	173.5	-172.1	-114.2	0	0	0	0	112.6
492	A	39.8	Very low	34.5	Very low	77 Å²	77	136.8 Å²	136.8	64%	0.636	77%	0.769	S	S	*	*			cis	-161.1	148.6	4.5	0	0	0	0	0	112.6
493	E	40.2	Very low	34.5	Very low	158 Å²	158	133.4 Å²	133.4	74%	0.738	77%	0.769	S	S	*	*			trans	55.1	159.9	133	-55.9	-55.1	154.3	0	0	122.3
494	E	36.5	Very low	33.8	Very low	165 Å²	165	131.9 Å²	131.9	77%	0.771	77%	0.769	S	S	*	*			cis	-157.7	156.3	12.6	-142.2	168.7	-123.6	0	0	111.9
495	F	32.6	Very low	32.6	Very low	180 Å²	180	132 Å²	132	79%	0.789	77%	0.772	S	S	*	*			trans	26.8	154.1	149.2	-95.2	-132.4	0	0	0	124
496	D	32.1	Very low	32.4	Very low	127 Å²	127	136 Å²	136	68%	0.679	78%	0.78	S	S	*	*			cis	-162.7	-155.7	-4.7	-163.8	-3.1	0	0	0	110.9
497	S	37.1	Very low	32.1	Very low	85 Å²	85	135.3 Å²	135.3	59%	0.594	78%	0.777	S	S	*	*			trans	-124.8	-161.7	-143.9	61.8	0	0	0	0	118.4
498	N	30.3	Very low	31.9	Very low	159 Å²	159	130.2 Å²	130.2	85%	0.85	77%	0.772	S	S	*	*			trans	85	144.1	178.1	-71.9	-42.4	0	0	0	119.5
499	A	32.2	Very low	31.8	Very low	96 Å²	96	129.9 Å²	129.9	79%	0.793	78%	0.775	S	S	*	*			cis	-166.7	171.1	-18.3	0	0	0	0	0	111
500	S	35	Very low	31.7	Very low	118 Å²	118	125.6 Å²	125.6	83%	0.825	77%	0.766	S	S	*	*			trans	-127.4	143.8	-174.8	59.9	0	0	0	0	114.8
501	A	30.1	Very low	31.8	Very low	111 Å²	111	126.2 Å²	126.2	92%	0.917	77%	0.77	S	S	*	*			trans	-165.9	170	160	0	0	0	0	0	112.8
502	S	30.2	Very low	31.9	Very low	116 Å²	116	132 Å²	132	81%	0.811	78%	0.778	S	S	*	*			trans	-142.8	143.2	176	64.6	0	0	0	0	112.6
503	S	27.5	Very low	32	Very low	118 Å²	118	134.4 Å²	134.4	83%	0.825	78%	0.78	S	S	*	*			trans	-176	134.9	151.7	51.9	0	0	0	0	115.6
504	S	25.5	Very low	31.9	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	77%	0.772	S	S	*	*			trans	38.8	126.6	137.5	-148.1	0	0	0	0	125.1
505	S	26.9	Very low	32.2	Very low	102 Å²	102	133.4 Å²	133.4	71%	0.713	77%	0.773	S	S	*	*				70.4	115.4	128.9	62.6	0	0	0	0	125.5
506	N	25.9	Very low	32.7	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	77%	0.768	S	S	*	*				93.9	144.6	129.2	-122.1	50.3	0	0	0	124.6
507	E	29.7	Very low	33.2	Very low	171 Å²	171	135.8 Å²	135.8	80%	0.799	77%	0.771	S	S	*	*			trans	98.1	134.9	160.4	-51.6	-77.5	127.1	0	0	120.1
508	G	27.5	Very low	33.4	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	77%	0.769	S	S	*	*			trans	67.7	100.3	169.6	0	0	0	0	0	117.4
509	D	28.5	Very low	34	Very low	164 Å²	164	138 Å²	138	88%	0.877	77%	0.765	S	S	*	*				43.4	106.2	67.8	-154.9	34.8	0	0	0	113.4
510	S	30.4	Very low	34.6	Very low	97 Å²	97	139.5 Å²	139.5	68%	0.678	76%	0.759	S	S	*	*				-164.7	-157.3	63.5	47.8	0	0	0	0	113.9
511	D	35	Very low	34.9	Very low	162 Å²	162	141.4 Å²	141.4	87%	0.866	75%	0.752	S	S	*	*			trans	66.3	48.3	172.2	-93.2	-12.4	0	0	0	119.5
512	R	36.5	Very low	35.3	Very low	245 Å²	245	145 Å²	145	93%	0.925	75%	0.748	S	S	*	*			trans	-90.5	0.5	174.3	-125.8	176.8	-170.4	-172.7	4.4	117
513	D	41.6	Very low	35.7	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	74%	0.74	S	S	*	*	S	Bend	trans	-95.5	-24.9	-168	-116.7	-52.4	0	0	0	116.6	K515 K516	D513-K515 VanDerWaalsContact C-N 3.33Å; D513-K515 PolarHBondContact O-N 3.32Å; D513-K516 PolarHBondContact O-N 3.02Å
514	E	39.6	Very low	36.2	Very low	124 Å²	124	146.6 Å²	146.6	58%	0.579	74%	0.739	S	S	*	*	H	α-helix	trans	-67.3	-31	-172.6	-135.3	-102.4	121.1	0	0	113	K518	E514-K518 WeakPolarHBondContact OE1-CE 3.44Å; E514-K518 IonicContact OE1-NZ 2.66Å; E514-K518 PolarHBondContact OE1-NZ 2.86Å; E514-K518 IonicContact OE2-NZ 3.78Å; E514-K518 PolarHBondContact OE2-NZ 2.88Å
515	K	41.8	Very low	36.6	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	75%	0.745	S	S	*	*	H	α-helix	trans	-76.9	-33.3	-179.2	-81.1	175	177.6	166.9	0	114	D513 R517 K518	D513-K515 VanDerWaalsContact C-N 3.33Å; D513-K515 PolarHBondContact O-N 3.32Å; K515-R517 VanDerWaalsContact C-N 3.32Å; K515-R517 PolarHBondContact O-N 3.43Å; K515-K518 PolarHBondContact O-N 3.39Å
516	K	42.5	Very low	37	Very low	157 Å²	157	149.3 Å²	149.3	68%	0.683	75%	0.747	S	S	*	*	H	α-helix	trans	-64.9	-36.9	176.5	-113.6	175.6	-179.6	174.7	0	111.6	D513 K518 Q519 L520	D513-K516 PolarHBondContact O-N 3.02Å; K516-K518 VanDerWaalsContact C-N 3.32Å; K516-K518 PolarHBondContact O-N 3.06Å; K516-Q519 PolarHBondContact O-N 2.83Å; K516-L520 PolarHBondContact O-N 3.18Å
517	R	44	Very low	37.8	Very low	199 Å²	199	152.1 Å²	152.1	75%	0.751	75%	0.752	S	S	*	*	H	α-helix	trans	-69	-24.3	-178.1	-148.3	171.7	-174.5	-169.6	2.7	113.9	K515	K515-R517 VanDerWaalsContact C-N 3.32Å; K515-R517 PolarHBondContact O-N 3.43Å
518	K	40.7	Very low	38.4	Very low	129 Å²	129	150.8 Å²	150.8	56%	0.561	75%	0.751	S	S	*	*	H	α-helix	trans	-82.7	-30	178.1	-84	162.3	175.2	155.7	0	114	E514 K515 K516	E514-K518 WeakPolarHBondContact OE1-CE 3.44Å; E514-K518 IonicContact OE1-NZ 2.66Å; E514-K518 PolarHBondContact OE1-NZ 2.86Å; E514-K518 IonicContact OE2-NZ 3.78Å; E514-K518 PolarHBondContact OE2-NZ 2.88Å; K515-K518 PolarHBondContact O-N 3.39Å; K516-K518 VanDerWaalsContact C-N 3.32Å; K516-K518 PolarHBondContact O-N 3.06Å
519	Q	42.8	Very low	38.5	Very low	161 Å²	161	159 Å²	159	75%	0.752	76%	0.759	S	S	*	*	H	α-helix	trans	-78.7	-42	177.5	-70.3	-172.2	-8.7	0	0	113	K516 K521 K522	K516-Q519 PolarHBondContact O-N 2.83Å; Q519-K521 PolarHBondContact O-N 2.93Å; Q519-K521 VanDerWaalsContact O-N 3.16Å; Q519-K522 PolarHBondContact O-N 3.3Å; Q519-K522 VanDerWaalsContact O-N 3.1Å
520	L	45.8	Very low	38.9	Very low	128 Å²	128	160.9 Å²	160.9	67%	0.67	76%	0.76	S	S	*	*	H	α-helix	trans	-62.4	-24.1	-179.7	-77	166.4	0	0	0	114.2	K516	K516-L520 PolarHBondContact O-N 3.18Å
521	K	39.6	Very low	38.8	Very low	158 Å²	158	161.1 Å²	161.1	69%	0.687	76%	0.761	S	S	*	*	H	α-helix	trans	-74.1	-28.2	174.6	-80.9	-170.9	173.2	-176.6	0	114.1	Q519	Q519-K521 PolarHBondContact O-N 2.93Å; Q519-K521 VanDerWaalsContact O-N 3.16Å
522	K	38.8	Very low	38.8	Very low	188 Å²	188	165.3 Å²	165.3	82%	0.817	77%	0.765	S	S	*	*	H	α-helix	trans	-74.3	-31	176.4	-94.4	-173.9	174.4	-179.8	0	112.9	Q519	Q519-K522 PolarHBondContact O-N 3.3Å; Q519-K522 VanDerWaalsContact O-N 3.1Å
523	A	39.7	Very low	38.5	Very low	79 Å²	79	162.6 Å²	162.6	65%	0.653	76%	0.76	S	S	*	*	H	α-helix	trans	-71.4	-28.3	177.6	0	0	0	0	0	113.7
524	K	37.8	Very low	38.2	Very low	187 Å²	187	165.6 Å²	165.6	81%	0.813	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-3.3	-170.2	-135.7	172.7	-174.9	177.6	0	115.8
525	M	33.3	Very low	37.8	Very low	176 Å²	176	165.6 Å²	165.6	87%	0.867	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	7.9	174.2	-63.9	-167.9	77.3	0	0	114.2
526	A	35.9	Very low	37.3	Very low	91 Å²	91	163.8 Å²	163.8	75%	0.752	78%	0.781	S	S	*	*	S	Bend	trans	-92.4	5	177.5	0	0	0	0	0	114.3
527	K	42.1	Very low	36.8	Very low	201 Å²	201	164.5 Å²	164.5	87%	0.874	79%	0.787	S	S	*	*	S	Bend	trans	-124.4	32.7	-172	-151.2	-168	174.9	180	0	115.5
528	D	42.8	Very low	36.4	Very low	144 Å²	144	161.5 Å²	161.5	77%	0.77	79%	0.791	S	S	*	*			trans	-154.8	107.3	146.1	-158.9	-16.9	0	0	0	112.5
529	R	30.4	Very low	36	Very low	242 Å²	242	164.9 Å²	164.9	91%	0.913	81%	0.805	S	S	*	*			trans	-160.8	94.8	155.8	-137.4	171.3	160.7	-177.4	-7.1	113	S531	R529-S531 PolarHBondContact O-N 2.81Å; R529-S531 VanDerWaalsContact O-N 3.11Å
530	K	35	Very low	35.8	Very low	204 Å²	204	166.1 Å²	166.1	89%	0.887	81%	0.808	S	S	*	*			trans	-43.4	104.8	175.4	-150.3	166.3	-170.2	166.7	0	113.4	R532	K530-R532 PolarHBondContact O-N 3.26Å
531	S	28.9	Very low	35.6	Very low	102 Å²	102	163.7 Å²	163.7	71%	0.713	82%	0.815	S	S	*	*			trans	-89	91.8	-175	57.6	0	0	0	0	113.4	R529 K533	R529-S531 PolarHBondContact O-N 2.81Å; R529-S531 VanDerWaalsContact O-N 3.11Å; S531-K533 PolarHBondContact O-N 3.47Å
532	R	34.6	Very low	36	Very low	250 Å²	250	165.6 Å²	165.6	94%	0.943	82%	0.823	S	S	*	*			trans	-74	83.4	175.9	-145.3	177.7	-178.3	-175.9	-1.1	110.6	K530	K530-R532 PolarHBondContact O-N 3.26Å
533	K	31.7	Very low	36.7	Very low	188 Å²	188	159.7 Å²	159.7	82%	0.817	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.1	132.1	173.5	-71.4	-174.3	177.4	179.8	0	110.5	S531	S531-K533 PolarHBondContact O-N 3.47Å
534	K	34.6	Very low	38	Very low	190 Å²	190	162 Å²	162	83%	0.826	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-75.3	155.9	171.2	-67.5	-176	177.5	-176.8	0	110.2
535	P	30.5	Very low	39.4	Very low	124 Å²	124	159.4 Å²	159.4	81%	0.805	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-59.4	148.5	170.6	-20.6	32.8	0	0	0	111.7
536	V	32.3	Very low	41.3	Very low	141 Å²	141	152.9 Å²	152.9	86%	0.855	78%	0.778	S	S	*	*			trans	-91.5	109.7	166.1	177.4	0	0	0	0	107.1
537	E	31	Very low	43	Very low	172 Å²	172	150.2 Å²	150.2	80%	0.804	75%	0.753	S	S	*	*			trans	-65.6	137.6	172.9	-74.3	-172.2	110	0	0	111.1	K539	E537-K539 PolarHBondContact O-N 3.46Å
538	V	36.1	Very low	44.7	Very low	136 Å²	136	150 Å²	150	82%	0.824	75%	0.752	S	S	*	*			trans	-60.7	129.2	166.4	179.5	0	0	0	0	108.3	K540	V538-K540 PolarHBondContact O-N 3.13Å
539	K	33.6	Very low	46.5	Very low	200 Å²	200	153.1 Å²	153.1	87%	0.87	75%	0.753	S	S	*	*			trans	-64.2	95.7	179.4	-69.8	175.7	-176.7	166.3	0	110.5	E537	E537-K539 PolarHBondContact O-N 3.46Å
