G4VMP5_SCHMA Loading...

Dipeptidyl-peptidase 9 (S09 family)

AlphaFold DB , UniProt , Accession G4VMP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 981 aa.

						>G4VMP5_SCHMA|G4VMP5
MMSGSDGSNGETNTFGHFYHIASSYGFGLHTIPNPTVIKIRNVSDCNDKLCCRIYFISYPSTNFQPGTKPTLFFADLVQHNSSDDQLIWYPLLPNEFVDYKNSLALADFLIHERMRVSVSGVTNYCLSDCGKLIICASSEIYSTEDRTCFGEQPNYLELIKTPLSSAIQPIMCPFNSDLIVCSSNENIFIGYIPTNKWIPVTNHTHNSGLSAGIPPFVVQEEFDRYVGYWWRPTMTNDHYYQLLYEEVDERNVAVTKLFHGEFGGGWENQRYPIAGTENASSNVKIYQFKLDSMGKISNVQTLALRSPLKQYIPNFEYLVRAGWTPDGNYVWCQLITRLQQRLSLVLIPVDNFLPIPDVVNHPDPSSSSLSPATSTLTDFSSSFFTSPCIELVTEVEQKFWVKVHDFLTFLKYPWYPTSEINKSSDYTNENSCTFIWASHRSGFTHLYLIQCSWPTANSTTSINNNNDNNEQTATLIQAKQIFINQLTDGDWEVTGNQIWVDEDNKLVYFEGFKEHPLLKHIYSVSYENRSDQSQLNCLTLNLSINNNDTHVMKSIQNAPNSSPLPMNTNIESTLDPLFHDSCLLMKPYPLSYQLNTFNIQSGIMILESSSLDKLVGIQICQVIIENNEKNINNSNSIHGNKHRKPILQHIAWLRKHVWHYNAFNGFYPTNPPLVLRCDIFNNLDRRLELQDYDDVDECMNDHISSSINVTYSSDHIEFSNSQSILYGQLFLPNCNHSRLLPVSSVDSVSFAGYPTLHFVYGGPGIQLVRGSYSRSVFAHAQLFCHFGYAVFLCDCRGSSNRGINFDGHIKNRLGQVELSDHVAFLRYAAKATGLIDLSRVAIMGYSFGGYLSLMAAMLYQDVYKVAIAISPVVDWRLYDTAYTERYIGLPKDNPDAYRKGNIMEYVSDMLSDKYHLFIFHGGQDENVHFLHTSSLIERLITCGKPHHFQLYPNSRHRLKQQSHVEATVLNFLEETLCKSS
					

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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	32	Very low	35.7	Very low	247 Å²	247	130.4 Å²	130.4	100%	1.217	83%	0.831	S	S	*	*				0	46.3	0	-77.2	-174.7	173.9	0	0	111.6
2	M	34	Very low	38.6	Very low	125 Å²	125	126.8 Å²	126.8	62%	0.616	81%	0.806	S	S	*	*			trans	-121.5	86	171.5	-74.8	-173.8	172	0	0	108.2	H20 I21	M2-H20 VanDerWaalsContact CE-CE1 3.48Å; M2-H20 WeakPolarHBondContact CE-CE1 3.25Å; M2-I21 HydrophobicContact CE-CD1 4.28Å
3	S	30.9	Very low	41.9	Very low	124 Å²	124	118.6 Å²	118.6	87%	0.867	75%	0.753	S	S	*	*			trans	-144.6	68.1	165.1	64	0	0	0	0	107.1
4	G	33.5	Very low	45.4	Very low	72 Å²	72	116.7 Å²	116.7	74%	0.742	74%	0.739	S	S	*	*			trans	-112.6	106.5	168	0	0	0	0	0	107.3	D6	G4-D6 PolarHBondContact O-N 3.04Å
5	S	31.9	Very low	48.7	Very low	118 Å²	118	114 Å²	114	83%	0.825	71%	0.712	S	S	*	*			trans	-72.8	109.3	170.5	49.9	0	0	0	0	109.5
6	D	35.2	Very low	51.6	Low	163 Å²	163	109.8 Å²	109.8	87%	0.872	70%	0.697	S	S	*	*			trans	-126.5	120.5	157.4	-74.7	-36.9	0	0	0	105.8	G4	G4-D6 PolarHBondContact O-N 3.04Å
7	G	33.1	Very low	54	Low	73 Å²	73	107.4 Å²	107.4	75%	0.753	68%	0.675	S	S	*	*			cis	105.2	96.8	42	0	0	0	0	0	106.7	N9	G7-N9 PolarHBondContact O-N 3.09Å
8	S	30.3	Very low	56.3	Low	107 Å²	107	101.6 Å²	101.6	75%	0.748	64%	0.638	S	S	*	*			trans	-45.9	118.9	176.3	49.7	0	0	0	0	114.2
9	N	31.8	Very low	58.2	Low	144 Å²	144	101.8 Å²	101.8	77%	0.77	63%	0.627	S	S	*	*	S	Bend	trans	157.2	111.5	136.2	-80.5	-19.6	0	0	0	111.8	G7 E11	G7-N9 PolarHBondContact O-N 3.09Å; N9-E11 VanDerWaalsContact C-N 3.32Å; N9-E11 PolarHBondContact O-N 2.79Å
10	G	45.9	Very low	59.9	Low	90 Å²	90	102.1 Å²	102.1	93%	0.928	62%	0.62	S	S	*	*			trans	58.4	-4.6	144.3	0	0	0	0	0	123.1	T12	G10-T12 PolarHBondContact O-N 3.13Å
11	E	54.6	Low	61.4	Low	171 Å²	171	98 Å²	98	80%	0.799	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-79.7	123.8	-176.4	-73.4	-172.3	167.7	0	0	112.9	N9	N9-E11 VanDerWaalsContact C-N 3.32Å; N9-E11 PolarHBondContact O-N 2.79Å
12	T	69.9	Low	64.1	Low	88 Å²	88	86.3 Å²	86.3	54%	0.54	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-62.2	140.1	171.2	51.1	0	0	0	0	110.5	G10 T14 K979	G10-T12 PolarHBondContact O-N 3.13Å; T12-T14 PolarHBondContact O-N 3.48Å; T12-K979 VanDerWaalsContact CG2-CE 3.48Å
13	N	82.1	Confident	66.7	Low	20 Å²	20	82 Å²	82	11%	0.107	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-63	142.4	177.9	-63.9	-62.4	0	0	0	110.3	F18 R739 E974	N13-F18 HydrophobicContact CB-CD1 4.36Å; N13-F18 HydrophobicContact CB-CD2 4.48Å; N13-F18 HydrophobicContact CB-CE1 3.69Å; N13-F18 HydrophobicContact CB-CE2 3.81Å; N13-F18 HydrophobicContact CB-CZ 3.39Å; N13-R739 PolarHBondContact ND2-NH1 3.47Å; N13-R739 PolarHBondContact OD1-NH1 3.41Å; N13-R739 PolarHBondContact OD1-NH2 3.29Å; N13-E974 WeakPolarHBondContact CB-OE1 3.43Å; N13-E974 PolarHBondContact N-OE1 2.9Å; N13-E974 PolarHBondContact ND2-OE1 2.93Å
14	T	91	Very high	69.2	Low	92 Å²	92	78.1 Å²	78.1	56%	0.564	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-88	154.6	171.9	65	0	0	0	0	109.9	T12 G16 H17 F18	T12-T14 PolarHBondContact O-N 3.48Å; T14-G16 PolarHBondContact O-N 2.79Å; T14-H17 WeakPolarHBondContact O-CB 3.48Å; T14-H17 PolarHBondContact O-N 2.83Å; T14-H17 PolarHBondContact OG1-N 3.27Å; T14-F18 PolarHBondContact O-N 3.29Å; T14-F18 VanDerWaalsContact O-N 3.16Å
15	F	94	Very high	71.4	Confident	76 Å²	76	75.2 Å²	75.2	33%	0.333	46%	0.459	S	S	.	.	H	α-helix	trans	-52.6	-39.3	171.4	-177	-89	0	0	0	112.4	H17 F18 Y19 H964 A967 N971	F15-H17 VanDerWaalsContact C-N 3.29Å; F15-H17 PolarHBondContact O-N 2.69Å; F15-F18 PolarHBondContact O-N 3.32Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 2.66Å; F15-H964 AromaticContact CZ-CD2 3.94Å; F15-H964 AromaticContact CZ-NE2 3.76Å; F15-A967 HydrophobicContact CD2-CB 4.35Å; F15-A967 HydrophobicContact CE1-CB 4.37Å; F15-A967 HydrophobicContact CE2-CB 3.79Å; F15-A967 HydrophobicContact CZ-CB 3.8Å; F15-N971 HydrophobicContact CD2-CB 4.28Å
16	G	95	Very high	73.4	Confident	46 Å²	46	70.8 Å²	70.8	47%	0.474	43%	0.432	S	S	.	.	H	α-helix	trans	-60.8	-36.5	176.8	0	0	0	0	0	113.1	T14 H20	T14-G16 PolarHBondContact O-N 2.79Å; G16-H20 WeakPolarHBondContact O-CB 3.41Å; G16-H20 PolarHBondContact O-N 3.48Å
17	H	93.3	Very high	75.1	Confident	70 Å²	70	67 Å²	67	32%	0.324	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-49.4	173.6	-171.8	103.3	0	0	0	111.1	T14 F15 Y19 H20 I21 F787	T14-H17 WeakPolarHBondContact O-CB 3.48Å; T14-H17 PolarHBondContact O-N 2.83Å; T14-H17 PolarHBondContact OG1-N 3.27Å; F15-H17 VanDerWaalsContact C-N 3.29Å; F15-H17 PolarHBondContact O-N 2.69Å; H17-Y19 VanDerWaalsContact C-N 3.34Å; H17-Y19 PolarHBondContact O-N 3.24Å; H17-H20 PolarHBondContact O-N 3.16Å; H17-I21 WeakPolarHBondContact O-CG1 3.05Å; H17-I21 PolarHBondContact O-N 3.45Å; H17-I21 VanDerWaalsContact O-N 3.09Å; H17-F787 AromaticContact CD2-CE1 3.8Å; H17-F787 AromaticContact CD2-CZ 3.94Å
18	F	94.1	Very high	76.9	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-56.7	-47.8	176.8	-66.5	-50.6	0	0	0	112	N13 T14 F15 H20 I21 A22 F787 A967 L970 N971 E974	N13-F18 HydrophobicContact CB-CD1 4.36Å; N13-F18 HydrophobicContact CB-CD2 4.48Å; N13-F18 HydrophobicContact CB-CE1 3.69Å; N13-F18 HydrophobicContact CB-CE2 3.81Å; N13-F18 HydrophobicContact CB-CZ 3.39Å; T14-F18 PolarHBondContact O-N 3.29Å; T14-F18 VanDerWaalsContact O-N 3.16Å; F15-F18 PolarHBondContact O-N 3.32Å; F18-H20 PolarHBondContact O-N 2.87Å; F18-I21 PolarHBondContact O-N 3.46Å; F18-A22 WeakPolarHBondContact O-CB 3.3Å; F18-A22 PolarHBondContact O-N 2.85Å; F18-F787 AromaticContact CD1-CD1 3.94Å; F18-F787 HydrophobicContact CD1-CD1 3.94Å; F18-F787 HydrophobicContact CD1-CD2 4.21Å; F18-F787 AromaticContact CD1-CE1 3.53Å; F18-F787 HydrophobicContact CD1-CE1 3.53Å; F18-F787 AromaticContact CD1-CE2 3.82Å; F18-F787 HydrophobicContact CD1-CE2 3.82Å; F18-F787 HydrophobicContact CD1-CG 4.27Å; F18-F787 AromaticContact CD1-CZ 3.47Å; F18-F787 HydrophobicContact CD1-CZ 3.47Å; F18-F787 VanDerWaalsContact CD1-CZ 3.47Å; F18-F787 AromaticContact CE1-CD1 3.54Å; F18-F787 HydrophobicContact CE1-CD1 3.54Å; F18-F787 HydrophobicContact CE1-CD2 4.34Å; F18-F787 AromaticContact CE1-CE1 3.54Å; F18-F787 HydrophobicContact CE1-CE1 3.54Å; F18-F787 HydrophobicContact CE1-CE2 4.34Å; F18-F787 AromaticContact CE1-CG 3.96Å; F18-F787 HydrophobicContact CE1-CG 3.96Å; F18-F787 AromaticContact CE1-CZ 3.97Å; F18-F787 HydrophobicContact CE1-CZ 3.97Å; F18-A967 HydrophobicContact CB-CB 3.94Å; F18-L970 HydrophobicContact CB-CB 4.27Å; F18-L970 HydrophobicContact CB-CD1 4.26Å; F18-L970 HydrophobicContact CD1-CB 3.64Å; F18-L970 HydrophobicContact CD1-CD1 3.89Å; F18-L970 HydrophobicContact CD1-CG 4.3Å; F18-L970 HydrophobicContact CD2-CB 4.22Å; F18-L970 HydrophobicContact CE1-CB 3.9Å; F18-L970 HydrophobicContact CE2-CB 4.46Å; F18-L970 HydrophobicContact CG-CB 3.81Å; F18-L970 HydrophobicContact CG-CD1 4.35Å; F18-L970 HydrophobicContact CZ-CB 4.3Å; F18-N971 HydrophobicContact CD2-CB 4.05Å; F18-N971 HydrophobicContact CE2-CB 4.08Å; F18-E974 HydrophobicContact CZ-CB 4.14Å; F18-E974 HydrophobicContact CZ-CG 4.48Å
19	Y	94	Very high	78.8	Confident	106 Å²	106	59.4 Å²	59.4	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-42.4	179.9	-176	-99.9	0	0	0	113	F15 H17 S23 H964 A967	F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 2.66Å; H17-Y19 VanDerWaalsContact C-N 3.34Å; H17-Y19 PolarHBondContact O-N 3.24Å; Y19-S23 VanDerWaalsContact O-CB 3.28Å; Y19-S23 WeakPolarHBondContact O-CB 3.48Å; Y19-S23 PolarHBondContact O-N 3.15Å; Y19-S23 PolarHBondContact O-OG 2.82Å; Y19-H964 HydrophobicContact CD2-CB 4.42Å; Y19-H964 HydrophobicContact CE2-CB 4.04Å; Y19-A967 HydrophobicContact CD2-CB 4.22Å
20	H	92.2	Very high	80.6	Confident	108 Å²	108	56.5 Å²	56.5	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-44.2	177.8	-179.6	-90.2	0	0	0	112	M2 G16 H17 F18 S24	M2-H20 VanDerWaalsContact CE-CE1 3.48Å; M2-H20 WeakPolarHBondContact CE-CE1 3.25Å; G16-H20 WeakPolarHBondContact O-CB 3.41Å; G16-H20 PolarHBondContact O-N 3.48Å; H17-H20 PolarHBondContact O-N 3.16Å; F18-H20 PolarHBondContact O-N 2.87Å; H20-S24 WeakPolarHBondContact O-CB 3.49Å; H20-S24 PolarHBondContact O-N 2.84Å; H20-S24 PolarHBondContact O-OG 3.32Å
21	I	90.2	Very high	81.8	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.087	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-47.5	178.5	-64	-59.9	0	0	0	111	M2 H17 F18 S23 S24 Y25 L783 F787	M2-I21 HydrophobicContact CE-CD1 4.28Å; H17-I21 WeakPolarHBondContact O-CG1 3.05Å; H17-I21 PolarHBondContact O-N 3.45Å; H17-I21 VanDerWaalsContact O-N 3.09Å; F18-I21 PolarHBondContact O-N 3.46Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3Å; I21-S24 WeakPolarHBondContact O-CB 3.47Å; I21-S24 PolarHBondContact O-N 3.48Å; I21-S24 VanDerWaalsContact O-N 3.08Å; I21-Y25 HydrophobicContact CG2-CD2 3.82Å; I21-Y25 HydrophobicContact CG2-CE2 3.45Å; I21-Y25 VanDerWaalsContact CG2-CE2 3.45Å; I21-Y25 VanDerWaalsContact O-CD2 3.31Å; I21-Y25 WeakPolarHBondContact O-CD2 3.34Å; I21-Y25 PolarHBondContact O-N 2.97Å; I21-Y25 VanDerWaalsContact O-N 3.1Å; I21-L783 HydrophobicContact CG2-CD1 3.98Å; I21-F787 HydrophobicContact CB-CE2 4.2Å; I21-F787 HydrophobicContact CB-CZ 3.94Å; I21-F787 HydrophobicContact CG1-CZ 4.02Å; I21-F787 HydrophobicContact CG2-CE2 3.84Å; I21-F787 HydrophobicContact CG2-CZ 3.94Å
22	A	89.8	Confident	82.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.9	-45.6	175.3	0	0	0	0	0	112.2	F18 S24 Y25 G26 L783 E966	F18-A22 WeakPolarHBondContact O-CB 3.3Å; F18-A22 PolarHBondContact O-N 2.85Å; A22-S24 VanDerWaalsContact C-N 3.29Å; A22-S24 PolarHBondContact O-N 3.3Å; A22-Y25 PolarHBondContact O-N 3.3Å; A22-G26 PolarHBondContact O-N 2.83Å; A22-G26 VanDerWaalsContact O-N 3.1Å; A22-L783 HydrophobicContact CB-CD1 4.22Å; A22-L783 HydrophobicContact CB-CD2 4.25Å; A22-E966 HydrophobicContact CB-CB 3.85Å; A22-E966 WeakPolarHBondContact CB-OE2 3.26Å
23	S	87.5	Confident	83.5	Confident	36 Å²	36	45.1 Å²	45.1	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-36.5	176.3	-58	0	0	0	0	112.6	Y19 I21 F27 S963	Y19-S23 VanDerWaalsContact O-CB 3.28Å; Y19-S23 WeakPolarHBondContact O-CB 3.48Å; Y19-S23 PolarHBondContact O-N 3.15Å; Y19-S23 PolarHBondContact O-OG 2.82Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3Å; S23-F27 WeakPolarHBondContact O-CB 3.33Å; S23-F27 PolarHBondContact O-N 3.31Å; S23-S963 WeakPolarHBondContact CA-OG 3.43Å; S23-S963 WeakPolarHBondContact OG-CB 3.28Å
24	S	84.1	Confident	83.8	Confident	42 Å²	42	46.4 Å²	46.4	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-68.5	-43.2	-179.9	-60.8	0	0	0	0	112.3	H20 I21 A22 F27 G28	H20-S24 WeakPolarHBondContact O-CB 3.49Å; H20-S24 PolarHBondContact O-N 2.84Å; H20-S24 PolarHBondContact O-OG 3.32Å; I21-S24 WeakPolarHBondContact O-CB 3.47Å; I21-S24 PolarHBondContact O-N 3.48Å; I21-S24 VanDerWaalsContact O-N 3.08Å; A22-S24 VanDerWaalsContact C-N 3.29Å; A22-S24 PolarHBondContact O-N 3.3Å; S24-F27 PolarHBondContact O-N 2.86Å; S24-G28 PolarHBondContact O-N 3.41Å
25	Y	80	Confident	83.9	Confident	11 Å²	11	42 Å²	42	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-45.2	175.1	-76.7	-68.2	0	0	0	112	I21 A22 F27 G28 L29 F664 F667 P669 Q782 L783 H786	I21-Y25 HydrophobicContact CG2-CD2 3.82Å; I21-Y25 HydrophobicContact CG2-CE2 3.45Å; I21-Y25 VanDerWaalsContact CG2-CE2 3.45Å; I21-Y25 VanDerWaalsContact O-CD2 3.31Å; I21-Y25 WeakPolarHBondContact O-CD2 3.34Å; I21-Y25 PolarHBondContact O-N 2.97Å; I21-Y25 VanDerWaalsContact O-N 3.1Å; A22-Y25 PolarHBondContact O-N 3.3Å; Y25-F27 VanDerWaalsContact C-N 3.34Å; Y25-F27 PolarHBondContact O-N 3.42Å; Y25-G28 PolarHBondContact O-N 2.89Å; Y25-L29 PolarHBondContact O-N 2.9Å; Y25-F664 HydrophobicContact CD1-CD1 4.25Å; Y25-F664 AromaticContact CD1-CE1 3.78Å; Y25-F664 HydrophobicContact CD1-CE1 3.78Å; Y25-F664 HydrophobicContact CD1-CE2 4.4Å; Y25-F664 AromaticContact CD1-CZ 3.86Å; Y25-F664 HydrophobicContact CD1-CZ 3.86Å; Y25-F664 HydrophobicContact CE1-CE1 4.49Å; Y25-F664 HydrophobicContact CE1-CZ 4.47Å; Y25-F667 HydrophobicContact CE1-CD1 4.44Å; Y25-F667 HydrophobicContact CE1-CE1 4.47Å; Y25-F667 AromaticContact CZ-CE1 3.98Å; Y25-F667 WeakPolarHBondContact OH-CE1 3.22Å; Y25-P669 HydrophobicContact CE1-CG 4.37Å; Y25-P669 VanDerWaalsContact OH-CG 3.28Å; Y25-P669 WeakPolarHBondContact OH-CG 3.35Å; Y25-Q782 HydrophobicContact CD1-CB 4.11Å; Y25-Q782 HydrophobicContact CE1-CB 3.83Å; Y25-L783 HydrophobicContact CD2-CB 4.24Å; Y25-L783 HydrophobicContact CD2-CD1 3.79Å; Y25-L783 HydrophobicContact CE2-CB 4.46Å; Y25-L783 HydrophobicContact CE2-CD1 4.01Å; Y25-H786 HydrophobicContact CE2-CB 4.39Å; Y25-H786 WeakPolarHBondContact OH-CB 3.45Å; Y25-H786 PolarHBondContact OH-ND1 3.4Å
26	G	73.1	Confident	83.8	Confident	25 Å²	25	41.3 Å²	41.3	26%	0.258	23%	0.231	S	C	.	.	H	α-helix	trans	-54.4	-52.3	175.2	0	0	0	0	0	111	A22 H30	A22-G26 PolarHBondContact O-N 2.83Å; A22-G26 VanDerWaalsContact O-N 3.1Å; G26-H30 PolarHBondContact O-CD2 3.5Å; G26-H30 PolarHBondContact O-N 3.32Å
27	F	70.4	Confident	83.6	Confident	82 Å²	82	41.5 Å²	41.5	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-47.5	178.8	-174.9	-102.5	0	0	0	112.7	S23 S24 Y25 L29 H30 T31 F64 P66	S23-F27 WeakPolarHBondContact O-CB 3.33Å; S23-F27 PolarHBondContact O-N 3.31Å; S24-F27 PolarHBondContact O-N 2.86Å; Y25-F27 VanDerWaalsContact C-N 3.34Å; Y25-F27 PolarHBondContact O-N 3.42Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 PolarHBondContact O-N 3.15Å; F27-H30 WeakPolarHBondContact O-CB 3.14Å; F27-H30 PolarHBondContact O-N 3.16Å; F27-T31 HydrophobicContact CD1-CG2 4.05Å; F27-T31 HydrophobicContact CE1-CG2 3.68Å; F27-T31 HydrophobicContact CZ-CG2 4.04Å; F27-T31 WeakPolarHBondContact O-CG2 3.44Å; F27-T31 PolarHBondContact O-N 3.35Å; F27-F64 HydrophobicContact CD2-CE1 4.47Å; F27-F64 AromaticContact CE2-CD1 3.95Å; F27-F64 HydrophobicContact CE2-CD1 3.95Å; F27-F64 AromaticContact CE2-CE1 3.93Å; F27-F64 HydrophobicContact CE2-CE1 3.93Å; F27-F64 HydrophobicContact CZ-CD1 4.09Å; F27-P66 HydrophobicContact CD2-CG 4.16Å; F27-P66 HydrophobicContact CE2-CG 3.74Å
28	G	70.7	Confident	83.7	Confident	13 Å²	13	38.5 Å²	38.5	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-54.5	-44.5	-177.9	0	0	0	0	0	112.9	S24 Y25 H30 T31	S24-G28 PolarHBondContact O-N 3.41Å; Y25-G28 PolarHBondContact O-N 2.89Å; G28-H30 VanDerWaalsContact C-N 3.29Å; G28-H30 PolarHBondContact O-N 2.95Å; G28-T31 PolarHBondContact O-N 2.7Å; G28-T31 VanDerWaalsContact O-N 3.17Å; G28-T31 PolarHBondContact O-OG1 2.96Å
29	L	70.5	Confident	83.7	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-24.6	178.2	-68.2	175.1	0	0	0	113.8	Y25 F27 T31 F664 R775 F778 A779	Y25-L29 PolarHBondContact O-N 2.9Å; F27-L29 VanDerWaalsContact C-N 3.31Å; F27-L29 PolarHBondContact O-N 3.15Å; L29-T31 VanDerWaalsContact C-N 3.35Å; L29-F664 HydrophobicContact CD1-CZ 4.4Å; L29-F664 HydrophobicContact CD2-CE1 4.16Å; L29-F664 HydrophobicContact CD2-CE2 4.44Å; L29-F664 HydrophobicContact CD2-CZ 3.63Å; L29-F664 HydrophobicContact CG-CE1 4.08Å; L29-F664 HydrophobicContact CG-CZ 3.82Å; L29-R775 HydrophobicContact CD1-CG 4.37Å; L29-F778 HydrophobicContact CD2-CD1 4.09Å; L29-F778 HydrophobicContact CD2-CE1 4.07Å; L29-A779 HydrophobicContact CD1-CB 3.65Å
30	H	71.3	Confident	83.7	Confident	83 Å²	83	37.1 Å²	37.1	38%	0.384	21%	0.206	S	C	.	.	H	α-helix	trans	-76.4	-22.7	174.3	-75.5	-71.9	0	0	0	113.1	G26 F27 G28 I32 F64 R775	G26-H30 PolarHBondContact O-CD2 3.5Å; G26-H30 PolarHBondContact O-N 3.32Å; F27-H30 WeakPolarHBondContact O-CB 3.14Å; F27-H30 PolarHBondContact O-N 3.16Å; G28-H30 VanDerWaalsContact C-N 3.29Å; G28-H30 PolarHBondContact O-N 2.95Å; H30-I32 PolarHBondContact O-N 3.29Å; H30-F64 HydrophobicContact CB-CE1 3.76Å; H30-F64 HydrophobicContact CB-CZ 3.65Å; H30-R775 PolarHBondContact CD2-NH2 2.96Å; H30-R775 VanDerWaalsContact CD2-NH2 3.31Å; H30-R775 PolarHBondContact CE1-NH2 2.96Å; H30-R775 PolarHBondContact ND1-NH2 3.42Å; H30-R775 PolarHBondContact NE2-NH2 2.87Å
31	T	69.4	Low	83.7	Confident	56 Å²	56	33.5 Å²	33.5	34%	0.344	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.1	179.9	68.2	0	0	0	0	114.1	F27 G28 L29 P33 F64	F27-T31 HydrophobicContact CD1-CG2 4.05Å; F27-T31 HydrophobicContact CE1-CG2 3.68Å; F27-T31 HydrophobicContact CZ-CG2 4.04Å; F27-T31 WeakPolarHBondContact O-CG2 3.44Å; F27-T31 PolarHBondContact O-N 3.35Å; G28-T31 PolarHBondContact O-N 2.7Å; G28-T31 VanDerWaalsContact O-N 3.17Å; G28-T31 PolarHBondContact O-OG1 2.96Å; L29-T31 VanDerWaalsContact C-N 3.35Å; T31-P33 WeakPolarHBondContact O-CD 3.35Å; T31-F64 HydrophobicContact CG2-CD1 4.06Å
32	I	78.5	Confident	83.4	Confident	35 Å²	35	35.1 Å²	35.1	18%	0.179	20%	0.196	C	C	.	.	S	Bend	trans	-99.7	99.2	-177.8	-55.4	177.6	0	0	0	108	H30 N34 L615 A663	H30-I32 PolarHBondContact O-N 3.29Å; I32-N34 PolarHBondContact O-N 3.43Å; I32-L615 HydrophobicContact CD1-CD1 3.28Å; I32-L615 HydrophobicContact CG1-CD1 4.49Å; I32-L615 HydrophobicContact CG2-CD1 4.17Å; I32-A663 HydrophobicContact CD1-CB 3.81Å
33	P	82.6	Confident	82.9	Confident	19 Å²	19	36.1 Å²	36.1	12%	0.123	20%	0.202	C	C	.	.			trans	-68.9	133.8	-174.4	29.4	-35.8	0	0	0	110.1	T31 Y59 W89 R655	T31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-Y59 VanDerWaalsContact CB-O 3.27Å; P33-Y59 WeakPolarHBondContact CB-O 3.35Å; P33-W89 HydrophobicContact CB-CH2 4.26Å; P33-W89 HydrophobicContact CB-CZ3 3.96Å; P33-W89 HydrophobicContact CG-CH2 4.09Å; P33-W89 HydrophobicContact CG-CZ3 3.91Å; P33-R655 WeakPolarHBondContact O-CD 3.39Å; P33-R655 PolarHBondContact O-NE 3.39Å
34	N	87.5	Confident	81.9	Confident	48 Å²	48	39.8 Å²	39.8	26%	0.257	23%	0.228	S	C	.	.			trans	-117	116.8	173.5	-162.9	48.2	0	0	0	108.8	I32 S58 R655	I32-N34 PolarHBondContact O-N 3.43Å; N34-S58 VanDerWaalsContact C-OG 3.28Å; N34-S58 PolarHBondContact O-OG 3.2Å; N34-R655 PolarHBondContact OD1-NH1 2.94Å
35	P	93	Very high	80.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.			trans	-57.5	134.9	171.2	-27.9	35.4	0	0	0	112	I38 F56 I57 W89 I618 L654	P35-I38 HydrophobicContact CB-CD1 4.21Å; P35-F56 HydrophobicContact CB-CB 4.07Å; P35-F56 HydrophobicContact CB-CD2 3.51Å; P35-F56 HydrophobicContact CB-CE2 4.14Å; P35-F56 HydrophobicContact CB-CG 3.92Å; P35-F56 HydrophobicContact CG-CD2 3.89Å; P35-F56 HydrophobicContact CG-CE2 3.99Å; P35-I57 CarbonylContact C-O 3.44Å; P35-I57 WeakPolarHBondContact CA-O 3.47Å; P35-W89 HydrophobicContact CG-CH2 3.57Å; P35-W89 HydrophobicContact CG-CZ2 3.5Å; P35-W89 VanDerWaalsContact CG-CZ2 3.5Å; P35-W89 HydrophobicContact CG-CZ3 4.38Å; P35-I618 HydrophobicContact CB-CD1 3.65Å; P35-I618 HydrophobicContact CG-CD1 3.8Å; P35-L654 HydrophobicContact CB-CD2 3.79Å; P35-L654 HydrophobicContact CG-CD2 3.94Å; P35-L654 HydrophobicContact CG-CG 4.21Å
36	T	92	Very high	79.4	Confident	60 Å²	60	44.2 Å²	44.2	37%	0.368	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	167.4	175.7	61.9	0	0	0	0	110.3	I38 I57	T36-I38 PolarHBondContact O-N 3.44Å; T36-I57 PolarHBondContact N-O 3.01Å; T36-I57 PolarHBondContact O-N 2.88Å; T36-I57 PolarHBondContact OG1-O 3.4Å
37	V	91.5	Very high	78.6	Confident	50 Å²	50	50.4 Å²	50.4	30%	0.303	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51	55.9	-179.1	-165.8	0	0	0	0	110.9	I57 Y125	V37-I57 HydrophobicContact CB-CD1 4Å; V37-I57 HydrophobicContact CB-CG1 4.36Å; V37-I57 HydrophobicContact CG1-CD1 4.47Å; V37-I57 HydrophobicContact CG2-CD1 3.94Å; V37-Y125 HydrophobicContact CB-CE1 4.07Å; V37-Y125 HydrophobicContact CG1-CD1 4.04Å; V37-Y125 HydrophobicContact CG1-CE1 3.67Å; V37-Y125 WeakPolarHBondContact O-CE1 3.42Å; V37-Y125 VanDerWaalsContact O-CZ 3.31Å; V37-Y125 PolarHBondContact O-OH 3.43Å
38	I	95.6	Very high	78	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.8	-172.2	-50.7	178	0	0	0	109.6	P35 T36 I54 Y55 F56 N596 T597 I606 I618 L654	P35-I38 HydrophobicContact CB-CD1 4.21Å; T36-I38 PolarHBondContact O-N 3.44Å; I38-I54 HydrophobicContact CG2-CG2 3.43Å; I38-I54 VanDerWaalsContact CG2-CG2 3.43Å; I38-Y55 CarbonylContact C-O 3.51Å; I38-Y55 VanDerWaalsContact CA-O 3.3Å; I38-Y55 WeakPolarHBondContact CA-O 3.3Å; I38-F56 HydrophobicContact CB-CB 4.49Å; I38-F56 HydrophobicContact CG1-CB 3.96Å; I38-N596 WeakPolarHBondContact CB-OD1 3.44Å; I38-T597 HydrophobicContact CB-CG2 4.23Å; I38-T597 HydrophobicContact CG2-CG2 4.16Å; I38-T597 WeakPolarHBondContact O-CG2 3.35Å; I38-I606 HydrophobicContact CD1-CG2 3.82Å; I38-I606 HydrophobicContact CG2-CG1 4.33Å; I38-I606 HydrophobicContact CG2-CG2 4.41Å; I38-I618 HydrophobicContact CD1-CD1 4.15Å; I38-I618 HydrophobicContact CD1-CG2 4Å; I38-L654 HydrophobicContact CD1-CD2 3.94Å
39	K	94.9	Very high	77.7	Confident	63 Å²	63	58.8 Å²	58.8	27%	0.274	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.6	175	-62.6	-172.4	178.1	-176.7	0	110.7	I54 Y55 Y125 L127	K39-I54 CarbonylContact O-C 3.48Å; K39-I54 WeakPolarHBondContact O-CA 3.44Å; K39-Y55 PolarHBondContact N-O 2.86Å; K39-Y55 PolarHBondContact O-N 3.44Å; K39-Y125 HydrophobicContact CB-CE2 4.22Å; K39-Y125 WeakPolarHBondContact CB-OH 3.27Å; K39-Y125 HydrophobicContact CD-CD2 4.37Å; K39-Y125 HydrophobicContact CD-CE2 3.72Å; K39-Y125 HydrophobicContact CG-CE2 4.12Å; K39-Y125 WeakPolarHBondContact CG-OH 3.35Å; K39-Y125 PolarHBondContact N-OH 3.38Å; K39-Y125 PolarHBondContact NZ-O 2.9Å; K39-L127 HydrophobicContact CB-CD2 3.78Å; K39-L127 HydrophobicContact CD-CB 3.95Å
40	I	93.7	Very high	77.5	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.1	-178.8	-55.4	159.1	0	0	0	108.1	C52 T597 N599 I604 I606	I40-C52 HydrophobicContact CG2-CB 3.91Å; I40-T597 HydrophobicContact CD1-CG2 3.9Å; I40-T597 HydrophobicContact CG1-CG2 4.1Å; I40-N599 HydrophobicContact CB-CB 4.14Å; I40-N599 HydrophobicContact CD1-CB 3.79Å; I40-N599 HydrophobicContact CG2-CB 4.21Å; I40-I604 HydrophobicContact CD1-CB 4.23Å; I40-I604 HydrophobicContact CD1-CG2 3.83Å; I40-I604 WeakPolarHBondContact CD1-O 3.34Å; I40-I606 HydrophobicContact CD1-CG1 4Å; I40-I606 HydrophobicContact CG1-CG1 4.28Å
41	R	90.5	Very high	77.9	Confident	33 Å²	33	56.7 Å²	56.7	13%	0.125	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.5	168.9	-179.3	178.6	168.2	-153.1	-1	109.7	C52 R53 Y55 L127 D129 C130 G131 D146	R41-C52 CarbonylContact O-C 3.59Å; R41-C52 VanDerWaalsContact O-CA 3.32Å; R41-C52 WeakPolarHBondContact O-CA 3.3Å; R41-R53 PolarHBondContact N-O 3.48Å; R41-R53 PolarHBondContact O-N 2.71Å; R41-Y55 HydrophobicContact CB-CE2 3.87Å; R41-Y55 PolarHBondContact NH1-OH 2.81Å; R41-L127 HydrophobicContact CB-CD2 4.13Å; R41-D129 PolarHBondContact NE-O 2.81Å; R41-C130 PolarHBondContact NH2-O 2.92Å; R41-G131 VanDerWaalsContact CZ-N 3.31Å; R41-D146 PolarHBondContact NH1-O 3.42Å
42	N	85	Confident	78.7	Confident	50 Å²	50	54 Å²	54	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.5	170.8	-63.4	-29	0	0	0	109.1	C52 N599 S602	N42-C52 PolarHBondContact OD1-SG 3Å; N42-N599 PolarHBondContact ND2-OD1 2.81Å; N42-S602 WeakPolarHBondContact OD1-CB 3.23Å