540	K	38.1	Very low	48.9	Very low	187 Å²	187	144 Å²	144	81%	0.813	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-56	147.2	158.8	-71.9	178.5	177.2	172.4	0	109.2	V538 K542	V538-K540 PolarHBondContact O-N 3.13Å; K540-K542 PolarHBondContact O-N 3.27Å
541	G	41.5	Very low	51.3	Low	78 Å²	78	138.5 Å²	138.5	80%	0.804	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-52.7	133.8	177.4	0	0	0	0	0	111
542	K	46.8	Very low	54	Low	197 Å²	197	136.8 Å²	136.8	86%	0.857	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-73.1	134	176.9	-70.7	-178.6	178.2	178.2	0	109.3	K540 P544	K540-K542 PolarHBondContact O-N 3.27Å; K542-P544 WeakPolarHBondContact O-CD 3.15Å
543	D	54	Low	56.3	Low	64 Å²	64	125 Å²	125	34%	0.342	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-53.7	120.9	168.9	-178.4	-13.6	0	0	0	109.7	N545 A546 Y614	D543-N545 PolarHBondContact O-N 3.36Å; D543-N545 VanDerWaalsContact O-N 3.16Å; D543-N545 PolarHBondContact OD1-N 3.45Å; D543-A546 HydrophobicContact CB-CB 4.28Å; D543-A546 WeakPolarHBondContact O-CB 3.29Å; D543-A546 PolarHBondContact O-N 3.45Å; D543-A546 VanDerWaalsContact O-N 3.12Å; D543-Y614 PolarHBondContact OD2-OH 3.2Å
544	P	67	Low	58.7	Low	127 Å²	127	119 Å²	119	83%	0.825	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-26.2	-179.7	-26.9	36	0	0	0	114.2	K542	K542-P544 WeakPolarHBondContact O-CD 3.15Å
545	N	67.4	Low	61	Low	133 Å²	133	114.7 Å²	114.7	71%	0.711	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-0.1	-178.7	-72.1	-12.7	0	0	0	113.7	D543 Y614	D543-N545 PolarHBondContact O-N 3.36Å; D543-N545 VanDerWaalsContact O-N 3.16Å; D543-N545 PolarHBondContact OD1-N 3.45Å; N545-Y614 HydrophobicContact CB-CE2 4.4Å; N545-Y614 WeakPolarHBondContact O-CD2 3.36Å; N545-Y614 WeakPolarHBondContact O-CE2 3.39Å
546	A	73.6	Confident	63.5	Low	40 Å²	40	110.4 Å²	110.4	33%	0.331	57%	0.574	S	S	.	*	S	Bend	trans	-72.6	129.1	176.7	0	0	0	0	0	111.2	D543 K548 Y614	D543-A546 HydrophobicContact CB-CB 4.28Å; D543-A546 WeakPolarHBondContact O-CB 3.29Å; D543-A546 PolarHBondContact O-N 3.45Å; D543-A546 VanDerWaalsContact O-N 3.12Å; A546-K548 PolarHBondContact O-N 3.03Å; A546-Y614 HydrophobicContact CB-CE1 4.38Å; A546-Y614 HydrophobicContact CB-CE2 4.45Å
547	P	71.9	Confident	66.1	Low	34 Å²	34	104.3 Å²	104.3	22%	0.221	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-50.7	137.2	176.2	-30	36	0	0	0	113.2	Y607 A610 M611 Y614	P547-Y607 HydrophobicContact CB-CD2 4.03Å; P547-Y607 HydrophobicContact CB-CE2 3.87Å; P547-A610 HydrophobicContact CB-CB 4.36Å; P547-A610 HydrophobicContact CG-CB 4.22Å; P547-M611 HydrophobicContact CB-CG 4.41Å; P547-M611 HydrophobicContact CB-SD 4.16Å; P547-M611 HydrophobicContact CG-CG 4.47Å; P547-M611 HydrophobicContact CG-SD 4.03Å; P547-Y614 HydrophobicContact CG-CG 4.28Å
548	K	76.5	Confident	68.6	Low	197 Å²	197	97.2 Å²	97.2	86%	0.857	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-76.5	130.5	177.7	-68	176.5	-176.6	170.7	0	109.5	A546 Y607	A546-K548 PolarHBondContact O-N 3.03Å; K548-Y607 WeakPolarHBondContact O-CD2 3.5Å; K548-Y607 WeakPolarHBondContact O-CE2 3.19Å
549	R	80.5	Confident	70.9	Confident	210 Å²	210	94.9 Å²	94.9	79%	0.792	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-55.2	142.3	179.5	-70.5	-176.6	179.6	-174.6	-2.1	111.4	Y607	R549-Y607 HydrophobicContact CG-CE2 4.31Å
550	P	82.5	Confident	73.2	Confident	49 Å²	49	88 Å²	88	32%	0.318	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-68.2	148.4	-177.8	31.3	-35.6	0	0	0	110.3	A603 R604 Y607	P550-A603 HydrophobicContact CB-CB 4.27Å; P550-R604 HydrophobicContact CG-CB 4.38Å; P550-R604 HydrophobicContact CG-CG 4.36Å; P550-Y607 HydrophobicContact CG-CD1 4.3Å; P550-Y607 HydrophobicContact CG-CG 4.22Å
551	M	84.5	Confident	75.2	Confident	90 Å²	90	80 Å²	80	44%	0.443	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-81.8	145.1	176.6	-73.4	-178.8	-78.1	0	0	110.7	M555 L556 N559	M551-M555 HydrophobicContact CB-CB 4.09Å; M551-L556 HydrophobicContact CB-CD2 3.81Å; M551-L556 HydrophobicContact CB-CG 4.01Å; M551-L556 HydrophobicContact CE-CD2 3.99Å; M551-N559 PolarHBondContact SD-ND2 3.33Å; M551-N559 VanDerWaalsContact SD-ND2 3.45Å
552	S	85.1	Confident	77.1	Confident	66 Å²	66	80.4 Å²	80.4	46%	0.462	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69.1	156.2	173.9	178.4	0	0	0	0	111	Y554 M555 L556	S552-Y554 VanDerWaalsContact C-N 3.27Å; S552-Y554 PolarHBondContact O-N 3.45Å; S552-M555 WeakPolarHBondContact O-CA 3.35Å; S552-M555 WeakPolarHBondContact O-CB 3.37Å; S552-M555 PolarHBondContact O-N 2.87Å; S552-L556 PolarHBondContact O-N 3.39Å
553	A	82.9	Confident	78.7	Confident	2 Å²	2	78.7 Å²	78.7	2%	0.017	41%	0.407	C	S	.	.	H	α-helix	trans	-49.1	-46.6	178.3	0	0	0	0	0	112.9	M555 L556 W557 W585 W596 D597 A600	A553-M555 VanDerWaalsContact C-N 3.3Å; A553-M555 PolarHBondContact O-N 3.47Å; A553-L556 PolarHBondContact O-N 3.45Å; A553-W557 WeakPolarHBondContact O-CB 3.5Å; A553-W557 PolarHBondContact O-N 2.91Å; A553-W585 HydrophobicContact CB-CH2 4.08Å; A553-W585 HydrophobicContact CB-CZ2 4.41Å; A553-W596 HydrophobicContact CB-CB 4.02Å; A553-W596 WeakPolarHBondContact CB-O 3.5Å; A553-D597 HydrophobicContact CB-CB 4.45Å; A553-D597 WeakPolarHBondContact CB-OD1 3.45Å; A553-A600 HydrophobicContact CB-CB 3.89Å
554	Y	81.8	Confident	79.9	Confident	63 Å²	63	82.7 Å²	82.7	25%	0.247	42%	0.421	C	S	.	.	H	α-helix	trans	-56.6	-42.2	174.3	175.1	-120	0	0	0	112.3	S552 W557 L558 G582 W585	S552-Y554 VanDerWaalsContact C-N 3.27Å; S552-Y554 PolarHBondContact O-N 3.45Å; Y554-W557 AromaticContact CD2-CE3 3.94Å; Y554-W557 HydrophobicContact CD2-CE3 3.94Å; Y554-W557 HydrophobicContact CD2-CZ3 4.22Å; Y554-W557 AromaticContact CE2-CE3 3.97Å; Y554-W557 HydrophobicContact CE2-CE3 3.97Å; Y554-W557 AromaticContact CE2-CZ3 3.78Å; Y554-W557 HydrophobicContact CE2-CZ3 3.78Å; Y554-L558 HydrophobicContact CE1-CD2 4.45Å; Y554-L558 VanDerWaalsContact O-CB 3.23Å; Y554-L558 WeakPolarHBondContact O-CB 3.44Å; Y554-L558 PolarHBondContact O-N 2.83Å; Y554-G582 PolarHBondContact OH-N 3.29Å; Y554-W585 HydrophobicContact CD2-CB 3.75Å; Y554-W585 AromaticContact CD2-CD1 3.68Å; Y554-W585 AromaticContact CD2-CD2 3.61Å; Y554-W585 HydrophobicContact CD2-CD2 3.61Å; Y554-W585 HydrophobicContact CD2-CE3 4.15Å; Y554-W585 AromaticContact CD2-CG 3.39Å; Y554-W585 HydrophobicContact CD2-CG 3.39Å; Y554-W585 HydrophobicContact CE2-CB 3.64Å; Y554-W585 HydrophobicContact CE2-CD2 4.43Å; Y554-W585 AromaticContact CE2-CG 3.82Å; Y554-W585 HydrophobicContact CE2-CG 3.82Å; Y554-W585 HydrophobicContact CG-CD2 4.47Å; Y554-W585 HydrophobicContact CG-CG 4.44Å
555	M	83.3	Confident	80.4	Confident	98 Å²	98	77 Å²	77	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-73.3	-35.9	-178.5	-62.4	166.4	-178.1	0	0	112.4	M551 S552 A553 L558 N559	M551-M555 HydrophobicContact CB-CB 4.09Å; S552-M555 WeakPolarHBondContact O-CA 3.35Å; S552-M555 WeakPolarHBondContact O-CB 3.37Å; S552-M555 PolarHBondContact O-N 2.87Å; A553-M555 VanDerWaalsContact C-N 3.3Å; A553-M555 PolarHBondContact O-N 3.47Å; M555-L558 PolarHBondContact O-N 2.95Å; M555-N559 WeakPolarHBondContact O-CB 3.13Å; M555-N559 VanDerWaalsContact O-CG 3.23Å; M555-N559 PolarHBondContact O-N 2.91Å; M555-N559 PolarHBondContact O-ND2 2.82Å
556	L	83.4	Confident	81	Confident	35 Å²	35	77 Å²	77	18%	0.183	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-48.1	173	-67.7	175.1	0	0	0	110.7	M551 S552 A553 N559 A560 W596 K599 A600	M551-L556 HydrophobicContact CB-CD2 3.81Å; M551-L556 HydrophobicContact CB-CG 4.01Å; M551-L556 HydrophobicContact CE-CD2 3.99Å; S552-L556 PolarHBondContact O-N 3.39Å; A553-L556 PolarHBondContact O-N 3.45Å; L556-N559 PolarHBondContact O-N 2.92Å; L556-A560 PolarHBondContact O-N 2.97Å; L556-A560 VanDerWaalsContact O-N 3.13Å; L556-W596 HydrophobicContact CB-CE3 4.08Å; L556-W596 HydrophobicContact CB-CZ3 4.46Å; L556-K599 HydrophobicContact CD1-CB 4.28Å; L556-A600 HydrophobicContact CD1-CB 4Å