43	V	78.8	Confident	79.4	Confident	21 Å²	21	52.5 Å²	52.5	13%	0.127	29%	0.287	C	S	.	.			trans	-107.2	115.7	179.2	-174.2	0	0	0	0	108.1	D45 C51 R53 F150	V43-D45 VanDerWaalsContact C-N 3.29Å; V43-D45 PolarHBondContact O-N 3.03Å; V43-C51 PolarHBondContact N-O 2.89Å; V43-R53 HydrophobicContact CG2-CB 4.04Å; V43-F150 HydrophobicContact CB-CD2 4.42Å; V43-F150 HydrophobicContact CG1-CB 4.14Å
44	S	66.8	Low	79.9	Confident	114 Å²	114	51.6 Å²	51.6	80%	0.797	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.7	-169.1	46.8	0	0	0	0	115.6	C46	S44-C46 VanDerWaalsContact C-N 3.26Å; S44-C46 PolarHBondContact O-N 3.18Å; S44-C46 VanDerWaalsContact O-N 3.16Å
45	D	58.2	Low	80.3	Confident	118 Å²	118	49.3 Å²	49.3	63%	0.631	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	15.4	-167.2	-78.5	-10.1	0	0	0	115.5	V43	V43-D45 VanDerWaalsContact C-N 3.29Å; V43-D45 PolarHBondContact O-N 3.03Å
46	C	54.2	Low	80.4	Confident	28 Å²	28	49.3 Å²	49.3	19%	0.189	27%	0.269	C	S	.	.	S	Bend	trans	-110.6	103	-178.4	-63.3	0	0	0	0	111.9	S44 D48 K49 C51	S44-C46 VanDerWaalsContact C-N 3.26Å; S44-C46 PolarHBondContact O-N 3.18Å; S44-C46 VanDerWaalsContact O-N 3.16Å; C46-D48 PolarHBondContact O-N 3.25Å; C46-K49 HydrophobicContact CB-CB 4.2Å; C46-K49 WeakPolarHBondContact CB-O 2.9Å; C46-K49 PolarHBondContact O-N 3.15Å; C46-C51 HydrophobicContact CB-CB 3.69Å; C46-C51 WeakPolarHBondContact CB-SG 3.23Å; C46-C51 WeakPolarHBondContact SG-CB 3.47Å; C46-C51 CovalentContact SG-SG 2.02Å; C46-C51 PolarHBondContact SG-SG 2.99Å
47	N	55.8	Low	80.5	Confident	154 Å²	154	46.7 Å²	46.7	82%	0.824	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-27	84.8	168.9	-68.9	-35.1	0	0	0	114.7	K49	N47-K49 PolarHBondContact O-N 3.19Å
48	D	57.5	Low	80.5	Confident	174 Å²	174	44.3 Å²	44.3	93%	0.93	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	17	-176.7	-63.8	-34.5	0	0	0	116.6	C46	C46-D48 PolarHBondContact O-N 3.25Å
49	K	64	Low	80.1	Confident	98 Å²	98	47 Å²	47	43%	0.426	25%	0.249	S	C	.	.	S	Bend	trans	-101.4	137.4	178.1	-68.3	-173	-174.9	-169.6	0	110	C46 N47 C51 H80	C46-K49 HydrophobicContact CB-CB 4.2Å; C46-K49 WeakPolarHBondContact CB-O 2.9Å; C46-K49 PolarHBondContact O-N 3.15Å; N47-K49 PolarHBondContact O-N 3.19Å; K49-C51 PolarHBondContact O-N 3.2Å; K49-H80 PolarHBondContact NZ-NE2 2.86Å
50	L	67.4	Low	79.4	Confident	39 Å²	39	45.1 Å²	45.1	20%	0.204	24%	0.242	C	C	.	.			trans	-63.9	111.3	172.2	-173.1	68.2	0	0	0	109.3	Q79 I604	L50-Q79 PolarHBondContact O-N 3.25Å; L50-I604 HydrophobicContact CD2-CD1 3.6Å; L50-I604 HydrophobicContact CD2-CG1 4.02Å
51	C	78.1	Confident	78.3	Confident	8 Å²	8	48.2 Å²	48.2	5%	0.054	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.3	175.1	-76.5	0	0	0	0	108.9	V43 C46 K49 F150	V43-C51 PolarHBondContact N-O 2.89Å; C46-C51 HydrophobicContact CB-CB 3.69Å; C46-C51 WeakPolarHBondContact CB-SG 3.23Å; C46-C51 WeakPolarHBondContact SG-CB 3.47Å; C46-C51 CovalentContact SG-SG 2.02Å; C46-C51 PolarHBondContact SG-SG 2.99Å; K49-C51 PolarHBondContact O-N 3.2Å; C51-F150 HydrophobicContact CB-CD2 3.75Å; C51-F150 HydrophobicContact CB-CE2 3.83Å; C51-F150 HydrophobicContact CB-CG 4.27Å; C51-F150 HydrophobicContact CB-CZ 4.45Å
52	C	88.1	Confident	77.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.9	174.8	-59.3	0	0	0	0	109.1	I40 R41 N42 L77	I40-C52 HydrophobicContact CG2-CB 3.91Å; R41-C52 CarbonylContact O-C 3.59Å; R41-C52 VanDerWaalsContact O-CA 3.32Å; R41-C52 WeakPolarHBondContact O-CA 3.3Å; N42-C52 PolarHBondContact OD1-SG 3Å; C52-L77 HydrophobicContact CB-CD2 4.42Å; C52-L77 PolarHBondContact N-O 3.33Å; C52-L77 PolarHBondContact O-N 2.98Å
53	R	91.4	Very high	76.1	Confident	2 Å²	2	56 Å²	56	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.8	166.9	-177.3	164.9	-74.1	172.1	-2.8	109.1	R41 V43 Y55 F74 D76 D146 T148 C149	R41-R53 PolarHBondContact N-O 3.48Å; R41-R53 PolarHBondContact O-N 2.71Å; V43-R53 HydrophobicContact CG2-CB 4.04Å; R53-Y55 HydrophobicContact CB-CE2 3.94Å; R53-Y55 WeakPolarHBondContact CD-OH 3.31Å; R53-Y55 HydrophobicContact CG-CD2 4.18Å; R53-Y55 HydrophobicContact CG-CE1 4.39Å; R53-Y55 HydrophobicContact CG-CE2 3.56Å; R53-F74 HydrophobicContact CG-CB 4.06Å; R53-F74 HydrophobicContact CG-CD2 3.81Å; R53-F74 HydrophobicContact CG-CG 4.29Å; R53-D76 WeakPolarHBondContact CG-OD1 3.45Å; R53-D76 IonicContact CZ-OD1 2.84Å; R53-D76 IonicContact CZ-OD2 3.65Å; R53-D76 IonicContact NE-OD1 3.16Å; R53-D76 PolarHBondContact NE-OD1 3.48Å; R53-D76 IonicContact NE-OD2 3.35Å; R53-D76 IonicContact NH2-OD1 2.97Å; R53-D76 PolarHBondContact NH2-OD1 3.45Å; R53-D76 IonicContact NH2-OD2 3.63Å; R53-D76 PolarHBondContact NH2-OD2 2.81Å; R53-D146 WeakPolarHBondContact CD-OD2 3.35Å; R53-D146 IonicContact CZ-OD2 3.62Å; R53-D146 IonicContact NH1-OD1 3.8Å; R53-D146 PolarHBondContact NH1-OD1 3.49Å; R53-D146 IonicContact NH1-OD2 2.92Å; R53-D146 PolarHBondContact NH1-OD2 2.96Å; R53-T148 PolarHBondContact NH1-OG1 3.12Å; R53-C149 PolarHBondContact NH2-O 2.88Å
54	I	94.2	Very high	75.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.2	-178.4	-58	172.1	0	0	0	107.9	I38 K39 F56 F74 A75 L77 L87 I606 I620 L654	I38-I54 HydrophobicContact CG2-CG2 3.43Å; I38-I54 VanDerWaalsContact CG2-CG2 3.43Å; K39-I54 CarbonylContact O-C 3.48Å; K39-I54 WeakPolarHBondContact O-CA 3.44Å; I54-F56 HydrophobicContact CG2-CD1 4.32Å; I54-F74 CarbonylContact O-C 3.48Å; I54-F74 WeakPolarHBondContact O-CA 3.36Å; I54-A75 PolarHBondContact N-O 2.9Å; I54-A75 PolarHBondContact O-N 2.84Å; I54-L77 HydrophobicContact CD1-CB 4.48Å; I54-L87 HydrophobicContact CD1-CD1 4.18Å; I54-I606 HydrophobicContact CD1-CD1 3.92Å; I54-I620 HydrophobicContact CD1-CD1 3.43Å; I54-I620 VanDerWaalsContact CD1-CD1 3.43Å; I54-I620 HydrophobicContact CD1-CG1 4.05Å; I54-I620 HydrophobicContact CD1-CG2 4.35Å; I54-L654 HydrophobicContact CG2-CD2 4.39Å
55	Y	95.4	Very high	75.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145	177.2	-58.3	-104.2	0	0	0	109.3	I38 K39 R41 R53 F73 F74 L92 Y125 L127 L133 D146	I38-Y55 CarbonylContact C-O 3.51Å; I38-Y55 VanDerWaalsContact CA-O 3.3Å; I38-Y55 WeakPolarHBondContact CA-O 3.3Å; K39-Y55 PolarHBondContact N-O 2.86Å; K39-Y55 PolarHBondContact O-N 3.44Å; R41-Y55 HydrophobicContact CB-CE2 3.87Å; R41-Y55 PolarHBondContact NH1-OH 2.81Å; R53-Y55 HydrophobicContact CB-CE2 3.94Å; R53-Y55 WeakPolarHBondContact CD-OH 3.31Å; R53-Y55 HydrophobicContact CG-CD2 4.18Å; R53-Y55 HydrophobicContact CG-CE1 4.39Å; R53-Y55 HydrophobicContact CG-CE2 3.56Å; Y55-F73 WeakPolarHBondContact CA-O 3.39Å; Y55-F74 HydrophobicContact CD1-CB 4.03Å; Y55-F74 HydrophobicContact CE1-CB 4.32Å; Y55-F74 HydrophobicContact CG-CB 4.44Å; Y55-L92 HydrophobicContact CD1-CD2 4.19Å; Y55-L92 HydrophobicContact CE1-CD2 4.25Å; Y55-Y125 WeakPolarHBondContact CB-OH 3.39Å; Y55-Y125 PolarHBondContact O-OH 3.12Å; Y55-L127 HydrophobicContact CD2-CD1 4.42Å; Y55-L127 HydrophobicContact CD2-CD2 3.43Å; Y55-L127 VanDerWaalsContact CD2-CD2 3.43Å; Y55-L127 HydrophobicContact CE2-CD1 4.13Å; Y55-L127 HydrophobicContact CE2-CD2 3.73Å; Y55-L127 HydrophobicContact CG-CD2 4.09Å; Y55-L133 HydrophobicContact CD1-CD2 4.45Å; Y55-L133 HydrophobicContact CE1-CD1 4.15Å; Y55-D146 HydrophobicContact CE1-CB 4.46Å; Y55-D146 PolarHBondContact OH-OD2 3.41Å
56	F	96	Very high	76.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	155.1	-178.6	56	-84.9	0	0	0	112.1	P35 I38 I54 F73 A75 W89 L654	P35-F56 HydrophobicContact CB-CB 4.07Å; P35-F56 HydrophobicContact CB-CD2 3.51Å; P35-F56 HydrophobicContact CB-CE2 4.14Å; P35-F56 HydrophobicContact CB-CG 3.92Å; P35-F56 HydrophobicContact CG-CD2 3.89Å; P35-F56 HydrophobicContact CG-CE2 3.99Å; I38-F56 HydrophobicContact CB-CB 4.49Å; I38-F56 HydrophobicContact CG1-CB 3.96Å; I54-F56 HydrophobicContact CG2-CD1 4.32Å; F56-F73 HydrophobicContact CD2-CB 3.98Å; F56-F73 HydrophobicContact CE1-CB 4.02Å; F56-F73 HydrophobicContact CE2-CB 3.45Å; F56-F73 VanDerWaalsContact CE2-CB 3.45Å; F56-F73 HydrophobicContact CE2-CD2 4.32Å; F56-F73 HydrophobicContact CE2-CG 4.04Å; F56-F73 HydrophobicContact CZ-CB 3.46Å; F56-F73 VanDerWaalsContact CZ-CB 3.46Å; F56-F73 HydrophobicContact CZ-CG 4.34Å; F56-F73 PolarHBondContact N-O 3.2Å; F56-F73 PolarHBondContact O-N 3.01Å; F56-A75 HydrophobicContact CE1-CB 4.05Å; F56-W89 AromaticContact CE2-CD2 3.74Å; F56-W89 HydrophobicContact CE2-CD2 3.74Å; F56-W89 AromaticContact CE2-CE3 3.88Å; F56-W89 HydrophobicContact CE2-CE3 3.88Å; F56-W89 HydrophobicContact CE2-CG 4.1Å; F56-W89 HydrophobicContact CE2-CZ3 4.34Å; F56-W89 HydrophobicContact CZ-CB 3.99Å; F56-W89 AromaticContact CZ-CD1 3.69Å; F56-W89 AromaticContact CZ-CD2 3.65Å; F56-W89 HydrophobicContact CZ-CD2 3.65Å; F56-W89 AromaticContact CZ-CE2 3.97Å; F56-W89 HydrophobicContact CZ-CE3 4.23Å; F56-W89 AromaticContact CZ-CG 3.51Å; F56-W89 HydrophobicContact CZ-CG 3.51Å; F56-W89 AromaticContact CZ-NE1 3.96Å; F56-L654 HydrophobicContact CD1-CD1 4.17Å; F56-L654 HydrophobicContact CD1-CD2 4.05Å; F56-L654 HydrophobicContact CE1-CD1 3.66Å; F56-L654 HydrophobicContact CE1-CD2 4.32Å; F56-L654 HydrophobicContact CE1-CG 4.47Å; F56-L654 HydrophobicContact CG-CD2 4.29Å; F56-L654 HydrophobicContact CZ-CD1 4.05Å
57	I	93.3	Very high	77.1	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.9	171.9	-62.6	172.9	0	0	0	108.4	P35 T36 V37 P70 T71 L72 V122 Y125	P35-I57 CarbonylContact C-O 3.44Å; P35-I57 WeakPolarHBondContact CA-O 3.47Å; T36-I57 PolarHBondContact N-O 3.01Å; T36-I57 PolarHBondContact O-N 2.88Å; T36-I57 PolarHBondContact OG1-O 3.4Å; V37-I57 HydrophobicContact CB-CD1 4Å; V37-I57 HydrophobicContact CB-CG1 4.36Å; V37-I57 HydrophobicContact CG1-CD1 4.47Å; V37-I57 HydrophobicContact CG2-CD1 3.94Å; I57-P70 HydrophobicContact CG2-CB 3.65Å; I57-T71 WeakPolarHBondContact CA-O 3.32Å; I57-L72 HydrophobicContact CG1-CD1 4.27Å; I57-V122 HydrophobicContact CD1-CG1 3.82Å; I57-V122 HydrophobicContact CG1-CG1 3.98Å; I57-Y125 HydrophobicContact CD1-CD1 4.03Å; I57-Y125 HydrophobicContact CD1-CE1 4.36Å; I57-Y125 HydrophobicContact CG1-CD1 4.04Å; I57-Y125 HydrophobicContact CG1-CE1 4.06Å
58	S	91.7	Very high	78.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	173.7	169.1	-149.7	0	0	0	0	112.2	N34 P70 T71 F73	N34-S58 VanDerWaalsContact C-OG 3.28Å; N34-S58 PolarHBondContact O-OG 3.2Å; S58-P70 WeakPolarHBondContact O-CA 3.41Å; S58-T71 PolarHBondContact N-O 3.42Å; S58-T71 PolarHBondContact O-N 3.13Å; S58-F73 WeakPolarHBondContact O-CE2 3.42Å
59	Y	86.5	Confident	79.3	Confident	64 Å²	64	46.9 Å²	46.9	25%	0.251	27%	0.269	S	S	.	.			trans	-83.2	142	167.2	-67.2	-88.2	0	0	0	109.2	P33 S61 F64 T68 P70	P33-Y59 VanDerWaalsContact CB-O 3.27Å; P33-Y59 WeakPolarHBondContact CB-O 3.35Å; Y59-S61 PolarHBondContact O-N 3.17Å; Y59-F64 HydrophobicContact CD1-CD2 4.45Å; Y59-F64 AromaticContact CD1-CE2 3.69Å; Y59-F64 HydrophobicContact CD1-CE2 3.69Å; Y59-F64 HydrophobicContact CE1-CE2 4.34Å; Y59-F64 AromaticContact CG-CE2 3.99Å; Y59-F64 HydrophobicContact CG-CE2 3.99Å; Y59-T68 HydrophobicContact CD1-CG2 4.29Å; Y59-T68 VanDerWaalsContact CE1-O 3.28Å; Y59-T68 WeakPolarHBondContact CE1-O 3.43Å; Y59-P70 HydrophobicContact CE1-CB 4.34Å; Y59-P70 HydrophobicContact CE1-CG 4.44Å; Y59-P70 HydrophobicContact CE2-CB 4.48Å
60	P	80.9	Confident	80.4	Confident	22 Å²	22	42.5 Å²	42.5	14%	0.143	25%	0.25	C	S	.	.			trans	-60.4	132.1	172.2	24.2	-31	0	0	0	110.1	T68 F73	P60-T68 HydrophobicContact CG-CG2 3.56Å; P60-F73 HydrophobicContact CB-CZ 4.22Å
61	S	70.2	Confident	81.6	Confident	81 Å²	81	40.9 Å²	40.9	57%	0.566	24%	0.242	S	C	*	.	S	Bend	trans	-72.6	-32.7	-179	53.4	0	0	0	0	112.5	Y59	Y59-S61 PolarHBondContact O-N 3.17Å
62	T	67.9	Low	82.2	Confident	101 Å²	101	40.5 Å²	40.5	62%	0.62	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	135.4	177.2	55.1	0	0	0	0	110.7	F64	T62-F64 PolarHBondContact O-N 3.26Å
63	N	62.1	Low	82.5	Confident	145 Å²	145	41.1 Å²	41.1	78%	0.775	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	32	176.2	-56	-26.7	0	0	0	115.2	Q65	N63-Q65 PolarHBondContact O-N 2.64Å
64	F	68.1	Low	82.6	Confident	33 Å²	33	41 Å²	41	15%	0.145	24%	0.242	C	C	.	.			trans	-58.7	115.3	171.7	-170.8	-86.2	0	0	0	110.3	F27 H30 T31 Y59 T62 T68	F27-F64 HydrophobicContact CD2-CE1 4.47Å; F27-F64 AromaticContact CE2-CD1 3.95Å; F27-F64 HydrophobicContact CE2-CD1 3.95Å; F27-F64 AromaticContact CE2-CE1 3.93Å; F27-F64 HydrophobicContact CE2-CE1 3.93Å; F27-F64 HydrophobicContact CZ-CD1 4.09Å; H30-F64 HydrophobicContact CB-CE1 3.76Å; H30-F64 HydrophobicContact CB-CZ 3.65Å; T31-F64 HydrophobicContact CG2-CD1 4.06Å; Y59-F64 HydrophobicContact CD1-CD2 4.45Å; Y59-F64 AromaticContact CD1-CE2 3.69Å; Y59-F64 HydrophobicContact CD1-CE2 3.69Å; Y59-F64 HydrophobicContact CE1-CE2 4.34Å; Y59-F64 AromaticContact CG-CE2 3.99Å; Y59-F64 HydrophobicContact CG-CE2 3.99Å; T62-F64 PolarHBondContact O-N 3.26Å; F64-T68 HydrophobicContact CD2-CG2 3.95Å; F64-T68 HydrophobicContact CE2-CG2 4.17Å
65	Q	70.8	Confident	82.5	Confident	132 Å²	132	41 Å²	41	62%	0.617	24%	0.242	S	C	*	.			trans	-119.5	155.9	174	-68.3	-173.4	-1.2	0	0	110.2	N63 G67 T68	N63-Q65 PolarHBondContact O-N 2.64Å; Q65-G67 PolarHBondContact O-N 2.88Å; Q65-T68 PolarHBondContact N-OG1 3.44Å; Q65-T68 VanDerWaalsContact O-CB 3.32Å; Q65-T68 WeakPolarHBondContact O-CB 3.38Å; Q65-T68 PolarHBondContact O-N 3.41Å; Q65-T68 PolarHBondContact O-OG1 3.06Å
66	P	67.4	Low	82.2	Confident	107 Å²	107	42.1 Å²	42.1	70%	0.695	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	126	170.3	-24.4	34.3	0	0	0	110.6	F27	F27-P66 HydrophobicContact CD2-CG 4.16Å; F27-P66 HydrophobicContact CE2-CG 3.74Å
67	G	71.8	Confident	81.9	Confident	68 Å²	68	42.2 Å²	42.2	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	-3.2	-175.3	0	0	0	0	0	115.5	Q65 K69	Q65-G67 PolarHBondContact O-N 2.88Å; G67-K69 PolarHBondContact O-N 3.2Å
68	T	78.6	Confident	81.3	Confident	35 Å²	35	44 Å²	44	22%	0.215	26%	0.259	C	S	.	.			trans	-55.7	135.8	168.7	-55.4	0	0	0	0	109.6	Y59 P60 F64 Q65	Y59-T68 HydrophobicContact CD1-CG2 4.29Å; Y59-T68 VanDerWaalsContact CE1-O 3.28Å; Y59-T68 WeakPolarHBondContact CE1-O 3.43Å; P60-T68 HydrophobicContact CG-CG2 3.56Å; F64-T68 HydrophobicContact CD2-CG2 3.95Å; F64-T68 HydrophobicContact CE2-CG2 4.17Å; Q65-T68 PolarHBondContact N-OG1 3.44Å; Q65-T68 VanDerWaalsContact O-CB 3.32Å; Q65-T68 WeakPolarHBondContact O-CB 3.38Å; Q65-T68 PolarHBondContact O-N 3.41Å; Q65-T68 PolarHBondContact O-OG1 3.06Å
69	K	82	Confident	80.2	Confident	43 Å²	43	49.3 Å²	49.3	19%	0.187	28%	0.284	C	S	.	.			trans	-111.4	152.3	-176	-67.8	174.9	-174	174.7	0	111	G67 V98 Y100	G67-K69 PolarHBondContact O-N 3.2Å; K69-V98 HydrophobicContact CB-CB 4.13Å; K69-V98 HydrophobicContact CB-CG1 3.3Å; K69-V98 HydrophobicContact CD-CB 4.35Å; K69-V98 HydrophobicContact CD-CG1 3.67Å; K69-V98 WeakPolarHBondContact CD-O 3.49Å; K69-V98 WeakPolarHBondContact CE-O 3.48Å; K69-V98 HydrophobicContact CG-CG1 4.15Å; K69-V98 PolarHBondContact NZ-O 3.1Å; K69-Y100 PolarHBondContact NZ-O 3.01Å
70	P	87.4	Confident	79.1	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.045	30%	0.302	C	S	.	.			trans	-67.5	145.2	176.8	29	-34.6	0	0	0	111.5	I57 S58 Y59 S120 G121 V122	I57-P70 HydrophobicContact CG2-CB 3.65Å; S58-P70 WeakPolarHBondContact O-CA 3.41Å; Y59-P70 HydrophobicContact CE1-CB 4.34Å; Y59-P70 HydrophobicContact CE1-CG 4.44Å; Y59-P70 HydrophobicContact CE2-CB 4.48Å; P70-S120 VanDerWaalsContact CD-O 3.27Å; P70-S120 WeakPolarHBondContact CD-O 3.21Å; P70-S120 VanDerWaalsContact CG-O 3.29Å; P70-S120 WeakPolarHBondContact CG-O 3.18Å; P70-G121 WeakPolarHBondContact O-CA 3.4Å; P70-V122 PolarHBondContact O-N 2.97Å
71	T	90.9	Very high	78.3	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.025	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	174	177.5	-167.1	0	0	0	0	111.1	I57 S58 F73	I57-T71 WeakPolarHBondContact CA-O 3.32Å; S58-T71 PolarHBondContact N-O 3.42Å; S58-T71 PolarHBondContact O-N 3.13Å; T71-F73 HydrophobicContact CG2-CD2 4.13Å; T71-F73 HydrophobicContact CG2-CE2 3.35Å; T71-F73 HydrophobicContact CG2-CZ 3.69Å
72	L	92.5	Very high	78.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.7	-176.1	-168.6	63.2	0	0	0	111.2	I57 L92 L93 Y125 L133 I135	I57-L72 HydrophobicContact CG1-CD1 4.27Å; L72-L92 HydrophobicContact CD2-CD2 3.64Å; L72-L92 HydrophobicContact CG-CB 4.41Å; L72-L92 HydrophobicContact CG-CD2 4.06Å; L72-L92 WeakPolarHBondContact O-CB 3.39Å; L72-L92 PolarHBondContact O-N 3.49Å; L72-L93 HydrophobicContact CB-CD1 4.15Å; L72-L93 HydrophobicContact CB-CG 4.3Å; L72-Y125 HydrophobicContact CD1-CD1 3.75Å; L72-Y125 HydrophobicContact CD1-CD2 4.37Å; L72-Y125 HydrophobicContact CD1-CE1 3.68Å; L72-Y125 HydrophobicContact CD1-CE2 4.29Å; L72-Y125 HydrophobicContact CD1-CG 4.12Å; L72-L133 HydrophobicContact CD2-CD2 4.45Å; L72-I135 HydrophobicContact CD2-CD1 3.71Å; L72-I135 HydrophobicContact CD2-CG1 4.07Å
73	F	93.3	Very high	78.3	Confident	14 Å²	14	50.3 Å²	50.3	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.3	176.1	-67.3	-95.1	0	0	0	110.1	Y55 F56 S58 P60 T71 W89 Y90 P91	Y55-F73 WeakPolarHBondContact CA-O 3.39Å; F56-F73 HydrophobicContact CD2-CB 3.98Å; F56-F73 HydrophobicContact CE1-CB 4.02Å; F56-F73 HydrophobicContact CE2-CB 3.45Å; F56-F73 VanDerWaalsContact CE2-CB 3.45Å; F56-F73 HydrophobicContact CE2-CD2 4.32Å; F56-F73 HydrophobicContact CE2-CG 4.04Å; F56-F73 HydrophobicContact CZ-CB 3.46Å; F56-F73 VanDerWaalsContact CZ-CB 3.46Å; F56-F73 HydrophobicContact CZ-CG 4.34Å; F56-F73 PolarHBondContact N-O 3.2Å; F56-F73 PolarHBondContact O-N 3.01Å; S58-F73 WeakPolarHBondContact O-CE2 3.42Å; P60-F73 HydrophobicContact CB-CZ 4.22Å; T71-F73 HydrophobicContact CG2-CD2 4.13Å; T71-F73 HydrophobicContact CG2-CE2 3.35Å; T71-F73 HydrophobicContact CG2-CZ 3.69Å; F73-W89 HydrophobicContact CD1-CB 4.16Å; F73-Y90 CarbonylContact C-O 3.49Å; F73-Y90 VanDerWaalsContact CA-O 3.28Å; F73-Y90 WeakPolarHBondContact CA-O 3.16Å; F73-P91 HydrophobicContact CD1-CB 4.15Å; F73-P91 HydrophobicContact CE1-CB 3.88Å
74	F	93.2	Very high	79.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.4	163.8	78.6	-82	0	0	0	111.8	R53 I54 Y55 Y90 L92 P154	R53-F74 HydrophobicContact CG-CB 4.06Å; R53-F74 HydrophobicContact CG-CD2 3.81Å; R53-F74 HydrophobicContact CG-CG 4.29Å; I54-F74 CarbonylContact O-C 3.48Å; I54-F74 WeakPolarHBondContact O-CA 3.36Å; Y55-F74 HydrophobicContact CD1-CB 4.03Å; Y55-F74 HydrophobicContact CE1-CB 4.32Å; Y55-F74 HydrophobicContact CG-CB 4.44Å; F74-Y90 HydrophobicContact CD2-CD2 4.42Å; F74-Y90 HydrophobicContact CE1-CD2 4.35Å; F74-Y90 HydrophobicContact CE1-CG 4.1Å; F74-Y90 AromaticContact CE2-CD2 3.69Å; F74-Y90 HydrophobicContact CE2-CD2 3.69Å; F74-Y90 HydrophobicContact CE2-CG 4.25Å; F74-Y90 AromaticContact CZ-CD2 3.62Å; F74-Y90 HydrophobicContact CZ-CD2 3.62Å; F74-Y90 AromaticContact CZ-CG 3.71Å; F74-Y90 HydrophobicContact CZ-CG 3.71Å; F74-Y90 PolarHBondContact N-O 3.29Å; F74-Y90 PolarHBondContact O-N 3.4Å; F74-L92 HydrophobicContact CD1-CD1 3.72Å; F74-L92 HydrophobicContact CE1-CD1 4.15Å; F74-P154 HydrophobicContact CD1-CG 4.3Å; F74-P154 HydrophobicContact CE1-CG 3.37Å; F74-P154 HydrophobicContact CZ-CG 3.57Å
75	A	92.2	Very high	79.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.3	172.8	0	0	0	0	0	110.1	I54 F56 L87 L654	I54-A75 PolarHBondContact N-O 2.9Å; I54-A75 PolarHBondContact O-N 2.84Å; F56-A75 HydrophobicContact CE1-CB 4.05Å; A75-L87 HydrophobicContact CB-CB 3.88Å; A75-L87 HydrophobicContact CB-CD1 3.87Å; A75-L654 HydrophobicContact CB-CD1 3.8Å
76	D	90.3	Very high	80.6	Confident	23 Å²	23	46.4 Å²	46.4	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.2	-179.2	-82.1	-11.2	0	0	0	111.2	R53 F150 G151	R53-D76 WeakPolarHBondContact CG-OD1 3.45Å; R53-D76 IonicContact CZ-OD1 2.84Å; R53-D76 IonicContact CZ-OD2 3.65Å; R53-D76 IonicContact NE-OD1 3.16Å; R53-D76 PolarHBondContact NE-OD1 3.48Å; R53-D76 IonicContact NE-OD2 3.35Å; R53-D76 IonicContact NH2-OD1 2.97Å; R53-D76 PolarHBondContact NH2-OD1 3.45Å; R53-D76 IonicContact NH2-OD2 3.63Å; R53-D76 PolarHBondContact NH2-OD2 2.81Å; D76-F150 HydrophobicContact CB-CE1 4.34Å; D76-F150 HydrophobicContact CB-CE2 3.77Å; D76-F150 HydrophobicContact CB-CZ 3.64Å; D76-G151 PolarHBondContact OD2-N 3.38Å
77	L	88.5	Confident	81.7	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.9	177.8	179.4	71.1	0	0	0	110	C52 I54 L87 F150 I604 I620 I651 A652	C52-L77 HydrophobicContact CB-CD2 4.42Å; C52-L77 PolarHBondContact N-O 3.33Å; C52-L77 PolarHBondContact O-N 2.98Å; I54-L77 HydrophobicContact CD1-CB 4.48Å; L77-L87 HydrophobicContact CB-CD1 4.37Å; L77-L87 HydrophobicContact CD1-CD1 4.44Å; L77-L87 HydrophobicContact CD1-CD2 4.49Å; L77-F150 WeakPolarHBondContact O-CZ 3.28Å; L77-I604 HydrophobicContact CD2-CD1 4.05Å; L77-I604 HydrophobicContact CD2-CG1 4.29Å; L77-I604 HydrophobicContact CD2-CG2 4.39Å; L77-I620 HydrophobicContact CD1-CD1 4.34Å; L77-I620 HydrophobicContact CD1-CG2 4.21Å; L77-I620 HydrophobicContact CD2-CG2 3.77Å; L77-I651 HydrophobicContact CD1-CD1 4.12Å; L77-I651 HydrophobicContact CD2-CD1 3.8Å; L77-I651 HydrophobicContact CG-CD1 4.42Å; L77-A652 HydrophobicContact CD1-CB 3.91Å
78	V	80.7	Confident	82.6	Confident	41 Å²	41	43.9 Å²	43.9	25%	0.248	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.1	172.6	-168.9	0	0	0	0	109.2	H80 N81 F150	V78-H80 PolarHBondContact O-N 3.26Å; V78-N81 WeakPolarHBondContact O-CB 3.28Å; V78-N81 PolarHBondContact O-N 3.48Å; V78-N81 PolarHBondContact O-OD1 3.43Å; V78-N81 VanDerWaalsContact O-OD1 3.14Å; V78-F150 HydrophobicContact CB-CZ 4.42Å; V78-F150 HydrophobicContact CG2-CE1 3.28Å; V78-F150 HydrophobicContact CG2-CZ 3.29Å
79	Q	68.9	Low	83.2	Confident	113 Å²	113	44.2 Å²	44.2	53%	0.528	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.3	176.7	-164.5	174.6	9	0	0	115.4	L50	L50-Q79 PolarHBondContact O-N 3.25Å
80	H	64.2	Low	83.6	Confident	136 Å²	136	45 Å²	45	63%	0.63	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	1.2	178.3	-67.2	-56.1	0	0	0	114.6	K49 V78 S82	K49-H80 PolarHBondContact NZ-NE2 2.86Å; V78-H80 PolarHBondContact O-N 3.26Å; H80-S82 PolarHBondContact O-N 3.16Å
81	N	62.7	Low	83.7	Confident	42 Å²	42	46.8 Å²	46.8	23%	0.225	24%	0.243	C	C	.	.			trans	-62.4	134.7	178.1	-67	13.6	0	0	0	109.1	V78 L87 A652	V78-N81 WeakPolarHBondContact O-CB 3.28Å; V78-N81 PolarHBondContact O-N 3.48Å; V78-N81 PolarHBondContact O-OD1 3.43Å; V78-N81 VanDerWaalsContact O-OD1 3.14Å; N81-L87 WeakPolarHBondContact ND2-CD2 3.33Å; N81-A652 HydrophobicContact CB-CB 4.41Å
82	S	68.2	Low	83.6	Confident	51 Å²	51	46.6 Å²	46.6	36%	0.357	24%	0.242	S	C	.	.			trans	-69.4	149	174	94.8	0	0	0	0	108.7	H80 D84 D85	H80-S82 PolarHBondContact O-N 3.16Å; S82-D84 PolarHBondContact O-N 3.18Å; S82-D84 PolarHBondContact OG-N 2.68Å; S82-D85 PolarHBondContact N-OD2 3.02Å; S82-D85 WeakPolarHBondContact O-CB 3.29Å; S82-D85 PolarHBondContact O-N 2.86Å; S82-D85 PolarHBondContact OG-N 3.28Å; S82-D85 PolarHBondContact OG-OD1 3.24Å; S82-D85 PolarHBondContact OG-OD2 3.47Å
83	S	71	Confident	83.4	Confident	60 Å²	60	46.6 Å²	46.6	42%	0.42	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.4	174.4	58	0	0	0	0	113.2	H650 W653	S83-H650 PolarHBondContact O-CD2 2.68Å; S83-H650 PolarHBondContact O-NE2 3.01Å; S83-W653 PolarHBondContact O-NE1 3.27Å
84	D	77.9	Confident	82.8	Confident	65 Å²	65	48 Å²	48	35%	0.348	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.3	176.8	-79.6	-10.5	0	0	0	113.3	S82 Q86 N546 K656	S82-D84 PolarHBondContact O-N 3.18Å; S82-D84 PolarHBondContact OG-N 2.68Å; D84-Q86 PolarHBondContact O-N 3.13Å; D84-N546 WeakPolarHBondContact OD1-CB 3.48Å; D84-N546 PolarHBondContact OD1-ND2 3.29Å; D84-N546 PolarHBondContact OD2-ND2 2.89Å; D84-K656 WeakPolarHBondContact O-CE 3.4Å; D84-K656 PolarHBondContact O-NZ 3.35Å
85	D	80.7	Confident	81.8	Confident	71 Å²	71	53.1 Å²	53.1	38%	0.38	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-76	127.8	-176.9	-66.1	-14.6	0	0	0	110.6	S82 W653	S82-D85 PolarHBondContact N-OD2 3.02Å; S82-D85 WeakPolarHBondContact O-CB 3.29Å; S82-D85 PolarHBondContact O-N 2.86Å; S82-D85 PolarHBondContact OG-N 3.28Å; S82-D85 PolarHBondContact OG-OD1 3.24Å; S82-D85 PolarHBondContact OG-OD2 3.47Å; D85-W653 PolarHBondContact O-N 2.97Å
86	Q	90.4	Very high	80.9	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.43	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-90.1	122.3	163.7	-173.2	176.7	-58.1	0	0	108.8	D84 W653 K656	D84-Q86 PolarHBondContact O-N 3.13Å; Q86-W653 CarbonylContact C-O 3.51Å; Q86-W653 VanDerWaalsContact CA-O 3.29Å; Q86-W653 WeakPolarHBondContact CA-O 3.25Å; Q86-W653 HydrophobicContact CB-CB 4.25Å; Q86-W653 HydrophobicContact CG-CB 4.35Å; Q86-K656 HydrophobicContact CB-CD 4.49Å; Q86-K656 HydrophobicContact CB-CG 4.33Å
87	L	91.2	Very high	80.2	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.052	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-61.1	140.8	-179.4	-55	-168.4	0	0	0	110.9	I54 A75 L77 N81 W89 I620 A652 W653	I54-L87 HydrophobicContact CD1-CD1 4.18Å; A75-L87 HydrophobicContact CB-CB 3.88Å; A75-L87 HydrophobicContact CB-CD1 3.87Å; L77-L87 HydrophobicContact CB-CD1 4.37Å; L77-L87 HydrophobicContact CD1-CD1 4.44Å; L77-L87 HydrophobicContact CD1-CD2 4.49Å; N81-L87 WeakPolarHBondContact ND2-CD2 3.33Å; L87-W89 VanDerWaalsContact O-CD1 3.26Å; L87-I620 HydrophobicContact CD1-CD1 3.32Å; L87-I620 HydrophobicContact CG-CD1 3.87Å; L87-A652 HydrophobicContact CD2-CB 4.01Å; L87-A652 HydrophobicContact CG-CB 4.45Å; L87-W653 PolarHBondContact N-O 3.42Å
88	I	89.7	Confident	79.1	Confident	112 Å²	112	61.4 Å²	61.4	57%	0.574	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-72.6	131.9	172.6	-63.6	163.8	0	0	0	108.4	Y90	I88-Y90 HydrophobicContact CB-CE2 4.21Å; I88-Y90 HydrophobicContact CG2-CD1 4.29Å; I88-Y90 HydrophobicContact CG2-CE1 3.68Å; I88-Y90 HydrophobicContact CG2-CE2 4.01Å
89	W	91.5	Very high	78.1	Confident	42 Å²	42	65.3 Å²	65.3	16%	0.159	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-92.2	129.6	176.6	-57.9	-1.9	0	0	0	109.7	P33 P35 F56 F73 L87 L654 R655	P33-W89 HydrophobicContact CB-CH2 4.26Å; P33-W89 HydrophobicContact CB-CZ3 3.96Å; P33-W89 HydrophobicContact CG-CH2 4.09Å; P33-W89 HydrophobicContact CG-CZ3 3.91Å; P35-W89 HydrophobicContact CG-CH2 3.57Å; P35-W89 HydrophobicContact CG-CZ2 3.5Å; P35-W89 VanDerWaalsContact CG-CZ2 3.5Å; P35-W89 HydrophobicContact CG-CZ3 4.38Å; F56-W89 AromaticContact CE2-CD2 3.74Å; F56-W89 HydrophobicContact CE2-CD2 3.74Å; F56-W89 AromaticContact CE2-CE3 3.88Å; F56-W89 HydrophobicContact CE2-CE3 3.88Å; F56-W89 HydrophobicContact CE2-CG 4.1Å; F56-W89 HydrophobicContact CE2-CZ3 4.34Å; F56-W89 HydrophobicContact CZ-CB 3.99Å; F56-W89 AromaticContact CZ-CD1 3.69Å; F56-W89 AromaticContact CZ-CD2 3.65Å; F56-W89 HydrophobicContact CZ-CD2 3.65Å; F56-W89 AromaticContact CZ-CE2 3.97Å; F56-W89 HydrophobicContact CZ-CE3 4.23Å; F56-W89 AromaticContact CZ-CG 3.51Å; F56-W89 HydrophobicContact CZ-CG 3.51Å; F56-W89 AromaticContact CZ-NE1 3.96Å; F73-W89 HydrophobicContact CD1-CB 4.16Å; L87-W89 VanDerWaalsContact O-CD1 3.26Å; W89-L654 WeakPolarHBondContact CZ2-O 3.44Å; W89-L654 PolarHBondContact NE1-O 3.29Å; W89-R655 HydrophobicContact CZ2-CB 4.03Å; W89-R655 HydrophobicContact CZ2-CG 4.35Å
90	Y	90.1	Very high	77.5	Confident	60 Å²	60	67.1 Å²	67.1	24%	0.235	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.9	176.4	-62.4	-71.4	0	0	0	109.4	F73 F74 I88 L92 Q153	F73-Y90 CarbonylContact C-O 3.49Å; F73-Y90 VanDerWaalsContact CA-O 3.28Å; F73-Y90 WeakPolarHBondContact CA-O 3.16Å; F74-Y90 HydrophobicContact CD2-CD2 4.42Å; F74-Y90 HydrophobicContact CE1-CD2 4.35Å; F74-Y90 HydrophobicContact CE1-CG 4.1Å; F74-Y90 AromaticContact CE2-CD2 3.69Å; F74-Y90 HydrophobicContact CE2-CD2 3.69Å; F74-Y90 HydrophobicContact CE2-CG 4.25Å; F74-Y90 AromaticContact CZ-CD2 3.62Å; F74-Y90 HydrophobicContact CZ-CD2 3.62Å; F74-Y90 AromaticContact CZ-CG 3.71Å; F74-Y90 HydrophobicContact CZ-CG 3.71Å; F74-Y90 PolarHBondContact N-O 3.29Å; F74-Y90 PolarHBondContact O-N 3.4Å; I88-Y90 HydrophobicContact CB-CE2 4.21Å; I88-Y90 HydrophobicContact CG2-CD1 4.29Å; I88-Y90 HydrophobicContact CG2-CE1 3.68Å; I88-Y90 HydrophobicContact CG2-CE2 4.01Å; Y90-L92 PolarHBondContact O-N 2.81Å; Y90-Q153 HydrophobicContact CD1-CG 4.05Å; Y90-Q153 HydrophobicContact CE1-CG 3.9Å; Y90-Q153 VanDerWaalsContact CE1-NE2 3.28Å
91	P	89.7	Confident	77	Confident	45 Å²	45	70.5 Å²	70.5	29%	0.292	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133	176.1	28.8	-33.1	0	0	0	109.6	F73 Y156	F73-P91 HydrophobicContact CD1-CB 4.15Å; F73-P91 HydrophobicContact CE1-CB 3.88Å; P91-Y156 HydrophobicContact CB-CE1 4.44Å; P91-Y156 HydrophobicContact CG-CE1 4.26Å
92	L	89.7	Confident	76.5	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	-89.9	-22.3	179.4	-159.5	67	0	0	0	112.3	Y55 L72 F74 Y90 L133 P154 L157	Y55-L92 HydrophobicContact CD1-CD2 4.19Å; Y55-L92 HydrophobicContact CE1-CD2 4.25Å; L72-L92 HydrophobicContact CD2-CD2 3.64Å; L72-L92 HydrophobicContact CG-CB 4.41Å; L72-L92 HydrophobicContact CG-CD2 4.06Å; L72-L92 WeakPolarHBondContact O-CB 3.39Å; L72-L92 PolarHBondContact O-N 3.49Å; F74-L92 HydrophobicContact CD1-CD1 3.72Å; F74-L92 HydrophobicContact CE1-CD1 4.15Å; Y90-L92 PolarHBondContact O-N 2.81Å; L92-L133 HydrophobicContact CD2-CD1 3.59Å; L92-P154 HydrophobicContact CD1-CB 4.42Å; L92-P154 HydrophobicContact CD1-CG 4.18Å; L92-L157 HydrophobicContact CD1-CD1 3.74Å; L92-L157 HydrophobicContact CD1-CD2 4.48Å; L92-L157 HydrophobicContact CD1-CG 3.84Å; L92-L157 HydrophobicContact CD2-CD1 3.53Å; L92-L157 HydrophobicContact CD2-CG 4.4Å; L92-L157 HydrophobicContact CG-CD1 3.49Å; L92-L157 VanDerWaalsContact CG-CD1 3.49Å; L92-L157 HydrophobicContact CG-CG 3.81Å; L92-L157 PolarHBondContact O-N 3.38Å
93	L	87.6	Confident	76	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-121.3	150	-176.3	-52.6	-177.3	0	0	0	110.8	L72 F97 V122 I135 Y156 L159	L72-L93 HydrophobicContact CB-CD1 4.15Å; L72-L93 HydrophobicContact CB-CG 4.3Å; L93-F97 HydrophobicContact CB-CD1 4.44Å; L93-F97 HydrophobicContact CD1-CD1 3.63Å; L93-F97 HydrophobicContact CD1-CE1 3.69Å; L93-F97 HydrophobicContact CD1-CG 4.42Å; L93-V122 HydrophobicContact CD1-CG2 3.83Å; L93-I135 HydrophobicContact CD1-CD1 4.17Å; L93-I135 HydrophobicContact CD1-CG2 4.48Å; L93-I135 HydrophobicContact CD2-CD1 3.94Å; L93-Y156 WeakPolarHBondContact O-CE1 3.35Å; L93-L159 HydrophobicContact CD2-CD1 4.04Å; L93-L159 HydrophobicContact CD2-CD2 3.87Å; L93-L159 HydrophobicContact CD2-CG 4.28Å
94	P	80.7	Confident	75.6	Confident	43 Å²	43	72.1 Å²	72.1	28%	0.279	36%	0.36	S	S	.	.			trans	-68.1	147.8	175.8	29	-32.2	0	0	0	110.6	E96 F97 Y156	P94-E96 PolarHBondContact O-N 2.83Å; P94-F97 HydrophobicContact CG-CB 4.19Å; P94-F97 WeakPolarHBondContact O-CB 2.96Å; P94-F97 PolarHBondContact O-N 2.98Å; P94-Y156 HydrophobicContact CB-CD1 4.38Å; P94-Y156 HydrophobicContact CB-CD2 4Å; P94-Y156 HydrophobicContact CB-CE2 4.13Å; P94-Y156 HydrophobicContact CB-CG 4.12Å
95	N	72.8	Confident	75.1	Confident	108 Å²	108	70.4 Å²	70.4	58%	0.578	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-56.6	-35.7	-178.2	-70.3	-20.8	0	0	0	112.9	F97 V98	N95-F97 PolarHBondContact O-N 3.16Å; N95-V98 PolarHBondContact O-N 2.89Å
96	E	72.9	Confident	74.7	Confident	157 Å²	157	70 Å²	70	73%	0.734	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-66.9	-20.2	-179.3	-61.2	177	-168.3	0	0	113.5	P94 V98 D99	P94-E96 PolarHBondContact O-N 2.83Å; E96-V98 PolarHBondContact O-N 3.31Å; E96-V98 VanDerWaalsContact O-N 3.09Å; E96-D99 PolarHBondContact O-N 3.39Å
97	F	75.7	Confident	73.6	Confident	28 Å²	28	67.7 Å²	67.7	12%	0.123	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-55.4	-32.5	179.3	176.9	-108	0	0	0	111.9	L93 P94 N95 V122 A137 Y142 L159	L93-F97 HydrophobicContact CB-CD1 4.44Å; L93-F97 HydrophobicContact CD1-CD1 3.63Å; L93-F97 HydrophobicContact CD1-CE1 3.69Å; L93-F97 HydrophobicContact CD1-CG 4.42Å; P94-F97 HydrophobicContact CG-CB 4.19Å; P94-F97 WeakPolarHBondContact O-CB 2.96Å; P94-F97 PolarHBondContact O-N 2.98Å; N95-F97 PolarHBondContact O-N 3.16Å; F97-V122 HydrophobicContact CE1-CG2 4.08Å; F97-A137 HydrophobicContact CE1-CB 3.6Å; F97-A137 HydrophobicContact CZ-CB 3.81Å; F97-Y142 AromaticContact CE2-CD1 3.99Å; F97-Y142 HydrophobicContact CE2-CD1 3.99Å; F97-Y142 HydrophobicContact CE2-CD2 4.08Å; F97-Y142 AromaticContact CE2-CE1 3.71Å; F97-Y142 HydrophobicContact CE2-CE1 3.71Å; F97-Y142 AromaticContact CE2-CE2 3.84Å; F97-Y142 HydrophobicContact CE2-CE2 3.84Å; F97-Y142 HydrophobicContact CE2-CG 4.16Å; F97-Y142 AromaticContact CE2-CZ 3.64Å; F97-Y142 HydrophobicContact CZ-CD1 4.34Å; F97-Y142 AromaticContact CZ-CD2 3.64Å; F97-Y142 HydrophobicContact CZ-CD2 3.64Å; F97-Y142 HydrophobicContact CZ-CE1 4.27Å; F97-Y142 AromaticContact CZ-CE2 3.59Å; F97-Y142 HydrophobicContact CZ-CE2 3.59Å; F97-Y142 HydrophobicContact CZ-CG 4.04Å; F97-Y142 AromaticContact CZ-CZ 3.92Å; F97-L159 HydrophobicContact CD2-CD1 3.49Å; F97-L159 VanDerWaalsContact CD2-CD1 3.49Å; F97-L159 HydrophobicContact CE1-CD1 4.44Å; F97-L159 HydrophobicContact CE2-CD1 3.18Å; F97-L159 HydrophobicContact CG-CD1 4.25Å; F97-L159 HydrophobicContact CZ-CD1 3.71Å
98	V	65.1	Low	72.5	Confident	14 Å²	14	67.4 Å²	67.4	9%	0.085	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-90.8	-14.1	-171.7	-140.3	0	0	0	0	112.8	K69 N95 E96 Y100	K69-V98 HydrophobicContact CB-CB 4.13Å; K69-V98 HydrophobicContact CB-CG1 3.3Å; K69-V98 HydrophobicContact CD-CB 4.35Å; K69-V98 HydrophobicContact CD-CG1 3.67Å; K69-V98 WeakPolarHBondContact CD-O 3.49Å; K69-V98 WeakPolarHBondContact CE-O 3.48Å; K69-V98 HydrophobicContact CG-CG1 4.15Å; K69-V98 PolarHBondContact NZ-O 3.1Å; N95-V98 PolarHBondContact O-N 2.89Å; E96-V98 PolarHBondContact O-N 3.31Å; E96-V98 VanDerWaalsContact O-N 3.09Å; V98-Y100 PolarHBondContact O-N 3.14Å
99	D	60	Low	71.9	Confident	122 Å²	122	63.3 Å²	63.3	65%	0.652	33%	0.326	S	S	*	.			trans	-77.5	1.3	-173.2	-88.7	-23.3	0	0	0	114.9	E96 K101	E96-D99 PolarHBondContact O-N 3.39Å; D99-K101 PolarHBondContact O-N 3.39Å; D99-K101 VanDerWaalsContact O-N 3.11Å
100	Y	56.6	Low	71.4	Confident	151 Å²	151	62.3 Å²	62.3	59%	0.592	32%	0.324	S	S	*	.			trans	-64.4	117.3	177	-81.7	-86.7	0	0	0	111.7	K69 V98 N102	K69-Y100 PolarHBondContact NZ-O 3.01Å; V98-Y100 PolarHBondContact O-N 3.14Å; Y100-N102 PolarHBondContact O-N 3.31Å
101	K	53.2	Low	70.8	Confident	207 Å²	207	59.9 Å²	59.9	90%	0.9	32%	0.315	S	S	*	.			trans	-75.6	47.5	170.7	-72.6	-175	176.2	179.2	0	111.4	D99 S103	D99-K101 PolarHBondContact O-N 3.39Å; D99-K101 VanDerWaalsContact O-N 3.11Å; K101-S103 PolarHBondContact O-N 2.88Å
102	N	52.4	Low	70.2	Confident	73 Å²	73	58 Å²	58	39%	0.39	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-75.6	121.4	170.9	-75.8	-3.8	0	0	0	108.2	Y100 L104 E140	Y100-N102 PolarHBondContact O-N 3.31Å; N102-L104 PolarHBondContact O-N 2.92Å; N102-E140 PolarHBondContact ND2-OE1 2.52Å; N102-E140 VanDerWaalsContact ND2-OE1 3.1Å
103	S	56.1	Low	69.6	Low	93 Å²	93	59 Å²	59	65%	0.65	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-61.9	116.1	167.2	57.3	0	0	0	0	107.7	K101	K101-S103 PolarHBondContact O-N 2.88Å
104	L	63	Low	69.4	Low	22 Å²	22	60 Å²	60	12%	0.115	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59.2	141.4	179.9	-149.7	79.6	0	0	0	109.5	N102 D108 F109 V119 S139	N102-L104 PolarHBondContact O-N 2.92Å; L104-D108 HydrophobicContact CD2-CB 4.01Å; L104-D108 HydrophobicContact CG-CB 4.03Å; L104-F109 HydrophobicContact CD2-CB 3.86Å; L104-V119 WeakPolarHBondContact CD1-O 2.93Å; L104-V119 HydrophobicContact CD2-CB 4.17Å; L104-S139 WeakPolarHBondContact CD1-OG 3.37Å; L104-S139 VanDerWaalsContact CG-OG 3.24Å; L104-S139 WeakPolarHBondContact CG-OG 3.43Å
105	A	67.4	Low	69.4	Low	28 Å²	28	59.7 Å²	59.7	23%	0.231	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.9	143.7	170	0	0	0	0	0	109.6	A107 D108 F109 S166	A105-A107 VanDerWaalsContact C-N 3.28Å; A105-A107 PolarHBondContact O-N 3.18Å; A105-D108 PolarHBondContact O-N 2.64Å; A105-D108 VanDerWaalsContact O-N 3.11Å; A105-F109 PolarHBondContact O-N 3.09Å; A105-S166 VanDerWaalsContact CB-OG 3.29Å; A105-S166 WeakPolarHBondContact CB-OG 3.48Å
106	L	72.8	Confident	69.6	Low	62 Å²	62	58.2 Å²	58.2	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-56.2	-42.3	-177.6	176	61.3	0	0	0	112.3	D108 F109 L110 E268	L106-D108 VanDerWaalsContact C-N 3.29Å; L106-D108 PolarHBondContact O-N 3.4Å; L106-F109 WeakPolarHBondContact O-CB 3.32Å; L106-F109 PolarHBondContact O-N 3.33Å; L106-L110 HydrophobicContact CD1-CD1 4.06Å; L106-L110 HydrophobicContact CD1-CD2 4.39Å; L106-L110 HydrophobicContact CD1-CG 3.95Å; L106-L110 HydrophobicContact CG-CD1 3.96Å; L106-L110 HydrophobicContact CG-CG 4.29Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.27Å; L106-L110 PolarHBondContact O-N 2.72Å; L106-E268 WeakPolarHBondContact CD1-OE2 3.32Å; L106-E268 HydrophobicContact CD2-CG 3.86Å
107	A	68.3	Low	69.6	Low	45 Å²	45	53.9 Å²	53.9	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-57.2	-43.2	178.2	0	0	0	0	0	112.2	A105 L110 I111	A105-A107 VanDerWaalsContact C-N 3.28Å; A105-A107 PolarHBondContact O-N 3.18Å; A107-L110 PolarHBondContact O-N 3.03Å; A107-I111 WeakPolarHBondContact O-CG1 3.25Å; A107-I111 PolarHBondContact O-N 2.97Å
108	D	68.2	Low	69.2	Low	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-71.6	-38.8	-179.6	-60.5	-14.5	0	0	0	110.8	L104 A105 L106 L110 I111 H112 S139 S166 I168	L104-D108 HydrophobicContact CD2-CB 4.01Å; L104-D108 HydrophobicContact CG-CB 4.03Å; A105-D108 PolarHBondContact O-N 2.64Å; A105-D108 VanDerWaalsContact O-N 3.11Å; L106-D108 VanDerWaalsContact C-N 3.29Å; L106-D108 PolarHBondContact O-N 3.4Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.21Å; D108-I111 PolarHBondContact O-N 3.49Å; D108-H112 PolarHBondContact O-N 3.3Å; D108-H112 PolarHBondContact O-ND1 2.93Å; D108-S139 WeakPolarHBondContact CB-OG 3.34Å; D108-S139 VanDerWaalsContact CG-OG 3.3Å; D108-S139 WeakPolarHBondContact OD2-CB 3.45Å; D108-S139 PolarHBondContact OD2-OG 2.96Å; D108-S166 WeakPolarHBondContact OD2-CA 3.15Å; D108-I168 HydrophobicContact CB-CG2 4.02Å; D108-I168 WeakPolarHBondContact OD1-CG2 3.34Å
109	F	76	Confident	69.2	Low	26 Å²	26	55.9 Å²	55.9	11%	0.114	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-49.4	173.9	176.7	-83.9	0	0	0	110.6	L104 A105 L106 I111 H112 E113 V119	L104-F109 HydrophobicContact CD2-CB 3.86Å; A105-F109 PolarHBondContact O-N 3.09Å; L106-F109 WeakPolarHBondContact O-CB 3.32Å; L106-F109 PolarHBondContact O-N 3.33Å; F109-I111 PolarHBondContact O-N 2.94Å; F109-H112 PolarHBondContact O-N 3.08Å; F109-E113 HydrophobicContact CD1-CG 4.11Å; F109-E113 HydrophobicContact CE1-CG 3.34Å; F109-E113 HydrophobicContact CE2-CG 4.37Å; F109-E113 HydrophobicContact CZ-CG 3.51Å; F109-E113 PolarHBondContact O-N 2.92Å; F109-V119 HydrophobicContact CD2-CB 4.46Å; F109-V119 HydrophobicContact CD2-CG1 3.96Å; F109-V119 HydrophobicContact CE2-CG1 4.05Å
110	L	81	Confident	70.1	Confident	20 Å²	20	51.8 Å²	51.8	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-39.7	-179.1	-68.5	174.6	0	0	0	112.6	L106 A107 D108 E113 R114 E926 R956	L106-L110 HydrophobicContact CD1-CD1 4.06Å; L106-L110 HydrophobicContact CD1-CD2 4.39Å; L106-L110 HydrophobicContact CD1-CG 3.95Å; L106-L110 HydrophobicContact CG-CD1 3.96Å; L106-L110 HydrophobicContact CG-CG 4.29Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.27Å; L106-L110 PolarHBondContact O-N 2.72Å; A107-L110 PolarHBondContact O-N 3.03Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.21Å; L110-E113 PolarHBondContact O-N 2.97Å; L110-R114 VanDerWaalsContact O-CG 3.32Å; L110-R114 WeakPolarHBondContact O-CG 3.15Å; L110-R114 PolarHBondContact O-N 2.96Å; L110-E926 HydrophobicContact CD2-CG 4.19Å; L110-R956 VanDerWaalsContact CD2-NH1 3.32Å
111	I	78.5	Confident	71.4	Confident	9 Å²	9	44.6 Å²	44.6	5%	0.046	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-41.4	177.4	-74.1	166.5	0	0	0	111	A107 D108 F109 R114 M115 I168 I214	A107-I111 WeakPolarHBondContact O-CG1 3.25Å; A107-I111 PolarHBondContact O-N 2.97Å; D108-I111 PolarHBondContact O-N 3.49Å; F109-I111 PolarHBondContact O-N 2.94Å; I111-R114 PolarHBondContact O-N 3.42Å; I111-M115 HydrophobicContact CG2-CE 3.66Å; I111-M115 HydrophobicContact CG2-CG 4.39Å; I111-M115 HydrophobicContact CG2-SD 4.1Å; I111-M115 WeakPolarHBondContact O-CB 3.42Å; I111-M115 VanDerWaalsContact O-CG 3.31Å; I111-M115 WeakPolarHBondContact O-CG 3.48Å; I111-M115 PolarHBondContact O-N 3.36Å; I111-I168 HydrophobicContact CB-CD1 4.47Å; I111-I168 HydrophobicContact CD1-CD1 3.22Å; I111-I168 HydrophobicContact CG1-CD1 4.41Å; I111-I168 HydrophobicContact CG2-CD1 4.39Å; I111-I214 HydrophobicContact CD1-CG2 4.47Å
112	H	76.2	Confident	73	Confident	5 Å²	5	34.8 Å²	34.8	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-36.5	174.7	-67.8	113.7	0	0	0	112.6	D108 F109 R114 M115 R116 V117 V119 T123	D108-H112 PolarHBondContact O-N 3.3Å; D108-H112 PolarHBondContact O-ND1 2.93Å; F109-H112 PolarHBondContact O-N 3.08Å; H112-R114 VanDerWaalsContact C-N 3.33Å; H112-R114 PolarHBondContact O-N 2.85Å; H112-M115 HydrophobicContact CB-CE 4.49Å; H112-M115 PolarHBondContact O-N 3.01Å; H112-R116 PolarHBondContact O-N 3.4Å; H112-V117 HydrophobicContact CB-CG2 4.11Å; H112-V117 PolarHBondContact O-N 3.01Å; H112-V119 HydrophobicContact CB-CB 4.46Å; H112-V119 HydrophobicContact CB-CG1 3.69Å; H112-T123 PolarHBondContact NE2-OG1 2.92Å
113	E	77.4	Confident	74.6	Confident	22 Å²	22	32.3 Å²	32.3	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-42.3	172.7	-80	-63.7	121	0	0	111.7	F109 L110 R116	F109-E113 HydrophobicContact CD1-CG 4.11Å; F109-E113 HydrophobicContact CE1-CG 3.34Å; F109-E113 HydrophobicContact CE2-CG 4.37Å; F109-E113 HydrophobicContact CZ-CG 3.51Å; F109-E113 PolarHBondContact O-N 2.92Å; L110-E113 PolarHBondContact O-N 2.97Å; E113-R116 VanDerWaalsContact O-CD 3.25Å; E113-R116 WeakPolarHBondContact O-CD 3.38Å; E113-R116 PolarHBondContact O-N 3.33Å; E113-R116 PolarHBondContact O-NH1 3.41Å
114	R	83.9	Confident	76.2	Confident	22 Å²	22	30.2 Å²	30.2	8%	0.083	17%	0.172	C	C	.	.	H	α-helix	trans	-71.5	-40.7	178.1	-69	173.3	-176.6	123.4	13.9	113.2	L110 I111 H112 R116 F217 Q220 E221 Y226	L110-R114 VanDerWaalsContact O-CG 3.32Å; L110-R114 WeakPolarHBondContact O-CG 3.15Å; L110-R114 PolarHBondContact O-N 2.96Å; I111-R114 PolarHBondContact O-N 3.42Å; H112-R114 VanDerWaalsContact C-N 3.33Å; H112-R114 PolarHBondContact O-N 2.85Å; R114-R116 PolarHBondContact O-N 3.37Å; R114-F217 VanDerWaalsContact NH2-CD2 3.28Å; R114-Q220 HydrophobicContact CB-CB 4.49Å; R114-Q220 VanDerWaalsContact NH1-OE1 3.11Å; R114-E221 WeakPolarHBondContact CG-OE2 3.34Å; R114-Y226 HydrophobicContact CB-CE1 4.45Å
115	M	79	Confident	77.6	Confident	36 Å²	36	29.2 Å²	29.2	18%	0.177	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-10.4	171.7	-70.7	-173.2	-54.3	0	0	113.3	I111 H112 V117 Q169 Y226	I111-M115 HydrophobicContact CG2-CE 3.66Å; I111-M115 HydrophobicContact CG2-CG 4.39Å; I111-M115 HydrophobicContact CG2-SD 4.1Å; I111-M115 WeakPolarHBondContact O-CB 3.42Å; I111-M115 VanDerWaalsContact O-CG 3.31Å; I111-M115 WeakPolarHBondContact O-CG 3.48Å; I111-M115 PolarHBondContact O-N 3.36Å; H112-M115 HydrophobicContact CB-CE 4.49Å; H112-M115 PolarHBondContact O-N 3.01Å; M115-V117 HydrophobicContact CB-CG1 4.31Å; M115-V117 HydrophobicContact CB-CG2 3.9Å; M115-V117 HydrophobicContact CE-CG2 3.78Å; M115-V117 PolarHBondContact O-N 2.93Å; M115-Q169 PolarHBondContact SD-NE2 2.71Å; M115-Y226 HydrophobicContact CB-CE1 4.5Å; M115-Y226 HydrophobicContact CG-CD1 3.54Å; M115-Y226 HydrophobicContact CG-CD2 3.74Å; M115-Y226 HydrophobicContact CG-CE1 3.82Å; M115-Y226 HydrophobicContact CG-CE2 3.98Å; M115-Y226 HydrophobicContact CG-CG 3.5Å; M115-Y226 HydrophobicContact SD-CD2 4.31Å; M115-Y226 HydrophobicContact SD-CG 4.14Å
116	R	77.3	Confident	78.9	Confident	76 Å²	76	28.6 Å²	28.6	29%	0.287	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	25.6	179.7	-57.4	-63.5	173.8	-149.7	6.1	114.2	H112 E113 R114 E221 R958	H112-R116 PolarHBondContact O-N 3.4Å; E113-R116 VanDerWaalsContact O-CD 3.25Å; E113-R116 WeakPolarHBondContact O-CD 3.38Å; E113-R116 PolarHBondContact O-N 3.33Å; E113-R116 PolarHBondContact O-NH1 3.41Å; R114-R116 PolarHBondContact O-N 3.37Å; R116-E221 IonicContact CZ-OE1 3.4Å; R116-E221 IonicContact NH2-OE1 2.74Å; R116-E221 PolarHBondContact NH2-OE1 3.48Å; R116-E221 IonicContact NH2-OE2 3.71Å; R116-R958 PolarHBondContact O-NH1 2.94Å
117	V	72.6	Confident	79.9	Confident	66 Å²	66	27.1 Å²	27.1	40%	0.4	15%	0.152	S	C	.	.	S	Bend	trans	-105.3	173.9	-178.1	-62.4	0	0	0	0	113	H112 M115	H112-V117 HydrophobicContact CB-CG2 4.11Å; H112-V117 PolarHBondContact O-N 3.01Å; M115-V117 HydrophobicContact CB-CG1 4.31Å; M115-V117 HydrophobicContact CB-CG2 3.9Å; M115-V117 HydrophobicContact CE-CG2 3.78Å; M115-V117 PolarHBondContact O-N 2.93Å
118	S	67.6	Low	81.1	Confident	40 Å²	40	25.7 Å²	25.7	28%	0.28	14%	0.14	S	C	.	.			trans	-61.5	136.3	173.9	-178.2	0	0	0	0	111.2	S120 T123	S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact OG-N 3.13Å; S118-S120 PolarHBondContact OG-O 2.61Å; S118-T123 VanDerWaalsContact O-CG2 3.22Å; S118-T123 WeakPolarHBondContact O-CG2 3.32Å
119	V	66.3	Low	82	Confident	44 Å²	44	31.7 Å²	31.7	27%	0.267	17%	0.172	S	C	.	.	S	Bend	trans	-84	-6	174.7	-66	0	0	0	0	113.3	L104 F109 H112	L104-V119 WeakPolarHBondContact CD1-O 2.93Å; L104-V119 HydrophobicContact CD2-CB 4.17Å; F109-V119 HydrophobicContact CD2-CB 4.46Å; F109-V119 HydrophobicContact CD2-CG1 3.96Å; F109-V119 HydrophobicContact CE2-CG1 4.05Å; H112-V119 HydrophobicContact CB-CB 4.46Å; H112-V119 HydrophobicContact CB-CG1 3.69Å
120	S	77.4	Confident	82.5	Confident	37 Å²	37	33.2 Å²	33.2	26%	0.259	19%	0.185	S	C	.	.	S	Bend	trans	-139.1	156.8	-174.2	70	0	0	0	0	112.7	P70 S118	P70-S120 VanDerWaalsContact CD-O 3.27Å; P70-S120 WeakPolarHBondContact CD-O 3.21Å; P70-S120 VanDerWaalsContact CG-O 3.29Å; P70-S120 WeakPolarHBondContact CG-O 3.18Å; S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact OG-N 3.13Å; S118-S120 PolarHBondContact OG-O 2.61Å
121	G	83.8	Confident	82.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	79.7	-158.8	-172.9	0	0	0	0	0	112.7	P70 T123 A137 S138	P70-G121 WeakPolarHBondContact O-CA 3.4Å; G121-T123 PolarHBondContact O-N 2.87Å; G121-A137 VanDerWaalsContact O-CA 3.22Å; G121-A137 WeakPolarHBondContact O-CA 3.21Å; G121-S138 PolarHBondContact O-N 2.95Å
122	V	88.6	Confident	83.6	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	116.8	171.5	-179.4	0	0	0	0	107.8	I57 P70 L93 F97 I135 A137	I57-V122 HydrophobicContact CD1-CG1 3.82Å; I57-V122 HydrophobicContact CG1-CG1 3.98Å; P70-V122 PolarHBondContact O-N 2.97Å; L93-V122 HydrophobicContact CD1-CG2 3.83Å; F97-V122 HydrophobicContact CE1-CG2 4.08Å; V122-I135 HydrophobicContact CG1-CG2 3.77Å; V122-I135 HydrophobicContact CG2-CG2 4Å; V122-A137 HydrophobicContact CG2-CB 4.22Å
123	T	85.7	Confident	84.5	Confident	20 Å²	20	33.2 Å²	33.2	12%	0.123	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-31.1	-175.9	61	0	0	0	0	112.4	H112 S118 G121 C136	H112-T123 PolarHBondContact NE2-OG1 2.92Å; S118-T123 VanDerWaalsContact O-CG2 3.22Å; S118-T123 WeakPolarHBondContact O-CG2 3.32Å; G121-T123 PolarHBondContact O-N 2.87Å; T123-C136 PolarHBondContact N-O 3.23Å
124	N	89	Confident	85.3	Confident	50 Å²	50	32.3 Å²	32.3	27%	0.267	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.7	177.3	-160.3	-3.2	0	0	0	110.8	C136	N124-C136 HydrophobicContact CB-CB 4.42Å; N124-C136 WeakPolarHBondContact O-CB 3.34Å; N124-C136 PolarHBondContact O-N 3.45Å
125	Y	93.2	Very high	85.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154.7	170.7	69.3	-76.9	0	0	0	112.9	V37 K39 Y55 I57 L72 L127 L133 I134	V37-Y125 HydrophobicContact CB-CE1 4.07Å; V37-Y125 HydrophobicContact CG1-CD1 4.04Å; V37-Y125 HydrophobicContact CG1-CE1 3.67Å; V37-Y125 WeakPolarHBondContact O-CE1 3.42Å; V37-Y125 VanDerWaalsContact O-CZ 3.31Å; V37-Y125 PolarHBondContact O-OH 3.43Å; K39-Y125 HydrophobicContact CB-CE2 4.22Å; K39-Y125 WeakPolarHBondContact CB-OH 3.27Å; K39-Y125 HydrophobicContact CD-CD2 4.37Å; K39-Y125 HydrophobicContact CD-CE2 3.72Å; K39-Y125 HydrophobicContact CG-CE2 4.12Å; K39-Y125 WeakPolarHBondContact CG-OH 3.35Å; K39-Y125 PolarHBondContact N-OH 3.38Å; K39-Y125 PolarHBondContact NZ-O 2.9Å; Y55-Y125 WeakPolarHBondContact CB-OH 3.39Å; Y55-Y125 PolarHBondContact O-OH 3.12Å; I57-Y125 HydrophobicContact CD1-CD1 4.03Å; I57-Y125 HydrophobicContact CD1-CE1 4.36Å; I57-Y125 HydrophobicContact CG1-CD1 4.04Å; I57-Y125 HydrophobicContact CG1-CE1 4.06Å; L72-Y125 HydrophobicContact CD1-CD1 3.75Å; L72-Y125 HydrophobicContact CD1-CD2 4.37Å; L72-Y125 HydrophobicContact CD1-CE1 3.68Å; L72-Y125 HydrophobicContact CD1-CE2 4.29Å; L72-Y125 HydrophobicContact CD1-CG 4.12Å; Y125-L127 HydrophobicContact CD2-CB 4.38Å; Y125-L127 HydrophobicContact CE2-CB 4.16Å; Y125-L133 HydrophobicContact CD2-CD2 3.72Å; Y125-L133 HydrophobicContact CE2-CD2 4.16Å; Y125-I134 CarbonylContact C-O 3.51Å; Y125-I134 WeakPolarHBondContact CA-O 3.33Å; Y125-I134 VanDerWaalsContact CB-O 3.29Å; Y125-I134 WeakPolarHBondContact CB-O 3.48Å