557	W	86.2	Confident	81.4	Confident	13 Å²	13	79.5 Å²	79.5	5%	0.049	39%	0.392	C	S	.	.	H	α-helix	trans	-62.5	-42.2	174.2	171	81.6	0	0	0	112.6	A553 Y554 N559 A560 S561 I565 A581 I584 W585 M588 W596	A553-W557 WeakPolarHBondContact O-CB 3.5Å; A553-W557 PolarHBondContact O-N 2.91Å; Y554-W557 AromaticContact CD2-CE3 3.94Å; Y554-W557 HydrophobicContact CD2-CE3 3.94Å; Y554-W557 HydrophobicContact CD2-CZ3 4.22Å; Y554-W557 AromaticContact CE2-CE3 3.97Å; Y554-W557 HydrophobicContact CE2-CE3 3.97Å; Y554-W557 AromaticContact CE2-CZ3 3.78Å; Y554-W557 HydrophobicContact CE2-CZ3 3.78Å; W557-N559 VanDerWaalsContact C-N 3.34Å; W557-N559 PolarHBondContact O-N 2.99Å; W557-A560 PolarHBondContact O-N 2.76Å; W557-S561 VanDerWaalsContact CE2-OG 3.26Å; W557-S561 PolarHBondContact NE1-OG 2.91Å; W557-S561 VanDerWaalsContact O-CB 3.25Å; W557-S561 WeakPolarHBondContact O-CB 3.31Å; W557-S561 PolarHBondContact O-N 3.45Å; W557-S561 PolarHBondContact O-OG 3.37Å; W557-I565 HydrophobicContact CH2-CD1 4.18Å; W557-A581 HydrophobicContact CH2-CB 4.15Å; W557-A581 WeakPolarHBondContact CH2-O 3.32Å; W557-A581 HydrophobicContact CZ3-CB 3.97Å; W557-A581 WeakPolarHBondContact CZ3-O 3.19Å; W557-I584 HydrophobicContact CH2-CB 4.02Å; W557-I584 HydrophobicContact CH2-CG2 4.02Å; W557-I584 HydrophobicContact CZ2-CB 4.21Å; W557-I584 HydrophobicContact CZ2-CG2 3.68Å; W557-W585 HydrophobicContact CB-CE3 3.89Å; W557-W585 HydrophobicContact CB-CZ3 3.52Å; W557-W585 AromaticContact CD2-CE3 3.51Å; W557-W585 HydrophobicContact CD2-CE3 3.51Å; W557-W585 HydrophobicContact CD2-CZ3 4.07Å; W557-W585 HydrophobicContact CE3-CB 4.1Å; W557-W585 HydrophobicContact CE3-CD2 4.32Å; W557-W585 AromaticContact CE3-CE3 3.65Å; W557-W585 HydrophobicContact CE3-CE3 3.65Å; W557-W585 HydrophobicContact CE3-CZ3 4.48Å; W557-W585 AromaticContact CG-CE3 3.6Å; W557-W585 HydrophobicContact CG-CE3 3.6Å; W557-W585 AromaticContact CG-CZ3 3.62Å; W557-W585 HydrophobicContact CG-CZ3 3.62Å; W557-W585 HydrophobicContact CH2-CB 4.14Å; W557-W585 HydrophobicContact CZ3-CB 3.77Å; W557-W585 HydrophobicContact CZ3-CE3 4.46Å; W557-M588 HydrophobicContact CD2-CE 4.03Å; W557-M588 HydrophobicContact CG-CE 4Å; W557-M588 HydrophobicContact CZ2-CE 4.31Å; W557-M588 VanDerWaalsContact NE1-CE 3.3Å; W557-W596 HydrophobicContact CB-CD2 3.81Å; W557-W596 HydrophobicContact CB-CE3 4.22Å; W557-W596 HydrophobicContact CB-CG 3.91Å; W557-W596 AromaticContact CD1-CD1 3.93Å; W557-W596 AromaticContact CD1-CE2 3.75Å; W557-W596 AromaticContact CD1-NE1 3.5Å
558	L	83.8	Confident	81.6	Confident	23 Å²	23	83 Å²	83	12%	0.12	41%	0.409	C	S	.	.	H	α-helix	trans	-59.5	-47.3	179.3	-149.9	-34.5	0	0	0	109.6	Y554 M555 A560 S561 R562 L577 A581	Y554-L558 HydrophobicContact CE1-CD2 4.45Å; Y554-L558 VanDerWaalsContact O-CB 3.23Å; Y554-L558 WeakPolarHBondContact O-CB 3.44Å; Y554-L558 PolarHBondContact O-N 2.83Å; M555-L558 PolarHBondContact O-N 2.95Å; L558-A560 PolarHBondContact O-N 2.79Å; L558-S561 PolarHBondContact O-N 3.19Å; L558-R562 HydrophobicContact CD1-CB 4.42Å; L558-R562 WeakPolarHBondContact O-CA 3.31Å; L558-R562 WeakPolarHBondContact O-CB 3.29Å; L558-R562 PolarHBondContact O-N 3.09Å; L558-L577 HydrophobicContact CD1-CD2 4.31Å; L558-A581 HydrophobicContact CD1-CB 3.77Å; L558-A581 HydrophobicContact CG-CB 4.18Å
559	N	83.5	Confident	81.5	Confident	87 Å²	87	77 Å²	77	47%	0.465	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-43.7	178.5	-70.8	-17.9	0	0	0	111.7	M551 M555 L556 W557 S561	M551-N559 PolarHBondContact SD-ND2 3.33Å; M551-N559 VanDerWaalsContact SD-ND2 3.45Å; M555-N559 WeakPolarHBondContact O-CB 3.13Å; M555-N559 VanDerWaalsContact O-CG 3.23Å; M555-N559 PolarHBondContact O-N 2.91Å; M555-N559 PolarHBondContact O-ND2 2.82Å; L556-N559 PolarHBondContact O-N 2.92Å; W557-N559 VanDerWaalsContact C-N 3.34Å; W557-N559 PolarHBondContact O-N 2.99Å; N559-S561 VanDerWaalsContact C-N 3.32Å; N559-S561 PolarHBondContact O-N 3.36Å
560	A	83	Confident	81.3	Confident	55 Å²	55	72.4 Å²	72.4	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-70.6	-24.2	178.1	0	0	0	0	0	114.1	L556 W557 L558 W596	L556-A560 PolarHBondContact O-N 2.97Å; L556-A560 VanDerWaalsContact O-N 3.13Å; W557-A560 PolarHBondContact O-N 2.76Å; L558-A560 PolarHBondContact O-N 2.79Å; A560-W596 HydrophobicContact CB-CH2 3.71Å; A560-W596 HydrophobicContact CB-CZ3 4.23Å
561	S	79.9	Confident	80.9	Confident	20 Å²	20	74 Å²	74	14%	0.14	41%	0.407	C	S	.	.	H	α-helix	trans	-102.5	-15	-176.5	-51.8	0	0	0	0	113.5	W557 L558 N559 E563 K564 I565	W557-S561 VanDerWaalsContact CE2-OG 3.26Å; W557-S561 PolarHBondContact NE1-OG 2.91Å; W557-S561 VanDerWaalsContact O-CB 3.25Å; W557-S561 WeakPolarHBondContact O-CB 3.31Å; W557-S561 PolarHBondContact O-N 3.45Å; W557-S561 PolarHBondContact O-OG 3.37Å; L558-S561 PolarHBondContact O-N 3.19Å; N559-S561 VanDerWaalsContact C-N 3.32Å; N559-S561 PolarHBondContact O-N 3.36Å; S561-E563 VanDerWaalsContact C-N 3.29Å; S561-E563 PolarHBondContact O-N 2.78Å; S561-K564 PolarHBondContact O-N 3.1Å; S561-I565 WeakPolarHBondContact O-CG1 3.44Å; S561-I565 PolarHBondContact O-N 3.34Å
562	R	80.9	Confident	80.6	Confident	86 Å²	86	71.9 Å²	71.9	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-57.6	-39.2	-177.1	178.4	173.9	-170.2	117.8	2.2	112.9	L558 K566 L577	L558-R562 HydrophobicContact CD1-CB 4.42Å; L558-R562 WeakPolarHBondContact O-CA 3.31Å; L558-R562 WeakPolarHBondContact O-CB 3.29Å; L558-R562 PolarHBondContact O-N 3.09Å; R562-K566 WeakPolarHBondContact O-CB 3.45Å; R562-K566 PolarHBondContact O-N 3.38Å; R562-L577 HydrophobicContact CG-CD1 4.28Å; R562-L577 HydrophobicContact CG-CD2 4.06Å
563	E	80.1	Confident	80.3	Confident	161 Å²	161	71.1 Å²	71.1	75%	0.752	39%	0.392	S	S	*	.	H	α-helix	trans	-72.1	-37.4	180	-63.6	-172.1	150.9	0	0	111.6	S561 K566 S567	S561-E563 VanDerWaalsContact C-N 3.29Å; S561-E563 PolarHBondContact O-N 2.78Å; E563-K566 PolarHBondContact O-N 2.86Å; E563-S567 WeakPolarHBondContact O-CB 3.26Å; E563-S567 PolarHBondContact O-N 2.78Å
564	K	79.5	Confident	79.9	Confident	147 Å²	147	76.7 Å²	76.7	64%	0.639	42%	0.42	S	S	*	.	H	α-helix	trans	-63.5	-54.9	172.9	-59.6	-170.6	177.7	-170.2	0	110.9	S561 K566 S567 D568	S561-K564 PolarHBondContact O-N 3.1Å; K564-K566 PolarHBondContact O-N 2.77Å; K564-S567 CarbonylContact O-C 3.59Å; K564-S567 WeakPolarHBondContact O-CA 3.27Å; K564-S567 WeakPolarHBondContact O-CB 3.4Å; K564-S567 PolarHBondContact O-N 3.32Å; K564-D568 PolarHBondContact O-N 3.44Å; K564-D568 VanDerWaalsContact O-OD2 3.06Å
565	I	78	Confident	79.8	Confident	7 Å²	7	78 Å²	78	4%	0.036	44%	0.435	C	S	.	.	H	α-helix	trans	-57.8	-29	177.9	-62.8	166.2	0	0	0	112.3	W557 S561 H569 L577 A581 I584	W557-I565 HydrophobicContact CH2-CD1 4.18Å; S561-I565 WeakPolarHBondContact O-CG1 3.44Å; S561-I565 PolarHBondContact O-N 3.34Å; I565-H569 WeakPolarHBondContact O-CB 3.34Å; I565-H569 PolarHBondContact O-N 2.76Å; I565-L577 HydrophobicContact CG2-CD1 4.27Å; I565-L577 HydrophobicContact CG2-CG 3.99Å; I565-A581 HydrophobicContact CD1-CB 4.04Å; I565-I584 HydrophobicContact CD1-CD1 3.95Å; I565-I584 HydrophobicContact CG1-CD1 4.05Å
566	K	80.3	Confident	79.6	Confident	133 Å²	133	76.2 Å²	76.2	58%	0.578	43%	0.427	S	S	*	.	H	α-helix	trans	-80.7	-30.4	173.9	-169.9	-169.5	174.6	-159.7	0	113.1	R562 E563 K564 H569 P570 L577	R562-K566 WeakPolarHBondContact O-CB 3.45Å; R562-K566 PolarHBondContact O-N 3.38Å; E563-K566 PolarHBondContact O-N 2.86Å; K564-K566 PolarHBondContact O-N 2.77Å; K566-H569 CarbonylContact O-C 3.53Å; K566-H569 VanDerWaalsContact O-C 3.25Å; K566-P570 WeakPolarHBondContact O-CA 3.33Å; K566-L577 HydrophobicContact CB-CD1 4.12Å
567	S	80.6	Confident	79.4	Confident	93 Å²	93	74.8 Å²	74.8	65%	0.65	42%	0.42	S	S	*	.	H	α-helix	trans	-73.5	-40.1	173.8	-167.1	0	0	0	0	111.6	E563 K564 H569	E563-S567 WeakPolarHBondContact O-CB 3.26Å; E563-S567 PolarHBondContact O-N 2.78Å; K564-S567 CarbonylContact O-C 3.59Å; K564-S567 WeakPolarHBondContact O-CA 3.27Å; K564-S567 WeakPolarHBondContact O-CB 3.4Å; K564-S567 PolarHBondContact O-N 3.32Å; S567-H569 PolarHBondContact O-N 2.93Å
568	D	77.6	Confident	79.2	Confident	108 Å²	108	76.6 Å²	76.6	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-70.2	-24.8	177.4	-52.6	-31.6	0	0	0	111.4	K564	K564-D568 PolarHBondContact O-N 3.44Å; K564-D568 VanDerWaalsContact O-OD2 3.06Å
569	H	74.4	Confident	79.2	Confident	72 Å²	72	81.1 Å²	81.1	33%	0.333	45%	0.453	S	S	.	.	S	Bend	trans	-135.4	72.7	-179.9	-57.3	-38.7	0	0	0	111.8	I565 K566 S567 G571 I572 K580	I565-H569 WeakPolarHBondContact O-CB 3.34Å; I565-H569 PolarHBondContact O-N 2.76Å; K566-H569 CarbonylContact O-C 3.53Å; K566-H569 VanDerWaalsContact O-C 3.25Å; S567-H569 PolarHBondContact O-N 2.93Å; H569-G571 PolarHBondContact O-N 2.93Å; H569-I572 HydrophobicContact CB-CB 4.19Å; H569-I572 HydrophobicContact CB-CD1 4.37Å; H569-I572 HydrophobicContact CB-CG2 4.2Å; H569-I572 WeakPolarHBondContact O-CB 3.45Å; H569-I572 WeakPolarHBondContact O-CG2 3.22Å; H569-I572 PolarHBondContact O-N 2.92Å; H569-K580 PolarHBondContact CD2-NZ 3.04Å; H569-K580 PolarHBondContact CE1-NZ 2.86Å; H569-K580 VanDerWaalsContact CE1-NZ 3.32Å; H569-K580 PolarHBondContact NE2-NZ 3.47Å
570	P	75.1	Confident	79.1	Confident	112 Å²	112	80.5 Å²	80.5	73%	0.727	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	137.8	177.3	25.7	-34.1	0	0	0	110.9	K566	K566-P570 WeakPolarHBondContact O-CA 3.33Å
571	G	74.4	Confident	79	Confident	84 Å²	84	77.9 Å²	77.9	87%	0.866	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-5.5	-179.2	0	0	0	0	0	116.3	H569	H569-G571 PolarHBondContact O-N 2.93Å
572	I	78.3	Confident	79.2	Confident	45 Å²	45	78.3 Å²	78.3	23%	0.231	43%	0.431	C	S	.	.			trans	-60.8	137.8	-179.4	-166.3	169.4	0	0	0	113.2	H569 D576 L577 K580	H569-I572 HydrophobicContact CB-CB 4.19Å; H569-I572 HydrophobicContact CB-CD1 4.37Å; H569-I572 HydrophobicContact CB-CG2 4.2Å; H569-I572 WeakPolarHBondContact O-CB 3.45Å; H569-I572 WeakPolarHBondContact O-CG2 3.22Å; H569-I572 PolarHBondContact O-N 2.92Å; I572-D576 HydrophobicContact CD1-CB 4.28Å; I572-D576 HydrophobicContact CG1-CB 4.06Å; I572-L577 HydrophobicContact CD1-CB 4.45Å; I572-L577 HydrophobicContact CG2-CB 4.1Å; I572-L577 HydrophobicContact CG2-CD1 4.04Å; I572-K580 HydrophobicContact CD1-CD 3.97Å