126	C	94.6	Very high	86.2	Confident	15 Å²	15	29.7 Å²	29.7	10%	0.101	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.6	165.7	-53.5	0	0	0	0	110.3	L133 I134 P170 M172	C126-L133 WeakPolarHBondContact O-CA 3.13Å; C126-I134 HydrophobicContact CB-CB 4.13Å; C126-I134 PolarHBondContact N-O 3.21Å; C126-I134 PolarHBondContact O-N 2.93Å; C126-P170 PolarHBondContact SG-O 3.48Å; C126-M172 HydrophobicContact CB-CE 3.74Å; C126-M172 HydrophobicContact CB-CG 3.81Å; C126-M172 HydrophobicContact CB-SD 3.71Å
127	L	94.3	Very high	86.6	Confident	31 Å²	31	26.3 Å²	26.3	16%	0.162	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.4	177	173.9	64.8	0	0	0	108.2	K39 R41 Y55 Y125 K132 L133	K39-L127 HydrophobicContact CB-CD2 3.78Å; K39-L127 HydrophobicContact CD-CB 3.95Å; R41-L127 HydrophobicContact CB-CD2 4.13Å; Y55-L127 HydrophobicContact CD2-CD1 4.42Å; Y55-L127 HydrophobicContact CD2-CD2 3.43Å; Y55-L127 VanDerWaalsContact CD2-CD2 3.43Å; Y55-L127 HydrophobicContact CE2-CD1 4.13Å; Y55-L127 HydrophobicContact CE2-CD2 3.73Å; Y55-L127 HydrophobicContact CG-CD2 4.09Å; Y125-L127 HydrophobicContact CD2-CB 4.38Å; Y125-L127 HydrophobicContact CE2-CB 4.16Å; L127-K132 WeakPolarHBondContact CA-O 3.46Å; L127-L133 HydrophobicContact CB-CD2 4.14Å; L127-L133 HydrophobicContact CD1-CD2 3.67Å; L127-L133 HydrophobicContact CD1-CG 4.04Å; L127-L133 HydrophobicContact CG-CD2 4.46Å
128	S	92.8	Very high	86.8	Confident	16 Å²	16	24 Å²	24	11%	0.112	14%	0.144	C	C	.	.			trans	-101.1	161	170.7	72.7	0	0	0	0	111.7	C130 G131 K132	S128-C130 PolarHBondContact O-N 3.36Å; S128-C130 PolarHBondContact OG-SG 3.42Å; S128-G131 PolarHBondContact O-N 3.49Å; S128-G131 PolarHBondContact OG-N 2.92Å; S128-K132 PolarHBondContact N-O 2.72Å; S128-K132 WeakPolarHBondContact OG-CB 3.25Å; S128-K132 PolarHBondContact OG-N 2.95Å
129	D	86.6	Confident	87.3	Confident	129 Å²	129	22.5 Å²	22.5	69%	0.69	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.7	177.5	-63.3	-31.1	0	0	0	112.9	R41 G131	R41-D129 PolarHBondContact NE-O 2.81Å; D129-G131 PolarHBondContact O-N 2.77Å
130	C	87	Confident	88.2	Confident	58 Å²	58	21.7 Å²	21.7	39%	0.392	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.1	175.7	63.9	0	0	0	0	114.2	R41 S128	R41-C130 PolarHBondContact NH2-O 2.92Å; S128-C130 PolarHBondContact O-N 3.36Å; S128-C130 PolarHBondContact OG-SG 3.42Å
131	G	89.6	Confident	88.8	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.			trans	95.9	5.5	174.9	0	0	0	0	0	116	R41 S128 D129 E145 D146	R41-G131 VanDerWaalsContact CZ-N 3.31Å; S128-G131 PolarHBondContact O-N 3.49Å; S128-G131 PolarHBondContact OG-N 2.92Å; D129-G131 PolarHBondContact O-N 2.77Å; G131-E145 CarbonylContact O-C 3.48Å; G131-E145 WeakPolarHBondContact O-CA 3.32Å; G131-D146 PolarHBondContact O-N 3.22Å
132	K	92.9	Very high	89.2	Confident	34 Å²	34	21.2 Å²	21.2	15%	0.148	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.3	173	-63.4	177.7	-170.6	163.3	0	109.2	L127 S128 E145 M172 S177 D178	L127-K132 WeakPolarHBondContact CA-O 3.46Å; S128-K132 PolarHBondContact N-O 2.72Å; S128-K132 WeakPolarHBondContact OG-CB 3.25Å; S128-K132 PolarHBondContact OG-N 2.95Å; K132-E145 HydrophobicContact CG-CB 4.48Å; K132-E145 HydrophobicContact CG-CG 3.96Å; K132-M172 HydrophobicContact CB-CE 4.19Å; K132-M172 WeakPolarHBondContact O-CE 3.26Å; K132-S177 PolarHBondContact NZ-OG 3.43Å; K132-D178 IonicContact NZ-OD1 3.67Å; K132-D178 PolarHBondContact NZ-OD1 2.84Å; K132-D178 IonicContact NZ-OD2 3.64Å; K132-D178 PolarHBondContact NZ-OD2 3.1Å
133	L	94.5	Very high	89.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.7	-179.8	-76.6	159.8	0	0	0	108.8	Y55 L72 L92 Y125 C126 L127 I135 S143 T144 D146 L157	Y55-L133 HydrophobicContact CD1-CD2 4.45Å; Y55-L133 HydrophobicContact CE1-CD1 4.15Å; L72-L133 HydrophobicContact CD2-CD2 4.45Å; L92-L133 HydrophobicContact CD2-CD1 3.59Å; Y125-L133 HydrophobicContact CD2-CD2 3.72Å; Y125-L133 HydrophobicContact CE2-CD2 4.16Å; C126-L133 WeakPolarHBondContact O-CA 3.13Å; L127-L133 HydrophobicContact CB-CD2 4.14Å; L127-L133 HydrophobicContact CD1-CD2 3.67Å; L127-L133 HydrophobicContact CD1-CG 4.04Å; L127-L133 HydrophobicContact CG-CD2 4.46Å; L133-I135 HydrophobicContact CB-CG1 4.43Å; L133-S143 WeakPolarHBondContact O-CA 3.49Å; L133-T144 HydrophobicContact CB-CG2 3.73Å; L133-T144 HydrophobicContact CD1-CG2 4.21Å; L133-T144 PolarHBondContact N-O 3.01Å; L133-T144 PolarHBondContact O-N 3.29Å; L133-D146 HydrophobicContact CD1-CB 4.28Å; L133-L157 HydrophobicContact CD1-CD1 3.75Å
134	I	95	Very high	89.8	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114	168.1	-58.5	-62.7	0	0	0	107.2	Y125 C126 I141 Y142 P170 M172 I180 I193	Y125-I134 CarbonylContact C-O 3.51Å; Y125-I134 WeakPolarHBondContact CA-O 3.33Å; Y125-I134 VanDerWaalsContact CB-O 3.29Å; Y125-I134 WeakPolarHBondContact CB-O 3.48Å; C126-I134 HydrophobicContact CB-CB 4.13Å; C126-I134 PolarHBondContact N-O 3.21Å; C126-I134 PolarHBondContact O-N 2.93Å; I134-I141 HydrophobicContact CG2-CG2 3.42Å; I134-I141 VanDerWaalsContact CG2-CG2 3.42Å; I134-Y142 CarbonylContact C-O 3.45Å; I134-Y142 WeakPolarHBondContact CA-O 3.37Å; I134-P170 HydrophobicContact CG2-CB 3.66Å; I134-P170 HydrophobicContact CG2-CG 3.91Å; I134-M172 HydrophobicContact CB-CE 4.26Å; I134-M172 HydrophobicContact CG1-CE 3.53Å; I134-M172 HydrophobicContact CG1-CG 4.49Å; I134-I180 HydrophobicContact CD1-CD1 4.05Å; I134-I180 HydrophobicContact CD1-CG1 3.9Å; I134-I180 HydrophobicContact CG1-CD1 3.59Å; I134-I180 HydrophobicContact CG1-CG1 3.88Å; I134-I180 HydrophobicContact CG2-CG2 4.45Å; I134-I193 HydrophobicContact CD1-CD1 3.59Å; I134-I193 HydrophobicContact CD1-CG1 3.95Å
135	I	92.6	Very high	89.9	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.5	-171.5	-57.4	174.9	0	0	0	108.1	L72 L93 V122 L133 I141 Y142 T144 L159	L72-I135 HydrophobicContact CD2-CD1 3.71Å; L72-I135 HydrophobicContact CD2-CG1 4.07Å; L93-I135 HydrophobicContact CD1-CD1 4.17Å; L93-I135 HydrophobicContact CD1-CG2 4.48Å; L93-I135 HydrophobicContact CD2-CD1 3.94Å; V122-I135 HydrophobicContact CG1-CG2 3.77Å; V122-I135 HydrophobicContact CG2-CG2 4Å; L133-I135 HydrophobicContact CB-CG1 4.43Å; I135-I141 WeakPolarHBondContact O-CA 3.4Å; I135-Y142 PolarHBondContact N-O 2.84Å; I135-Y142 PolarHBondContact O-N 3.11Å; I135-T144 HydrophobicContact CD1-CG2 4.21Å; I135-L159 HydrophobicContact CD1-CD2 4.04Å
136	C	88.9	Confident	89.7	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.02	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117	171.6	-177.5	0	0	0	0	108.5	T123 N124 E140 P170	T123-C136 PolarHBondContact N-O 3.23Å; N124-C136 HydrophobicContact CB-CB 4.42Å; N124-C136 WeakPolarHBondContact O-CB 3.34Å; N124-C136 PolarHBondContact O-N 3.45Å; C136-E140 WeakPolarHBondContact CA-O 3.32Å; C136-P170 HydrophobicContact CB-CG 4.28Å
137	A	85.3	Confident	89.1	Confident	6 Å²	6	29.9 Å²	29.9	5%	0.05	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	123.7	178.5	0	0	0	0	0	110.5	F97 G121 V122 S139 E140 Y142	F97-A137 HydrophobicContact CE1-CB 3.6Å; F97-A137 HydrophobicContact CZ-CB 3.81Å; G121-A137 VanDerWaalsContact O-CA 3.22Å; G121-A137 WeakPolarHBondContact O-CA 3.21Å; V122-A137 HydrophobicContact CG2-CB 4.22Å; A137-S139 PolarHBondContact O-N 3.49Å; A137-E140 PolarHBondContact N-O 2.91Å; A137-E140 PolarHBondContact O-N 3.38Å; A137-Y142 HydrophobicContact CB-CE2 4.37Å
138	S	77.6	Confident	88.3	Confident	18 Å²	18	30 Å²	30	13%	0.126	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	55.2	177	-72.9	0	0	0	0	114.1	G121 E140	G121-S138 PolarHBondContact O-N 2.95Å; S138-E140 VanDerWaalsContact C-N 3.26Å; S138-E140 PolarHBondContact O-N 2.81Å
139	S	76.8	Confident	87.3	Confident	8 Å²	8	31.9 Å²	31.9	6%	0.056	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	15.6	177.7	-64.1	0	0	0	0	116.1	L104 D108 A137 S166 A167	L104-S139 WeakPolarHBondContact CD1-OG 3.37Å; L104-S139 VanDerWaalsContact CG-OG 3.24Å; L104-S139 WeakPolarHBondContact CG-OG 3.43Å; D108-S139 WeakPolarHBondContact CB-OG 3.34Å; D108-S139 VanDerWaalsContact CG-OG 3.3Å; D108-S139 WeakPolarHBondContact OD2-CB 3.45Å; D108-S139 PolarHBondContact OD2-OG 2.96Å; A137-S139 PolarHBondContact O-N 3.49Å; S139-S166 WeakPolarHBondContact O-CA 3.41Å; S139-S166 PolarHBondContact O-N 3.24Å; S139-A167 CarbonylContact C-O 3.57Å; S139-A167 PolarHBondContact O-N 3.36Å
140	E	86	Confident	86.6	Confident	27 Å²	27	27.9 Å²	27.9	13%	0.126	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.7	-177.5	-60.4	179.7	157.6	0	0	110.2	N102 C136 A137 S138 Y142 K161	N102-E140 PolarHBondContact ND2-OE1 2.52Å; N102-E140 VanDerWaalsContact ND2-OE1 3.1Å; C136-E140 WeakPolarHBondContact CA-O 3.32Å; A137-E140 PolarHBondContact N-O 2.91Å; A137-E140 PolarHBondContact O-N 3.38Å; S138-E140 VanDerWaalsContact C-N 3.26Å; S138-E140 PolarHBondContact O-N 2.81Å; E140-Y142 HydrophobicContact CB-CD2 4.46Å; E140-Y142 HydrophobicContact CB-CE2 3.64Å; E140-Y142 PolarHBondContact OE2-OH 2.88Å; E140-K161 WeakPolarHBondContact OE1-CE 3.32Å; E140-K161 IonicContact OE1-NZ 2.65Å; E140-K161 PolarHBondContact OE1-NZ 2.93Å; E140-K161 WeakPolarHBondContact OE2-CE 3.39Å; E140-K161 IonicContact OE2-NZ 3.62Å; E140-K161 PolarHBondContact OE2-NZ 3.24Å
141	I	89.8	Confident	85.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.5	177.6	-62.7	173.3	0	0	0	108.8	I134 I135 T162 A167 P170 C182	I134-I141 HydrophobicContact CG2-CG2 3.42Å; I134-I141 VanDerWaalsContact CG2-CG2 3.42Å; I135-I141 WeakPolarHBondContact O-CA 3.4Å; I141-T162 HydrophobicContact CB-CG2 3.73Å; I141-T162 HydrophobicContact CG2-CG2 3.64Å; I141-T162 WeakPolarHBondContact O-CG2 3.48Å; I141-T162 PolarHBondContact O-N 2.86Å; I141-T162 PolarHBondContact O-OG1 3.26Å; I141-A167 HydrophobicContact CD1-CB 3.57Å; I141-A167 HydrophobicContact CG1-CB 3.88Å; I141-P170 HydrophobicContact CD1-CB 4.14Å; I141-P170 HydrophobicContact CD1-CG 4.43Å; I141-C182 HydrophobicContact CD1-CB 3.51Å
142	Y	92.8	Very high	84.7	Confident	26 Å²	26	33 Å²	33	10%	0.102	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.6	175.6	-62	-95.1	0	0	0	109	F97 I134 I135 A137 E140 L159 I160 K161	F97-Y142 AromaticContact CE2-CD1 3.99Å; F97-Y142 HydrophobicContact CE2-CD1 3.99Å; F97-Y142 HydrophobicContact CE2-CD2 4.08Å; F97-Y142 AromaticContact CE2-CE1 3.71Å; F97-Y142 HydrophobicContact CE2-CE1 3.71Å; F97-Y142 AromaticContact CE2-CE2 3.84Å; F97-Y142 HydrophobicContact CE2-CE2 3.84Å; F97-Y142 HydrophobicContact CE2-CG 4.16Å; F97-Y142 AromaticContact CE2-CZ 3.64Å; F97-Y142 HydrophobicContact CZ-CD1 4.34Å; F97-Y142 AromaticContact CZ-CD2 3.64Å; F97-Y142 HydrophobicContact CZ-CD2 3.64Å; F97-Y142 HydrophobicContact CZ-CE1 4.27Å; F97-Y142 AromaticContact CZ-CE2 3.59Å; F97-Y142 HydrophobicContact CZ-CE2 3.59Å; F97-Y142 HydrophobicContact CZ-CG 4.04Å; F97-Y142 AromaticContact CZ-CZ 3.92Å; I134-Y142 CarbonylContact C-O 3.45Å; I134-Y142 WeakPolarHBondContact CA-O 3.37Å; I135-Y142 PolarHBondContact N-O 2.84Å; I135-Y142 PolarHBondContact O-N 3.11Å; A137-Y142 HydrophobicContact CB-CE2 4.37Å; E140-Y142 HydrophobicContact CB-CD2 4.46Å; E140-Y142 HydrophobicContact CB-CE2 3.64Å; E140-Y142 PolarHBondContact OE2-OH 2.88Å; Y142-L159 HydrophobicContact CD1-CB 3.98Å; Y142-L159 HydrophobicContact CD1-CD1 4.18Å; Y142-L159 HydrophobicContact CG-CD1 4.4Å; Y142-I160 WeakPolarHBondContact CA-O 3.34Å; Y142-K161 HydrophobicContact CD1-CB 3.83Å; Y142-K161 HydrophobicContact CD1-CG 4.21Å; Y142-K161 HydrophobicContact CE1-CB 3.66Å; Y142-K161 HydrophobicContact CE1-CD 4.03Å; Y142-K161 HydrophobicContact CE1-CG 3.77Å
143	S	93.6	Very high	83.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.8	174.2	61.4	0	0	0	0	110.6	L133 I160	L133-S143 WeakPolarHBondContact O-CA 3.49Å; S143-I160 PolarHBondContact N-O 3.21Å; S143-I160 PolarHBondContact O-N 3.02Å; S143-I160 PolarHBondContact OG-O 2.85Å
144	T	93	Very high	81.8	Confident	20 Å²	20	39 Å²	39	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	177.6	175.6	-166.5	0	0	0	0	110.2	L133 I135 L157 E158 L159	L133-T144 HydrophobicContact CB-CG2 3.73Å; L133-T144 HydrophobicContact CD1-CG2 4.21Å; L133-T144 PolarHBondContact N-O 3.01Å; L133-T144 PolarHBondContact O-N 3.29Å; I135-T144 HydrophobicContact CD1-CG2 4.21Å; T144-L157 HydrophobicContact CG2-CB 4.12Å; T144-L157 HydrophobicContact CG2-CD1 3.58Å; T144-L157 WeakPolarHBondContact OG1-CB 3.32Å; T144-E158 VanDerWaalsContact CB-O 3.27Å; T144-E158 WeakPolarHBondContact CB-O 3.43Å; T144-E158 PolarHBondContact OG1-O 2.93Å; T144-L159 HydrophobicContact CG2-CD2 3.82Å
145	E	91.1	Very high	80.7	Confident	57 Å²	57	45.9 Å²	45.9	27%	0.266	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	124.2	178.7	-165.4	-179.4	154	0	0	110	G131 K132 R147	G131-E145 CarbonylContact O-C 3.48Å; G131-E145 WeakPolarHBondContact O-CA 3.32Å; K132-E145 HydrophobicContact CG-CB 4.48Å; K132-E145 HydrophobicContact CG-CG 3.96Å; E145-R147 HydrophobicContact CB-CG 4.42Å; E145-R147 HydrophobicContact CG-CG 3.84Å; E145-R147 PolarHBondContact O-N 3.04Å; E145-R147 WeakPolarHBondContact OE1-CG 3.42Å; E145-R147 IonicContact OE1-CZ 2.88Å; E145-R147 IonicContact OE1-NE 2.81Å; E145-R147 PolarHBondContact OE1-NE 3.49Å; E145-R147 IonicContact OE1-NH2 3.85Å; E145-R147 IonicContact OE2-CZ 2.99Å; E145-R147 IonicContact OE2-NE 3.28Å; E145-R147 PolarHBondContact OE2-NE 2.82Å; E145-R147 VanDerWaalsContact OE2-NE 3.16Å; E145-R147 IonicContact OE2-NH2 3.84Å; E145-R147 PolarHBondContact OE2-NH2 3.06Å
146	D	89	Confident	80.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.			trans	-85.3	96.2	170	-175.8	12.2	0	0	0	109.9	R41 R53 Y55 G131 L133 T148 L157	R41-D146 PolarHBondContact NH1-O 3.42Å; R53-D146 WeakPolarHBondContact CD-OD2 3.35Å; R53-D146 IonicContact CZ-OD2 3.62Å; R53-D146 IonicContact NH1-OD1 3.8Å; R53-D146 PolarHBondContact NH1-OD1 3.49Å; R53-D146 IonicContact NH1-OD2 2.92Å; R53-D146 PolarHBondContact NH1-OD2 2.96Å; Y55-D146 HydrophobicContact CE1-CB 4.46Å; Y55-D146 PolarHBondContact OH-OD2 3.41Å; G131-D146 PolarHBondContact O-N 3.22Å; L133-D146 HydrophobicContact CD1-CB 4.28Å; D146-T148 WeakPolarHBondContact OD1-CB 3.3Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.35Å; D146-T148 PolarHBondContact OD1-N 3.44Å; D146-T148 PolarHBondContact OD1-OG1 3.26Å; D146-L157 HydrophobicContact CB-CD1 4.29Å
147	R	82.6	Confident	80	Confident	191 Å²	191	52.4 Å²	52.4	72%	0.721	27%	0.266	S	S	*	.			trans	-96.2	5.1	174.2	-62.9	-172.5	177.9	163.3	10.4	113.4	E145	E145-R147 HydrophobicContact CB-CG 4.42Å; E145-R147 HydrophobicContact CG-CG 3.84Å; E145-R147 PolarHBondContact O-N 3.04Å; E145-R147 WeakPolarHBondContact OE1-CG 3.42Å; E145-R147 IonicContact OE1-CZ 2.88Å; E145-R147 IonicContact OE1-NE 2.81Å; E145-R147 PolarHBondContact OE1-NE 3.49Å; E145-R147 IonicContact OE1-NH2 3.85Å; E145-R147 IonicContact OE2-CZ 2.99Å; E145-R147 IonicContact OE2-NE 3.28Å; E145-R147 PolarHBondContact OE2-NE 2.82Å; E145-R147 VanDerWaalsContact OE2-NE 3.16Å; E145-R147 IonicContact OE2-NH2 3.84Å; E145-R147 PolarHBondContact OE2-NH2 3.06Å
148	T	77.3	Confident	80.1	Confident	33 Å²	33	60.1 Å²	60.1	20%	0.202	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-70.7	142	-173.9	61.2	0	0	0	0	110.8	R53 D146 P154	R53-T148 PolarHBondContact NH1-OG1 3.12Å; D146-T148 WeakPolarHBondContact OD1-CB 3.3Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.35Å; D146-T148 PolarHBondContact OD1-N 3.44Å; D146-T148 PolarHBondContact OD1-OG1 3.26Å; T148-P154 HydrophobicContact CG2-CB 3.78Å; T148-P154 HydrophobicContact CG2-CG 4Å
149	C	71.3	Confident	80.6	Confident	55 Å²	55	61.3 Å²	61.3	37%	0.372	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-68.4	157.9	177.3	-69.4	0	0	0	0	110.2	R53 G151 E152	R53-C149 PolarHBondContact NH2-O 2.88Å; C149-G151 PolarHBondContact O-N 2.9Å; C149-E152 HydrophobicContact CB-CG 4.08Å; C149-E152 PolarHBondContact N-OE2 3.18Å; C149-E152 PolarHBondContact O-N 3.4Å
150	F	71.3	Confident	81.3	Confident	45 Å²	45	64.8 Å²	64.8	20%	0.197	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	131.1	176	-173	-83.8	0	0	0	110.8	V43 C51 D76 L77 V78 E152	V43-F150 HydrophobicContact CB-CD2 4.42Å; V43-F150 HydrophobicContact CG1-CB 4.14Å; C51-F150 HydrophobicContact CB-CD2 3.75Å; C51-F150 HydrophobicContact CB-CE2 3.83Å; C51-F150 HydrophobicContact CB-CG 4.27Å; C51-F150 HydrophobicContact CB-CZ 4.45Å; D76-F150 HydrophobicContact CB-CE1 4.34Å; D76-F150 HydrophobicContact CB-CE2 3.77Å; D76-F150 HydrophobicContact CB-CZ 3.64Å; L77-F150 WeakPolarHBondContact O-CZ 3.28Å; V78-F150 HydrophobicContact CB-CZ 4.42Å; V78-F150 HydrophobicContact CG2-CE1 3.28Å; V78-F150 HydrophobicContact CG2-CZ 3.29Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 3.13Å
151	G	67.3	Low	81.6	Confident	57 Å²	57	67.8 Å²	67.8	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-8.1	179.8	0	0	0	0	0	116	D76 C149	D76-G151 PolarHBondContact OD2-N 3.38Å; C149-G151 PolarHBondContact O-N 2.9Å
152	E	69.3	Low	81.7	Confident	110 Å²	110	68 Å²	68	51%	0.514	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-75.9	135.3	167.6	-66	-173.4	157.5	0	0	109.4	C149 F150 P154	C149-E152 HydrophobicContact CB-CG 4.08Å; C149-E152 PolarHBondContact N-OE2 3.18Å; C149-E152 PolarHBondContact O-N 3.4Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 3.13Å; E152-P154 VanDerWaalsContact O-CD 3.24Å; E152-P154 WeakPolarHBondContact O-CD 3.38Å
153	Q	66.7	Low	81.6	Confident	140 Å²	140	71.3 Å²	71.3	65%	0.654	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-71.4	119	165.7	-77.2	-175	-4.8	0	0	107.9	Y90 N155	Y90-Q153 HydrophobicContact CD1-CG 4.05Å; Y90-Q153 HydrophobicContact CE1-CG 3.9Å; Y90-Q153 VanDerWaalsContact CE1-NE2 3.28Å; Q153-N155 PolarHBondContact O-N 3.31Å
154	P	61.3	Low	81.4	Confident	18 Å²	18	72.3 Å²	72.3	12%	0.117	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-57.4	133.2	169.3	-19.4	30.7	0	0	0	108.9	F74 L92 T148 E152	F74-P154 HydrophobicContact CD1-CG 4.3Å; F74-P154 HydrophobicContact CE1-CG 3.37Å; F74-P154 HydrophobicContact CZ-CG 3.57Å; L92-P154 HydrophobicContact CD1-CB 4.42Å; L92-P154 HydrophobicContact CD1-CG 4.18Å; T148-P154 HydrophobicContact CG2-CB 3.78Å; T148-P154 HydrophobicContact CG2-CG 4Å; E152-P154 VanDerWaalsContact O-CD 3.24Å; E152-P154 WeakPolarHBondContact O-CD 3.38Å
155	N	71.8	Confident	80.9	Confident	148 Å²	148	74.5 Å²	74.5	79%	0.791	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-54.1	148.4	144.4	-70.8	-37.1	0	0	0	107.3	Q153 L157	Q153-N155 PolarHBondContact O-N 3.31Å; N155-L157 PolarHBondContact O-N 3.16Å
156	Y	82.4	Confident	80.4	Confident	123 Å²	123	73 Å²	73	48%	0.482	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-46.3	132	173.9	-65.8	-55.1	0	0	0	110.5	P91 L93 P94 E158	P91-Y156 HydrophobicContact CB-CE1 4.44Å; P91-Y156 HydrophobicContact CG-CE1 4.26Å; L93-Y156 WeakPolarHBondContact O-CE1 3.35Å; P94-Y156 HydrophobicContact CB-CD1 4.38Å; P94-Y156 HydrophobicContact CB-CD2 4Å; P94-Y156 HydrophobicContact CB-CE2 4.13Å; P94-Y156 HydrophobicContact CB-CG 4.12Å; Y156-E158 PolarHBondContact O-N 2.94Å
157	L	84.4	Confident	80.3	Confident	18 Å²	18	73 Å²	73	9%	0.094	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.5	138.3	-176.9	-67.5	-173.4	0	0	0	110.5	L92 L133 T144 D146 N155 L159	L92-L157 HydrophobicContact CD1-CD1 3.74Å; L92-L157 HydrophobicContact CD1-CD2 4.48Å; L92-L157 HydrophobicContact CD1-CG 3.84Å; L92-L157 HydrophobicContact CD2-CD1 3.53Å; L92-L157 HydrophobicContact CD2-CG 4.4Å; L92-L157 HydrophobicContact CG-CD1 3.49Å; L92-L157 VanDerWaalsContact CG-CD1 3.49Å; L92-L157 HydrophobicContact CG-CG 3.81Å; L92-L157 PolarHBondContact O-N 3.38Å; L133-L157 HydrophobicContact CD1-CD1 3.75Å; T144-L157 HydrophobicContact CG2-CB 4.12Å; T144-L157 HydrophobicContact CG2-CD1 3.58Å; T144-L157 WeakPolarHBondContact OG1-CB 3.32Å; D146-L157 HydrophobicContact CB-CD1 4.29Å; N155-L157 PolarHBondContact O-N 3.16Å; L157-L159 PolarHBondContact O-N 3.41Å
158	E	86.3	Confident	80.5	Confident	167 Å²	167	64.2 Å²	64.2	78%	0.78	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-73.9	121.6	172.6	-172	177.8	180	0	0	109.2	T144 Y156	T144-E158 VanDerWaalsContact CB-O 3.27Å; T144-E158 WeakPolarHBondContact CB-O 3.43Å; T144-E158 PolarHBondContact OG1-O 2.93Å; Y156-E158 PolarHBondContact O-N 2.94Å
159	L	89.5	Confident	81	Confident	43 Å²	43	63.9 Å²	63.9	23%	0.225	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-100.3	127.8	-176.5	-61.1	-178.9	0	0	0	111.1	L93 F97 I135 Y142 T144 L157	L93-L159 HydrophobicContact CD2-CD1 4.04Å; L93-L159 HydrophobicContact CD2-CD2 3.87Å; L93-L159 HydrophobicContact CD2-CG 4.28Å; F97-L159 HydrophobicContact CD2-CD1 3.49Å; F97-L159 VanDerWaalsContact CD2-CD1 3.49Å; F97-L159 HydrophobicContact CE1-CD1 4.44Å; F97-L159 HydrophobicContact CE2-CD1 3.18Å; F97-L159 HydrophobicContact CG-CD1 4.25Å; F97-L159 HydrophobicContact CZ-CD1 3.71Å; I135-L159 HydrophobicContact CD1-CD2 4.04Å; Y142-L159 HydrophobicContact CD1-CB 3.98Å; Y142-L159 HydrophobicContact CD1-CD1 4.18Å; Y142-L159 HydrophobicContact CG-CD1 4.4Å; T144-L159 HydrophobicContact CG2-CD2 3.82Å; L157-L159 PolarHBondContact O-N 3.41Å
160	I	91.8	Very high	82	Confident	82 Å²	82	61.5 Å²	61.5	42%	0.421	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.3	170.8	-57.5	168.7	0	0	0	108.2	Y142 S143 N196	Y142-I160 WeakPolarHBondContact CA-O 3.34Å; S143-I160 PolarHBondContact N-O 3.21Å; S143-I160 PolarHBondContact O-N 3.02Å; S143-I160 PolarHBondContact OG-O 2.85Å; I160-N196 HydrophobicContact CG2-CB 4.32Å; I160-N196 WeakPolarHBondContact CG2-ND2 3.46Å
161	K	92	Very high	83.2	Confident	90 Å²	90	62 Å²	62	39%	0.391	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.6	175.4	-173	176.9	173.3	165	0	110.8	E140 Y142 N196	E140-K161 WeakPolarHBondContact OE1-CE 3.32Å; E140-K161 IonicContact OE1-NZ 2.65Å; E140-K161 PolarHBondContact OE1-NZ 2.93Å; E140-K161 WeakPolarHBondContact OE2-CE 3.39Å; E140-K161 IonicContact OE2-NZ 3.62Å; E140-K161 PolarHBondContact OE2-NZ 3.24Å; Y142-K161 HydrophobicContact CD1-CB 3.83Å; Y142-K161 HydrophobicContact CD1-CG 4.21Å; Y142-K161 HydrophobicContact CE1-CB 3.66Å; Y142-K161 HydrophobicContact CE1-CD 4.03Å; Y142-K161 HydrophobicContact CE1-CG 3.77Å; K161-N196 PolarHBondContact O-ND2 3.33Å
162	T	90.6	Very high	84.5	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.025	31%	0.308	C	S	.	.			trans	-72.8	151.3	173	68.4	0	0	0	0	111.1	I141 L164 W198	I141-T162 HydrophobicContact CB-CG2 3.73Å; I141-T162 HydrophobicContact CG2-CG2 3.64Å; I141-T162 WeakPolarHBondContact O-CG2 3.48Å; I141-T162 PolarHBondContact O-N 2.86Å; I141-T162 PolarHBondContact O-OG1 3.26Å; T162-L164 PolarHBondContact O-N 2.91Å; T162-W198 HydrophobicContact CG2-CH2 4.16Å; T162-W198 HydrophobicContact CG2-CZ2 3.24Å
163	P	92.2	Very high	85.8	Confident	96 Å²	96	55.4 Å²	55.4	62%	0.623	29%	0.285	S	S	*	.	S	Bend	trans	-71.3	-4.1	174.7	31.2	-36.6	0	0	0	113.8	W198	P163-W198 VanDerWaalsContact CD-CD1 3.4Å; P163-W198 HydrophobicContact CG-CB 4.5Å; P163-W198 HydrophobicContact CG-CG 4.29Å
164	L	88	Confident	87.1	Confident	21 Å²	21	52.9 Å²	52.9	11%	0.11	28%	0.28	C	S	.	.			trans	-80	147.5	-179.9	-61.1	178.2	0	0	0	111.7	T162 A167 C182 F189 W198	T162-L164 PolarHBondContact O-N 2.91Å; L164-A167 HydrophobicContact CB-CB 3.91Å; L164-A167 HydrophobicContact CD1-CB 4.38Å; L164-C182 VanDerWaalsContact CD1-SG 3.57Å; L164-F189 HydrophobicContact CD1-CB 3.8Å; L164-F189 HydrophobicContact CD1-CD1 4.38Å; L164-F189 HydrophobicContact CD1-CD2 4.49Å; L164-F189 HydrophobicContact CD1-CG 3.99Å; L164-F189 HydrophobicContact CD2-CD1 3.65Å; L164-F189 HydrophobicContact CD2-CD2 4.46Å; L164-F189 HydrophobicContact CD2-CE1 3.84Å; L164-F189 HydrophobicContact CD2-CG 3.99Å; L164-F189 HydrophobicContact CD2-CZ 4.33Å; L164-W198 HydrophobicContact CD1-CB 4.45Å; L164-W198 HydrophobicContact CD1-CD2 3.74Å; L164-W198 HydrophobicContact CD1-CE3 3.37Å; L164-W198 HydrophobicContact CD1-CG 4.22Å; L164-W198 HydrophobicContact CD1-CZ3 3.89Å; L164-W198 HydrophobicContact CD2-CB 4.38Å; L164-W198 HydrophobicContact CG-CB 4.36Å; L164-W198 HydrophobicContact CG-CD2 4.23Å; L164-W198 HydrophobicContact CG-CE3 4.33Å; L164-W198 HydrophobicContact CG-CG 4.25Å
165	S	82.5	Confident	88.5	Confident	67 Å²	67	55.6 Å²	55.6	47%	0.469	29%	0.29	S	S	.	.	S	Bend	trans	-107.7	148.3	170.3	60.1	0	0	0	0	110.1	A167 S184	S165-A167 PolarHBondContact O-N 3.31Å; S165-S184 PolarHBondContact O-OG 3.15Å
166	S	81.8	Confident	89.6	Confident	24 Å²	24	49.8 Å²	49.8	17%	0.168	26%	0.259	C	S	.	.	S	Bend	trans	56.6	41.8	175.8	-42.4	0	0	0	0	112.1	A105 D108 S139 S184	A105-S166 VanDerWaalsContact CB-OG 3.29Å; A105-S166 WeakPolarHBondContact CB-OG 3.48Å; D108-S166 WeakPolarHBondContact OD2-CA 3.15Å; S139-S166 WeakPolarHBondContact O-CA 3.41Å; S139-S166 PolarHBondContact O-N 3.24Å; S166-S184 WeakPolarHBondContact O-CA 2.97Å
167	A	86.2	Confident	90.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.7	-174.5	0	0	0	0	0	110.1	S139 I141 L164 S165 S183	S139-A167 CarbonylContact C-O 3.57Å; S139-A167 PolarHBondContact O-N 3.36Å; I141-A167 HydrophobicContact CD1-CB 3.57Å; I141-A167 HydrophobicContact CG1-CB 3.88Å; L164-A167 HydrophobicContact CB-CB 3.91Å; L164-A167 HydrophobicContact CD1-CB 4.38Å; S165-A167 PolarHBondContact O-N 3.31Å; A167-S183 CarbonylContact C-O 3.4Å; A167-S183 VanDerWaalsContact CA-O 3.29Å; A167-S183 WeakPolarHBondContact CA-O 3.36Å
168	I	86	Confident	90.6	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.5	-171.5	55.4	164.7	0	0	0	112.7	D108 I111 C182 S183	D108-I168 HydrophobicContact CB-CG2 4.02Å; D108-I168 WeakPolarHBondContact OD1-CG2 3.34Å; I111-I168 HydrophobicContact CB-CD1 4.47Å; I111-I168 HydrophobicContact CD1-CD1 3.22Å; I111-I168 HydrophobicContact CG1-CD1 4.41Å; I111-I168 HydrophobicContact CG2-CD1 4.39Å; I168-C182 WeakPolarHBondContact O-CB 3.35Å; I168-S183 PolarHBondContact N-O 3.43Å; I168-S183 PolarHBondContact O-N 3.48Å; I168-S183 VanDerWaalsContact O-N 3.08Å
169	Q	88	Confident	91	Very high	27 Å²	27	38 Å²	38	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55	43.5	175.2	-61	-62.4	-24.9	0	0	114.8	M115 I171 V227 Y229	M115-Q169 PolarHBondContact SD-NE2 2.71Å; Q169-I171 PolarHBondContact O-N 3.44Å; Q169-V227 HydrophobicContact CB-CG1 3.87Å; Q169-V227 HydrophobicContact CG-CG1 4.02Å; Q169-Y229 WeakPolarHBondContact CB-OH 3.44Å; Q169-Y229 PolarHBondContact O-OH 3.49Å
170	P	93.2	Very high	91.3	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	141.1	-178.8	25.7	-34	0	0	0	112.1	C126 I134 C136 I141 I180 V181	C126-P170 PolarHBondContact SG-O 3.48Å; I134-P170 HydrophobicContact CG2-CB 3.66Å; I134-P170 HydrophobicContact CG2-CG 3.91Å; C136-P170 HydrophobicContact CB-CG 4.28Å; I141-P170 HydrophobicContact CD1-CB 4.14Å; I141-P170 HydrophobicContact CD1-CG 4.43Å; P170-I180 HydrophobicContact CB-CG2 3.96Å; P170-V181 CarbonylContact C-O 3.57Å; P170-V181 VanDerWaalsContact CA-O 3.31Å; P170-V181 WeakPolarHBondContact CA-O 3.29Å
171	I	95.7	Very high	91.6	Very high	56 Å²	56	32 Å²	32	29%	0.287	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.3	171.9	-56.1	-178.9	0	0	0	109.5	Q169 I180 V181 V227 Y229 W231	Q169-I171 PolarHBondContact O-N 3.44Å; I171-I180 WeakPolarHBondContact O-CA 3.48Å; I171-V181 HydrophobicContact CB-CG1 3.9Å; I171-V181 PolarHBondContact N-O 3.25Å; I171-V181 WeakPolarHBondContact O-CG1 3.46Å; I171-V181 PolarHBondContact O-N 3.49Å; I171-V227 HydrophobicContact CD1-CG1 4.49Å; I171-Y229 HydrophobicContact CB-CE2 4.25Å; I171-Y229 HydrophobicContact CD1-CD2 3.98Å; I171-Y229 HydrophobicContact CD1-CE2 3.57Å; I171-Y229 HydrophobicContact CG1-CE2 3.84Å; I171-W231 PolarHBondContact O-NE1 2.86Å; I171-W231 VanDerWaalsContact O-NE1 3.17Å
172	M	95.7	Very high	91.7	Very high	25 Å²	25	27.7 Å²	27.7	12%	0.123	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.5	172.3	-74.9	171.7	175.8	0	0	111.5	C126 K132 I134 I180	C126-M172 HydrophobicContact CB-CE 3.74Å; C126-M172 HydrophobicContact CB-CG 3.81Å; C126-M172 HydrophobicContact CB-SD 3.71Å; K132-M172 HydrophobicContact CB-CE 4.19Å; K132-M172 WeakPolarHBondContact O-CE 3.26Å; I134-M172 HydrophobicContact CB-CE 4.26Å; I134-M172 HydrophobicContact CG1-CE 3.53Å; I134-M172 HydrophobicContact CG1-CG 4.49Å; M172-I180 HydrophobicContact CB-CD1 3.99Å; M172-I180 HydrophobicContact CE-CD1 4.45Å; M172-I180 HydrophobicContact CG-CD1 3.25Å
173	C	96	Very high	91.8	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.3	167.6	174.5	0	0	0	0	109.5	F175 N176 L179 W231	C173-F175 VanDerWaalsContact C-N 3.27Å; C173-F175 PolarHBondContact O-N 3.46Å; C173-N176 HydrophobicContact CB-CB 4.48Å; C173-N176 WeakPolarHBondContact CB-O 3.31Å; C173-N176 CarbonylContact O-C 3.59Å; C173-N176 PolarHBondContact O-N 3.37Å; C173-L179 HydrophobicContact CB-CB 3.85Å; C173-L179 WeakPolarHBondContact CB-O 3.4Å; C173-L179 PolarHBondContact N-O 2.99Å; C173-W231 HydrophobicContact CB-CD2 3.92Å; C173-W231 HydrophobicContact CB-CE3 4.35Å; C173-W231 HydrophobicContact CB-CG 4.23Å; C173-W231 HydrophobicContact CB-CZ2 4.24Å
174	P	92.8	Very high	91.6	Very high	86 Å²	86	23.3 Å²	23.3	56%	0.558	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28	-168.7	21.5	-32.1	0	0	0	113.9	W231	P174-W231 VanDerWaalsContact CD-CB 3.49Å; P174-W231 HydrophobicContact CG-CB 4.24Å
175	F	92.5	Very high	91.4	Very high	75 Å²	75	26.3 Å²	26.3	33%	0.329	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	2.3	179.2	59.9	-95	0	0	0	113.5	C173 R232 P233 T234 M235 Y241	C173-F175 VanDerWaalsContact C-N 3.27Å; C173-F175 PolarHBondContact O-N 3.46Å; F175-R232 VanDerWaalsContact CE1-O 3.26Å; F175-R232 WeakPolarHBondContact CE1-O 3.28Å; F175-P233 VanDerWaalsContact CD1-O 3.27Å; F175-P233 WeakPolarHBondContact CD1-O 3.42Å; F175-T234 WeakPolarHBondContact CE1-O 3.48Å; F175-M235 HydrophobicContact CE2-CB 4.05Å; F175-M235 HydrophobicContact CE2-CE 3.9Å; F175-M235 HydrophobicContact CE2-SD 4.25Å; F175-M235 HydrophobicContact CZ-CB 4.3Å; F175-Y241 HydrophobicContact CD2-CE1 4.1Å; F175-Y241 AromaticContact CE2-CD1 3.58Å; F175-Y241 HydrophobicContact CE2-CD1 3.58Å; F175-Y241 AromaticContact CE2-CE1 3.26Å; F175-Y241 HydrophobicContact CE2-CE1 3.26Å; F175-Y241 AromaticContact CZ-CD1 3.7Å; F175-Y241 HydrophobicContact CZ-CD1 3.7Å; F175-Y241 AromaticContact CZ-CE1 3.9Å; F175-Y241 HydrophobicContact CZ-CE1 3.9Å
176	N	94.4	Very high	91.6	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	92.7	173.7	-175	-8.2	0	0	0	110.8	C173 D178 L179 Y241	C173-N176 HydrophobicContact CB-CB 4.48Å; C173-N176 WeakPolarHBondContact CB-O 3.31Å; C173-N176 CarbonylContact O-C 3.59Å; C173-N176 PolarHBondContact O-N 3.37Å; N176-D178 PolarHBondContact O-N 2.94Å; N176-D178 WeakPolarHBondContact OD1-CB 3.49Å; N176-D178 PolarHBondContact OD1-N 3.36Å; N176-L179 HydrophobicContact CB-CD1 4.42Å; N176-L179 PolarHBondContact O-N 3.42Å; N176-Y241 HydrophobicContact CB-CE1 3.88Å; N176-Y241 PolarHBondContact ND2-OH 3.48Å
177	S	93.8	Very high	92	Very high	27 Å²	27	26.6 Å²	26.6	19%	0.189	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-9	-179.6	59.6	0	0	0	0	115.4	K132 L179	K132-S177 PolarHBondContact NZ-OG 3.43Å; S177-L179 VanDerWaalsContact C-N 3.35Å
178	D	93.9	Very high	92.5	Very high	33 Å²	33	26.6 Å²	26.6	18%	0.176	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-16.2	173.2	-70.1	-47.3	0	0	0	113.7	K132 N176 Y192 I193 P194	K132-D178 IonicContact NZ-OD1 3.67Å; K132-D178 PolarHBondContact NZ-OD1 2.84Å; K132-D178 IonicContact NZ-OD2 3.64Å; K132-D178 PolarHBondContact NZ-OD2 3.1Å; N176-D178 PolarHBondContact O-N 2.94Å; N176-D178 WeakPolarHBondContact OD1-CB 3.49Å; N176-D178 PolarHBondContact OD1-N 3.36Å; D178-Y192 HydrophobicContact CB-CD2 3.79Å; D178-Y192 HydrophobicContact CB-CE2 3.39Å; D178-Y192 CarbonylContact O-C 3.6Å; D178-Y192 WeakPolarHBondContact O-CA 3.41Å; D178-I193 PolarHBondContact O-N 2.92Å; D178-P194 HydrophobicContact CB-CG 4.08Å; D178-P194 WeakPolarHBondContact OD1-CD 3.3Å; D178-P194 WeakPolarHBondContact OD1-CG 3.41Å
179	L	95.3	Very high	93	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.5	180	-71.8	172.5	0	0	0	110.9	C173 N176 S177 I190 G191 Y192 W231 Y241 F289 L291	C173-L179 HydrophobicContact CB-CB 3.85Å; C173-L179 WeakPolarHBondContact CB-O 3.4Å; C173-L179 PolarHBondContact N-O 2.99Å; N176-L179 HydrophobicContact CB-CD1 4.42Å; N176-L179 PolarHBondContact O-N 3.42Å; S177-L179 VanDerWaalsContact C-N 3.35Å; L179-I190 HydrophobicContact CD2-CG2 4.24Å; L179-G191 WeakPolarHBondContact CA-O 3.45Å; L179-Y192 HydrophobicContact CD2-CD2 3.95Å; L179-Y192 HydrophobicContact CG-CD2 4.42Å; L179-W231 HydrophobicContact CB-CZ2 4.49Å; L179-Y241 HydrophobicContact CD1-CD1 3.48Å; L179-Y241 VanDerWaalsContact CD1-CD1 3.48Å; L179-Y241 HydrophobicContact CD1-CD2 4.29Å; L179-Y241 HydrophobicContact CD1-CE1 3.34Å; L179-Y241 HydrophobicContact CD1-CE2 4.19Å; L179-Y241 HydrophobicContact CD1-CG 3.97Å; L179-F289 HydrophobicContact CD1-CE2 4.24Å; L179-F289 HydrophobicContact CD1-CZ 4.11Å; L179-F289 HydrophobicContact CD2-CE2 4.48Å; L179-F289 HydrophobicContact CD2-CZ 4.49Å; L179-L291 HydrophobicContact CD1-CD2 4.18Å; L179-L291 HydrophobicContact CD2-CD1 4.31Å; L179-L291 HydrophobicContact CD2-CD2 4.27Å; L179-L291 HydrophobicContact CG-CD2 4.31Å
180	I	95.9	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.1	178.1	-50.2	-55	0	0	0	109	I134 P170 I171 M172 I190 G191 I193 W198	I134-I180 HydrophobicContact CD1-CD1 4.05Å; I134-I180 HydrophobicContact CD1-CG1 3.9Å; I134-I180 HydrophobicContact CG1-CD1 3.59Å; I134-I180 HydrophobicContact CG1-CG1 3.88Å; I134-I180 HydrophobicContact CG2-CG2 4.45Å; P170-I180 HydrophobicContact CB-CG2 3.96Å; I171-I180 WeakPolarHBondContact O-CA 3.48Å; M172-I180 HydrophobicContact CB-CD1 3.99Å; M172-I180 HydrophobicContact CE-CD1 4.45Å; M172-I180 HydrophobicContact CG-CD1 3.25Å; I180-I190 CarbonylContact O-C 3.59Å; I180-I190 VanDerWaalsContact O-CA 3.27Å; I180-I190 WeakPolarHBondContact O-CA 3.14Å; I180-G191 PolarHBondContact N-O 2.87Å; I180-G191 PolarHBondContact O-N 3.02Å; I180-I193 HydrophobicContact CD1-CG1 4.33Å; I180-I193 HydrophobicContact CG1-CD1 3.63Å; I180-I193 HydrophobicContact CG1-CG1 3.62Å; I180-W198 HydrophobicContact CB-CH2 3.99Å; I180-W198 HydrophobicContact CG2-CH2 3.98Å
181	V	96.9	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.5	164.4	62.8	0	0	0	0	109.2	P170 I171 I188 F189 I190 Y229 W231 L243	P170-V181 CarbonylContact C-O 3.57Å; P170-V181 VanDerWaalsContact CA-O 3.31Å; P170-V181 WeakPolarHBondContact CA-O 3.29Å; I171-V181 HydrophobicContact CB-CG1 3.9Å; I171-V181 PolarHBondContact N-O 3.25Å; I171-V181 WeakPolarHBondContact O-CG1 3.46Å; I171-V181 PolarHBondContact O-N 3.49Å; V181-I188 HydrophobicContact CG2-CG2 3.43Å; V181-I188 VanDerWaalsContact CG2-CG2 3.43Å; V181-F189 CarbonylContact C-O 3.53Å; V181-F189 VanDerWaalsContact CA-O 3.31Å; V181-F189 WeakPolarHBondContact CA-O 3.31Å; V181-I190 HydrophobicContact CB-CG1 4.35Å; V181-I190 HydrophobicContact CG2-CG1 4.34Å; V181-Y229 HydrophobicContact CB-CD2 4.34Å; V181-Y229 HydrophobicContact CB-CE2 4.34Å; V181-Y229 HydrophobicContact CG1-CD2 3.45Å; V181-Y229 VanDerWaalsContact CG1-CD2 3.45Å; V181-Y229 HydrophobicContact CG1-CE2 3.44Å; V181-Y229 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y229 HydrophobicContact CG2-CD2 3.89Å; V181-Y229 HydrophobicContact CG2-CE2 4.03Å; V181-Y229 HydrophobicContact CG2-CG 4.23Å; V181-W231 HydrophobicContact CB-CZ2 3.76Å; V181-W231 HydrophobicContact CG1-CZ2 4.1Å; V181-W231 VanDerWaalsContact CG1-NE1 3.27Å; V181-L243 HydrophobicContact CB-CD1 4.32Å; V181-L243 HydrophobicContact CB-CD2 4.33Å; V181-L243 HydrophobicContact CG1-CD1 4.1Å; V181-L243 HydrophobicContact CG2-CD1 4.22Å; V181-L243 HydrophobicContact CG2-CD2 3.6Å
182	C	94.7	Very high	93.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165.4	169.6	67.9	0	0	0	0	111.2	I141 L164 I168 F189 W198	I141-C182 HydrophobicContact CD1-CB 3.51Å; L164-C182 VanDerWaalsContact CD1-SG 3.57Å; I168-C182 WeakPolarHBondContact O-CB 3.35Å; C182-F189 PolarHBondContact N-O 2.87Å; C182-F189 PolarHBondContact O-N 2.92Å; C182-W198 HydrophobicContact CB-CZ3 4.48Å; C182-W198 WeakPolarHBondContact SG-CZ3 3.35Å
183	S	91.3	Very high	93.1	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.5	166.5	-72.5	0	0	0	0	110.5	A167 I168 N187 Y229	A167-S183 CarbonylContact C-O 3.4Å; A167-S183 VanDerWaalsContact CA-O 3.29Å; A167-S183 WeakPolarHBondContact CA-O 3.36Å; I168-S183 PolarHBondContact N-O 3.43Å; I168-S183 PolarHBondContact O-N 3.48Å; I168-S183 VanDerWaalsContact O-N 3.08Å; S183-N187 CarbonylContact C-O 3.59Å; S183-N187 VanDerWaalsContact CA-O 3.26Å; S183-N187 WeakPolarHBondContact CA-O 3.49Å; S183-Y229 PolarHBondContact N-OH 3.14Å; S183-Y229 WeakPolarHBondContact OG-CE1 3.42Å
184	S	88.6	Confident	92.9	Very high	4 Å²	4	29 Å²	29	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	129.1	170.7	168.3	0	0	0	0	109.2	S165 S166 E186 N187	S165-S184 PolarHBondContact O-OG 3.15Å; S166-S184 WeakPolarHBondContact O-CA 2.97Å; S184-E186 PolarHBondContact O-N 2.78Å; S184-N187 PolarHBondContact N-O 2.58Å; S184-N187 WeakPolarHBondContact O-CB 3.37Å; S184-N187 PolarHBondContact O-N 3.06Å
185	N	83.8	Confident	92.8	Very high	84 Å²	84	28.4 Å²	28.4	45%	0.449	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	56.5	178	-59.6	-41	0	0	0	113.2	N187	N185-N187 PolarHBondContact O-N 2.8Å; N185-N187 VanDerWaalsContact O-N 3.09Å; N185-N187 PolarHBondContact O-ND2 2.88Å
186	E	86.1	Confident	92.8	Very high	94 Å²	94	26.9 Å²	26.9	44%	0.439	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	11.2	179.7	-56.7	175.7	177	0	0	115.4	S184 A212	S184-E186 PolarHBondContact O-N 2.78Å; E186-A212 PolarHBondContact O-N 2.9Å
187	N	92	Very high	92.7	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.4	-178.2	-71.4	-77	0	0	0	112.3	S183 S184 N185 F189 T202 N203 H204	S183-N187 CarbonylContact C-O 3.59Å; S183-N187 VanDerWaalsContact CA-O 3.26Å; S183-N187 WeakPolarHBondContact CA-O 3.49Å; S184-N187 PolarHBondContact N-O 2.58Å; S184-N187 WeakPolarHBondContact O-CB 3.37Å; S184-N187 PolarHBondContact O-N 3.06Å; N185-N187 PolarHBondContact O-N 2.8Å; N185-N187 VanDerWaalsContact O-N 3.09Å; N185-N187 PolarHBondContact O-ND2 2.88Å; N187-F189 HydrophobicContact CB-CE2 3.9Å; N187-T202 VanDerWaalsContact CA-OG1 3.31Å; N187-T202 WeakPolarHBondContact CA-OG1 3.37Å; N187-T202 WeakPolarHBondContact CB-OG1 3.5Å; N187-T202 PolarHBondContact OD1-O 3.47Å; N187-T202 PolarHBondContact OD1-OG1 2.93Å; N187-N203 WeakPolarHBondContact OD1-CA 3.4Å; N187-N203 PolarHBondContact OD1-N 3.05Å; N187-H204 PolarHBondContact OD1-N 3.44Å
188	I	95.5	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.1	175.6	-58.2	173.4	0	0	0	109.2	V181 V201 T202 A212 Y229 L243 Y245	V181-I188 HydrophobicContact CG2-CG2 3.43Å; V181-I188 VanDerWaalsContact CG2-CG2 3.43Å; I188-V201 HydrophobicContact CB-CB 3.88Å; I188-V201 HydrophobicContact CB-CG1 4.21Å; I188-V201 HydrophobicContact CB-CG2 4.47Å; I188-V201 HydrophobicContact CG2-CB 3.86Å; I188-V201 HydrophobicContact CG2-CG1 4.19Å; I188-V201 HydrophobicContact CG2-CG2 3.92Å; I188-V201 WeakPolarHBondContact O-CB 3.49Å; I188-V201 PolarHBondContact O-N 3.02Å; I188-T202 PolarHBondContact N-OG1 3.26Å; I188-A212 HydrophobicContact CD1-CB 4.03Å; I188-A212 HydrophobicContact CG1-CB 4.06Å; I188-A212 WeakPolarHBondContact CG1-O 3.42Å; I188-Y229 HydrophobicContact CD1-CD1 4.31Å; I188-Y229 HydrophobicContact CG1-CD1 4.41Å; I188-L243 HydrophobicContact CG2-CD2 3.96Å; I188-Y245 HydrophobicContact CD1-CD1 4.5Å; I188-Y245 HydrophobicContact CD1-CD2 3.62Å; I188-Y245 HydrophobicContact CD1-CG 3.58Å
189	F	96	Very high	92.6	Very high	37 Å²	37	30.9 Å²	30.9	16%	0.162	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	173.1	-70	-100.6	0	0	0	110.5	L164 V181 C182 N187 W198 I199 P200	L164-F189 HydrophobicContact CD1-CB 3.8Å; L164-F189 HydrophobicContact CD1-CD1 4.38Å; L164-F189 HydrophobicContact CD1-CD2 4.49Å; L164-F189 HydrophobicContact CD1-CG 3.99Å; L164-F189 HydrophobicContact CD2-CD1 3.65Å; L164-F189 HydrophobicContact CD2-CD2 4.46Å; L164-F189 HydrophobicContact CD2-CE1 3.84Å; L164-F189 HydrophobicContact CD2-CG 3.99Å; L164-F189 HydrophobicContact CD2-CZ 4.33Å; V181-F189 CarbonylContact C-O 3.53Å; V181-F189 VanDerWaalsContact CA-O 3.31Å; V181-F189 WeakPolarHBondContact CA-O 3.31Å; C182-F189 PolarHBondContact N-O 2.87Å; C182-F189 PolarHBondContact O-N 2.92Å; N187-F189 HydrophobicContact CB-CE2 3.9Å; F189-W198 HydrophobicContact CB-CE3 4.16Å; F189-I199 VanDerWaalsContact CA-O 3.3Å; F189-I199 WeakPolarHBondContact CA-O 3.37Å; F189-P200 HydrophobicContact CD1-CB 4.1Å; F189-P200 HydrophobicContact CE1-CB 3.72Å; F189-P200 HydrophobicContact CE1-CG 4.5Å; F189-P200 HydrophobicContact CZ-CB 4.21Å
190	I	96.4	Very high	92.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.3	169.8	-69.5	168.1	0	0	0	108.8	L179 I180 V181 W198 I199 V201 W231 L243 Y287 F289 I297	L179-I190 HydrophobicContact CD2-CG2 4.24Å; I180-I190 CarbonylContact O-C 3.59Å; I180-I190 VanDerWaalsContact O-CA 3.27Å; I180-I190 WeakPolarHBondContact O-CA 3.14Å; V181-I190 HydrophobicContact CB-CG1 4.35Å; V181-I190 HydrophobicContact CG2-CG1 4.34Å; I190-W198 CarbonylContact O-C 3.58Å; I190-W198 WeakPolarHBondContact O-CA 3.46Å; I190-I199 HydrophobicContact CB-CG1 4.36Å; I190-I199 PolarHBondContact N-O 2.81Å; I190-I199 PolarHBondContact O-N 3.31Å; I190-V201 HydrophobicContact CB-CG2 4.27Å; I190-V201 HydrophobicContact CD1-CG2 3.49Å; I190-V201 VanDerWaalsContact CD1-CG2 3.49Å; I190-V201 HydrophobicContact CG1-CG2 3.57Å; I190-W231 HydrophobicContact CD1-CH2 3.83Å; I190-W231 HydrophobicContact CD1-CZ3 4.48Å; I190-W231 HydrophobicContact CG1-CH2 4.06Å; I190-W231 HydrophobicContact CG1-CZ2 4.38Å; I190-W231 HydrophobicContact CG2-CH2 4.22Å; I190-L243 HydrophobicContact CD1-CD2 4.06Å; I190-L243 HydrophobicContact CG1-CD2 4.37Å; I190-Y287 HydrophobicContact CD1-CD1 3.8Å; I190-Y287 HydrophobicContact CD1-CE1 3.92Å; I190-F289 HydrophobicContact CD1-CD1 4.43Å; I190-F289 HydrophobicContact CD1-CE1 3.71Å; I190-F289 HydrophobicContact CD1-CZ 4.3Å; I190-F289 HydrophobicContact CG2-CZ 4.33Å; I190-I297 HydrophobicContact CG2-CD1 4.16Å
191	G	94.1	Very high	92.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.8	177.2	0	0	0	0	0	112.3	L179 I180 K197 W198	L179-G191 WeakPolarHBondContact CA-O 3.45Å; I180-G191 PolarHBondContact N-O 2.87Å; I180-G191 PolarHBondContact O-N 3.02Å; G191-K197 CarbonylContact C-O 3.58Å; G191-K197 WeakPolarHBondContact CA-O 3.39Å; G191-W198 VanDerWaalsContact N-CE3 3.33Å
192	Y	94.5	Very high	92.3	Very high	31 Å²	31	35.8 Å²	35.8	12%	0.122	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.3	165.4	-176.2	-110.9	0	0	0	109.4	D178 L179 P194 T195 N196 K197 L291 G295	D178-Y192 HydrophobicContact CB-CD2 3.79Å; D178-Y192 HydrophobicContact CB-CE2 3.39Å; D178-Y192 CarbonylContact O-C 3.6Å; D178-Y192 WeakPolarHBondContact O-CA 3.41Å; L179-Y192 HydrophobicContact CD2-CD2 3.95Å; L179-Y192 HydrophobicContact CG-CD2 4.42Å; Y192-P194 HydrophobicContact CD1-CB 4.32Å; Y192-P194 HydrophobicContact CD1-CG 4.36Å; Y192-P194 HydrophobicContact CE1-CB 3.67Å; Y192-P194 HydrophobicContact CE1-CG 3.72Å; Y192-P194 HydrophobicContact CE2-CG 4.13Å; Y192-T195 HydrophobicContact CD1-CG2 3.98Å; Y192-T195 WeakPolarHBondContact CD1-OG1 3.38Å; Y192-T195 HydrophobicContact CE1-CG2 4.03Å; Y192-T195 PolarHBondContact O-N 3.21Å; Y192-N196 WeakPolarHBondContact O-CA 3.09Å; Y192-N196 PolarHBondContact O-N 2.91Å; Y192-N196 VanDerWaalsContact O-N 3.07Å; Y192-K197 PolarHBondContact N-O 2.83Å; Y192-K197 PolarHBondContact O-N 2.83Å; Y192-L291 HydrophobicContact CD2-CD1 4.49Å; Y192-L291 HydrophobicContact CD2-CD2 4.07Å; Y192-L291 HydrophobicContact CE2-CD2 3.86Å; Y192-G295 VanDerWaalsContact CE1-CA 3.45Å
193	I	91.7	Very high	92	Very high	25 Å²	25	41.2 Å²	41.2	13%	0.128	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.3	-46	-168.5	-62.2	-55.5	0	0	0	113.5	I134 D178 I180 T195 N196 W198	I134-I193 HydrophobicContact CD1-CD1 3.59Å; I134-I193 HydrophobicContact CD1-CG1 3.95Å; D178-I193 PolarHBondContact O-N 2.92Å; I180-I193 HydrophobicContact CD1-CG1 4.33Å; I180-I193 HydrophobicContact CG1-CD1 3.63Å; I180-I193 HydrophobicContact CG1-CG1 3.62Å; I193-T195 PolarHBondContact O-N 2.94Å; I193-T195 VanDerWaalsContact O-N 3.1Å; I193-N196 PolarHBondContact O-N 2.83Å; I193-W198 HydrophobicContact CD1-CZ2 4.23Å
194	P	91.1	Very high	91.7	Very high	79 Å²	79	41.8 Å²	41.8	51%	0.513	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.2	-28.1	-176.5	-28.6	37	0	0	0	115.1	D178 Y192	D178-P194 HydrophobicContact CB-CG 4.08Å; D178-P194 WeakPolarHBondContact OD1-CD 3.3Å; D178-P194 WeakPolarHBondContact OD1-CG 3.41Å; Y192-P194 HydrophobicContact CD1-CB 4.32Å; Y192-P194 HydrophobicContact CD1-CG 4.36Å; Y192-P194 HydrophobicContact CE1-CB 3.67Å; Y192-P194 HydrophobicContact CE1-CG 3.72Å; Y192-P194 HydrophobicContact CE2-CG 4.13Å
195	T	90.6	Very high	91	Very high	75 Å²	75	45.7 Å²	45.7	46%	0.46	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-105.7	-0	175.7	65.9	0	0	0	0	113.2	Y192 I193 K197	Y192-T195 HydrophobicContact CD1-CG2 3.98Å; Y192-T195 WeakPolarHBondContact CD1-OG1 3.38Å; Y192-T195 HydrophobicContact CE1-CG2 4.03Å; Y192-T195 PolarHBondContact O-N 3.21Å; I193-T195 PolarHBondContact O-N 2.94Å; I193-T195 VanDerWaalsContact O-N 3.1Å; T195-K197 PolarHBondContact O-N 3.22Å; T195-K197 VanDerWaalsContact O-N 3.11Å; T195-K197 VanDerWaalsContact OG1-CB 3.28Å; T195-K197 WeakPolarHBondContact OG1-CB 3.25Å
196	N	91.9	Very high	90.7	Very high	42 Å²	42	49.9 Å²	49.9	23%	0.225	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	35.3	-169.8	-163.4	20.4	0	0	0	113	I160 K161 Y192 I193 W198	I160-N196 HydrophobicContact CG2-CB 4.32Å; I160-N196 WeakPolarHBondContact CG2-ND2 3.46Å; K161-N196 PolarHBondContact O-ND2 3.33Å; Y192-N196 WeakPolarHBondContact O-CA 3.09Å; Y192-N196 PolarHBondContact O-N 2.91Å; Y192-N196 VanDerWaalsContact O-N 3.07Å; I193-N196 PolarHBondContact O-N 2.83Å; N196-W198 PolarHBondContact OD1-NE1 2.75Å; N196-W198 VanDerWaalsContact OD1-NE1 3.09Å
197	K	92	Very high	90.5	Very high	111 Å²	111	48.2 Å²	48.2	48%	0.483	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.8	-178.5	-174.4	-179.7	178.6	-178.3	0	109.8	G191 Y192 T195	G191-K197 CarbonylContact C-O 3.58Å; G191-K197 WeakPolarHBondContact CA-O 3.39Å; Y192-K197 PolarHBondContact N-O 2.83Å; Y192-K197 PolarHBondContact O-N 2.83Å; T195-K197 PolarHBondContact O-N 3.22Å; T195-K197 VanDerWaalsContact O-N 3.11Å; T195-K197 VanDerWaalsContact OG1-CB 3.28Å; T195-K197 WeakPolarHBondContact OG1-CB 3.25Å
198	W	92.8	Very high	90.2	Very high	28 Å²	28	52.8 Å²	52.8	11%	0.106	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.6	179.4	-65.5	76.1	0	0	0	110.3	T162 P163 L164 I180 C182 F189 I190 G191 I193 N196	T162-W198 HydrophobicContact CG2-CH2 4.16Å; T162-W198 HydrophobicContact CG2-CZ2 3.24Å; P163-W198 VanDerWaalsContact CD-CD1 3.4Å; P163-W198 HydrophobicContact CG-CB 4.5Å; P163-W198 HydrophobicContact CG-CG 4.29Å; L164-W198 HydrophobicContact CD1-CB 4.45Å; L164-W198 HydrophobicContact CD1-CD2 3.74Å; L164-W198 HydrophobicContact CD1-CE3 3.37Å; L164-W198 HydrophobicContact CD1-CG 4.22Å; L164-W198 HydrophobicContact CD1-CZ3 3.89Å; L164-W198 HydrophobicContact CD2-CB 4.38Å; L164-W198 HydrophobicContact CG-CB 4.36Å; L164-W198 HydrophobicContact CG-CD2 4.23Å; L164-W198 HydrophobicContact CG-CE3 4.33Å; L164-W198 HydrophobicContact CG-CG 4.25Å; I180-W198 HydrophobicContact CB-CH2 3.99Å; I180-W198 HydrophobicContact CG2-CH2 3.98Å; C182-W198 HydrophobicContact CB-CZ3 4.48Å; C182-W198 WeakPolarHBondContact SG-CZ3 3.35Å; F189-W198 HydrophobicContact CB-CE3 4.16Å; I190-W198 CarbonylContact O-C 3.58Å; I190-W198 WeakPolarHBondContact O-CA 3.46Å; G191-W198 VanDerWaalsContact N-CE3 3.33Å; I193-W198 HydrophobicContact CD1-CZ2 4.23Å; N196-W198 PolarHBondContact OD1-NE1 2.75Å; N196-W198 VanDerWaalsContact OD1-NE1 3.09Å
199	I	92.9	Very high	89.9	Confident	31 Å²	31	53.2 Å²	53.2	16%	0.159	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.4	175.6	64.8	163.2	0	0	0	110.4	F189 I190 Y287 I297	F189-I199 VanDerWaalsContact CA-O 3.3Å; F189-I199 WeakPolarHBondContact CA-O 3.37Å; I190-I199 HydrophobicContact CB-CG1 4.36Å; I190-I199 PolarHBondContact N-O 2.81Å; I190-I199 PolarHBondContact O-N 3.31Å; I199-Y287 WeakPolarHBondContact CD1-OH 3.46Å; I199-I297 HydrophobicContact CD1-CB 4.08Å; I199-I297 HydrophobicContact CD1-CD1 3.36Å; I199-I297 HydrophobicContact CD1-CG1 4.29Å; I199-I297 HydrophobicContact CD1-CG2 3.75Å; I199-I297 HydrophobicContact CG1-CD1 3.8Å