573	S	78.6	Confident	79.3	Confident	50 Å²	50	80.2 Å²	80.2	35%	0.35	44%	0.444	S	S	.	.			trans	-64.5	151.3	176.8	106.8	0	0	0	0	111.8	T575 D576 L577	S573-T575 PolarHBondContact O-N 3.11Å; S573-T575 PolarHBondContact OG-N 2.86Å; S573-D576 WeakPolarHBondContact CB-OD2 3.23Å; S573-D576 PolarHBondContact O-N 2.85Å; S573-D576 VanDerWaalsContact O-N 3.16Å; S573-D576 PolarHBondContact OG-N 3.16Å; S573-D576 VanDerWaalsContact OG-N 3.13Å; S573-D576 PolarHBondContact OG-OD2 2.97Å; S573-L577 WeakPolarHBondContact O-CB 3.5Å; S573-L577 PolarHBondContact O-N 3.49Å
574	I	74.7	Confident	79.5	Confident	118 Å²	118	76.3 Å²	76.3	61%	0.605	43%	0.428	S	S	*	.	H	α-helix	trans	-61.2	-32.3	176.8	-64.2	176	0	0	0	111.5	S578	I574-S578 WeakPolarHBondContact O-CB 3.17Å; I574-S578 PolarHBondContact O-N 3.42Å; I574-S578 PolarHBondContact O-OG 3.38Å
575	T	79.2	Confident	79.7	Confident	92 Å²	92	71.6 Å²	71.6	56%	0.564	41%	0.406	S	S	*	.	H	α-helix	trans	-66.7	-43	176.8	-55.1	0	0	0	0	111.3	S573 S578 K579	S573-T575 PolarHBondContact O-N 3.11Å; S573-T575 PolarHBondContact OG-N 2.86Å; T575-S578 WeakPolarHBondContact O-CB 3.42Å; T575-S578 PolarHBondContact O-N 3.08Å; T575-K579 PolarHBondContact O-N 2.83Å
576	D	79.5	Confident	79.9	Confident	59 Å²	59	79.5 Å²	79.5	32%	0.316	44%	0.44	S	S	.	.	H	α-helix	trans	-85	-30.6	-173.8	-56.5	-60.3	0	0	0	112.5	I572 S573 S578 K579 K580	I572-D576 HydrophobicContact CD1-CB 4.28Å; I572-D576 HydrophobicContact CG1-CB 4.06Å; S573-D576 WeakPolarHBondContact CB-OD2 3.23Å; S573-D576 PolarHBondContact O-N 2.85Å; S573-D576 VanDerWaalsContact O-N 3.16Å; S573-D576 PolarHBondContact OG-N 3.16Å; S573-D576 VanDerWaalsContact OG-N 3.13Å; S573-D576 PolarHBondContact OG-OD2 2.97Å; D576-S578 PolarHBondContact O-N 3.35Å; D576-K579 WeakPolarHBondContact O-CB 3.37Å; D576-K579 PolarHBondContact O-N 3.37Å; D576-K579 VanDerWaalsContact O-N 3.1Å; D576-K579 WeakPolarHBondContact OD1-CE 3.4Å; D576-K579 IonicContact OD1-NZ 3.02Å; D576-K579 PolarHBondContact OD1-NZ 3.32Å; D576-K580 PolarHBondContact O-N 2.85Å
577	L	80.8	Confident	79.9	Confident	6 Å²	6	76.4 Å²	76.4	3%	0.031	45%	0.446	C	S	.	.	H	α-helix	trans	-57.1	-38.4	164.2	-176.4	148.2	0	0	0	110.9	L558 R562 I565 K566 I572 S573 K579 A581	L558-L577 HydrophobicContact CD1-CD2 4.31Å; R562-L577 HydrophobicContact CG-CD1 4.28Å; R562-L577 HydrophobicContact CG-CD2 4.06Å; I565-L577 HydrophobicContact CG2-CD1 4.27Å; I565-L577 HydrophobicContact CG2-CG 3.99Å; K566-L577 HydrophobicContact CB-CD1 4.12Å; I572-L577 HydrophobicContact CD1-CB 4.45Å; I572-L577 HydrophobicContact CG2-CB 4.1Å; I572-L577 HydrophobicContact CG2-CD1 4.04Å; S573-L577 WeakPolarHBondContact O-CB 3.5Å; S573-L577 PolarHBondContact O-N 3.49Å; L577-K579 VanDerWaalsContact C-N 3.33Å; L577-K579 PolarHBondContact O-N 3.34Å; L577-A581 WeakPolarHBondContact O-CB 3.25Å; L577-A581 PolarHBondContact O-N 3.1Å
578	S	80.4	Confident	80	Confident	50 Å²	50	73.8 Å²	73.8	35%	0.35	42%	0.424	S	S	.	.	H	α-helix	trans	-69.8	-27.7	177.4	-57	0	0	0	0	113	I574 T575 D576 G582	I574-S578 WeakPolarHBondContact O-CB 3.17Å; I574-S578 PolarHBondContact O-N 3.42Å; I574-S578 PolarHBondContact O-OG 3.38Å; T575-S578 WeakPolarHBondContact O-CB 3.42Å; T575-S578 PolarHBondContact O-N 3.08Å; D576-S578 PolarHBondContact O-N 3.35Å; S578-G582 PolarHBondContact O-N 2.93Å
579	K	83.9	Confident	80.1	Confident	118 Å²	118	70.9 Å²	70.9	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-72	-55.9	171.4	-63.5	171.2	-171.5	164.2	0	110.8	T575 D576 L577 A581 G582 E583	T575-K579 PolarHBondContact O-N 2.83Å; D576-K579 WeakPolarHBondContact O-CB 3.37Å; D576-K579 PolarHBondContact O-N 3.37Å; D576-K579 VanDerWaalsContact O-N 3.1Å; D576-K579 WeakPolarHBondContact OD1-CE 3.4Å; D576-K579 IonicContact OD1-NZ 3.02Å; D576-K579 PolarHBondContact OD1-NZ 3.32Å; L577-K579 VanDerWaalsContact C-N 3.33Å; L577-K579 PolarHBondContact O-N 3.34Å; K579-A581 VanDerWaalsContact C-N 3.28Å; K579-A581 PolarHBondContact O-N 2.84Å; K579-G582 WeakPolarHBondContact O-CA 3.4Å; K579-G582 PolarHBondContact O-N 2.8Å; K579-E583 PolarHBondContact O-N 2.95Å
580	K	80.9	Confident	80.2	Confident	75 Å²	75	76 Å²	76	33%	0.326	43%	0.433	S	S	.	.	H	α-helix	trans	-55.7	-41.4	178.3	-82.7	-167.2	169.9	-176.4	0	112.4	H569 I572 D576 G582 E583 I584	H569-K580 PolarHBondContact CD2-NZ 3.04Å; H569-K580 PolarHBondContact CE1-NZ 2.86Å; H569-K580 VanDerWaalsContact CE1-NZ 3.32Å; H569-K580 PolarHBondContact NE2-NZ 3.47Å; I572-K580 HydrophobicContact CD1-CD 3.97Å; D576-K580 PolarHBondContact O-N 2.85Å; K580-G582 VanDerWaalsContact C-N 3.32Å; K580-G582 PolarHBondContact O-N 2.94Å; K580-E583 PolarHBondContact O-N 3.23Å; K580-I584 VanDerWaalsContact O-CG1 3.28Å; K580-I584 WeakPolarHBondContact O-CG1 3.45Å; K580-I584 PolarHBondContact O-N 3.47Å
581	A	82.7	Confident	80.3	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-37	175.4	0	0	0	0	0	112.5	W557 L558 I565 L577 K579 W585	W557-A581 HydrophobicContact CH2-CB 4.15Å; W557-A581 WeakPolarHBondContact CH2-O 3.32Å; W557-A581 HydrophobicContact CZ3-CB 3.97Å; W557-A581 WeakPolarHBondContact CZ3-O 3.19Å; L558-A581 HydrophobicContact CD1-CB 3.77Å; L558-A581 HydrophobicContact CG-CB 4.18Å; I565-A581 HydrophobicContact CD1-CB 4.04Å; L577-A581 WeakPolarHBondContact O-CB 3.25Å; L577-A581 PolarHBondContact O-N 3.1Å; K579-A581 VanDerWaalsContact C-N 3.28Å; K579-A581 PolarHBondContact O-N 2.84Å; A581-W585 VanDerWaalsContact O-CB 3.3Å; A581-W585 WeakPolarHBondContact O-CB 3.44Å; A581-W585 PolarHBondContact O-N 3.16Å
582	G	83.2	Confident	80.4	Confident	28 Å²	28	79.4 Å²	79.4	29%	0.289	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-37.9	173.8	0	0	0	0	0	113.1	Y554 S578 K579 K580 K586	Y554-G582 PolarHBondContact OH-N 3.29Å; S578-G582 PolarHBondContact O-N 2.93Å; K579-G582 WeakPolarHBondContact O-CA 3.4Å; K579-G582 PolarHBondContact O-N 2.8Å; K580-G582 VanDerWaalsContact C-N 3.32Å; K580-G582 PolarHBondContact O-N 2.94Å; G582-K586 WeakPolarHBondContact O-CB 3.4Å; G582-K586 PolarHBondContact O-N 3.29Å
583	E	83.5	Confident	80.5	Confident	127 Å²	127	79.3 Å²	79.3	59%	0.593	41%	0.413	S	S	*	.	H	α-helix	trans	-69.2	-48.2	177.1	-69	163.5	169.2	0	0	111.8	K579 K580 W585 K586 G587	K579-E583 PolarHBondContact O-N 2.95Å; K580-E583 PolarHBondContact O-N 3.23Å; E583-W585 PolarHBondContact O-N 2.9Å; E583-K586 WeakPolarHBondContact O-CB 3.3Å; E583-K586 PolarHBondContact O-N 3.38Å; E583-K586 VanDerWaalsContact O-N 3.14Å; E583-G587 PolarHBondContact O-N 2.95Å
584	I	83.2	Confident	80.8	Confident	79 Å²	79	83.3 Å²	83.3	41%	0.405	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.7	-62.4	162.2	0	0	0	110.4	W557 I565 K580 K586 G587 M588	W557-I584 HydrophobicContact CH2-CB 4.02Å; W557-I584 HydrophobicContact CH2-CG2 4.02Å; W557-I584 HydrophobicContact CZ2-CB 4.21Å; W557-I584 HydrophobicContact CZ2-CG2 3.68Å; I565-I584 HydrophobicContact CD1-CD1 3.95Å; I565-I584 HydrophobicContact CG1-CD1 4.05Å; K580-I584 VanDerWaalsContact O-CG1 3.28Å; K580-I584 WeakPolarHBondContact O-CG1 3.45Å; K580-I584 PolarHBondContact O-N 3.47Å; I584-K586 VanDerWaalsContact C-N 3.34Å; I584-K586 PolarHBondContact O-N 3.02Å; I584-G587 PolarHBondContact O-N 3.01Å; I584-M588 WeakPolarHBondContact O-CG 3.43Å; I584-M588 PolarHBondContact O-N 3.27Å
585	W	83.8	Confident	81.2	Confident	48 Å²	48	82.2 Å²	82.2	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-43	173.3	178.7	-100.4	0	0	0	111.8	A553 Y554 W557 A581 E583 G587 M588 K593 W596	A553-W585 HydrophobicContact CB-CH2 4.08Å; A553-W585 HydrophobicContact CB-CZ2 4.41Å; Y554-W585 HydrophobicContact CD2-CB 3.75Å; Y554-W585 AromaticContact CD2-CD1 3.68Å; Y554-W585 AromaticContact CD2-CD2 3.61Å; Y554-W585 HydrophobicContact CD2-CD2 3.61Å; Y554-W585 HydrophobicContact CD2-CE3 4.15Å; Y554-W585 AromaticContact CD2-CG 3.39Å; Y554-W585 HydrophobicContact CD2-CG 3.39Å; Y554-W585 HydrophobicContact CE2-CB 3.64Å; Y554-W585 HydrophobicContact CE2-CD2 4.43Å; Y554-W585 AromaticContact CE2-CG 3.82Å; Y554-W585 HydrophobicContact CE2-CG 3.82Å; Y554-W585 HydrophobicContact CG-CD2 4.47Å; Y554-W585 HydrophobicContact CG-CG 4.44Å; W557-W585 HydrophobicContact CB-CE3 3.89Å; W557-W585 HydrophobicContact CB-CZ3 3.52Å; W557-W585 AromaticContact CD2-CE3 3.51Å; W557-W585 HydrophobicContact CD2-CE3 3.51Å; W557-W585 HydrophobicContact CD2-CZ3 4.07Å; W557-W585 HydrophobicContact CE3-CB 4.1Å; W557-W585 HydrophobicContact CE3-CD2 4.32Å; W557-W585 AromaticContact CE3-CE3 3.65Å; W557-W585 HydrophobicContact CE3-CE3 3.65Å; W557-W585 HydrophobicContact CE3-CZ3 4.48Å; W557-W585 AromaticContact CG-CE3 3.6Å; W557-W585 HydrophobicContact CG-CE3 3.6Å; W557-W585 AromaticContact CG-CZ3 3.62Å; W557-W585 HydrophobicContact CG-CZ3 3.62Å; W557-W585 HydrophobicContact CH2-CB 4.14Å; W557-W585 HydrophobicContact CZ3-CB 3.77Å; W557-W585 HydrophobicContact CZ3-CE3 4.46Å; A581-W585 VanDerWaalsContact O-CB 3.3Å; A581-W585 WeakPolarHBondContact O-CB 3.44Å; A581-W585 PolarHBondContact O-N 3.16Å; E583-W585 PolarHBondContact O-N 2.9Å; W585-G587 VanDerWaalsContact C-N 3.3Å; W585-G587 PolarHBondContact O-N 3.08Å; W585-M588 HydrophobicContact CD2-CE 4.21Å; W585-M588 HydrophobicContact CE3-CE 3.26Å; W585-M588 HydrophobicContact CZ3-CE 3.56Å; W585-M588 PolarHBondContact O-N 3.33Å; W585-K593 HydrophobicContact CH2-CB 4.39Å; W585-K593 HydrophobicContact CH2-CG 4.12Å; W585-K593 HydrophobicContact CZ2-CG 4.13Å; W585-K593 HydrophobicContact CZ3-CG 4.43Å; W585-K593 WeakPolarHBondContact O-CE 3.46Å; W585-K593 PolarHBondContact O-NZ 2.88Å; W585-W596 HydrophobicContact CH2-CB 4.03Å; W585-W596 HydrophobicContact CZ3-CB 4.22Å; W585-W596 AromaticContact CZ3-CD1 4Å; W585-W596 HydrophobicContact CZ3-CG 4.25Å
586	K	83.9	Confident	81.5	Confident	172 Å²	172	80 Å²	80	75%	0.748	40%	0.4	S	S	*	.	H	α-helix	trans	-58.9	-43.6	176	-168	-179.3	178.7	-170.3	0	110.9	G582 E583 I584 K593	G582-K586 WeakPolarHBondContact O-CB 3.4Å; G582-K586 PolarHBondContact O-N 3.29Å; E583-K586 WeakPolarHBondContact O-CB 3.3Å; E583-K586 PolarHBondContact O-N 3.38Å; E583-K586 VanDerWaalsContact O-N 3.14Å; I584-K586 VanDerWaalsContact C-N 3.34Å; I584-K586 PolarHBondContact O-N 3.02Å; K586-K593 PolarHBondContact O-NZ 3.29Å
587	G	79.5	Confident	81.7	Confident	69 Å²	69	81.4 Å²	81.4	71%	0.711	41%	0.407	S	S	*	.	H	α-helix	trans	-73.5	-21.1	-178.9	0	0	0	0	0	117.2	E583 I584 W585	E583-G587 PolarHBondContact O-N 2.95Å; I584-G587 PolarHBondContact O-N 3.01Å; W585-G587 VanDerWaalsContact C-N 3.3Å; W585-G587 PolarHBondContact O-N 3.08Å
588	M	81.8	Confident	81.9	Confident	37 Å²	37	89.2 Å²	89.2	18%	0.182	44%	0.436	C	S	.	.	S	Bend	trans	-61.3	149.2	-178.2	-79.1	-158.2	-62.7	0	0	114.3	W557 I584 W585 K592 K593	W557-M588 HydrophobicContact CD2-CE 4.03Å; W557-M588 HydrophobicContact CG-CE 4Å; W557-M588 HydrophobicContact CZ2-CE 4.31Å; W557-M588 VanDerWaalsContact NE1-CE 3.3Å; I584-M588 WeakPolarHBondContact O-CG 3.43Å; I584-M588 PolarHBondContact O-N 3.27Å; W585-M588 HydrophobicContact CD2-CE 4.21Å; W585-M588 HydrophobicContact CE3-CE 3.26Å; W585-M588 HydrophobicContact CZ3-CE 3.56Å; W585-M588 PolarHBondContact O-N 3.33Å; M588-K592 HydrophobicContact SD-CB 4.24Å; M588-K593 HydrophobicContact CB-CG 4.37Å; M588-K593 WeakPolarHBondContact O-CE 3.46Å; M588-K593 PolarHBondContact O-NZ 3.33Å
589	S	81.3	Confident	82.1	Confident	48 Å²	48	90.1 Å²	90.1	34%	0.336	43%	0.434	S	S	.	.			trans	-62.3	160.6	174.6	74	0	0	0	0	112.4	E591 K592 K593	S589-E591 PolarHBondContact OG-OE2 3.08Å; S589-K592 PolarHBondContact O-N 3.45Å; S589-K593 PolarHBondContact O-N 3.33Å
590	K	76.4	Confident	82.2	Confident	179 Å²	179	85 Å²	85	78%	0.778	41%	0.414	S	S	*	.	H	α-helix	trans	-61.5	-45.1	179.9	-69.2	-179.2	-179.2	175	0	111.5	K592 K593 E594	K590-K592 VanDerWaalsContact C-N 3.31Å; K590-K592 PolarHBondContact O-N 3.11Å; K590-K593 WeakPolarHBondContact O-CB 3.25Å; K590-K593 PolarHBondContact O-N 3.22Å; K590-E594 WeakPolarHBondContact O-CB 3.27Å; K590-E594 PolarHBondContact O-N 2.82Å
591	E	75.9	Confident	82.3	Confident	140 Å²	140	86.3 Å²	86.3	65%	0.654	42%	0.421	S	S	*	.	H	α-helix	trans	-60	-42.1	-179	-47.1	118.8	166.1	0	0	111.6	S589 K593 E594 E595	S589-E591 PolarHBondContact OG-OE2 3.08Å; E591-K593 VanDerWaalsContact C-N 3.31Å; E591-K593 PolarHBondContact O-N 3.03Å; E591-E594 PolarHBondContact O-N 3.27Å; E591-E595 PolarHBondContact O-N 3.19Å; E591-E595 VanDerWaalsContact O-N 3.12Å
592	K	76.8	Confident	82.4	Confident	127 Å²	127	88.7 Å²	88.7	55%	0.552	43%	0.434	S	S	*	.	H	α-helix	trans	-67	-31.2	178.2	-72.1	-179.5	179.4	176.8	0	112.3	M588 S589 K590	M588-K592 HydrophobicContact SD-CB 4.24Å; S589-K592 PolarHBondContact O-N 3.45Å; K590-K592 VanDerWaalsContact C-N 3.31Å; K590-K592 PolarHBondContact O-N 3.11Å
593	K	81.2	Confident	82.4	Confident	44 Å²	44	88.6 Å²	88.6	19%	0.191	43%	0.43	C	S	.	.	H	α-helix	trans	-72.5	-43.8	172.5	-74.7	161.5	171.2	152.8	0	111.6	W585 K586 M588 S589 K590 E591 E595 W596 D597	W585-K593 HydrophobicContact CH2-CB 4.39Å; W585-K593 HydrophobicContact CH2-CG 4.12Å; W585-K593 HydrophobicContact CZ2-CG 4.13Å; W585-K593 HydrophobicContact CZ3-CG 4.43Å; W585-K593 WeakPolarHBondContact O-CE 3.46Å; W585-K593 PolarHBondContact O-NZ 2.88Å; K586-K593 PolarHBondContact O-NZ 3.29Å; M588-K593 HydrophobicContact CB-CG 4.37Å; M588-K593 WeakPolarHBondContact O-CE 3.46Å; M588-K593 PolarHBondContact O-NZ 3.33Å; S589-K593 PolarHBondContact O-N 3.33Å; K590-K593 WeakPolarHBondContact O-CB 3.25Å; K590-K593 PolarHBondContact O-N 3.22Å; E591-K593 VanDerWaalsContact C-N 3.31Å; E591-K593 PolarHBondContact O-N 3.03Å; K593-E595 PolarHBondContact O-N 3.18Å; K593-W596 CarbonylContact O-C 3.58Å; K593-W596 WeakPolarHBondContact O-CA 3.17Å; K593-W596 PolarHBondContact O-N 3.44Å; K593-D597 PolarHBondContact O-N 2.86Å
594	E	83.8	Confident	82.4	Confident	134 Å²	134	87.6 Å²	87.6	63%	0.626	42%	0.421	S	S	*	.	H	α-helix	trans	-58.6	-34.6	179.9	-170.7	166.8	-167.7	0	0	112.5	K590 E591 W596 D597 R598	K590-E594 WeakPolarHBondContact O-CB 3.27Å; K590-E594 PolarHBondContact O-N 2.82Å; E591-E594 PolarHBondContact O-N 3.27Å; E594-W596 VanDerWaalsContact C-N 3.32Å; E594-W596 PolarHBondContact O-N 2.73Å; E594-D597 PolarHBondContact O-N 3.34Å; E594-R598 WeakPolarHBondContact O-CB 3.49Å; E594-R598 PolarHBondContact O-N 2.88Å
595	E	83.9	Confident	82.5	Confident	94 Å²	94	89.5 Å²	89.5	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-58.9	-39	170.6	-157.9	-154.3	153.1	0	0	113	E591 K593 K599	E591-E595 PolarHBondContact O-N 3.19Å; E591-E595 VanDerWaalsContact O-N 3.12Å; K593-E595 PolarHBondContact O-N 3.18Å; E595-K599 VanDerWaalsContact CD-NZ 3.34Å; E595-K599 WeakPolarHBondContact O-CD 3.28Å; E595-K599 VanDerWaalsContact O-CG 3.28Å; E595-K599 WeakPolarHBondContact O-CG 3.26Å; E595-K599 PolarHBondContact O-N 2.85Å; E595-K599 VanDerWaalsContact OE1-CE 3.24Å; E595-K599 WeakPolarHBondContact OE1-CE 3.48Å; E595-K599 IonicContact OE1-NZ 3.87Å; E595-K599 PolarHBondContact OE1-NZ 3.28Å
596	W	85.5	Confident	82.5	Confident	46 Å²	46	92.9 Å²	92.9	17%	0.174	44%	0.441	C	S	.	.	H	α-helix	trans	-82.4	-31.9	177.6	-62.6	104.2	0	0	0	112.9	A553 L556 W557 A560 W585 K593 E594 K599 A600	A553-W596 HydrophobicContact CB-CB 4.02Å; A553-W596 WeakPolarHBondContact CB-O 3.5Å; L556-W596 HydrophobicContact CB-CE3 4.08Å; L556-W596 HydrophobicContact CB-CZ3 4.46Å; W557-W596 HydrophobicContact CB-CD2 3.81Å; W557-W596 HydrophobicContact CB-CE3 4.22Å; W557-W596 HydrophobicContact CB-CG 3.91Å; W557-W596 AromaticContact CD1-CD1 3.93Å; W557-W596 AromaticContact CD1-CE2 3.75Å; W557-W596 AromaticContact CD1-NE1 3.5Å; A560-W596 HydrophobicContact CB-CH2 3.71Å; A560-W596 HydrophobicContact CB-CZ3 4.23Å; W585-W596 HydrophobicContact CH2-CB 4.03Å; W585-W596 HydrophobicContact CZ3-CB 4.22Å; W585-W596 AromaticContact CZ3-CD1 4Å; W585-W596 HydrophobicContact CZ3-CG 4.25Å; K593-W596 CarbonylContact O-C 3.58Å; K593-W596 WeakPolarHBondContact O-CA 3.17Å; K593-W596 PolarHBondContact O-N 3.44Å; E594-W596 VanDerWaalsContact C-N 3.32Å; E594-W596 PolarHBondContact O-N 2.73Å; W596-K599 HydrophobicContact CD2-CD 4.29Å; W596-K599 HydrophobicContact CE3-CD 3.65Å; W596-K599 HydrophobicContact CZ3-CD 3.85Å; W596-K599 PolarHBondContact O-N 3.22Å; W596-A600 WeakPolarHBondContact O-CB 3.3Å; W596-A600 PolarHBondContact O-N 2.93Å
597	D	82.4	Confident	82.6	Confident	88 Å²	88	87.3 Å²	87.3	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-40.8	172.2	-73.9	-48.3	0	0	0	110.8	A553 K593 E594 A600 E601	A553-D597 HydrophobicContact CB-CB 4.45Å; A553-D597 WeakPolarHBondContact CB-OD1 3.45Å; K593-D597 PolarHBondContact O-N 2.86Å; E594-D597 PolarHBondContact O-N 3.34Å; D597-A600 PolarHBondContact O-N 3.42Å; D597-E601 WeakPolarHBondContact O-CB 3.42Å; D597-E601 PolarHBondContact O-N 3.21Å
598	R	86.1	Confident	82.7	Confident	171 Å²	171	88.5 Å²	88.5	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-61.3	-46.7	171.7	-160.4	-179	83.3	-161.2	3.1	112	E594 A600 E601 D602	E594-R598 WeakPolarHBondContact O-CB 3.49Å; E594-R598 PolarHBondContact O-N 2.88Å; R598-A600 VanDerWaalsContact C-N 3.28Å; R598-A600 PolarHBondContact O-N 3.47Å; R598-E601 WeakPolarHBondContact O-CB 3.41Å; R598-E601 PolarHBondContact O-N 2.88Å; R598-E601 VanDerWaalsContact O-N 3.13Å; R598-D602 PolarHBondContact O-N 3.06Å
599	K	83.7	Confident	82.9	Confident	69 Å²	69	92.9 Å²	92.9	30%	0.3	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-35.9	175.1	-69.9	167	-168.5	170	0	112.6	L556 E595 W596 A603	L556-K599 HydrophobicContact CD1-CB 4.28Å; E595-K599 VanDerWaalsContact CD-NZ 3.34Å; E595-K599 WeakPolarHBondContact O-CD 3.28Å; E595-K599 VanDerWaalsContact O-CG 3.28Å; E595-K599 WeakPolarHBondContact O-CG 3.26Å; E595-K599 PolarHBondContact O-N 2.85Å; E595-K599 VanDerWaalsContact OE1-CE 3.24Å; E595-K599 WeakPolarHBondContact OE1-CE 3.48Å; E595-K599 IonicContact OE1-NZ 3.87Å; E595-K599 PolarHBondContact OE1-NZ 3.28Å; W596-K599 HydrophobicContact CD2-CD 4.29Å; W596-K599 HydrophobicContact CE3-CD 3.65Å; W596-K599 HydrophobicContact CZ3-CD 3.85Å; W596-K599 PolarHBondContact O-N 3.22Å; K599-A603 WeakPolarHBondContact O-CB 3.37Å; K599-A603 PolarHBondContact O-N 3.4Å