200	P	94.3	Very high	89.7	Confident	77 Å²	77	52.4 Å²	52.4	50%	0.5	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.3	170.4	29.2	-32.6	0	0	0	110	F189	F189-P200 HydrophobicContact CD1-CB 4.1Å; F189-P200 HydrophobicContact CE1-CB 3.72Å; F189-P200 HydrophobicContact CE1-CG 4.5Å; F189-P200 HydrophobicContact CZ-CB 4.21Å
201	V	94.1	Very high	89.5	Confident	15 Å²	15	52.8 Å²	52.8	9%	0.091	29%	0.292	C	S	.	.	S	Bend	trans	-85.7	-38.9	168.5	170.5	0	0	0	0	109.9	I188 I190 Y245 Y287	I188-V201 HydrophobicContact CB-CB 3.88Å; I188-V201 HydrophobicContact CB-CG1 4.21Å; I188-V201 HydrophobicContact CB-CG2 4.47Å; I188-V201 HydrophobicContact CG2-CB 3.86Å; I188-V201 HydrophobicContact CG2-CG1 4.19Å; I188-V201 HydrophobicContact CG2-CG2 3.92Å; I188-V201 WeakPolarHBondContact O-CB 3.49Å; I188-V201 PolarHBondContact O-N 3.02Å; I190-V201 HydrophobicContact CB-CG2 4.27Å; I190-V201 HydrophobicContact CD1-CG2 3.49Å; I190-V201 VanDerWaalsContact CD1-CG2 3.49Å; I190-V201 HydrophobicContact CG1-CG2 3.57Å; V201-Y245 HydrophobicContact CG1-CE1 4.35Å; V201-Y287 HydrophobicContact CB-CD2 4.4Å; V201-Y287 HydrophobicContact CB-CE2 4.42Å; V201-Y287 HydrophobicContact CG1-CD1 4.24Å; V201-Y287 HydrophobicContact CG1-CD2 3.61Å; V201-Y287 HydrophobicContact CG1-CE2 4.1Å; V201-Y287 HydrophobicContact CG1-CG 3.65Å; V201-Y287 HydrophobicContact CG2-CD1 4.09Å; V201-Y287 HydrophobicContact CG2-CE1 4.06Å; V201-Y287 HydrophobicContact CG2-CG 4.34Å
202	T	93.2	Very high	89.5	Confident	12 Å²	12	52.8 Å²	52.8	7%	0.074	29%	0.292	C	S	.	.			trans	-126.7	162.1	179.4	63.2	0	0	0	0	111.5	N187 I188 A212 Y245	N187-T202 VanDerWaalsContact CA-OG1 3.31Å; N187-T202 WeakPolarHBondContact CA-OG1 3.37Å; N187-T202 WeakPolarHBondContact CB-OG1 3.5Å; N187-T202 PolarHBondContact OD1-O 3.47Å; N187-T202 PolarHBondContact OD1-OG1 2.93Å; I188-T202 PolarHBondContact N-OG1 3.26Å; T202-A212 HydrophobicContact CG2-CB 3.51Å; T202-Y245 HydrophobicContact CG2-CD2 4.37Å; T202-Y245 HydrophobicContact CG2-CE2 3.7Å
203	N	89.6	Confident	89.5	Confident	113 Å²	113	51.4 Å²	51.4	60%	0.604	29%	0.287	S	S	*	.			trans	-144.2	81.9	173.8	-172.5	9.1	0	0	0	111.7	N187 T205	N187-N203 WeakPolarHBondContact OD1-CA 3.4Å; N187-N203 PolarHBondContact OD1-N 3.05Å; N203-T205 PolarHBondContact OD1-OG1 3.02Å
204	H	85.7	Confident	89.5	Confident	16 Å²	16	51.3 Å²	51.3	7%	0.074	29%	0.287	C	S	.	.			trans	-98.2	7.2	176	-59	-67.9	0	0	0	113.3	N187 H206 N207 L210 E247	N187-H204 PolarHBondContact OD1-N 3.44Å; H204-H206 PolarHBondContact O-N 2.79Å; H204-N207 PolarHBondContact O-N 3.47Å; H204-L210 HydrophobicContact CB-CB 4.18Å; H204-L210 WeakPolarHBondContact CB-O 3.43Å; H204-E247 IonicContact CE1-OE2 2.72Å; H204-E247 PolarHBondContact CE1-OE2 3.03Å; H204-E247 VanDerWaalsContact CE1-OE2 3.27Å; H204-E247 IonicContact NE2-OE2 3.79Å; H204-E247 PolarHBondContact NE2-OE2 3.18Å
205	T	73.9	Confident	89.6	Confident	87 Å²	87	47.7 Å²	47.7	53%	0.534	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.6	-172.7	-32.9	0	0	0	0	114.5	N203	N203-T205 PolarHBondContact OD1-OG1 3.02Å
206	H	75.8	Confident	89.8	Confident	171 Å²	171	44.5 Å²	44.5	79%	0.792	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	0.6	179	-60.6	-58	0	0	0	114.5	H204	H204-H206 PolarHBondContact O-N 2.79Å
207	N	82.4	Confident	89.8	Confident	60 Å²	60	42.9 Å²	42.9	32%	0.321	24%	0.235	S	C	.	.	S	Bend	trans	-111.9	78.8	-174.7	-68.1	-28.4	0	0	0	110.2	H204 G209 L210	H204-N207 PolarHBondContact O-N 3.47Å; N207-G209 PolarHBondContact O-N 3.4Å; N207-L210 HydrophobicContact CB-CB 4.21Å; N207-L210 HydrophobicContact CB-CD1 3.89Å; N207-L210 HydrophobicContact CB-CG 4.21Å; N207-L210 PolarHBondContact O-N 2.89Å
208	S	85.5	Confident	90	Very high	98 Å²	98	37.8 Å²	37.8	69%	0.685	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127	-179	-177.2	0	0	0	0	112.1
209	G	88.7	Confident	90.1	Very high	10 Å²	10	36.5 Å²	36.5	10%	0.103	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-1.4	-177.3	0	0	0	0	0	114.6	N207 E250	N207-G209 PolarHBondContact O-N 3.4Å; G209-E250 PolarHBondContact O-N 3.04Å
210	L	92.6	Very high	90.2	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.099	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.7	166.3	-62.6	-174.4	0	0	0	110	H204 N207 V248 D249	H204-L210 HydrophobicContact CB-CB 4.18Å; H204-L210 WeakPolarHBondContact CB-O 3.43Å; N207-L210 HydrophobicContact CB-CB 4.21Å; N207-L210 HydrophobicContact CB-CD1 3.89Å; N207-L210 HydrophobicContact CB-CG 4.21Å; N207-L210 PolarHBondContact O-N 2.89Å; L210-V248 WeakPolarHBondContact CA-O 3.41Å; L210-D249 HydrophobicContact CD2-CB 3.52Å; L210-D249 VanDerWaalsContact CD2-CG 3.45Å
211	S	92.4	Very high	90.1	Very high	9 Å²	9	33 Å²	33	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.7	171.6	66	0	0	0	0	110.8	E247 V248	S211-E247 CarbonylContact O-C 3.56Å; S211-E247 WeakPolarHBondContact O-CA 3.38Å; S211-V248 PolarHBondContact N-O 3.37Å; S211-V248 PolarHBondContact O-N 3.21Å
212	A	94.5	Very high	90.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137	175.1	0	0	0	0	0	111.7	E186 I188 T202 I214 Y245 E246	E186-A212 PolarHBondContact O-N 2.9Å; I188-A212 HydrophobicContact CD1-CB 4.03Å; I188-A212 HydrophobicContact CG1-CB 4.06Å; I188-A212 WeakPolarHBondContact CG1-O 3.42Å; T202-A212 HydrophobicContact CG2-CB 3.51Å; A212-I214 PolarHBondContact O-N 3.37Å; A212-Y245 HydrophobicContact CB-CD2 4.22Å; A212-Y245 HydrophobicContact CB-CE2 4.3Å; A212-E246 CarbonylContact C-O 3.57Å; A212-E246 WeakPolarHBondContact CA-O 3.39Å
213	G	93.1	Very high	90.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	18%	0.183	C	C	.	.	S	Bend	trans	77.5	0.3	178.9	0	0	0	0	0	114.7	G228 E246	G213-G228 WeakPolarHBondContact O-CA 2.96Å; G213-G228 PolarHBondContact O-N 3.49Å; G213-E246 PolarHBondContact N-O 3.16Å
214	I	91.8	Very high	90.5	Very high	24 Å²	24	32.3 Å²	32.3	12%	0.123	18%	0.178	C	C	.	.			trans	-116.3	113.8	-179.6	-55.7	-178.8	0	0	0	107.5	I111 A212 V248	I111-I214 HydrophobicContact CD1-CG2 4.47Å; A212-I214 PolarHBondContact O-N 3.37Å; I214-V248 VanDerWaalsContact O-CG2 3.27Å; I214-V248 WeakPolarHBondContact O-CG2 3.47Å
215	P	94.4	Very high	90.9	Very high	2 Å²	2	32 Å²	32	1%	0.013	18%	0.177	C	C	.	.			trans	-63.3	155.8	177.8	-21.7	35.3	0	0	0	111.5	V219 Q220 R225	P215-V219 HydrophobicContact CB-CB 4.07Å; P215-V219 HydrophobicContact CB-CG1 3.78Å; P215-Q220 HydrophobicContact CB-CG 4.2Å; P215-Q220 PolarHBondContact O-NE2 3.31Å; P215-R225 HydrophobicContact CG-CG 4.28Å; P215-R225 VanDerWaalsContact CG-NH1 3.32Å; P215-R225 WeakPolarHBondContact CG-O 3.34Å
216	P	93.9	Very high	91.7	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.052	16%	0.162	C	C	.	.			trans	-65.7	160.5	177.5	27.9	-34.4	0	0	0	112.2	V218 V219 Q220 V248 A280	P216-V218 VanDerWaalsContact C-N 3.34Å; P216-V218 PolarHBondContact O-N 2.95Å; P216-V219 HydrophobicContact CG-CB 3.98Å; P216-V219 HydrophobicContact CG-CG2 3.66Å; P216-V219 PolarHBondContact O-N 3.43Å; P216-Q220 PolarHBondContact O-N 2.91Å; P216-Q220 VanDerWaalsContact O-N 3.14Å; P216-V248 HydrophobicContact CB-CG1 4.01Å; P216-V248 HydrophobicContact CG-CG1 4.41Å; P216-A280 HydrophobicContact CB-CB 3.57Å; P216-A280 HydrophobicContact CG-CB 4.13Å
217	F	92.8	Very high	92.6	Very high	9 Å²	9	24 Å²	24	4%	0.039	13%	0.134	C	C	.	.	H	α-helix	trans	-43.9	-54.5	-177.4	171.3	-102.9	0	0	0	113.5	R114 V219 Q220 E221 Y272 D880	R114-F217 VanDerWaalsContact NH2-CD2 3.28Å; F217-V219 PolarHBondContact O-N 2.85Å; F217-Q220 WeakPolarHBondContact O-CB 3.21Å; F217-Q220 PolarHBondContact O-N 2.84Å; F217-Q220 VanDerWaalsContact O-N 3.09Å; F217-E221 HydrophobicContact CE1-CB 4.47Å; F217-E221 HydrophobicContact CE2-CB 4.36Å; F217-E221 HydrophobicContact CZ-CB 4.16Å; F217-E221 HydrophobicContact CZ-CG 4.26Å; F217-E221 PolarHBondContact O-N 2.97Å; F217-Y272 AromaticContact CD1-CD2 3.97Å; F217-Y272 HydrophobicContact CD1-CD2 3.97Å; F217-Y272 HydrophobicContact CD1-CE2 4.13Å; F217-Y272 AromaticContact CE1-CD2 3.59Å; F217-Y272 HydrophobicContact CE1-CD2 3.59Å; F217-Y272 AromaticContact CE1-CE2 3.31Å; F217-Y272 HydrophobicContact CE1-CE2 3.31Å; F217-Y272 HydrophobicContact CZ-CD2 4.02Å; F217-Y272 AromaticContact CZ-CE2 3.64Å; F217-Y272 HydrophobicContact CZ-CE2 3.64Å; F217-D880 HydrophobicContact CE1-CB 4.4Å
218	V	95.2	Very high	93.3	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-27.2	-177.6	-67.2	0	0	0	0	113.6	P216 E222 P273 Y318 D880 A882	P216-V218 VanDerWaalsContact C-N 3.34Å; P216-V218 PolarHBondContact O-N 2.95Å; V218-E222 WeakPolarHBondContact O-CA 3.38Å; V218-E222 VanDerWaalsContact O-CB 3.23Å; V218-E222 WeakPolarHBondContact O-CB 3.19Å; V218-E222 PolarHBondContact O-N 2.93Å; V218-P273 HydrophobicContact CG1-CG 3.48Å; V218-P273 VanDerWaalsContact CG1-CG 3.48Å; V218-Y318 HydrophobicContact CG2-CD1 4.35Å; V218-Y318 HydrophobicContact CG2-CE1 4.03Å; V218-D880 HydrophobicContact CG1-CB 3.95Å; V218-A882 HydrophobicContact CB-CB 3.99Å; V218-A882 HydrophobicContact CG1-CB 4.44Å
219	V	96	Very high	93.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-77.8	-34.2	175.8	173.5	0	0	0	0	111.6	P215 P216 F217 F223 D224 R225	P215-V219 HydrophobicContact CB-CB 4.07Å; P215-V219 HydrophobicContact CB-CG1 3.78Å; P216-V219 HydrophobicContact CG-CB 3.98Å; P216-V219 HydrophobicContact CG-CG2 3.66Å; P216-V219 PolarHBondContact O-N 3.43Å; F217-V219 PolarHBondContact O-N 2.85Å; V219-F223 HydrophobicContact CG2-CD2 4.37Å; V219-F223 CarbonylContact O-C 3.46Å; V219-F223 PolarHBondContact O-N 2.97Å; V219-D224 PolarHBondContact O-N 3.29Å; V219-R225 HydrophobicContact CG1-CB 3.85Å; V219-R225 HydrophobicContact CG1-CG 4.48Å; V219-R225 PolarHBondContact O-N 3.16Å
220	Q	94.1	Very high	94.3	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-45.6	173.6	-60.5	-179.7	25	0	0	111.4	R114 P215 P216 F217 Y226	R114-Q220 HydrophobicContact CB-CB 4.49Å; R114-Q220 VanDerWaalsContact NH1-OE1 3.11Å; P215-Q220 HydrophobicContact CB-CG 4.2Å; P215-Q220 PolarHBondContact O-NE2 3.31Å; P216-Q220 PolarHBondContact O-N 2.91Å; P216-Q220 VanDerWaalsContact O-N 3.14Å; F217-Q220 WeakPolarHBondContact O-CB 3.21Å; F217-Q220 PolarHBondContact O-N 2.84Å; F217-Q220 VanDerWaalsContact O-N 3.09Å; Q220-Y226 HydrophobicContact CB-CD1 4.35Å; Q220-Y226 VanDerWaalsContact O-CE1 3.29Å; Q220-Y226 WeakPolarHBondContact O-CE1 3.45Å
221	E	93.5	Very high	94.5	Very high	27 Å²	27	18 Å²	18	13%	0.126	9%	0.087	C	C	.	.	H	α-helix	trans	-80	-43.1	-175	-168.1	68.8	-164.5	0	0	112.7	R114 R116 F217 N927	R114-E221 WeakPolarHBondContact CG-OE2 3.34Å; R116-E221 IonicContact CZ-OE1 3.4Å; R116-E221 IonicContact NH2-OE1 2.74Å; R116-E221 PolarHBondContact NH2-OE1 3.48Å; R116-E221 IonicContact NH2-OE2 3.71Å; F217-E221 HydrophobicContact CE1-CB 4.47Å; F217-E221 HydrophobicContact CE2-CB 4.36Å; F217-E221 HydrophobicContact CZ-CB 4.16Å; F217-E221 HydrophobicContact CZ-CG 4.26Å; F217-E221 PolarHBondContact O-N 2.97Å; E221-N927 PolarHBondContact OE1-ND2 3.46Å
222	E	95.2	Very high	94.8	Very high	23 Å²	23	18.4 Å²	18.4	11%	0.107	9%	0.087	C	C	.	.	H	α-helix	trans	-106.9	-4.6	-166	-50.2	-54.2	156.4	0	0	115.2	V218 A882 Y883 R886	V218-E222 WeakPolarHBondContact O-CA 3.38Å; V218-E222 VanDerWaalsContact O-CB 3.23Å; V218-E222 WeakPolarHBondContact O-CB 3.19Å; V218-E222 PolarHBondContact O-N 2.93Å; E222-A882 HydrophobicContact CB-CB 3.83Å; E222-A882 HydrophobicContact CG-CB 3.92Å; E222-Y883 WeakPolarHBondContact OE2-CD2 3.43Å; E222-R886 PolarHBondContact O-NH2 3.01Å
223	F	95.4	Very high	94.8	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.031	10%	0.1	C	C	.	.	S	Bend	trans	-134.1	3.8	-179.3	-63.5	-78.2	0	0	0	113.7	V219 R225 Y318 V320 R321 I336 Q340 V404 A882 R886	V219-F223 HydrophobicContact CG2-CD2 4.37Å; V219-F223 CarbonylContact O-C 3.46Å; V219-F223 PolarHBondContact O-N 2.97Å; F223-R225 VanDerWaalsContact C-N 3.28Å; F223-R225 PolarHBondContact O-N 2.93Å; F223-Y318 HydrophobicContact CE2-CD1 4.29Å; F223-Y318 HydrophobicContact CE2-CD2 4.25Å; F223-Y318 HydrophobicContact CE2-CG 4.04Å; F223-Y318 HydrophobicContact CZ-CD2 4.08Å; F223-Y318 HydrophobicContact CZ-CG 4.26Å; F223-V320 HydrophobicContact CB-CG1 4.33Å; F223-V320 HydrophobicContact CD1-CB 4.27Å; F223-V320 HydrophobicContact CD1-CG1 3.46Å; F223-V320 VanDerWaalsContact CD1-CG1 3.46Å; F223-V320 HydrophobicContact CD2-CG1 4.17Å; F223-V320 HydrophobicContact CE1-CG1 3.62Å; F223-V320 HydrophobicContact CE2-CG1 4.29Å; F223-V320 HydrophobicContact CG-CG1 3.74Å; F223-V320 HydrophobicContact CZ-CG1 4.02Å; F223-R321 PolarHBondContact O-NH1 3.31Å; F223-R321 PolarHBondContact O-NH2 2.82Å; F223-R321 VanDerWaalsContact O-NH2 3.11Å; F223-I336 HydrophobicContact CE1-CG2 4.29Å; F223-I336 HydrophobicContact CZ-CG2 4.25Å; F223-Q340 HydrophobicContact CZ-CG 4.22Å; F223-Q340 VanDerWaalsContact CZ-OE1 3.25Å; F223-V404 HydrophobicContact CD1-CB 4.34Å; F223-V404 HydrophobicContact CD1-CG2 3.95Å; F223-V404 HydrophobicContact CE1-CG2 3.99Å; F223-A882 HydrophobicContact CE2-CB 3.74Å; F223-A882 HydrophobicContact CZ-CB 4.33Å; F223-R886 VanDerWaalsContact CE1-NH2 3.32Å
224	D	92.6	Very high	94.9	Very high	96 Å²	96	22.8 Å²	22.8	51%	0.513	12%	0.115	S	C	.	.			trans	54.4	35.8	175.7	-59	-45	0	0	0	114.9	V219 Y226	V219-D224 PolarHBondContact O-N 3.29Å; D224-Y226 HydrophobicContact CB-CE2 4.49Å; D224-Y226 PolarHBondContact OD1-OH 3.2Å; D224-Y226 VanDerWaalsContact OD1-OH 3.1Å
225	R	94.5	Very high	95	Very high	11 Å²	11	24.5 Å²	24.5	4%	0.042	12%	0.123	C	C	.	.			trans	-111.9	116.3	173.3	-178.4	173.9	68.5	88.9	-3.9	111	P215 V219 F223 V227 E246 L319 V320	P215-R225 HydrophobicContact CG-CG 4.28Å; P215-R225 VanDerWaalsContact CG-NH1 3.32Å; P215-R225 WeakPolarHBondContact CG-O 3.34Å; V219-R225 HydrophobicContact CG1-CB 3.85Å; V219-R225 HydrophobicContact CG1-CG 4.48Å; V219-R225 PolarHBondContact O-N 3.16Å; F223-R225 VanDerWaalsContact C-N 3.28Å; F223-R225 PolarHBondContact O-N 2.93Å; R225-V227 WeakPolarHBondContact CG-O 3.31Å; R225-V227 PolarHBondContact NH1-O 3.35Å; R225-E246 IonicContact CZ-OE2 2.7Å; R225-E246 VanDerWaalsContact CZ-OE2 3.23Å; R225-E246 IonicContact NH1-OE2 3.31Å; R225-E246 PolarHBondContact NH1-OE2 2.8Å; R225-E246 IonicContact NH2-OE1 3.62Å; R225-E246 PolarHBondContact NH2-OE1 3.14Å; R225-E246 IonicContact NH2-OE2 3.17Å; R225-E246 PolarHBondContact NH2-OE2 3.26Å; R225-L319 PolarHBondContact NE-O 3.01Å; R225-L319 PolarHBondContact NH2-O 3.08Å; R225-V320 WeakPolarHBondContact CD-O 3.15Å; R225-V320 PolarHBondContact NE-O 3.15Å
226	Y	92.2	Very high	95	Very high	56 Å²	56	25.3 Å²	25.3	22%	0.22	13%	0.128	C	C	.	.			trans	-109.7	-5.2	-173.5	-44.1	-70	0	0	0	114.5	R114 M115 Q220 D224	R114-Y226 HydrophobicContact CB-CE1 4.45Å; M115-Y226 HydrophobicContact CB-CE1 4.5Å; M115-Y226 HydrophobicContact CG-CD1 3.54Å; M115-Y226 HydrophobicContact CG-CD2 3.74Å; M115-Y226 HydrophobicContact CG-CE1 3.82Å; M115-Y226 HydrophobicContact CG-CE2 3.98Å; M115-Y226 HydrophobicContact CG-CG 3.5Å; M115-Y226 HydrophobicContact SD-CD2 4.31Å; M115-Y226 HydrophobicContact SD-CG 4.14Å; Q220-Y226 HydrophobicContact CB-CD1 4.35Å; Q220-Y226 VanDerWaalsContact O-CE1 3.29Å; Q220-Y226 WeakPolarHBondContact O-CE1 3.45Å; D224-Y226 HydrophobicContact CB-CE2 4.49Å; D224-Y226 PolarHBondContact OD1-OH 3.2Å; D224-Y226 VanDerWaalsContact OD1-OH 3.1Å
227	V	93.7	Very high	94.9	Very high	33 Å²	33	32.3 Å²	32.3	20%	0.2	17%	0.165	C	C	.	.			trans	-124.9	142.7	177.5	-63.5	0	0	0	0	111.2	Q169 I171 R225	Q169-V227 HydrophobicContact CB-CG1 3.87Å; Q169-V227 HydrophobicContact CG-CG1 4.02Å; I171-V227 HydrophobicContact CD1-CG1 4.49Å; R225-V227 WeakPolarHBondContact CG-O 3.31Å; R225-V227 PolarHBondContact NH1-O 3.35Å
228	G	96.5	Very high	94.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.			trans	-118.8	29.8	178.1	0	0	0	0	0	113	G213 W230 Y245 E246	G213-G228 WeakPolarHBondContact O-CA 2.96Å; G213-G228 PolarHBondContact O-N 3.49Å; G228-W230 VanDerWaalsContact C-CZ3 3.46Å; G228-Y245 CarbonylContact O-C 3.57Å; G228-Y245 WeakPolarHBondContact O-CA 3.41Å; G228-E246 PolarHBondContact O-N 3.44Å
229	Y	97.5	Very high	94.7	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.3	175.1	50.1	-94.5	0	0	0	112.9	Q169 I171 V181 S183 I188 L244	Q169-Y229 WeakPolarHBondContact CB-OH 3.44Å; Q169-Y229 PolarHBondContact O-OH 3.49Å; I171-Y229 HydrophobicContact CB-CE2 4.25Å; I171-Y229 HydrophobicContact CD1-CD2 3.98Å; I171-Y229 HydrophobicContact CD1-CE2 3.57Å; I171-Y229 HydrophobicContact CG1-CE2 3.84Å; V181-Y229 HydrophobicContact CB-CD2 4.34Å; V181-Y229 HydrophobicContact CB-CE2 4.34Å; V181-Y229 HydrophobicContact CG1-CD2 3.45Å; V181-Y229 VanDerWaalsContact CG1-CD2 3.45Å; V181-Y229 HydrophobicContact CG1-CE2 3.44Å; V181-Y229 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y229 HydrophobicContact CG2-CD2 3.89Å; V181-Y229 HydrophobicContact CG2-CE2 4.03Å; V181-Y229 HydrophobicContact CG2-CG 4.23Å; S183-Y229 PolarHBondContact N-OH 3.14Å; S183-Y229 WeakPolarHBondContact OG-CE1 3.42Å; I188-Y229 HydrophobicContact CD1-CD1 4.31Å; I188-Y229 HydrophobicContact CG1-CD1 4.41Å; Y229-L244 CarbonylContact C-O 3.54Å; Y229-L244 WeakPolarHBondContact CA-O 3.49Å; Y229-L244 WeakPolarHBondContact CB-O 3.35Å
230	W	98	Very high	94.7	Very high	43 Å²	43	45.1 Å²	45.1	16%	0.163	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	118.5	-173	-53	-91.7	0	0	0	110	G228 L244 A322 W324	G228-W230 VanDerWaalsContact C-CZ3 3.46Å; W230-L244 HydrophobicContact CB-CB 4.33Å; W230-L244 HydrophobicContact CD2-CD2 4.37Å; W230-L244 HydrophobicContact CE3-CB 4.22Å; W230-L244 HydrophobicContact CE3-CD2 3.67Å; W230-L244 HydrophobicContact CE3-CG 3.92Å; W230-L244 HydrophobicContact CZ3-CD2 4.31Å; W230-L244 HydrophobicContact CZ3-CG 4.48Å; W230-L244 PolarHBondContact N-O 3.46Å; W230-L244 WeakPolarHBondContact O-CB 3.31Å; W230-L244 PolarHBondContact O-N 2.77Å; W230-A322 HydrophobicContact CD2-CB 4.35Å; W230-A322 HydrophobicContact CE3-CB 4.24Å; W230-A322 HydrophobicContact CH2-CB 3.75Å; W230-A322 HydrophobicContact CZ2-CB 3.87Å; W230-A322 HydrophobicContact CZ3-CB 3.95Å; W230-A322 PolarHBondContact NE1-O 2.85Å; W230-W324 PolarHBondContact O-NE1 2.98Å
231	W	98	Very high	94.9	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	139.3	172.1	-75.3	112.9	0	0	0	110.6	I171 C173 P174 L179 V181 I190 L243 F289	I171-W231 PolarHBondContact O-NE1 2.86Å; I171-W231 VanDerWaalsContact O-NE1 3.17Å; C173-W231 HydrophobicContact CB-CD2 3.92Å; C173-W231 HydrophobicContact CB-CE3 4.35Å; C173-W231 HydrophobicContact CB-CG 4.23Å; C173-W231 HydrophobicContact CB-CZ2 4.24Å; P174-W231 VanDerWaalsContact CD-CB 3.49Å; P174-W231 HydrophobicContact CG-CB 4.24Å; L179-W231 HydrophobicContact CB-CZ2 4.49Å; V181-W231 HydrophobicContact CB-CZ2 3.76Å; V181-W231 HydrophobicContact CG1-CZ2 4.1Å; V181-W231 VanDerWaalsContact CG1-NE1 3.27Å; I190-W231 HydrophobicContact CD1-CH2 3.83Å; I190-W231 HydrophobicContact CD1-CZ3 4.48Å; I190-W231 HydrophobicContact CG1-CH2 4.06Å; I190-W231 HydrophobicContact CG1-CZ2 4.38Å; I190-W231 HydrophobicContact CG2-CH2 4.22Å; W231-L243 HydrophobicContact CD2-CD1 3.77Å; W231-L243 HydrophobicContact CE3-CB 4.08Å; W231-L243 HydrophobicContact CE3-CD1 3.97Å; W231-L243 HydrophobicContact CG-CD1 4.11Å; W231-L243 HydrophobicContact CZ2-CD1 4.49Å; W231-L243 HydrophobicContact CZ3-CB 4.03Å; W231-L243 HydrophobicContact CZ3-CD1 4.4Å; W231-F289 HydrophobicContact CH2-CE1 4.26Å; W231-F289 HydrophobicContact CH2-CZ 4.19Å; W231-F289 HydrophobicContact CZ3-CE1 4.09Å; W231-F289 HydrophobicContact CZ3-CZ 4.23Å
232	R	97.7	Very high	95.1	Very high	17 Å²	17	45 Å²	45	6%	0.064	23%	0.225	C	C	.	.			trans	-58.3	138	163.9	-170.9	173.9	-176.5	-97	0.4	108.4	F175 T234 M235 T236 Q242 W324 D327 G328	F175-R232 VanDerWaalsContact CE1-O 3.26Å; F175-R232 WeakPolarHBondContact CE1-O 3.28Å; R232-T234 VanDerWaalsContact C-N 3.29Å; R232-T234 WeakPolarHBondContact CG-O 3.42Å; R232-T234 VanDerWaalsContact NH1-C 3.31Å; R232-T234 PolarHBondContact NH1-O 3.36Å; R232-T234 PolarHBondContact NH1-OG1 3.08Å; R232-T234 VanDerWaalsContact NH1-OG1 3.13Å; R232-T234 PolarHBondContact O-N 2.67Å; R232-M235 PolarHBondContact NH1-O 2.97Å; R232-T236 VanDerWaalsContact NH1-CA 3.33Å; R232-Q242 HydrophobicContact CB-CB 3.94Å; R232-Q242 WeakPolarHBondContact CB-O 3.21Å; R232-Q242 VanDerWaalsContact CD-OE1 3.24Å; R232-Q242 PolarHBondContact N-O 2.98Å; R232-W324 HydrophobicContact CB-CD2 4.14Å; R232-W324 HydrophobicContact CB-CE3 4.41Å; R232-W324 HydrophobicContact CB-CH2 4.31Å; R232-W324 HydrophobicContact CB-CZ2 4.06Å; R232-W324 HydrophobicContact CB-CZ3 4.46Å; R232-W324 HydrophobicContact CG-CD2 4.11Å; R232-W324 HydrophobicContact CG-CE3 3.95Å; R232-W324 HydrophobicContact CG-CH2 4.32Å; R232-W324 HydrophobicContact CG-CZ2 4.5Å; R232-W324 HydrophobicContact CG-CZ3 4.03Å; R232-D327 PolarHBondContact NH2-O 3.21Å; R232-G328 PolarHBondContact NE-O 2.78Å; R232-G328 PolarHBondContact NH2-O 2.99Å; R232-G328 VanDerWaalsContact NH2-O 3.13Å
233	P	95.4	Very high	95.2	Very high	42 Å²	42	44 Å²	44	27%	0.273	22%	0.22	S	C	.	.	S	Bend	trans	-75.4	-17.2	-174.9	25.9	-34.1	0	0	0	113.6	F175 W324 T325 P326	F175-P233 VanDerWaalsContact CD1-O 3.27Å; F175-P233 WeakPolarHBondContact CD1-O 3.42Å; P233-W324 HydrophobicContact CG-CB 4.02Å; P233-T325 VanDerWaalsContact CG-O 3.3Å; P233-T325 WeakPolarHBondContact CG-O 3.44Å; P233-P326 WeakPolarHBondContact CG-O 3.21Å
234	T	94.1	Very high	95.4	Very high	51 Å²	51	43.6 Å²	43.6	31%	0.313	22%	0.219	S	C	.	.	S	Bend	trans	-133.9	159.7	-178.2	59.5	0	0	0	0	111.2	F175 R232 D327	F175-T234 WeakPolarHBondContact CE1-O 3.48Å; R232-T234 VanDerWaalsContact C-N 3.29Å; R232-T234 WeakPolarHBondContact CG-O 3.42Å; R232-T234 VanDerWaalsContact NH1-C 3.31Å; R232-T234 PolarHBondContact NH1-O 3.36Å; R232-T234 PolarHBondContact NH1-OG1 3.08Å; R232-T234 VanDerWaalsContact NH1-OG1 3.13Å; R232-T234 PolarHBondContact O-N 2.67Å; T234-D327 PolarHBondContact OG1-O 3.04Å
235	M	93.4	Very high	95.6	Very high	59 Å²	59	39.3 Å²	39.3	29%	0.291	20%	0.195	S	C	.	.			trans	-70.8	143.8	169.9	-175.5	69.2	84.4	0	0	110.3	F175 R232 Y241	F175-M235 HydrophobicContact CE2-CB 4.05Å; F175-M235 HydrophobicContact CE2-CE 3.9Å; F175-M235 HydrophobicContact CE2-SD 4.25Å; F175-M235 HydrophobicContact CZ-CB 4.3Å; R232-M235 PolarHBondContact NH1-O 2.97Å; M235-Y241 HydrophobicContact CE-CD1 4.44Å; M235-Y241 HydrophobicContact CE-CD2 4.1Å; M235-Y241 HydrophobicContact CE-CE1 3.9Å; M235-Y241 HydrophobicContact CE-CE2 3.5Å; M235-Y241 VanDerWaalsContact CE-CE2 3.5Å; M235-Y241 HydrophobicContact SD-CD2 4.26Å; M235-Y241 HydrophobicContact SD-CE2 4.25Å; M235-Y241 HydrophobicContact SD-CG 4.47Å
236	T	94.8	Very high	95.8	Very high	19 Å²	19	38.8 Å²	38.8	12%	0.117	19%	0.193	C	C	.	.			trans	-70.7	159.5	173.8	73.1	0	0	0	0	110.8	R232 D238 H239 Y240 Q242	R232-T236 VanDerWaalsContact NH1-CA 3.33Å; T236-D238 PolarHBondContact O-N 3.32Å; T236-D238 VanDerWaalsContact O-N 3.16Å; T236-H239 PolarHBondContact O-N 3.31Å; T236-H239 PolarHBondContact OG1-N 3.04Å; T236-Y240 WeakPolarHBondContact CG2-O 3.28Å; T236-Y240 PolarHBondContact N-O 3.41Å; T236-Y240 WeakPolarHBondContact OG1-CA 3.31Å; T236-Y240 WeakPolarHBondContact OG1-CB 3.22Å; T236-Y240 PolarHBondContact OG1-N 2.93Å; T236-Y240 PolarHBondContact OG1-O 3.37Å; T236-Q242 HydrophobicContact CG2-CG 4.08Å
237	N	91.4	Very high	95.9	Very high	156 Å²	156	37.3 Å²	37.3	83%	0.834	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-32	176.7	-67.3	-16.1	0	0	0	112.2	H239	N237-H239 VanDerWaalsContact C-N 3.28Å; N237-H239 PolarHBondContact O-N 2.73Å
238	D	92.3	Very high	96	Very high	111 Å²	111	35.7 Å²	35.7	59%	0.594	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	14.2	177.9	-61.4	-39.2	0	0	0	113.8	T236 Y240 K290	T236-D238 PolarHBondContact O-N 3.32Å; T236-D238 VanDerWaalsContact O-N 3.16Å; D238-Y240 HydrophobicContact CB-CD2 3.87Å; D238-Y240 HydrophobicContact CB-CE2 4.02Å; D238-Y240 PolarHBondContact O-N 3.09Å; D238-K290 WeakPolarHBondContact O-CE 3.37Å; D238-K290 PolarHBondContact O-NZ 3.45Å
239	H	93.4	Very high	95.9	Very high	131 Å²	131	36.8 Å²	36.8	61%	0.606	19%	0.185	S	C	*	.			trans	62.6	35.6	178.6	-51.4	-68	0	0	0	115	T236 N237	T236-H239 PolarHBondContact O-N 3.31Å; T236-H239 PolarHBondContact OG1-N 3.04Å; N237-H239 VanDerWaalsContact C-N 3.28Å; N237-H239 PolarHBondContact O-N 2.73Å