600	A	86.1	Confident	82.8	Confident	10 Å²	10	92.4 Å²	92.4	8%	0.083	42%	0.42	C	S	.	.	H	α-helix	trans	-73.6	-29.6	176	0	0	0	0	0	112.9	A553 L556 W596 D597 R598 R604	A553-A600 HydrophobicContact CB-CB 3.89Å; L556-A600 HydrophobicContact CD1-CB 4Å; W596-A600 WeakPolarHBondContact O-CB 3.3Å; W596-A600 PolarHBondContact O-N 2.93Å; D597-A600 PolarHBondContact O-N 3.42Å; R598-A600 VanDerWaalsContact C-N 3.28Å; R598-A600 PolarHBondContact O-N 3.47Å; A600-R604 WeakPolarHBondContact O-CB 3.09Å; A600-R604 PolarHBondContact O-N 2.96Å; A600-R604 VanDerWaalsContact O-N 3.11Å
601	E	84.5	Confident	83.1	Confident	102 Å²	102	85.7 Å²	85.7	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-72.3	-41.4	171.5	-172.3	138.6	-86.3	0	0	112.2	D597 R598 R604 R605	D597-E601 WeakPolarHBondContact O-CB 3.42Å; D597-E601 PolarHBondContact O-N 3.21Å; R598-E601 WeakPolarHBondContact O-CB 3.41Å; R598-E601 PolarHBondContact O-N 2.88Å; R598-E601 VanDerWaalsContact O-N 3.13Å; E601-R604 WeakPolarHBondContact O-CB 3.39Å; E601-R604 PolarHBondContact O-N 3.28Å; E601-R604 IonicContact OE1-CZ 3.55Å; E601-R604 VanDerWaalsContact OE1-CZ 3.26Å; E601-R604 IonicContact OE1-NH1 3.27Å; E601-R604 PolarHBondContact OE1-NH1 3.34Å; E601-R604 IonicContact OE1-NH2 2.7Å; E601-R604 PolarHBondContact OE1-NH2 2.89Å; E601-R605 VanDerWaalsContact O-CB 3.3Å; E601-R605 WeakPolarHBondContact O-CB 3.33Å; E601-R605 PolarHBondContact O-N 3.05Å
602	D	84.5	Confident	83.4	Confident	50 Å²	50	85.7 Å²	85.7	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-48.1	172.8	-72.6	-36.4	0	0	0	111.6	R598 R604 R605 E606	R598-D602 PolarHBondContact O-N 3.06Å; D602-R604 PolarHBondContact O-N 3.45Å; D602-R605 WeakPolarHBondContact O-CB 3.18Å; D602-R605 PolarHBondContact O-N 2.92Å; D602-R605 VanDerWaalsContact O-N 3.16Å; D602-R605 IonicContact OD1-CZ 2.84Å; D602-R605 IonicContact OD1-NE 3.69Å; D602-R605 PolarHBondContact OD1-NE 3.11Å; D602-R605 IonicContact OD1-NH2 3.62Å; D602-R605 PolarHBondContact OD1-NH2 3.37Å; D602-E606 WeakPolarHBondContact O-CG 3.45Å; D602-E606 PolarHBondContact O-N 2.95Å
603	A	83.4	Confident	83.5	Confident	27 Å²	27	87 Å²	87	22%	0.223	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-31.7	174.3	0	0	0	0	0	113.1	P550 K599 Y607	P550-A603 HydrophobicContact CB-CB 4.27Å; K599-A603 WeakPolarHBondContact O-CB 3.37Å; K599-A603 PolarHBondContact O-N 3.4Å; A603-Y607 WeakPolarHBondContact O-CB 3.46Å; A603-Y607 PolarHBondContact O-N 2.89Å
604	R	83	Confident	83.4	Confident	105 Å²	105	87 Å²	87	40%	0.396	40%	0.397	S	S	.	.	H	α-helix	trans	-70.4	-45.1	174.5	-164.4	-164.9	-41	137.7	11.9	111.5	P550 A600 E601 D602 E606 Y607 E608	P550-R604 HydrophobicContact CG-CB 4.38Å; P550-R604 HydrophobicContact CG-CG 4.36Å; A600-R604 WeakPolarHBondContact O-CB 3.09Å; A600-R604 PolarHBondContact O-N 2.96Å; A600-R604 VanDerWaalsContact O-N 3.11Å; E601-R604 WeakPolarHBondContact O-CB 3.39Å; E601-R604 PolarHBondContact O-N 3.28Å; E601-R604 IonicContact OE1-CZ 3.55Å; E601-R604 VanDerWaalsContact OE1-CZ 3.26Å; E601-R604 IonicContact OE1-NH1 3.27Å; E601-R604 PolarHBondContact OE1-NH1 3.34Å; E601-R604 IonicContact OE1-NH2 2.7Å; E601-R604 PolarHBondContact OE1-NH2 2.89Å; D602-R604 PolarHBondContact O-N 3.45Å; R604-E606 VanDerWaalsContact C-N 3.3Å; R604-E606 PolarHBondContact O-N 2.87Å; R604-Y607 PolarHBondContact O-N 2.86Å; R604-E608 WeakPolarHBondContact O-CG 3.28Å; R604-E608 PolarHBondContact O-N 2.67Å
605	R	85.6	Confident	82.8	Confident	119 Å²	119	86.6 Å²	86.6	45%	0.449	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-35.2	177	-178.3	173.4	62.3	79.6	7.5	111.9	E601 D602 K609	E601-R605 VanDerWaalsContact O-CB 3.3Å; E601-R605 WeakPolarHBondContact O-CB 3.33Å; E601-R605 PolarHBondContact O-N 3.05Å; D602-R605 WeakPolarHBondContact O-CB 3.18Å; D602-R605 PolarHBondContact O-N 2.92Å; D602-R605 VanDerWaalsContact O-N 3.16Å; D602-R605 IonicContact OD1-CZ 2.84Å; D602-R605 IonicContact OD1-NE 3.69Å; D602-R605 PolarHBondContact OD1-NE 3.11Å; D602-R605 IonicContact OD1-NH2 3.62Å; D602-R605 PolarHBondContact OD1-NH2 3.37Å; R605-K609 WeakPolarHBondContact O-CG 3.33Å; R605-K609 PolarHBondContact O-N 3.24Å
606	E	83.3	Confident	82.1	Confident	119 Å²	119	84.5 Å²	84.5	56%	0.556	40%	0.398	S	S	*	.	H	α-helix	trans	-73.1	-45.7	172.4	-72.4	175.8	176.2	0	0	112.4	D602 R604 E608 K609 A610	D602-E606 WeakPolarHBondContact O-CG 3.45Å; D602-E606 PolarHBondContact O-N 2.95Å; R604-E606 VanDerWaalsContact C-N 3.3Å; R604-E606 PolarHBondContact O-N 2.87Å; E606-E608 VanDerWaalsContact C-N 3.28Å; E606-E608 PolarHBondContact O-N 3.22Å; E606-K609 WeakPolarHBondContact O-CB 3.37Å; E606-K609 PolarHBondContact O-N 3.13Å; E606-K609 VanDerWaalsContact O-N 3.08Å; E606-A610 PolarHBondContact O-N 3.18Å
607	Y	85.1	Confident	80.9	Confident	56 Å²	56	84.3 Å²	84.3	22%	0.22	41%	0.41	C	S	.	.	H	α-helix	trans	-58.1	-39.1	173.7	172.4	-96.4	0	0	0	112.4	P547 K548 R549 P550 A603 R604 K609 A610 M611	P547-Y607 HydrophobicContact CB-CD2 4.03Å; P547-Y607 HydrophobicContact CB-CE2 3.87Å; K548-Y607 WeakPolarHBondContact O-CD2 3.5Å; K548-Y607 WeakPolarHBondContact O-CE2 3.19Å; R549-Y607 HydrophobicContact CG-CE2 4.31Å; P550-Y607 HydrophobicContact CG-CD1 4.3Å; P550-Y607 HydrophobicContact CG-CG 4.22Å; A603-Y607 WeakPolarHBondContact O-CB 3.46Å; A603-Y607 PolarHBondContact O-N 2.89Å; R604-Y607 PolarHBondContact O-N 2.86Å; Y607-K609 VanDerWaalsContact C-N 3.33Å; Y607-K609 PolarHBondContact O-N 2.89Å; Y607-A610 PolarHBondContact O-N 2.63Å; Y607-M611 HydrophobicContact CD1-CG 4.06Å; Y607-M611 HydrophobicContact CD2-CG 4.27Å; Y607-M611 HydrophobicContact CE1-CG 3.56Å; Y607-M611 HydrophobicContact CE2-CG 3.82Å; Y607-M611 HydrophobicContact CE2-SD 4.22Å; Y607-M611 HydrophobicContact CG-CG 4.39Å; Y607-M611 VanDerWaalsContact CZ-CG 3.43Å; Y607-M611 VanDerWaalsContact O-CB 3.32Å; Y607-M611 WeakPolarHBondContact O-CB 3.48Å; Y607-M611 WeakPolarHBondContact O-CG 3.3Å; Y607-M611 PolarHBondContact O-N 3.4Å
608	E	83	Confident	79.5	Confident	93 Å²	93	86.8 Å²	86.8	44%	0.435	41%	0.413	S	S	.	.	H	α-helix	trans	-66.9	-30.6	175.8	-78.3	-176.9	-148.5	0	0	113.5	R604 E606 K612	R604-E608 WeakPolarHBondContact O-CG 3.28Å; R604-E608 PolarHBondContact O-N 2.67Å; E606-E608 VanDerWaalsContact C-N 3.28Å; E606-E608 PolarHBondContact O-N 3.22Å; E608-K612 VanDerWaalsContact O-CD 3.3Å; E608-K612 WeakPolarHBondContact O-CD 3.44Å; E608-K612 VanDerWaalsContact O-CG 3.25Å; E608-K612 WeakPolarHBondContact O-CG 3.48Å; E608-K612 PolarHBondContact O-N 2.97Å
609	K	85.1	Confident	77.7	Confident	129 Å²	129	80.4 Å²	80.4	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-68.8	-52.2	169.9	-71.5	174.9	176.1	-174.5	0	110.6	R605 E606 Y607 M611 K612 E613	R605-K609 WeakPolarHBondContact O-CG 3.33Å; R605-K609 PolarHBondContact O-N 3.24Å; E606-K609 WeakPolarHBondContact O-CB 3.37Å; E606-K609 PolarHBondContact O-N 3.13Å; E606-K609 VanDerWaalsContact O-N 3.08Å; Y607-K609 VanDerWaalsContact C-N 3.33Å; Y607-K609 PolarHBondContact O-N 2.89Å; K609-M611 VanDerWaalsContact C-N 3.27Å; K609-M611 PolarHBondContact O-N 2.85Å; K609-K612 PolarHBondContact O-N 3.27Å; K609-K612 VanDerWaalsContact O-N 3.08Å; K609-E613 PolarHBondContact O-N 3.45Å
610	A	80.6	Confident	76	Confident	38 Å²	38	84.5 Å²	84.5	31%	0.314	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-34.4	-179.6	0	0	0	0	0	112.9	P547 E606 Y607 Y614	P547-A610 HydrophobicContact CB-CB 4.36Å; P547-A610 HydrophobicContact CG-CB 4.22Å; E606-A610 PolarHBondContact O-N 3.18Å; Y607-A610 PolarHBondContact O-N 2.63Å; A610-Y614 VanDerWaalsContact O-CB 3.29Å; A610-Y614 WeakPolarHBondContact O-CB 3.4Å; A610-Y614 PolarHBondContact O-N 2.91Å
611	M	81.8	Confident	74	Confident	39 Å²	39	87.4 Å²	87.4	19%	0.192	44%	0.441	C	S	.	.	H	α-helix	trans	-66.9	-42.9	172.6	-84.2	-62.9	-50.3	0	0	112.7	P547 Y607 K609 E613 Y614 E615	P547-M611 HydrophobicContact CB-CG 4.41Å; P547-M611 HydrophobicContact CB-SD 4.16Å; P547-M611 HydrophobicContact CG-CG 4.47Å; P547-M611 HydrophobicContact CG-SD 4.03Å; Y607-M611 HydrophobicContact CD1-CG 4.06Å; Y607-M611 HydrophobicContact CD2-CG 4.27Å; Y607-M611 HydrophobicContact CE1-CG 3.56Å; Y607-M611 HydrophobicContact CE2-CG 3.82Å; Y607-M611 HydrophobicContact CE2-SD 4.22Å; Y607-M611 HydrophobicContact CG-CG 4.39Å; Y607-M611 VanDerWaalsContact CZ-CG 3.43Å; Y607-M611 VanDerWaalsContact O-CB 3.32Å; Y607-M611 WeakPolarHBondContact O-CB 3.48Å; Y607-M611 WeakPolarHBondContact O-CG 3.3Å; Y607-M611 PolarHBondContact O-N 3.4Å; K609-M611 VanDerWaalsContact C-N 3.27Å; K609-M611 PolarHBondContact O-N 2.85Å; M611-E613 VanDerWaalsContact C-N 3.29Å; M611-E613 PolarHBondContact O-N 3.14Å; M611-Y614 HydrophobicContact CE-CD1 4.38Å; M611-Y614 PolarHBondContact O-N 3.03Å; M611-Y614 HydrophobicContact SD-CD1 4.45Å; M611-E615 HydrophobicContact CE-CG 4.24Å; M611-E615 WeakPolarHBondContact CE-OE1 3.24Å; M611-E615 WeakPolarHBondContact O-CB 2.78Å; M611-E615 WeakPolarHBondContact O-CG 3.35Å; M611-E615 PolarHBondContact O-N 3.02Å
612	K	82.5	Confident	72	Confident	140 Å²	140	85.9 Å²	85.9	61%	0.609	44%	0.441	S	S	*	.	H	α-helix	trans	-64	-36.5	176.3	-73.4	164.2	-173.4	159.2	0	111.6	E608 K609 G616	E608-K612 VanDerWaalsContact O-CD 3.3Å; E608-K612 WeakPolarHBondContact O-CD 3.44Å; E608-K612 VanDerWaalsContact O-CG 3.25Å; E608-K612 WeakPolarHBondContact O-CG 3.48Å; E608-K612 PolarHBondContact O-N 2.97Å; K609-K612 PolarHBondContact O-N 3.27Å; K609-K612 VanDerWaalsContact O-N 3.08Å; K612-G616 PolarHBondContact O-N 3.02Å
613	E	79.4	Confident	69.9	Low	154 Å²	154	91.4 Å²	91.4	72%	0.72	46%	0.463	S	S	*	.	H	α-helix	trans	-69.6	-45.4	175.2	-169.6	168.9	-167.1	0	0	112.3	K609 M611 E615 G616 G617	K609-E613 PolarHBondContact O-N 3.45Å; M611-E613 VanDerWaalsContact C-N 3.29Å; M611-E613 PolarHBondContact O-N 3.14Å; E613-E615 PolarHBondContact O-N 2.65Å; E613-G616 PolarHBondContact O-N 3.42Å; E613-G617 PolarHBondContact O-N 2.73Å
614	Y	78.2	Confident	67.8	Low	45 Å²	45	100.2 Å²	100.2	18%	0.176	49%	0.49	C	S	.	.	H	α-helix	trans	-61.2	-40.8	173.6	171.7	-101.9	0	0	0	112.4	D543 N545 A546 P547 A610 M611 R618	D543-Y614 PolarHBondContact OD2-OH 3.2Å; N545-Y614 HydrophobicContact CB-CE2 4.4Å; N545-Y614 WeakPolarHBondContact O-CD2 3.36Å; N545-Y614 WeakPolarHBondContact O-CE2 3.39Å; A546-Y614 HydrophobicContact CB-CE1 4.38Å; A546-Y614 HydrophobicContact CB-CE2 4.45Å; P547-Y614 HydrophobicContact CG-CG 4.28Å; A610-Y614 VanDerWaalsContact O-CB 3.29Å; A610-Y614 WeakPolarHBondContact O-CB 3.4Å; A610-Y614 PolarHBondContact O-N 2.91Å; M611-Y614 HydrophobicContact CE-CD1 4.38Å; M611-Y614 PolarHBondContact O-N 3.03Å; M611-Y614 HydrophobicContact SD-CD1 4.45Å; Y614-R618 PolarHBondContact O-N 3.31Å; Y614-R618 PolarHBondContact OH-NH1 3.44Å
615	E	71.5	Confident	65.8	Low	125 Å²	125	101.2 Å²	101.2	58%	0.584	50%	0.504	S	S	*	.	H	α-helix	trans	-68.1	-36.3	174.2	-73.3	-179.7	170.7	0	0	112.1	M611 E613 R618	M611-E615 HydrophobicContact CE-CG 4.24Å; M611-E615 WeakPolarHBondContact CE-OE1 3.24Å; M611-E615 WeakPolarHBondContact O-CB 2.78Å; M611-E615 WeakPolarHBondContact O-CG 3.35Å; M611-E615 PolarHBondContact O-N 3.02Å; E613-E615 PolarHBondContact O-N 2.65Å; E615-R618 WeakPolarHBondContact O-CB 3.45Å; E615-R618 PolarHBondContact O-N 3.27Å
616	G	68.5	Low	63.5	Low	50 Å²	50	104.1 Å²	104.1	52%	0.515	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-53.1	171.8	0	0	0	0	0	113.1	K612 E613 R618 G619	K612-G616 PolarHBondContact O-N 3.02Å; E613-G616 PolarHBondContact O-N 3.42Å; G616-R618 PolarHBondContact O-N 2.9Å; G616-R618 VanDerWaalsContact O-N 3.17Å; G616-G619 WeakPolarHBondContact O-CA 3.45Å; G616-G619 PolarHBondContact O-N 2.89Å
617	G	61	Low	61.2	Low	41 Å²	41	102.1 Å²	102.1	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-62.1	-22.6	178	0	0	0	0	0	114.1	E613 G619 E620 S621	E613-G617 PolarHBondContact O-N 2.73Å; G617-G619 PolarHBondContact O-N 3.07Å; G617-E620 PolarHBondContact O-N 3.34Å; G617-S621 PolarHBondContact O-N 3.12Å; G617-S621 PolarHBondContact O-OG 3.1Å
618	R	53.2	Low	58.9	Low	140 Å²	140	108 Å²	108	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-67.9	-23.2	171.9	-143	170.8	-168.1	157.6	10.9	113	Y614 E615 G616 S621 S622	Y614-R618 PolarHBondContact O-N 3.31Å; Y614-R618 PolarHBondContact OH-NH1 3.44Å; E615-R618 WeakPolarHBondContact O-CB 3.45Å; E615-R618 PolarHBondContact O-N 3.27Å; G616-R618 PolarHBondContact O-N 2.9Å; G616-R618 VanDerWaalsContact O-N 3.17Å; R618-S621 WeakPolarHBondContact CA-OG 3.49Å; R618-S621 PolarHBondContact O-OG 2.84Å; R618-S622 WeakPolarHBondContact O-CB 3.21Å; R618-S622 PolarHBondContact O-N 3.37Å; R618-S622 PolarHBondContact O-OG 2.88Å
619	G	48.3	Very low	56.7	Low	38 Å²	38	113.2 Å²	113.2	39%	0.392	57%	0.567	S	S	.	*	H	α-helix	trans	-74.2	-27	175.3	0	0	0	0	0	114.8	G616 G617 S622	G616-G619 WeakPolarHBondContact O-CA 3.45Å; G616-G619 PolarHBondContact O-N 2.89Å; G617-G619 PolarHBondContact O-N 3.07Å; G619-S622 PolarHBondContact O-OG 3.38Å
620	E	47.1	Very low	54.1	Low	155 Å²	155	116.4 Å²	116.4	72%	0.724	58%	0.581	S	S	*	*	H	α-helix	trans	-91	-45.3	176.6	-80.3	-164.3	92.3	0	0	113.1	G617 S622 K623 R624	G617-E620 PolarHBondContact O-N 3.34Å; E620-S622 VanDerWaalsContact C-N 3.26Å; E620-S622 PolarHBondContact O-N 3.5Å; E620-K623 WeakPolarHBondContact O-CB 3.41Å; E620-K623 PolarHBondContact O-N 3.49Å; E620-R624 PolarHBondContact O-N 3.16Å
621	S	45	Very low	51.7	Low	70 Å²	70	123.6 Å²	123.6	49%	0.49	61%	0.605	S	S	.	*	H	α-helix	trans	-56.2	-40.7	177.5	47	0	0	0	0	112.2	G617 R618 K623 R624 D625	G617-S621 PolarHBondContact O-N 3.12Å; G617-S621 PolarHBondContact O-OG 3.1Å; R618-S621 WeakPolarHBondContact CA-OG 3.49Å; R618-S621 PolarHBondContact O-OG 2.84Å; S621-K623 VanDerWaalsContact C-N 3.26Å; S621-K623 PolarHBondContact O-N 3.11Å; S621-R624 PolarHBondContact O-N 3.45Å; S621-R624 VanDerWaalsContact O-N 3.07Å; S621-D625 PolarHBondContact O-N 3.43Å
622	S	42.2	Very low	49.2	Very low	70 Å²	70	131.2 Å²	131.2	49%	0.49	64%	0.637	S	S	.	*	H	α-helix	trans	-68.4	-15.2	176.8	59.4	0	0	0	0	115.3	R618 G619 E620	R618-S622 WeakPolarHBondContact O-CB 3.21Å; R618-S622 PolarHBondContact O-N 3.37Å; R618-S622 PolarHBondContact O-OG 2.88Å; G619-S622 PolarHBondContact O-OG 3.38Å; E620-S622 VanDerWaalsContact C-N 3.26Å; E620-S622 PolarHBondContact O-N 3.5Å
623	K	39.5	Very low	46.7	Very low	167 Å²	167	131 Å²	131	73%	0.726	65%	0.647	S	S	*	*	H	α-helix	trans	-85.2	-27.7	168.4	-74.8	177.5	178.7	171.3	0	112.8	E620 S621	E620-K623 WeakPolarHBondContact O-CB 3.41Å; E620-K623 PolarHBondContact O-N 3.49Å; S621-K623 VanDerWaalsContact C-N 3.26Å; S621-K623 PolarHBondContact O-N 3.11Å
624	R	39.6	Very low	44.1	Very low	212 Å²	212	133.3 Å²	133.3	80%	0.8	65%	0.654	S	S	*	*	H	α-helix	trans	-78.7	-33.2	-173.1	-137.5	167.8	-175.3	170	-0.2	113	E620 S621 S627	E620-R624 PolarHBondContact O-N 3.16Å; S621-R624 PolarHBondContact O-N 3.45Å; S621-R624 VanDerWaalsContact O-N 3.07Å; R624-S627 PolarHBondContact O-OG 3.28Å
625	D	42.5	Very low	41.8	Very low	126 Å²	126	138.2 Å²	138.2	67%	0.674	69%	0.689	S	S	*	*	H	α-helix	trans	-83.1	-33.6	-176.8	-137.4	-17.4	0	0	0	114.2	S621 S627 K628	S621-D625 PolarHBondContact O-N 3.43Å; D625-S627 PolarHBondContact O-N 3.44Å; D625-K628 PolarHBondContact O-N 2.87Å
626	K	37.2	Very low	39.7	Very low	180 Å²	180	141.1 Å²	141.1	78%	0.783	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-11.8	174.6	-78.4	-177.6	176.1	176	0	114
627	S	33.7	Very low	37.6	Very low	77 Å²	77	146.2 Å²	146.2	54%	0.538	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-17.9	-179	74.3	0	0	0	0	114.9	R624 D625	R624-S627 PolarHBondContact O-OG 3.28Å; D625-S627 PolarHBondContact O-N 3.44Å
628	K	37.6	Very low	36	Very low	180 Å²	180	150.7 Å²	150.7	78%	0.783	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-28.8	178.9	-79.2	-174.2	175	-179.9	0	114.3	D625	D625-K628 PolarHBondContact O-N 2.87Å
629	K	35.6	Very low	34.8	Very low	202 Å²	202	151.9 Å²	151.9	88%	0.878	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	8.9	-172.8	-143.8	169.5	-175	175.9	0	115.8
630	K	31.2	Very low	33.8	Very low	196 Å²	196	158.9 Å²	158.9	85%	0.852	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	32	172.7	-88.2	-164.8	171.9	-171.4	0	113.5
631	K	30.3	Very low	32.8	Very low	189 Å²	189	156.7 Å²	156.7	82%	0.822	75%	0.752	S	S	*	*			trans	-122.3	31.7	179.9	-136.7	179.1	-175.5	-175.3	0	115.8
632	K	30	Very low	31.9	Very low	199 Å²	199	159.6 Å²	159.6	87%	0.865	77%	0.767	S	S	*	*	S	Bend	trans	-130.4	146.6	149.1	-78.1	-168.2	174.9	-175.6	0	108.3
633	V	29.1	Very low	31.6	Very low	136 Å²	136	161.3 Å²	161.3	82%	0.824	78%	0.777	S	S	*	*	S	Bend	trans	61.3	67.9	175.6	-163.3	0	0	0	0	116.1
634	K	24.9	Very low	30.9	Very low	201 Å²	201	158.3 Å²	158.3	87%	0.874	78%	0.776	S	S	*	*				-176.7	117.7	104.6	-102.3	174.4	-179.5	179.2	0	111.8
635	V	29.7	Very low	30.3	Very low	149 Å²	149	160.4 Å²	160.4	90%	0.903	78%	0.784	S	S	*	*			trans	-86.6	112.2	158	172.9	0	0	0	0	107.3
636	K	26.6	Very low	29.4	Very low	186 Å²	186	157.2 Å²	157.2	81%	0.809	78%	0.781	S	S	*	*			trans	-167.7	139.1	148.5	-112.9	177.6	-179.5	-174.6	0	110.1
637	M	25	Very low	28.9	Very low	156 Å²	156	154.6 Å²	154.6	77%	0.768	79%	0.786	S	S	*	*			trans	6.9	142.7	150.2	-72.5	149	145.8	0	0	119.8
638	E	27.8	Very low	28.5	Very low	135 Å²	135	155.9 Å²	155.9	63%	0.631	80%	0.795	S	S	*	*			cis	-164.9	-159.6	-14.6	-136.7	-171.2	128.6	0	0	111.4
639	K	28	Very low	27.9	Very low	166 Å²	166	152 Å²	152	72%	0.722	79%	0.791	S	S	*	*			trans	-50.7	164.9	175.9	-56.7	150.2	-172	149.5	0	112.6
640	K	27.5	Very low	27.4	Very low	185 Å²	185	151.7 Å²	151.7	80%	0.804	79%	0.789	S	S	*	*			cis	-170.2	163.2	35.4	-151	169.9	-174	-177.2	0	113.2
641	S	26	Very low	27.1	Very low	108 Å²	108	147 Å²	147	76%	0.755	78%	0.781	S	S	*	*			trans	57.7	113.8	149.6	49.2	0	0	0	0	123.8
642	T	26	Very low	26.8	Very low	132 Å²	132	143.7 Å²	143.7	81%	0.81	78%	0.782	S	S	*	*			trans	-71.1	-175.2	148.7	44.1	0	0	0	0	113.8
643	P	36.8	Very low	26.6	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	78%	0.776	S	S	*	*			cis	-142.1	176	-29.2	32.5	-10.7	0	0	0	117.3
644	S	24.3	Very low	26.5	Very low	103 Å²	103	143 Å²	143	72%	0.72	78%	0.775	S	S	*	*			trans	58	123.1	136.9	65.7	0	0	0	0	124.9
645	R	26.1	Very low	26.6	Very low	256 Å²	256	141.2 Å²	141.2	97%	0.966	77%	0.77	S	S	*	*				173.7	151.5	124.9	-96.9	170.4	171.6	-171.3	-3.6	108.5
646	G	25	Very low	26.5	Very low	59 Å²	59	142.6 Å²	142.6	61%	0.608	77%	0.771	S	S	*	*			cis	154.3	127.7	-12.2	0	0	0	0	0	112.5