240	Y	96.1	Very high	95.8	Very high	39 Å²	39	38.5 Å²	38.5	15%	0.153	19%	0.192	C	C	.	.			trans	-90.7	138.9	168.8	-72.1	-89.8	0	0	0	111.5	T236 D238 Q288 F289 K290 N299	T236-Y240 WeakPolarHBondContact CG2-O 3.28Å; T236-Y240 PolarHBondContact N-O 3.41Å; T236-Y240 WeakPolarHBondContact OG1-CA 3.31Å; T236-Y240 WeakPolarHBondContact OG1-CB 3.22Å; T236-Y240 PolarHBondContact OG1-N 2.93Å; T236-Y240 PolarHBondContact OG1-O 3.37Å; D238-Y240 HydrophobicContact CB-CD2 3.87Å; D238-Y240 HydrophobicContact CB-CE2 4.02Å; D238-Y240 PolarHBondContact O-N 3.09Å; Y240-Q288 HydrophobicContact CD1-CB 4.38Å; Y240-Q288 HydrophobicContact CD1-CG 4.34Å; Y240-F289 WeakPolarHBondContact CA-O 3.43Å; Y240-K290 HydrophobicContact CD1-CG 3.7Å; Y240-K290 HydrophobicContact CE1-CD 4.29Å; Y240-K290 HydrophobicContact CE1-CG 3.65Å; Y240-K290 HydrophobicContact CG-CG 4.18Å; Y240-N299 HydrophobicContact CE1-CB 3.89Å
241	Y	97.1	Very high	95.6	Very high	22 Å²	22	42.6 Å²	42.6	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142	157.7	-66.5	-92.9	0	0	0	108.6	F175 N176 L179 M235 Q288 F289 L291	F175-Y241 HydrophobicContact CD2-CE1 4.1Å; F175-Y241 AromaticContact CE2-CD1 3.58Å; F175-Y241 HydrophobicContact CE2-CD1 3.58Å; F175-Y241 AromaticContact CE2-CE1 3.26Å; F175-Y241 HydrophobicContact CE2-CE1 3.26Å; F175-Y241 AromaticContact CZ-CD1 3.7Å; F175-Y241 HydrophobicContact CZ-CD1 3.7Å; F175-Y241 AromaticContact CZ-CE1 3.9Å; F175-Y241 HydrophobicContact CZ-CE1 3.9Å; N176-Y241 HydrophobicContact CB-CE1 3.88Å; N176-Y241 PolarHBondContact ND2-OH 3.48Å; L179-Y241 HydrophobicContact CD1-CD1 3.48Å; L179-Y241 VanDerWaalsContact CD1-CD1 3.48Å; L179-Y241 HydrophobicContact CD1-CD2 4.29Å; L179-Y241 HydrophobicContact CD1-CE1 3.34Å; L179-Y241 HydrophobicContact CD1-CE2 4.19Å; L179-Y241 HydrophobicContact CD1-CG 3.97Å; M235-Y241 HydrophobicContact CE-CD1 4.44Å; M235-Y241 HydrophobicContact CE-CD2 4.1Å; M235-Y241 HydrophobicContact CE-CE1 3.9Å; M235-Y241 HydrophobicContact CE-CE2 3.5Å; M235-Y241 VanDerWaalsContact CE-CE2 3.5Å; M235-Y241 HydrophobicContact SD-CD2 4.26Å; M235-Y241 HydrophobicContact SD-CE2 4.25Å; M235-Y241 HydrophobicContact SD-CG 4.47Å; Y241-Q288 VanDerWaalsContact O-CA 3.26Å; Y241-Q288 WeakPolarHBondContact O-CA 3.37Å; Y241-F289 VanDerWaalsContact CB-CZ 3.49Å; Y241-F289 HydrophobicContact CD2-CD2 4.37Å; Y241-F289 AromaticContact CD2-CE2 3.93Å; Y241-F289 HydrophobicContact CD2-CE2 3.93Å; Y241-F289 HydrophobicContact CD2-CZ 4.36Å; Y241-F289 AromaticContact CG-CE2 3.99Å; Y241-F289 HydrophobicContact CG-CE2 3.99Å; Y241-F289 AromaticContact CG-CZ 3.94Å; Y241-F289 HydrophobicContact CG-CZ 3.94Å; Y241-F289 PolarHBondContact N-O 3.27Å; Y241-F289 PolarHBondContact O-N 3.44Å; Y241-L291 HydrophobicContact CD2-CB 4.09Å; Y241-L291 HydrophobicContact CE2-CB 3.55Å; Y241-L291 HydrophobicContact CE2-CD2 4.43Å
242	Q	97.7	Very high	95.4	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.1	177.2	-72.7	-174.2	-25.8	0	0	110.3	R232 T236 I286 Y287 Q288 W324	R232-Q242 HydrophobicContact CB-CB 3.94Å; R232-Q242 WeakPolarHBondContact CB-O 3.21Å; R232-Q242 VanDerWaalsContact CD-OE1 3.24Å; R232-Q242 PolarHBondContact N-O 2.98Å; T236-Q242 HydrophobicContact CG2-CG 4.08Å; Q242-I286 HydrophobicContact CB-CG2 3.91Å; Q242-I286 HydrophobicContact CG-CG2 3.96Å; Q242-Y287 WeakPolarHBondContact CA-O 3.22Å; Q242-Q288 HydrophobicContact CG-CB 3.81Å; Q242-Q288 VanDerWaalsContact NE2-OE1 3.1Å; Q242-W324 HydrophobicContact CB-CH2 4.33Å; Q242-W324 HydrophobicContact CB-CZ2 4.44Å
243	L	98.1	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.2	174.1	178.5	75.2	0	0	0	108.2	V181 I188 I190 W231 I286 Y287	V181-L243 HydrophobicContact CB-CD1 4.32Å; V181-L243 HydrophobicContact CB-CD2 4.33Å; V181-L243 HydrophobicContact CG1-CD1 4.1Å; V181-L243 HydrophobicContact CG2-CD1 4.22Å; V181-L243 HydrophobicContact CG2-CD2 3.6Å; I188-L243 HydrophobicContact CG2-CD2 3.96Å; I190-L243 HydrophobicContact CD1-CD2 4.06Å; I190-L243 HydrophobicContact CG1-CD2 4.37Å; W231-L243 HydrophobicContact CD2-CD1 3.77Å; W231-L243 HydrophobicContact CE3-CB 4.08Å; W231-L243 HydrophobicContact CE3-CD1 3.97Å; W231-L243 HydrophobicContact CG-CD1 4.11Å; W231-L243 HydrophobicContact CZ2-CD1 4.49Å; W231-L243 HydrophobicContact CZ3-CB 4.03Å; W231-L243 HydrophobicContact CZ3-CD1 4.4Å; L243-I286 CarbonylContact O-C 3.57Å; L243-I286 WeakPolarHBondContact O-CA 3.46Å; L243-Y287 PolarHBondContact N-O 2.89Å; L243-Y287 PolarHBondContact O-N 3.22Å
244	L	98.4	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.4	167.2	-172.4	69.1	0	0	0	108.7	Y229 W230 V284 K285 I286 W324 V331 F353	Y229-L244 CarbonylContact C-O 3.54Å; Y229-L244 WeakPolarHBondContact CA-O 3.49Å; Y229-L244 WeakPolarHBondContact CB-O 3.35Å; W230-L244 HydrophobicContact CB-CB 4.33Å; W230-L244 HydrophobicContact CD2-CD2 4.37Å; W230-L244 HydrophobicContact CE3-CB 4.22Å; W230-L244 HydrophobicContact CE3-CD2 3.67Å; W230-L244 HydrophobicContact CE3-CG 3.92Å; W230-L244 HydrophobicContact CZ3-CD2 4.31Å; W230-L244 HydrophobicContact CZ3-CG 4.48Å; W230-L244 PolarHBondContact N-O 3.46Å; W230-L244 WeakPolarHBondContact O-CB 3.31Å; W230-L244 PolarHBondContact O-N 2.77Å; L244-V284 HydrophobicContact CD1-CG1 3.2Å; L244-V284 HydrophobicContact CD2-CG1 4.22Å; L244-V284 HydrophobicContact CG-CG1 3.76Å; L244-K285 CarbonylContact C-O 3.6Å; L244-K285 WeakPolarHBondContact CA-O 3.2Å; L244-I286 HydrophobicContact CD1-CG1 3.82Å; L244-W324 HydrophobicContact CB-CZ2 3.75Å; L244-W324 HydrophobicContact CD1-CZ2 4.48Å; L244-V331 HydrophobicContact CD1-CB 4.45Å; L244-V331 HydrophobicContact CD1-CG1 3.98Å; L244-V331 HydrophobicContact CD1-CG2 3.62Å; L244-V331 HydrophobicContact CD2-CB 4.4Å; L244-V331 HydrophobicContact CD2-CG1 3.5Å; L244-V331 VanDerWaalsContact CD2-CG1 3.5Å; L244-V331 HydrophobicContact CD2-CG2 4.08Å; L244-V331 HydrophobicContact CG-CG1 4.39Å; L244-V331 HydrophobicContact CG-CG2 4.44Å; L244-F353 HydrophobicContact CD1-CE1 4.46Å; L244-F353 HydrophobicContact CD1-CZ 4.39Å
245	Y	98.1	Very high	95.2	Very high	6 Å²	6	48.5 Å²	48.5	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.2	171.4	72.3	-84.4	0	0	0	113.3	I188 V201 T202 A212 G228 E247 V284 K285 T302	I188-Y245 HydrophobicContact CD1-CD1 4.5Å; I188-Y245 HydrophobicContact CD1-CD2 3.62Å; I188-Y245 HydrophobicContact CD1-CG 3.58Å; V201-Y245 HydrophobicContact CG1-CE1 4.35Å; T202-Y245 HydrophobicContact CG2-CD2 4.37Å; T202-Y245 HydrophobicContact CG2-CE2 3.7Å; A212-Y245 HydrophobicContact CB-CD2 4.22Å; A212-Y245 HydrophobicContact CB-CE2 4.3Å; G228-Y245 CarbonylContact O-C 3.57Å; G228-Y245 WeakPolarHBondContact O-CA 3.41Å; Y245-E247 HydrophobicContact CE2-CB 4.3Å; Y245-V284 CarbonylContact O-C 3.58Å; Y245-V284 WeakPolarHBondContact O-CA 3.42Å; Y245-K285 HydrophobicContact CD1-CB 4.13Å; Y245-K285 WeakPolarHBondContact CD1-O 3.46Å; Y245-K285 HydrophobicContact CE1-CB 3.54Å; Y245-K285 HydrophobicContact CE2-CB 3.99Å; Y245-K285 HydrophobicContact CE2-CD 4.17Å; Y245-K285 VanDerWaalsContact CZ-CB 3.47Å; Y245-K285 PolarHBondContact N-O 2.99Å; Y245-K285 PolarHBondContact O-N 3.2Å; Y245-K285 WeakPolarHBondContact OH-CD 3.35Å; Y245-T302 HydrophobicContact CE1-CG2 4.4Å; Y245-T302 WeakPolarHBondContact OH-CG2 3.34Å
246	E	97.4	Very high	95	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.9	173.6	-178.1	-176.6	-157.6	0	0	109.3	A212 G213 R225 G228 V248 S282 N283 L319	A212-E246 CarbonylContact C-O 3.57Å; A212-E246 WeakPolarHBondContact CA-O 3.39Å; G213-E246 PolarHBondContact N-O 3.16Å; R225-E246 IonicContact CZ-OE2 2.7Å; R225-E246 VanDerWaalsContact CZ-OE2 3.23Å; R225-E246 IonicContact NH1-OE2 3.31Å; R225-E246 PolarHBondContact NH1-OE2 2.8Å; R225-E246 IonicContact NH2-OE1 3.62Å; R225-E246 PolarHBondContact NH2-OE1 3.14Å; R225-E246 IonicContact NH2-OE2 3.17Å; R225-E246 PolarHBondContact NH2-OE2 3.26Å; G228-E246 PolarHBondContact O-N 3.44Å; E246-V248 HydrophobicContact CG-CG2 3.75Å; E246-S282 WeakPolarHBondContact OE1-CB 3.42Å; E246-S282 PolarHBondContact OE1-OG 2.82Å; E246-N283 CarbonylContact C-O 3.6Å; E246-N283 WeakPolarHBondContact CA-O 3.28Å; E246-L319 HydrophobicContact CG-CD2 4.36Å
247	E	95.9	Very high	94.7	Very high	24 Å²	24	53.1 Å²	53.1	11%	0.112	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.5	164.1	-178.1	-177.8	93.3	0	0	107.9	H204 S211 Y245 N283 K285	H204-E247 IonicContact CE1-OE2 2.72Å; H204-E247 PolarHBondContact CE1-OE2 3.03Å; H204-E247 VanDerWaalsContact CE1-OE2 3.27Å; H204-E247 IonicContact NE2-OE2 3.79Å; H204-E247 PolarHBondContact NE2-OE2 3.18Å; S211-E247 CarbonylContact O-C 3.56Å; S211-E247 WeakPolarHBondContact O-CA 3.38Å; Y245-E247 HydrophobicContact CE2-CB 4.3Å; E247-N283 HydrophobicContact CB-CB 4.29Å; E247-N283 PolarHBondContact N-O 3.41Å; E247-N283 WeakPolarHBondContact O-CB 3.03Å; E247-N283 PolarHBondContact O-N 3.17Å; E247-K285 WeakPolarHBondContact OE1-CE 3.32Å; E247-K285 IonicContact OE1-NZ 2.74Å; E247-K285 PolarHBondContact OE1-NZ 3.34Å; E247-K285 IonicContact OE2-NZ 2.7Å; E247-K285 PolarHBondContact OE2-NZ 3.28Å
248	V	95.4	Very high	94.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.8	-175.4	-179.6	0	0	0	0	109.5	L210 S211 I214 P216 E246 E250 A280 S281	L210-V248 WeakPolarHBondContact CA-O 3.41Å; S211-V248 PolarHBondContact N-O 3.37Å; S211-V248 PolarHBondContact O-N 3.21Å; I214-V248 VanDerWaalsContact O-CG2 3.27Å; I214-V248 WeakPolarHBondContact O-CG2 3.47Å; P216-V248 HydrophobicContact CB-CG1 4.01Å; P216-V248 HydrophobicContact CG-CG1 4.41Å; E246-V248 HydrophobicContact CG-CG2 3.75Å; V248-E250 HydrophobicContact CG1-CG 3.76Å; V248-A280 HydrophobicContact CG1-CB 3.82Å; V248-S281 WeakPolarHBondContact CA-O 3.46Å
249	D	94.3	Very high	93.7	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	109.8	173.4	-177	0.7	0	0	0	111	L210 R251 A280 S281	L210-D249 HydrophobicContact CD2-CB 3.52Å; L210-D249 VanDerWaalsContact CD2-CG 3.45Å; D249-R251 VanDerWaalsContact OD1-CB 3.25Å; D249-R251 WeakPolarHBondContact OD1-CB 3.46Å; D249-R251 VanDerWaalsContact OD1-CG 3.22Å; D249-R251 WeakPolarHBondContact OD1-CG 3.32Å; D249-R251 IonicContact OD1-CZ 3.77Å; D249-R251 PolarHBondContact OD1-N 2.97Å; D249-R251 IonicContact OD1-NE 2.86Å; D249-R251 PolarHBondContact OD1-NE 3.35Å; D249-R251 IonicContact OD1-NH2 3.84Å; D249-R251 IonicContact OD2-CZ 3.32Å; D249-R251 IonicContact OD2-NE 3.19Å; D249-R251 PolarHBondContact OD2-NE 2.9Å; D249-R251 IonicContact OD2-NH2 2.66Å; D249-R251 PolarHBondContact OD2-NH2 3.28Å; D249-A280 WeakPolarHBondContact O-CA 3.47Å; D249-S281 PolarHBondContact N-O 2.94Å; D249-S281 PolarHBondContact O-N 3.24Å
250	E	94.3	Very high	92.5	Very high	36 Å²	36	40.8 Å²	40.8	17%	0.168	20%	0.201	C	C	.	.			trans	-105.7	11.4	-179.8	-52.7	-169.4	109.7	0	0	112.4	G209 V248 N252 V253 R271 A280	G209-E250 PolarHBondContact O-N 3.04Å; V248-E250 HydrophobicContact CG1-CG 3.76Å; E250-N252 PolarHBondContact O-N 3.45Å; E250-N252 VanDerWaalsContact O-N 3.16Å; E250-V253 HydrophobicContact CB-CB 4.3Å; E250-V253 HydrophobicContact CB-CG2 4.14Å; E250-V253 WeakPolarHBondContact O-CB 3.5Å; E250-V253 PolarHBondContact O-N 3.1Å; E250-R271 HydrophobicContact CB-CB 4.16Å; E250-R271 HydrophobicContact CB-CG 3.84Å; E250-R271 WeakPolarHBondContact O-CD 3.48Å; E250-R271 PolarHBondContact O-NH1 2.99Å; E250-A280 HydrophobicContact CG-CB 3.79Å
251	R	93.8	Very high	90.8	Very high	129 Å²	129	39.9 Å²	39.9	49%	0.487	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.9	-175.4	-69.6	176	-67.7	178.8	-1	112.9	D249 R271	D249-R251 VanDerWaalsContact OD1-CB 3.25Å; D249-R251 WeakPolarHBondContact OD1-CB 3.46Å; D249-R251 VanDerWaalsContact OD1-CG 3.22Å; D249-R251 WeakPolarHBondContact OD1-CG 3.32Å; D249-R251 IonicContact OD1-CZ 3.77Å; D249-R251 PolarHBondContact OD1-N 2.97Å; D249-R251 IonicContact OD1-NE 2.86Å; D249-R251 PolarHBondContact OD1-NE 3.35Å; D249-R251 IonicContact OD1-NH2 3.84Å; D249-R251 IonicContact OD2-CZ 3.32Å; D249-R251 IonicContact OD2-NE 3.19Å; D249-R251 PolarHBondContact OD2-NE 2.9Å; D249-R251 IonicContact OD2-NH2 2.66Å; D249-R251 PolarHBondContact OD2-NH2 3.28Å; R251-R271 PolarHBondContact O-NH1 3.22Å
252	N	93.7	Very high	89.1	Confident	127 Å²	127	43.2 Å²	43.2	68%	0.679	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-9.3	176	-65.2	-25.6	0	0	0	114	E250 E278	E250-N252 PolarHBondContact O-N 3.45Å; E250-N252 VanDerWaalsContact O-N 3.16Å; N252-E278 HydrophobicContact CB-CB 4.49Å
253	V	96.3	Very high	87	Confident	3 Å²	3	48 Å²	48	2%	0.018	24%	0.241	C	C	.	.	S	Bend	trans	-80.7	133.5	177.4	-177.9	0	0	0	0	109	E250 R271 P273 A280	E250-V253 HydrophobicContact CB-CB 4.3Å; E250-V253 HydrophobicContact CB-CG2 4.14Å; E250-V253 WeakPolarHBondContact O-CB 3.5Å; E250-V253 PolarHBondContact O-N 3.1Å; V253-R271 HydrophobicContact CB-CB 4.18Å; V253-R271 HydrophobicContact CG1-CB 3.88Å; V253-R271 WeakPolarHBondContact O-CD 3.19Å; V253-R271 PolarHBondContact O-NH1 2.87Å; V253-P273 HydrophobicContact CG1-CB 4.01Å; V253-P273 HydrophobicContact CG1-CG 4.35Å; V253-A280 HydrophobicContact CG2-CB 4.18Å; V253-A280 VanDerWaalsContact CG2-N 3.32Å
254	A	93.9	Very high	84.8	Confident	55 Å²	55	52 Å²	52	46%	0.455	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-58.8	144.4	178.3	0	0	0	0	0	111.8	R271 Y272	A254-R271 WeakPolarHBondContact O-CA 3.41Å; A254-Y272 PolarHBondContact O-N 2.76Å
255	V	92.9	Very high	83	Confident	67 Å²	67	54.2 Å²	54.2	41%	0.406	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.8	176.6	-177.2	0	0	0	0	109.6	N269 Q270 R271	V255-N269 HydrophobicContact CG1-CB 3.72Å; V255-Q270 CarbonylContact C-O 3.47Å; V255-Q270 WeakPolarHBondContact CA-O 3.44Å; V255-R271 VanDerWaalsContact CG2-NH1 3.31Å
256	T	90.1	Very high	81.8	Confident	40 Å²	40	55.5 Å²	55.5	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142	168.7	-60	0	0	0	0	109.4	L258 Q270	T256-L258 HydrophobicContact CG2-CD2 4.15Å; T256-Q270 PolarHBondContact N-O 2.8Å; T256-Q270 PolarHBondContact O-N 3.43Å
257	K	88.3	Confident	81	Confident	135 Å²	135	64 Å²	64	59%	0.587	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	118	176.5	-66	-175.3	179.2	178.1	0	109.8	W267 E268	K257-W267 HydrophobicContact CB-CD2 4.38Å; K257-W267 HydrophobicContact CB-CE3 3.74Å; K257-W267 HydrophobicContact CB-CZ3 4.31Å; K257-E268 CarbonylContact C-O 3.55Å; K257-E268 WeakPolarHBondContact CA-O 3.34Å
258	L	85	Confident	80.3	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.073	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	147.9	174.9	-56.9	-179.8	0	0	0	110.7	T256 W267 E268 Q270 E926 H929	T256-L258 HydrophobicContact CG2-CD2 4.15Å; L258-W267 WeakPolarHBondContact O-CA 3.39Å; L258-E268 HydrophobicContact CB-CB 4.28Å; L258-E268 PolarHBondContact N-O 2.9Å; L258-E268 PolarHBondContact O-N 3.38Å; L258-Q270 VanDerWaalsContact CD1-OE1 3.23Å; L258-E926 HydrophobicContact CD1-CB 3.38Å; L258-H929 VanDerWaalsContact CD2-CD2 3.49Å; L258-H929 WeakPolarHBondContact CD2-CD2 3.49Å
259	F	77.5	Confident	79.9	Confident	100 Å²	100	68.6 Å²	68.6	44%	0.439	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.9	171.6	179.9	-103	0	0	0	109.7	Q924	F259-Q924 WeakPolarHBondContact O-CG 3.24Å
260	H	69.3	Low	79.6	Confident	25 Å²	25	68 Å²	68	12%	0.116	37%	0.374	C	S	.	.			trans	-116.4	101.1	180	-167.2	81.9	0	0	0	110.5	F263 G265 G266 E268	H260-F263 AromaticContact CE1-CD2 3.6Å; H260-F263 WeakPolarHBondContact NE2-CB 3.29Å; H260-F263 AromaticContact NE2-CD2 2.93Å; H260-F263 WeakPolarHBondContact NE2-CD2 3.41Å; H260-F263 AromaticContact NE2-CE2 3.79Å; H260-F263 AromaticContact NE2-CG 3.44Å; H260-F263 WeakPolarHBondContact NE2-CG 3.45Å; H260-G265 CarbonylContact O-C 3.57Å; H260-G265 VanDerWaalsContact O-CA 3.31Å; H260-G265 WeakPolarHBondContact O-CA 3.22Å; H260-G266 PolarHBondContact N-O 3.47Å; H260-G266 PolarHBondContact O-N 3.1Å; H260-E268 HydrophobicContact CB-CB 4.26Å; H260-E268 IonicContact CE1-OE2 3.95Å; H260-E268 IonicContact ND1-OE2 2.83Å; H260-E268 PolarHBondContact ND1-OE2 2.95Å
261	G	59.4	Low	79.5	Confident	21 Å²	21	69 Å²	69	22%	0.216	38%	0.376	C	S	.	.			trans	-95.6	-22.8	-171.3	0	0	0	0	0	115.6	F263	G261-F263 PolarHBondContact O-N 3.42Å
262	E	60.5	Low	79.5	Confident	92 Å²	92	62.9 Å²	62.9	43%	0.43	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.3	-171.7	-70.7	-165.3	147.6	0	0	115.1	N954 K960	E262-N954 HydrophobicContact CG-CB 4.02Å; E262-K960 IonicContact OE1-NZ 3.48Å; E262-K960 PolarHBondContact OE1-NZ 3.16Å; E262-K960 IonicContact OE2-NZ 3.31Å; E262-K960 PolarHBondContact OE2-NZ 2.98Å
263	F	54.1	Low	79.7	Confident	110 Å²	110	57 Å²	57	48%	0.482	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	39.3	-176.7	-65.5	-104.6	0	0	0	113.8	H260 G261	H260-F263 AromaticContact CE1-CD2 3.6Å; H260-F263 WeakPolarHBondContact NE2-CB 3.29Å; H260-F263 AromaticContact NE2-CD2 2.93Å; H260-F263 WeakPolarHBondContact NE2-CD2 3.41Å; H260-F263 AromaticContact NE2-CE2 3.79Å; H260-F263 AromaticContact NE2-CG 3.44Å; H260-F263 WeakPolarHBondContact NE2-CG 3.45Å; G261-F263 PolarHBondContact O-N 3.42Å
264	G	53.2	Low	79.7	Confident	84 Å²	84	59.6 Å²	59.6	87%	0.866	34%	0.336	S	S	*	.	S	Bend	trans	90	16.2	171.9	0	0	0	0	0	115.5
265	G	60.4	Low	79.8	Confident	47 Å²	47	57.4 Å²	57.4	49%	0.485	32%	0.318	S	S	.	.	S	Bend	trans	84.3	145.3	-177.7	0	0	0	0	0	112.4	H260	H260-G265 CarbonylContact O-C 3.57Å; H260-G265 VanDerWaalsContact O-CA 3.31Å; H260-G265 WeakPolarHBondContact O-CA 3.22Å
266	G	73.1	Confident	80	Confident	34 Å²	34	56.2 Å²	56.2	35%	0.351	32%	0.319	S	S	.	.			trans	157.5	-173	-179.9	0	0	0	0	0	112.8	H260	H260-G266 PolarHBondContact N-O 3.47Å; H260-G266 PolarHBondContact O-N 3.1Å
267	W	79.4	Confident	80.3	Confident	179 Å²	179	56.5 Å²	56.5	68%	0.678	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.1	174.3	-63.1	100	0	0	0	109.7	K257 L258	K257-W267 HydrophobicContact CB-CD2 4.38Å; K257-W267 HydrophobicContact CB-CE3 3.74Å; K257-W267 HydrophobicContact CB-CZ3 4.31Å; L258-W267 WeakPolarHBondContact O-CA 3.39Å
268	E	81.5	Confident	80.6	Confident	10 Å²	10	55 Å²	55	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124	168.4	170.2	173.8	157.7	0	0	108.5	L106 K257 L258 H260 R956	L106-E268 WeakPolarHBondContact CD1-OE2 3.32Å; L106-E268 HydrophobicContact CD2-CG 3.86Å; K257-E268 CarbonylContact C-O 3.55Å; K257-E268 WeakPolarHBondContact CA-O 3.34Å; L258-E268 HydrophobicContact CB-CB 4.28Å; L258-E268 PolarHBondContact N-O 2.9Å; L258-E268 PolarHBondContact O-N 3.38Å; H260-E268 HydrophobicContact CB-CB 4.26Å; H260-E268 IonicContact CE1-OE2 3.95Å; H260-E268 IonicContact ND1-OE2 2.83Å; H260-E268 PolarHBondContact ND1-OE2 2.95Å; E268-R956 VanDerWaalsContact CD-NH2 3.33Å; E268-R956 IonicContact OE1-CZ 3.01Å; E268-R956 IonicContact OE1-NH1 3.73Å; E268-R956 IonicContact OE1-NH2 3.17Å; E268-R956 PolarHBondContact OE1-NH2 2.8Å; E268-R956 VanDerWaalsContact OE1-NH2 3.12Å; E268-R956 IonicContact OE2-CZ 3.84Å; E268-R956 IonicContact OE2-NH2 4Å; E268-R956 PolarHBondContact OE2-NH2 3.29Å
269	N	86.2	Confident	81.2	Confident	110 Å²	110	54.8 Å²	54.8	59%	0.588	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.4	175.8	-68.8	-33.6	0	0	0	108.7	V255	V255-N269 HydrophobicContact CG1-CB 3.72Å
270	Q	88	Confident	82	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133	175.4	-176.8	-177.8	6.6	0	0	109.9	V255 T256 L258 Y272 E926 H929	V255-Q270 CarbonylContact C-O 3.47Å; V255-Q270 WeakPolarHBondContact CA-O 3.44Å; T256-Q270 PolarHBondContact N-O 2.8Å; T256-Q270 PolarHBondContact O-N 3.43Å; L258-Q270 VanDerWaalsContact CD1-OE1 3.23Å; Q270-Y272 PolarHBondContact O-N 3.49Å; Q270-E926 PolarHBondContact NE2-O 2.89Å; Q270-E926 PolarHBondContact OE1-O 3.04Å; Q270-H929 PolarHBondContact OE1-NE2 3.41Å
271	R	92.2	Very high	83.2	Confident	56 Å²	56	51 Å²	51	21%	0.211	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	112.1	166.9	-64.3	-71.5	179.4	169.6	2.7	107.7	E250 R251 V253 A254 V255	E250-R271 HydrophobicContact CB-CB 4.16Å; E250-R271 HydrophobicContact CB-CG 3.84Å; E250-R271 WeakPolarHBondContact O-CD 3.48Å; E250-R271 PolarHBondContact O-NH1 2.99Å; R251-R271 PolarHBondContact O-NH1 3.22Å; V253-R271 HydrophobicContact CB-CB 4.18Å; V253-R271 HydrophobicContact CG1-CB 3.88Å; V253-R271 WeakPolarHBondContact O-CD 3.19Å; V253-R271 PolarHBondContact O-NH1 2.87Å; A254-R271 WeakPolarHBondContact O-CA 3.41Å; V255-R271 VanDerWaalsContact CG2-NH1 3.31Å
272	Y	95.2	Very high	84.8	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	30%	0.298	C	S	.	.			trans	-133.1	107.1	-175.5	-167.2	-82.3	0	0	0	110.3	F217 A254 Q270 I274 D880 N927 H929	F217-Y272 AromaticContact CD1-CD2 3.97Å; F217-Y272 HydrophobicContact CD1-CD2 3.97Å; F217-Y272 HydrophobicContact CD1-CE2 4.13Å; F217-Y272 AromaticContact CE1-CD2 3.59Å; F217-Y272 HydrophobicContact CE1-CD2 3.59Å; F217-Y272 AromaticContact CE1-CE2 3.31Å; F217-Y272 HydrophobicContact CE1-CE2 3.31Å; F217-Y272 HydrophobicContact CZ-CD2 4.02Å; F217-Y272 AromaticContact CZ-CE2 3.64Å; F217-Y272 HydrophobicContact CZ-CE2 3.64Å; A254-Y272 PolarHBondContact O-N 2.76Å; Q270-Y272 PolarHBondContact O-N 3.49Å; Y272-I274 HydrophobicContact CD1-CG2 3.7Å; Y272-I274 HydrophobicContact CE1-CG2 3.88Å; Y272-I274 PolarHBondContact O-N 3.27Å; Y272-D880 HydrophobicContact CE1-CB 4.04Å; Y272-D880 PolarHBondContact OH-N 2.62Å; Y272-N927 PolarHBondContact OH-O 2.86Å; Y272-H929 AromaticContact CD1-CE1 3.67Å; Y272-H929 AromaticContact CD2-CE1 3.45Å; Y272-H929 VanDerWaalsContact CD2-CE1 3.45Å; Y272-H929 WeakPolarHBondContact CD2-CE1 3.33Å; Y272-H929 AromaticContact CD2-NE2 3.73Å; Y272-H929 AromaticContact CE1-CE1 3.88Å; Y272-H929 AromaticContact CE2-CE1 3.67Å; Y272-H929 AromaticContact CE2-NE2 3.98Å; Y272-H929 AromaticContact CG-CE1 3.45Å; Y272-H929 VanDerWaalsContact CG-CE1 3.45Å; Y272-H929 AromaticContact CZ-CE1 3.88Å
273	P	96.5	Very high	86.4	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.032	28%	0.283	C	S	.	.			trans	-82.6	99.9	179.2	32.9	-32.1	0	0	0	109.4	V218 V253 E278 D880 T881	V218-P273 HydrophobicContact CG1-CG 3.48Å; V218-P273 VanDerWaalsContact CG1-CG 3.48Å; V253-P273 HydrophobicContact CG1-CB 4.01Å; V253-P273 HydrophobicContact CG1-CG 4.35Å; P273-E278 WeakPolarHBondContact CB-O 3.15Å; P273-D880 CarbonylContact O-C 3.57Å; P273-D880 WeakPolarHBondContact O-CA 3.34Å; P273-T881 HydrophobicContact CB-CG2 3.95Å; P273-T881 WeakPolarHBondContact O-CG2 3.39Å; P273-T881 PolarHBondContact O-N 2.76Å
274	I	96.4	Very high	88.4	Confident	57 Å²	57	42.1 Å²	42.1	29%	0.292	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-68.4	155	172	65.8	177.1	0	0	0	110.7	Y272 G276 T277 Y879 T881	Y272-I274 HydrophobicContact CD1-CG2 3.7Å; Y272-I274 HydrophobicContact CE1-CG2 3.88Å; Y272-I274 PolarHBondContact O-N 3.27Å; I274-G276 PolarHBondContact O-N 3.22Å; I274-T277 HydrophobicContact CD1-CG2 4.12Å; I274-T277 HydrophobicContact CG1-CG2 3.5Å; I274-T277 VanDerWaalsContact CG1-CG2 3.5Å; I274-T277 PolarHBondContact N-OG1 3.44Å; I274-T277 WeakPolarHBondContact O-CB 3.44Å; I274-T277 PolarHBondContact O-N 3.48Å; I274-T277 PolarHBondContact O-OG1 2.9Å; I274-Y879 CarbonylContact C-O 3.52Å; I274-Y879 WeakPolarHBondContact CA-O 3.45Å; I274-T881 VanDerWaalsContact O-CG2 3.29Å; I274-T881 WeakPolarHBondContact O-CG2 3.44Å
275	A	96.6	Very high	90.5	Very high	9 Å²	9	38.7 Å²	38.7	7%	0.074	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	129.8	179.7	0	0	0	0	0	113.1	Y879 T884 E885 P891 Y898	A275-Y879 PolarHBondContact N-O 2.84Å; A275-T884 HydrophobicContact CB-CG2 4.04Å; A275-E885 HydrophobicContact CB-CG 4.45Å; A275-P891 HydrophobicContact CB-CG 4.02Å; A275-Y898 HydrophobicContact CB-CE1 4.31Å
276	G	96.3	Very high	92.3	Very high	42 Å²	42	36.5 Å²	36.5	43%	0.433	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-4.8	-178.1	0	0	0	0	0	116	I274 E885	I274-G276 PolarHBondContact O-N 3.22Å; G276-E885 PolarHBondContact N-OE1 2.7Å
277	T	97	Very high	93.4	Very high	46 Å²	46	35.4 Å²	35.4	28%	0.282	18%	0.184	S	C	.	.	S	Bend	trans	-96.5	-179	176.6	66.7	0	0	0	0	112.8	I274 R338	I274-T277 HydrophobicContact CD1-CG2 4.12Å; I274-T277 HydrophobicContact CG1-CG2 3.5Å; I274-T277 VanDerWaalsContact CG1-CG2 3.5Å; I274-T277 PolarHBondContact N-OG1 3.44Å; I274-T277 WeakPolarHBondContact O-CB 3.44Å; I274-T277 PolarHBondContact O-N 3.48Å; I274-T277 PolarHBondContact O-OG1 2.9Å; T277-R338 PolarHBondContact O-NH1 3.33Å; T277-R338 PolarHBondContact O-NH2 3.49Å
278	E	95.9	Very high	94.2	Very high	103 Å²	103	27.8 Å²	27.8	48%	0.481	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-76.4	137.1	-179.2	-68.2	-61.7	129	0	0	112	N252 P273	N252-E278 HydrophobicContact CB-CB 4.49Å; P273-E278 WeakPolarHBondContact CB-O 3.15Å