647	S	26.1	Very low	26.4	Very low	126 Å²	126	137.7 Å²	137.7	88%	0.881	76%	0.76	S	S	*	*			trans	63.4	155.6	172.9	25.8	0	0	0	0	117.9
648	S	25.1	Very low	26.5	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	76%	0.764	S	S	*	*			cis	-167.4	152.1	-15.3	46.7	0	0	0	0	114.3
649	S	25	Very low	26.4	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	77%	0.765	S	S	*	*			trans	68.4	133.1	140.5	63.8	0	0	0	0	125.3
650	K	25.9	Very low	26.2	Very low	194 Å²	194	136.6 Å²	136.6	84%	0.843	76%	0.764	S	S	*	*			trans	79.5	87.2	137.4	-76.7	-178.2	175.3	-177.7	0	123.3
651	S	24.8	Very low	26.4	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	76%	0.763	S	S	*	*				51.9	122.4	111.6	63.9	0	0	0	0	124.2
652	S	24.3	Very low	26.8	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	76%	0.759	S	S	*	*			trans	75.5	150.1	146.9	82	0	0	0	0	118.2
653	S	24.9	Very low	27.4	Very low	106 Å²	106	137 Å²	137	74%	0.741	75%	0.753	S	S	*	*			cis	-154	160.1	6.1	87	0	0	0	0	114.6
654	R	26.4	Very low	27.2	Very low	214 Å²	214	138.5 Å²	138.5	81%	0.808	75%	0.751	S	S	*	*			trans	30.8	128	153.8	-77.2	-178.4	170.3	158	-2.2	123.6
655	Q	27.7	Very low	27.4	Very low	164 Å²	164	141.5 Å²	141.5	77%	0.766	75%	0.751	S	S	*	*			trans	59.4	121.1	132.2	-64.1	175.5	-102.4	0	0	121.6
656	L	26.7	Very low	27.8	Very low	177 Å²	177	134.4 Å²	134.4	93%	0.927	74%	0.736	S	S	*	*				-160.3	-178.3	126.8	-108.1	160.1	0	0	0	110.6
657	S	24.5	Very low	28	Very low	83 Å²	83	136.3 Å²	136.3	58%	0.58	74%	0.74	S	S	*	*			trans	-113.3	178.3	-160.8	48.4	0	0	0	0	115.2
658	E	27.4	Very low	28.2	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	73%	0.726	S	S	*	*			trans	71.4	154.8	158.6	-85.6	157.8	-126.8	0	0	117.8
659	S	25.4	Very low	28.4	Very low	93 Å²	93	135.9 Å²	135.9	65%	0.65	73%	0.726	S	S	*	*			cis	-158.2	150.8	-13.1	-154.3	0	0	0	0	113.1
660	F	25.5	Very low	28.6	Very low	162 Å²	162	138.8 Å²	138.8	71%	0.711	73%	0.729	S	S	*	*			trans	50.8	131.1	142.1	-93.7	-121.3	0	0	0	125.3
661	K	29.8	Very low	28.7	Very low	178 Å²	178	133.9 Å²	133.9	77%	0.774	72%	0.719	S	S	*	*			trans	67.5	151.5	135.9	-93.5	-173.7	-163	171.8	0	119.5
662	S	35.3	Very low	28.9	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	73%	0.725	S	S	*	*			cis	-149.4	-164.7	-0.5	-49.7	0	0	0	0	109.1
663	K	37.8	Very low	29.1	Very low	159 Å²	159	134.5 Å²	134.5	69%	0.691	72%	0.723	S	S	*	*			cis	-166	165.1	-9.3	-136.3	179.5	161.5	-152.1	0	109
664	E	32.7	Very low	29.3	Very low	137 Å²	137	133 Å²	133	64%	0.64	72%	0.724	S	S	*	*			trans	65.5	151.2	146.9	-78	163.7	175.4	0	0	121.6
665	F	28.4	Very low	29.3	Very low	166 Å²	166	131.6 Å²	131.6	73%	0.728	73%	0.727	S	S	*	*			cis	-143.2	127.7	10.6	-155.6	-110.1	0	0	0	112.2
666	V	34.6	Very low	29.3	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.655	73%	0.725	S	S	*	*			trans	52.6	129.9	138.4	175.1	0	0	0	0	120
667	S	29.9	Very low	29.4	Very low	99 Å²	99	129.5 Å²	129.5	69%	0.692	71%	0.714	S	S	*	*			cis	-164.2	-148.7	-5.3	53.8	0	0	0	0	108.8
668	S	31.2	Very low	29.6	Very low	82 Å²	82	130.4 Å²	130.4	57%	0.573	72%	0.721	S	S	*	*			cis	-161.9	153	5.6	-115	0	0	0	0	111.7
669	D	29.6	Very low	29.6	Very low	138 Å²	138	131.1 Å²	131.1	74%	0.738	72%	0.721	S	S	*	*			trans	40.6	136.7	133.6	-46.5	-40.9	0	0	0	122.4
670	E	28.9	Very low	29.7	Very low	160 Å²	160	136 Å²	136	75%	0.748	73%	0.731	S	S	*	*			cis	-153	169.3	3.8	-123.3	-70.6	78.9	0	0	113.9
671	S	28.2	Very low	29.7	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	74%	0.738	S	S	*	*			trans	-64.1	-174	-171.2	-67.4	0	0	0	0	119
672	S	28.2	Very low	29.6	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	74%	0.741	S	S	*	*			cis	-178.4	174.4	-42.2	-166.9	0	0	0	0	109.9
673	S	29.1	Very low	29.2	Very low	115 Å²	115	146 Å²	146	80%	0.804	75%	0.749	S	S	*	*			trans	-93.5	157	-166.8	60.3	0	0	0	0	117.7
674	G	27.3	Very low	28.7	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	75%	0.754	S	S	*	*			trans	157.4	155	155.9	0	0	0	0	0	114.4
675	E	27.7	Very low	28.5	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	74%	0.743	S	S	*	*			cis	-151.6	-140	-16.4	-146.7	-160.1	130.9	0	0	112
676	N	27.3	Very low	28.6	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	74%	0.739	S	S	*	*			trans	-137.6	171.1	-150	-158.6	-18.4	0	0	0	116.3
677	K	29.4	Very low	28.3	Very low	163 Å²	163	144.9 Å²	144.9	71%	0.709	74%	0.744	S	S	*	*			trans	89.4	96.8	158.6	-62.9	171.7	-179	156.4	0	123.7
678	S	27.5	Very low	28.3	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	74%	0.736	S	S	*	*				62.9	137.7	112.8	80.7	0	0	0	0	126.2
679	K	28.9	Very low	28.3	Very low	194 Å²	194	148 Å²	148	84%	0.843	75%	0.747	S	S	*	*			trans	87.5	93.8	144.8	-75	176.9	179.1	174.7	0	123.7
680	K	27.2	Very low	28.4	Very low	197 Å²	197	149 Å²	149	86%	0.857	75%	0.747	S	S	*	*				64.4	99.9	108.5	-169.1	-177.6	-173.4	173.1	0	122.1
681	K	25.7	Very low	28.4	Very low	198 Å²	198	149.2 Å²	149.2	86%	0.861	75%	0.748	S	S	*	*				178.5	117.1	125.2	-106.1	-178.9	177.3	179.3	0	117.8
682	R	26.1	Very low	28.5	Very low	222 Å²	222	151.8 Å²	151.8	84%	0.838	75%	0.75	S	S	*	*			trans	47.4	139.6	131.8	-88.4	-172.9	167.9	-177.4	-3.6	125.9
683	R	26.9	Very low	28.6	Very low	225 Å²	225	153.8 Å²	153.8	85%	0.849	75%	0.751	S	S	*	*			trans	74.9	150.7	156.3	-71.6	-178.5	168	179.1	-5.9	116.3
684	R	27.3	Very low	28.7	Very low	208 Å²	208	152.7 Å²	152.7	79%	0.785	75%	0.748	S	S	*	*			cis	-164.4	164.9	-13	-122	-148.8	129.6	-131.4	3.8	104.9	E686	R684-E686 IonicContact CZ-OE1 2.66Å; R684-E686 IonicContact NH1-OE1 2.87Å; R684-E686 PolarHBondContact NH1-OE1 2.66Å
685	S	28.9	Very low	28.8	Very low	58 Å²	58	154.4 Å²	154.4	41%	0.406	75%	0.749	S	S	.	*			cis	-174	-165.7	-8.4	36.5	0	0	0	0	109.7
686	E	30.4	Very low	29.1	Very low	141 Å²	141	152 Å²	152	66%	0.659	75%	0.747	S	S	*	*			trans	69.7	141.4	-179.1	-67.8	95.1	-103.2	0	0	114.4	R684	R684-E686 IonicContact CZ-OE1 2.66Å; R684-E686 IonicContact NH1-OE1 2.87Å; R684-E686 PolarHBondContact NH1-OE1 2.66Å
687	D	27.8	Very low	30.7	Very low	140 Å²	140	151.1 Å²	151.1	75%	0.749	75%	0.748	S	S	*	*			cis	-148.6	163.9	2.9	-139.4	-27.8	0	0	0	114.3
688	S	30.6	Very low	31.6	Very low	76 Å²	76	148.7 Å²	148.7	53%	0.531	75%	0.749	S	S	.	*			trans	21.6	132.6	155.8	15.3	0	0	0	0	122.1
689	E	30.8	Very low	31.8	Very low	170 Å²	170	148.6 Å²	148.6	79%	0.794	75%	0.749	S	S	*	*				74.9	143.5	74.4	-64.5	159.5	-173	0	0	113
690	E	31.3	Very low	32.1	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	74%	0.742	S	S	*	*			cis	-158.9	178.2	-3.4	-121.1	175.1	-179.1	0	0	110.5
691	E	30.6	Very low	32.4	Very low	165 Å²	165	143.2 Å²	143.2	77%	0.771	74%	0.741	S	S	*	*			trans	17	163.8	149	-67.1	-162.2	166.9	0	0	123.3
692	E	30.3	Very low	32.9	Very low	147 Å²	147	140.7 Å²	140.7	69%	0.687	74%	0.737	S	S	*	*			cis	-164.7	-164	2.5	-126.5	-77.8	129.6	0	0	109.7
693	L	29.8	Very low	33.3	Very low	157 Å²	157	135.8 Å²	135.8	82%	0.822	74%	0.737	S	S	*	*			trans	82.5	133	159.7	-55.8	-177.9	0	0	0	120.6
694	A	31.6	Very low	34	Very low	91 Å²	91	130 Å²	130	75%	0.752	74%	0.736	S	S	*	*			trans	-117.9	166	171.5	0	0	0	0	0	111.5
695	S	28.9	Very low	34.8	Very low	110 Å²	110	125.8 Å²	125.8	77%	0.769	74%	0.739	S	S	*	*			trans	-178.7	110.4	142.2	30.2	0	0	0	0	116.2
696	T	34.8	Very low	35.2	Very low	136 Å²	136	126.5 Å²	126.5	83%	0.834	76%	0.755	S	S	*	*			trans	59.9	152.1	138.9	46.9	0	0	0	0	124.4
697	P	59.3	Low	35.9	Very low	115 Å²	115	125.2 Å²	125.2	75%	0.747	76%	0.762	S	S	*	*			trans	-98.3	-168.2	177.1	43.2	-37.7	0	0	0	112.9
698	P	49.8	Very low	36.8	Very low	112 Å²	112	125.9 Å²	125.9	73%	0.727	77%	0.766	S	S	*	*				-154.2	-163.5	89.9	41.9	-21.7	0	0	0	116.1
699	S	30.3	Very low	37.8	Very low	101 Å²	101	135.2 Å²	135.2	71%	0.706	80%	0.801	S	S	*	*			trans	82	105.6	164.3	-56.4	0	0	0	0	116.9
700	S	35	Very low	38.2	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	80%	0.801	S	S	*	*				88.2	139.3	80.4	72.3	0	0	0	0	112.5
701	E	34.8	Very low	38.5	Very low	177 Å²	177	132.2 Å²	132.2	83%	0.827	81%	0.805	S	S	*	*			cis	-156	-176.8	14.6	-138.5	157.4	-146.6	0	0	111.8
702	D	35.8	Very low	39	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	81%	0.806	S	S	*	*			trans	-46.9	160.8	-173.4	-71.8	-69.4	0	0	0	118.5
703	S	35.2	Very low	39.5	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	81%	0.814	S	S	*	*			cis	-156.8	161.4	44.3	-49.6	0	0	0	0	115.2
704	A	40.8	Very low	40.1	Very low	102 Å²	102	127.7 Å²	127.7	84%	0.843	81%	0.813	S	S	*	*			trans	-140	157.6	179.9	0	0	0	0	0	114.5
705	S	43.5	Very low	40.7	Very low	120 Å²	120	130.1 Å²	130.1	84%	0.839	82%	0.817	S	S	*	*			trans	-161.1	145.7	155.7	49.2	0	0	0	0	107.7
706	G	37.6	Very low	41.5	Very low	73 Å²	73	131.6 Å²	131.6	75%	0.753	82%	0.82	S	S	*	*			cis	102	128.7	8.8	0	0	0	0	0	111.2
707	S	44.8	Very low	42	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	82%	0.819	S	S	*	*			cis	-159.7	-172.3	-3	53.2	0	0	0	0	110.8
708	D	47.9	Very low	40.6	Very low	153 Å²	153	132.6 Å²	132.6	82%	0.818	83%	0.825	S	S	*	*			trans	-59.8	156	-172.7	-45	-105.6	0	0	0	117
709	E	51.7	Low	39.8	Very low	273 Å²	273	134.5 Å²	134.5	100%	1.276	83%	0.834	S	S	*	*				-148.5	0	120.4	-114.1	-169.8	149.4	0	0	110.9

Retrieved 709 of 709 residues in 452.2 ms (Link to these results)

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