279	N	96.2	Very high	94.9	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-86.6	168.7	170.3	-70.2	-62.5	0	0	0	112	E317 Y318 T881	N279-E317 WeakPolarHBondContact CB-OE1 3.39Å; N279-E317 WeakPolarHBondContact ND2-CG 3.4Å; N279-E317 PolarHBondContact ND2-OE1 2.74Å; N279-Y318 HydrophobicContact CB-CE1 4.35Å; N279-Y318 PolarHBondContact ND2-OH 3.08Å; N279-Y318 VanDerWaalsContact ND2-OH 3.16Å; N279-T881 PolarHBondContact OD1-OG1 2.9Å
280	A	94.9	Very high	95.4	Very high	11 Å²	11	25 Å²	25	9%	0.091	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-62.4	153.4	166.4	0	0	0	0	0	111.3	P216 V248 D249 E250 V253	P216-A280 HydrophobicContact CB-CB 3.57Å; P216-A280 HydrophobicContact CG-CB 4.13Å; V248-A280 HydrophobicContact CG1-CB 3.82Å; D249-A280 WeakPolarHBondContact O-CA 3.47Å; E250-A280 HydrophobicContact CG-CB 3.79Å; V253-A280 HydrophobicContact CG2-CB 4.18Å; V253-A280 VanDerWaalsContact CG2-N 3.32Å
281	S	93.5	Very high	95.6	Very high	33 Å²	33	26.2 Å²	26.2	23%	0.231	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.3	171.3	70.2	0	0	0	0	111.5	V248 D249	V248-S281 WeakPolarHBondContact CA-O 3.46Å; D249-S281 PolarHBondContact N-O 2.94Å; D249-S281 PolarHBondContact O-N 3.24Å
282	S	94.4	Very high	95.5	Very high	13 Å²	13	26.7 Å²	26.7	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	-179.9	-60.5	0	0	0	0	111.2	E246 L309	E246-S282 WeakPolarHBondContact OE1-CB 3.42Å; E246-S282 PolarHBondContact OE1-OG 2.82Å; S282-L309 WeakPolarHBondContact O-CB 3.42Å; S282-L309 PolarHBondContact O-N 3.4Å
283	N	93.3	Very high	95	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.1	177.7	-61.4	-32.7	0	0	0	109.5	E246 E247 P308	E246-N283 CarbonylContact C-O 3.6Å; E246-N283 WeakPolarHBondContact CA-O 3.28Å; E247-N283 HydrophobicContact CB-CB 4.29Å; E247-N283 PolarHBondContact N-O 3.41Å; E247-N283 WeakPolarHBondContact O-CB 3.03Å; E247-N283 PolarHBondContact O-N 3.17Å; N283-P308 WeakPolarHBondContact OD1-CA 3.34Å; N283-P308 WeakPolarHBondContact OD1-CB 3.31Å
284	V	96.1	Very high	94.4	Very high	2 Å²	2	39 Å²	39	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.6	-179.3	-174.8	0	0	0	0	109.6	L244 Y245 L309 L319 F353	L244-V284 HydrophobicContact CD1-CG1 3.2Å; L244-V284 HydrophobicContact CD2-CG1 4.22Å; L244-V284 HydrophobicContact CG-CG1 3.76Å; Y245-V284 CarbonylContact O-C 3.58Å; Y245-V284 WeakPolarHBondContact O-CA 3.42Å; V284-L309 HydrophobicContact CG2-CD2 3.95Å; V284-L319 HydrophobicContact CG2-CD2 3.77Å; V284-F353 HydrophobicContact CB-CE1 4.47Å; V284-F353 HydrophobicContact CG1-CE1 4.12Å; V284-F353 HydrophobicContact CG1-CZ 4.34Å
285	K	97.1	Very high	93.8	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158	-177.7	-63.9	-175.7	-175.9	178.3	0	110.4	L244 Y245 E247 T302 L303 A304 H362	L244-K285 CarbonylContact C-O 3.6Å; L244-K285 WeakPolarHBondContact CA-O 3.2Å; Y245-K285 HydrophobicContact CD1-CB 4.13Å; Y245-K285 WeakPolarHBondContact CD1-O 3.46Å; Y245-K285 HydrophobicContact CE1-CB 3.54Å; Y245-K285 HydrophobicContact CE2-CB 3.99Å; Y245-K285 HydrophobicContact CE2-CD 4.17Å; Y245-K285 VanDerWaalsContact CZ-CB 3.47Å; Y245-K285 PolarHBondContact N-O 2.99Å; Y245-K285 PolarHBondContact O-N 3.2Å; Y245-K285 WeakPolarHBondContact OH-CD 3.35Å; E247-K285 WeakPolarHBondContact OE1-CE 3.32Å; E247-K285 IonicContact OE1-NZ 2.74Å; E247-K285 PolarHBondContact OE1-NZ 3.34Å; E247-K285 IonicContact OE2-NZ 2.7Å; E247-K285 PolarHBondContact OE2-NZ 3.28Å; K285-T302 HydrophobicContact CB-CG2 4.4Å; K285-T302 HydrophobicContact CD-CG2 4.3Å; K285-L303 CarbonylContact C-O 3.52Å; K285-L303 WeakPolarHBondContact CA-O 3.46Å; K285-L303 WeakPolarHBondContact CB-O 3.49Å; K285-A304 HydrophobicContact CD-CB 4.29Å; K285-A304 HydrophobicContact CG-CB 3.94Å; K285-H362 PolarHBondContact NZ-NE2 3.48Å
286	I	97.9	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.4	174.6	-63.6	167.6	0	0	0	108.6	Q242 L243 L244 T302 L303 W324 V331 V350 F353	Q242-I286 HydrophobicContact CB-CG2 3.91Å; Q242-I286 HydrophobicContact CG-CG2 3.96Å; L243-I286 CarbonylContact O-C 3.57Å; L243-I286 WeakPolarHBondContact O-CA 3.46Å; L244-I286 HydrophobicContact CD1-CG1 3.82Å; I286-T302 CarbonylContact O-C 3.38Å; I286-T302 WeakPolarHBondContact O-CA 3.36Å; I286-L303 HydrophobicContact CB-CB 4.21Å; I286-L303 HydrophobicContact CB-CD1 4.45Å; I286-L303 HydrophobicContact CG2-CD1 4.39Å; I286-L303 PolarHBondContact N-O 3.3Å; I286-L303 PolarHBondContact O-N 3.16Å; I286-W324 HydrophobicContact CD1-CH2 3.72Å; I286-W324 HydrophobicContact CD1-CZ2 4.35Å; I286-W324 HydrophobicContact CG1-CH2 4.13Å; I286-W324 HydrophobicContact CG1-CZ2 4.27Å; I286-V331 HydrophobicContact CD1-CG2 4.4Å; I286-V350 HydrophobicContact CD1-CG1 4.25Å; I286-F353 HydrophobicContact CD1-CB 3.91Å; I286-F353 HydrophobicContact CD1-CD1 3.89Å; I286-F353 HydrophobicContact CD1-CD2 3.57Å; I286-F353 HydrophobicContact CD1-CE1 4.27Å; I286-F353 HydrophobicContact CD1-CE2 3.98Å; I286-F353 HydrophobicContact CD1-CG 3.51Å; I286-F353 HydrophobicContact CD1-CZ 4.31Å; I286-F353 HydrophobicContact CG1-CD1 3.97Å; I286-F353 HydrophobicContact CG1-CD2 4.5Å; I286-F353 HydrophobicContact CG1-CE1 4.23Å; I286-F353 HydrophobicContact CG1-CG 4.11Å
287	Y	97.1	Very high	93.1	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.043	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	167.6	-173.1	-98.7	0	0	0	109.2	I190 I199 V201 Q242 L243 F289 V300	I190-Y287 HydrophobicContact CD1-CD1 3.8Å; I190-Y287 HydrophobicContact CD1-CE1 3.92Å; I199-Y287 WeakPolarHBondContact CD1-OH 3.46Å; V201-Y287 HydrophobicContact CB-CD2 4.4Å; V201-Y287 HydrophobicContact CB-CE2 4.42Å; V201-Y287 HydrophobicContact CG1-CD1 4.24Å; V201-Y287 HydrophobicContact CG1-CD2 3.61Å; V201-Y287 HydrophobicContact CG1-CE2 4.1Å; V201-Y287 HydrophobicContact CG1-CG 3.65Å; V201-Y287 HydrophobicContact CG2-CD1 4.09Å; V201-Y287 HydrophobicContact CG2-CE1 4.06Å; V201-Y287 HydrophobicContact CG2-CG 4.34Å; Q242-Y287 WeakPolarHBondContact CA-O 3.22Å; L243-Y287 PolarHBondContact N-O 2.89Å; L243-Y287 PolarHBondContact O-N 3.22Å; Y287-F289 AromaticContact CD1-CD1 3.74Å; Y287-F289 HydrophobicContact CD1-CD1 3.74Å; Y287-F289 HydrophobicContact CD1-CE1 4.25Å; Y287-F289 HydrophobicContact CE1-CB 4.45Å; Y287-F289 AromaticContact CE1-CD1 3.68Å; Y287-F289 HydrophobicContact CE1-CD1 3.68Å; Y287-F289 HydrophobicContact CE1-CE1 4.32Å; Y287-F289 HydrophobicContact CE1-CG 4.33Å; Y287-V300 HydrophobicContact CD2-CG1 4.34Å; Y287-V300 HydrophobicContact CE1-CG1 4.28Å; Y287-V300 HydrophobicContact CE2-CG1 3.4Å; Y287-V300 WeakPolarHBondContact OH-CG1 3.17Å
288	Q	96.4	Very high	92.9	Very high	20 Å²	20	41.2 Å²	41.2	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.9	-179.7	74.7	174.4	5.4	0	0	112.7	Y240 Y241 Q242 V300 Q301 L303	Y240-Q288 HydrophobicContact CD1-CB 4.38Å; Y240-Q288 HydrophobicContact CD1-CG 4.34Å; Y241-Q288 VanDerWaalsContact O-CA 3.26Å; Y241-Q288 WeakPolarHBondContact O-CA 3.37Å; Q242-Q288 HydrophobicContact CG-CB 3.81Å; Q242-Q288 VanDerWaalsContact NE2-OE1 3.1Å; Q288-V300 CarbonylContact O-C 3.5Å; Q288-V300 WeakPolarHBondContact O-CA 3.45Å; Q288-Q301 HydrophobicContact CG-CB 3.82Å; Q288-Q301 WeakPolarHBondContact CG-O 3.47Å; Q288-Q301 PolarHBondContact N-O 3.02Å; Q288-Q301 PolarHBondContact O-N 3.45Å; Q288-L303 HydrophobicContact CG-CD1 4.47Å; Q288-L303 HydrophobicContact CG-CG 4.43Å
289	F	96.2	Very high	92.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	163.9	-180	65.7	-83.6	0	0	0	112.3	L179 I190 W231 Y240 Y241 Y287 I297 V300	L179-F289 HydrophobicContact CD1-CE2 4.24Å; L179-F289 HydrophobicContact CD1-CZ 4.11Å; L179-F289 HydrophobicContact CD2-CE2 4.48Å; L179-F289 HydrophobicContact CD2-CZ 4.49Å; I190-F289 HydrophobicContact CD1-CD1 4.43Å; I190-F289 HydrophobicContact CD1-CE1 3.71Å; I190-F289 HydrophobicContact CD1-CZ 4.3Å; I190-F289 HydrophobicContact CG2-CZ 4.33Å; W231-F289 HydrophobicContact CH2-CE1 4.26Å; W231-F289 HydrophobicContact CH2-CZ 4.19Å; W231-F289 HydrophobicContact CZ3-CE1 4.09Å; W231-F289 HydrophobicContact CZ3-CZ 4.23Å; Y240-F289 WeakPolarHBondContact CA-O 3.43Å; Y241-F289 VanDerWaalsContact CB-CZ 3.49Å; Y241-F289 HydrophobicContact CD2-CD2 4.37Å; Y241-F289 AromaticContact CD2-CE2 3.93Å; Y241-F289 HydrophobicContact CD2-CE2 3.93Å; Y241-F289 HydrophobicContact CD2-CZ 4.36Å; Y241-F289 AromaticContact CG-CE2 3.99Å; Y241-F289 HydrophobicContact CG-CE2 3.99Å; Y241-F289 AromaticContact CG-CZ 3.94Å; Y241-F289 HydrophobicContact CG-CZ 3.94Å; Y241-F289 PolarHBondContact N-O 3.27Å; Y241-F289 PolarHBondContact O-N 3.44Å; Y287-F289 AromaticContact CD1-CD1 3.74Å; Y287-F289 HydrophobicContact CD1-CD1 3.74Å; Y287-F289 HydrophobicContact CD1-CE1 4.25Å; Y287-F289 HydrophobicContact CE1-CB 4.45Å; Y287-F289 AromaticContact CE1-CD1 3.68Å; Y287-F289 HydrophobicContact CE1-CD1 3.68Å; Y287-F289 HydrophobicContact CE1-CE1 4.32Å; Y287-F289 HydrophobicContact CE1-CG 4.33Å; F289-I297 HydrophobicContact CB-CG2 3.74Å; F289-I297 HydrophobicContact CD2-CB 4.28Å; F289-I297 HydrophobicContact CD2-CD1 4.25Å; F289-I297 HydrophobicContact CD2-CG1 3.86Å; F289-I297 HydrophobicContact CD2-CG2 3.68Å; F289-I297 HydrophobicContact CE2-CD1 4.08Å; F289-I297 HydrophobicContact CE2-CG1 3.96Å; F289-I297 HydrophobicContact CG-CG2 3.87Å; F289-V300 HydrophobicContact CB-CG2 3.98Å
290	K	95.6	Very high	92.6	Very high	61 Å²	61	43.4 Å²	43.4	27%	0.265	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.7	168.4	-64	-165.1	176.5	-163.4	0	110.2	D238 Y240 I297 S298 N299	D238-K290 WeakPolarHBondContact O-CE 3.37Å; D238-K290 PolarHBondContact O-NZ 3.45Å; Y240-K290 HydrophobicContact CD1-CG 3.7Å; Y240-K290 HydrophobicContact CE1-CD 4.29Å; Y240-K290 HydrophobicContact CE1-CG 3.65Å; Y240-K290 HydrophobicContact CG-CG 4.18Å; K290-I297 WeakPolarHBondContact O-CA 3.24Å; K290-S298 PolarHBondContact N-O 3.32Å; K290-S298 PolarHBondContact O-N 2.81Å; K290-N299 HydrophobicContact CB-CB 4.44Å; K290-N299 HydrophobicContact CG-CB 4.18Å
291	L	93.4	Very high	92.5	Very high	35 Å²	35	47 Å²	47	18%	0.183	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.7	173.5	-166.8	74.7	0	0	0	108.3	L179 Y192 Y241 G295 I297	L179-L291 HydrophobicContact CD1-CD2 4.18Å; L179-L291 HydrophobicContact CD2-CD1 4.31Å; L179-L291 HydrophobicContact CD2-CD2 4.27Å; L179-L291 HydrophobicContact CG-CD2 4.31Å; Y192-L291 HydrophobicContact CD2-CD1 4.49Å; Y192-L291 HydrophobicContact CD2-CD2 4.07Å; Y192-L291 HydrophobicContact CE2-CD2 3.86Å; Y241-L291 HydrophobicContact CD2-CB 4.09Å; Y241-L291 HydrophobicContact CE2-CB 3.55Å; Y241-L291 HydrophobicContact CE2-CD2 4.43Å; L291-G295 VanDerWaalsContact CD1-C 3.48Å; L291-G295 WeakPolarHBondContact CD1-O 3.4Å; L291-I297 HydrophobicContact CD1-CG1 3.76Å
292	D	90.3	Very high	92.6	Very high	67 Å²	67	46.8 Å²	46.8	36%	0.358	25%	0.251	S	S	.	.			trans	-78.6	173.1	172	75.7	12	0	0	0	111.9	M294 G295 K296	D292-M294 PolarHBondContact O-N 2.83Å; D292-M294 VanDerWaalsContact O-N 3.08Å; D292-M294 WeakPolarHBondContact OD1-CA 3.23Å; D292-M294 WeakPolarHBondContact OD1-CB 3.3Å; D292-M294 PolarHBondContact OD1-N 2.79Å; D292-G295 PolarHBondContact O-N 2.97Å; D292-G295 PolarHBondContact OD1-N 3.43Å; D292-G295 VanDerWaalsContact OD1-N 3.08Å; D292-K296 PolarHBondContact N-O 2.9Å; D292-K296 WeakPolarHBondContact OD1-CB 3.39Å; D292-K296 PolarHBondContact OD1-N 2.79Å; D292-K296 VanDerWaalsContact OD2-CB 3.27Å; D292-K296 WeakPolarHBondContact OD2-CB 3.43Å
293	S	84.7	Confident	92.7	Very high	119 Å²	119	46.8 Å²	46.8	83%	0.832	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.8	-179.8	59.9	0	0	0	0	114.3
294	M	83.2	Confident	92.8	Very high	144 Å²	144	45.9 Å²	45.9	71%	0.709	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	3.3	177.4	-63	-59.7	-56.8	0	0	112.2	D292 K296	D292-M294 PolarHBondContact O-N 2.83Å; D292-M294 VanDerWaalsContact O-N 3.08Å; D292-M294 WeakPolarHBondContact OD1-CA 3.23Å; D292-M294 WeakPolarHBondContact OD1-CB 3.3Å; D292-M294 PolarHBondContact OD1-N 2.79Å; M294-K296 VanDerWaalsContact C-N 3.34Å
295	G	83.8	Confident	92.6	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	25%	0.247	C	C	.	.	S	Bend	trans	78	15.8	-177.4	0	0	0	0	0	114.3	Y192 L291 D292	Y192-G295 VanDerWaalsContact CE1-CA 3.45Å; L291-G295 VanDerWaalsContact CD1-C 3.48Å; L291-G295 WeakPolarHBondContact CD1-O 3.4Å; D292-G295 PolarHBondContact O-N 2.97Å; D292-G295 PolarHBondContact OD1-N 3.43Å; D292-G295 VanDerWaalsContact OD1-N 3.08Å
296	K	88.7	Confident	92.1	Very high	126 Å²	126	47.9 Å²	47.9	55%	0.548	25%	0.254	S	S	.	.			trans	-83.2	126.7	175.1	-170.8	-174.9	174.1	-176.9	0	109.5	D292 M294	D292-K296 PolarHBondContact N-O 2.9Å; D292-K296 WeakPolarHBondContact OD1-CB 3.39Å; D292-K296 PolarHBondContact OD1-N 2.79Å; D292-K296 VanDerWaalsContact OD2-CB 3.27Å; D292-K296 WeakPolarHBondContact OD2-CB 3.43Å; M294-K296 VanDerWaalsContact C-N 3.34Å
297	I	90	Very high	91.6	Very high	29 Å²	29	48.4 Å²	48.4	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129	174	-66.4	173.9	0	0	0	109.6	I190 I199 F289 K290 L291 V300	I190-I297 HydrophobicContact CG2-CD1 4.16Å; I199-I297 HydrophobicContact CD1-CB 4.08Å; I199-I297 HydrophobicContact CD1-CD1 3.36Å; I199-I297 HydrophobicContact CD1-CG1 4.29Å; I199-I297 HydrophobicContact CD1-CG2 3.75Å; I199-I297 HydrophobicContact CG1-CD1 3.8Å; F289-I297 HydrophobicContact CB-CG2 3.74Å; F289-I297 HydrophobicContact CD2-CB 4.28Å; F289-I297 HydrophobicContact CD2-CD1 4.25Å; F289-I297 HydrophobicContact CD2-CG1 3.86Å; F289-I297 HydrophobicContact CD2-CG2 3.68Å; F289-I297 HydrophobicContact CE2-CD1 4.08Å; F289-I297 HydrophobicContact CE2-CG1 3.96Å; F289-I297 HydrophobicContact CG-CG2 3.87Å; K290-I297 WeakPolarHBondContact O-CA 3.24Å; L291-I297 HydrophobicContact CD1-CG1 3.76Å; I297-V300 HydrophobicContact CG2-CG2 3.55Å
298	S	92.5	Very high	91.2	Very high	43 Å²	43	49.8 Å²	49.8	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	173.4	176.6	76.4	0	0	0	0	111.3	K290 V300	K290-S298 PolarHBondContact N-O 3.32Å; K290-S298 PolarHBondContact O-N 2.81Å; S298-V300 PolarHBondContact O-N 2.89Å; S298-V300 VanDerWaalsContact O-N 3.15Å
299	N	92	Very high	91	Very high	92 Å²	92	49.2 Å²	49.2	49%	0.492	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	36.2	175.6	-59.4	61.5	0	0	0	113.1	Y240 K290 Q301	Y240-N299 HydrophobicContact CE1-CB 3.89Å; K290-N299 HydrophobicContact CB-CB 4.44Å; K290-N299 HydrophobicContact CG-CB 4.18Å; N299-Q301 PolarHBondContact O-N 3.49Å
300	V	93.5	Very high	90.8	Very high	67 Å²	67	53.2 Å²	53.2	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.5	-179.2	174.2	0	0	0	0	109.9	Y287 Q288 F289 I297 S298	Y287-V300 HydrophobicContact CD2-CG1 4.34Å; Y287-V300 HydrophobicContact CE1-CG1 4.28Å; Y287-V300 HydrophobicContact CE2-CG1 3.4Å; Y287-V300 WeakPolarHBondContact OH-CG1 3.17Å; Q288-V300 CarbonylContact O-C 3.5Å; Q288-V300 WeakPolarHBondContact O-CA 3.45Å; F289-V300 HydrophobicContact CB-CG2 3.98Å; I297-V300 HydrophobicContact CG2-CG2 3.55Å; S298-V300 PolarHBondContact O-N 2.89Å; S298-V300 VanDerWaalsContact O-N 3.15Å
301	Q	93.9	Very high	90.6	Very high	86 Å²	86	55.1 Å²	55.1	40%	0.402	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143	170.2	-66.7	179.3	-18.5	0	0	109.4	Q288 N299	Q288-Q301 HydrophobicContact CG-CB 3.82Å; Q288-Q301 WeakPolarHBondContact CG-O 3.47Å; Q288-Q301 PolarHBondContact N-O 3.02Å; Q288-Q301 PolarHBondContact O-N 3.45Å; N299-Q301 PolarHBondContact O-N 3.49Å
302	T	95.3	Very high	90.5	Very high	29 Å²	29	53.6 Å²	53.6	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.1	167.6	-58	0	0	0	0	108.2	Y245 K285 I286 I356	Y245-T302 HydrophobicContact CE1-CG2 4.4Å; Y245-T302 WeakPolarHBondContact OH-CG2 3.34Å; K285-T302 HydrophobicContact CB-CG2 4.4Å; K285-T302 HydrophobicContact CD-CG2 4.3Å; I286-T302 CarbonylContact O-C 3.38Å; I286-T302 WeakPolarHBondContact O-CA 3.36Å; T302-I356 HydrophobicContact CG2-CD1 3.73Å; T302-I356 HydrophobicContact CG2-CG1 4.28Å; T302-I356 PolarHBondContact O-N 3.38Å
303	L	95.6	Very high	90.6	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.6	175.9	-45.3	177.4	0	0	0	109	K285 I286 Q288 F353 L354 P355	K285-L303 CarbonylContact C-O 3.52Å; K285-L303 WeakPolarHBondContact CA-O 3.46Å; K285-L303 WeakPolarHBondContact CB-O 3.49Å; I286-L303 HydrophobicContact CB-CB 4.21Å; I286-L303 HydrophobicContact CB-CD1 4.45Å; I286-L303 HydrophobicContact CG2-CD1 4.39Å; I286-L303 PolarHBondContact N-O 3.3Å; I286-L303 PolarHBondContact O-N 3.16Å; Q288-L303 HydrophobicContact CG-CD1 4.47Å; Q288-L303 HydrophobicContact CG-CG 4.43Å; L303-F353 HydrophobicContact CB-CB 3.71Å; L303-F353 HydrophobicContact CD1-CB 4.49Å; L303-L354 CarbonylContact C-O 3.48Å; L303-L354 WeakPolarHBondContact CA-O 3.47Å; L303-P355 HydrophobicContact CD2-CB 4.3Å; L303-P355 HydrophobicContact CD2-CG 3.92Å
304	A	94.9	Very high	91	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.3	-179.2	0	0	0	0	0	111	K285 F353 L354 V359	K285-A304 HydrophobicContact CD-CB 4.29Å; K285-A304 HydrophobicContact CG-CB 3.94Å; A304-F353 CarbonylContact O-C 3.57Å; A304-F353 WeakPolarHBondContact O-CA 3.38Å; A304-L354 PolarHBondContact N-O 2.79Å; A304-L354 PolarHBondContact O-N 3.08Å; A304-V359 HydrophobicContact CB-CG2 4.28Å
305	L	92.8	Very high	91.3	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.047	25%	0.246	C	C	.	.			trans	-65.9	158.8	166.5	-60.4	174.1	0	0	0	110	S307 L309 Y312 I348 N352 F353	L305-S307 WeakPolarHBondContact CB-O 3.36Å; L305-S307 PolarHBondContact O-N 3.48Å; L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-Y312 HydrophobicContact CB-CG 4.47Å; L305-Y312 HydrophobicContact CD1-CD1 3.82Å; L305-Y312 HydrophobicContact CD1-CE1 4.31Å; L305-Y312 HydrophobicContact CD1-CG 4.35Å; L305-Y312 HydrophobicContact CD2-CD1 4.19Å; L305-Y312 HydrophobicContact CD2-CE1 3.85Å; L305-Y312 HydrophobicContact CG-CD1 4.4Å; L305-I348 HydrophobicContact CD1-CD1 4.46Å; L305-I348 HydrophobicContact CD2-CG2 3.97Å; L305-N352 HydrophobicContact CD2-CB 4.31Å; L305-F353 HydrophobicContact CD1-CE1 4.37Å; L305-F353 HydrophobicContact CD2-CD1 3.93Å; L305-F353 HydrophobicContact CD2-CD2 4.23Å; L305-F353 HydrophobicContact CD2-CE1 3.76Å; L305-F353 HydrophobicContact CD2-CE2 4.08Å; L305-F353 HydrophobicContact CD2-CG 4.17Å; L305-F353 HydrophobicContact CD2-CZ 3.85Å; L305-F353 HydrophobicContact CG-CD1 4.06Å; L305-F353 HydrophobicContact CG-CE1 3.76Å; L305-F353 HydrophobicContact CG-CZ 4.23Å
306	R	86.7	Confident	91.9	Very high	48 Å²	48	47.4 Å²	47.4	18%	0.181	25%	0.246	C	C	.	.	S	Bend	trans	-61.7	-27.3	179.8	-68.2	-176.7	178.5	-174.2	-2.2	114.2	L354 F384 E471	R306-L354 HydrophobicContact CG-CD1 4.13Å; R306-F384 PolarHBondContact NH2-O 3.12Å; R306-E471 WeakPolarHBondContact CD-O 3.36Å; R306-E471 PolarHBondContact NH1-O 3.1Å
307	S	86.8	Confident	92.2	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.07	23%	0.226	C	C	.	.	S	Bend	trans	-146.9	160.6	-179.9	62.7	0	0	0	0	109	L305 Y312 Q472	L305-S307 WeakPolarHBondContact CB-O 3.36Å; L305-S307 PolarHBondContact O-N 3.48Å; S307-Y312 WeakPolarHBondContact OG-CA 3.46Å; S307-Y312 WeakPolarHBondContact OG-CB 3.42Å; S307-Y312 PolarHBondContact OG-N 3.1Å; S307-Q472 PolarHBondContact OG-O 2.7Å
308	P	88.4	Confident	92.6	Very high	41 Å²	41	41.6 Å²	41.6	27%	0.266	22%	0.22	S	C	.	.			trans	-44.9	146.1	169.1	-36.2	40.8	0	0	0	113.8	N283 K310 Q311 Y312	N283-P308 WeakPolarHBondContact OD1-CA 3.34Å; N283-P308 WeakPolarHBondContact OD1-CB 3.31Å; P308-K310 VanDerWaalsContact C-N 3.28Å; P308-K310 PolarHBondContact O-N 2.83Å; P308-K310 VanDerWaalsContact O-N 3.13Å; P308-Q311 HydrophobicContact CB-CG 4.39Å; P308-Q311 CarbonylContact O-C 3.51Å; P308-Q311 WeakPolarHBondContact O-CA 3.26Å; P308-Q311 WeakPolarHBondContact O-CB 3.44Å; P308-Q311 PolarHBondContact O-N 2.82Å; P308-Y312 PolarHBondContact O-N 3.33Å
309	L	92.9	Very high	92.8	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-56.5	-40.4	-170.3	-173.1	63.7	0	0	0	113.1	S282 V284 L305 Q311 Y312 I313 L319 L335 I348	S282-L309 WeakPolarHBondContact O-CB 3.42Å; S282-L309 PolarHBondContact O-N 3.4Å; V284-L309 HydrophobicContact CG2-CD2 3.95Å; L305-L309 HydrophobicContact CD1-CD1 3.96Å; L309-Q311 VanDerWaalsContact C-N 3.27Å; L309-Q311 PolarHBondContact O-N 2.82Å; L309-Y312 PolarHBondContact O-N 2.77Å; L309-I313 HydrophobicContact CD1-CD1 4.17Å; L309-I313 PolarHBondContact O-N 2.8Å; L309-L319 HydrophobicContact CD2-CB 4.33Å; L309-L319 HydrophobicContact CD2-CD1 4.13Å; L309-L319 HydrophobicContact CD2-CD2 4.21Å; L309-L319 HydrophobicContact CD2-CG 4.47Å; L309-L335 HydrophobicContact CD2-CD2 3.73Å; L309-L335 HydrophobicContact CG-CD2 4.4Å; L309-I348 HydrophobicContact CD1-CD1 4.02Å
310	K	91.3	Very high	93.1	Very high	84 Å²	84	35.4 Å²	35.4	37%	0.365	18%	0.183	S	C	.	.	H	α-helix	trans	-64.2	-27.1	176.6	178.2	169.8	173.6	175.3	0	113.4	P308 P314 E317	P308-K310 VanDerWaalsContact C-N 3.28Å; P308-K310 PolarHBondContact O-N 2.83Å; P308-K310 VanDerWaalsContact O-N 3.13Å; K310-P314 WeakPolarHBondContact O-CA 3.09Å; K310-E317 VanDerWaalsContact CE-OE2 3.31Å; K310-E317 WeakPolarHBondContact CE-OE2 3.33Å; K310-E317 VanDerWaalsContact NZ-CD 3.34Å; K310-E317 IonicContact NZ-OE1 2.83Å; K310-E317 PolarHBondContact NZ-OE1 2.88Å; K310-E317 IonicContact NZ-OE2 3.27Å; K310-E317 PolarHBondContact NZ-OE2 3.47Å
311	Q	91.3	Very high	93.3	Very high	101 Å²	101	33.2 Å²	33.2	47%	0.472	17%	0.168	S	C	.	.	H	α-helix	trans	-87.3	-39.2	174.1	-63.9	176.1	9	0	0	111	P308 L309	P308-Q311 HydrophobicContact CB-CG 4.39Å; P308-Q311 CarbonylContact O-C 3.51Å; P308-Q311 WeakPolarHBondContact O-CA 3.26Å; P308-Q311 WeakPolarHBondContact O-CB 3.44Å; P308-Q311 PolarHBondContact O-N 2.82Å; L309-Q311 VanDerWaalsContact C-N 3.27Å; L309-Q311 PolarHBondContact O-N 2.82Å
312	Y	91.9	Very high	93.5	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-44.8	-179.9	-167.9	-115.2	0	0	0	111.7	L305 S307 P308 L309 I348 N352 A474	L305-Y312 HydrophobicContact CB-CG 4.47Å; L305-Y312 HydrophobicContact CD1-CD1 3.82Å; L305-Y312 HydrophobicContact CD1-CE1 4.31Å; L305-Y312 HydrophobicContact CD1-CG 4.35Å; L305-Y312 HydrophobicContact CD2-CD1 4.19Å; L305-Y312 HydrophobicContact CD2-CE1 3.85Å; L305-Y312 HydrophobicContact CG-CD1 4.4Å; S307-Y312 WeakPolarHBondContact OG-CA 3.46Å; S307-Y312 WeakPolarHBondContact OG-CB 3.42Å; S307-Y312 PolarHBondContact OG-N 3.1Å; P308-Y312 PolarHBondContact O-N 3.33Å; L309-Y312 PolarHBondContact O-N 2.77Å; Y312-I348 HydrophobicContact CE1-CG2 4.48Å; Y312-N352 PolarHBondContact OH-ND2 3.12Å; Y312-A474 HydrophobicContact CD1-CB 3.84Å; Y312-A474 HydrophobicContact CD2-CB 4.13Å; Y312-A474 HydrophobicContact CE1-CB 3.51Å; Y312-A474 HydrophobicContact CE2-CB 3.81Å; Y312-A474 HydrophobicContact CG-CB 4.13Å; Y312-A474 VanDerWaalsContact CZ-CB 3.48Å; Y312-A474 VanDerWaalsContact O-CB 3.29Å; Y312-A474 WeakPolarHBondContact O-CB 3.46Å; Y312-A474 PolarHBondContact O-N 3.14Å
313	I	93.4	Very high	93.6	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.036	14%	0.144	C	C	.	.	S	Bend	trans	-121.6	88.3	173.9	-55.2	171.2	0	0	0	107.7	L309 F316 L335 V346 I348 A474	L309-I313 HydrophobicContact CD1-CD1 4.17Å; L309-I313 PolarHBondContact O-N 2.8Å; I313-F316 HydrophobicContact CG2-CD2 3.87Å; I313-F316 HydrophobicContact CG2-CE2 3.96Å; I313-L335 HydrophobicContact CB-CD1 4.17Å; I313-L335 HydrophobicContact CD1-CD1 3.97Å; I313-L335 HydrophobicContact CG2-CD1 3.92Å; I313-V346 HydrophobicContact CD1-CG1 3.95Å; I313-I348 HydrophobicContact CD1-CD1 4.03Å; I313-I348 HydrophobicContact CD1-CG1 4.24Å; I313-A474 HydrophobicContact CG1-CB 4.28Å
314	P	91.6	Very high	93.7	Very high	59 Å²	59	28.6 Å²	28.6	38%	0.383	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	166.5	-174.6	27.9	-35.2	0	0	0	113.1	K310 F316	K310-P314 WeakPolarHBondContact O-CA 3.09Å; P314-F316 VanDerWaalsContact C-N 3.34Å; P314-F316 PolarHBondContact O-N 2.81Å
315	N	90.7	Very high	93.7	Very high	128 Å²	128	28.7 Å²	28.7	68%	0.684	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.1	-11	179.2	-47.3	-58.7	0	0	0	116.8	T337	N315-T337 WeakPolarHBondContact O-CG2 3.5Å
316	F	95.4	Very high	93.8	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.044	16%	0.158	C	C	.	.			trans	-100.1	142.2	175.2	-58.4	-81	0	0	0	111.2	I313 P314 L335 T337 R342 S344	I313-F316 HydrophobicContact CG2-CD2 3.87Å; I313-F316 HydrophobicContact CG2-CE2 3.96Å; P314-F316 VanDerWaalsContact C-N 3.34Å; P314-F316 PolarHBondContact O-N 2.81Å; F316-L335 HydrophobicContact CB-CB 3.7Å; F316-L335 HydrophobicContact CD1-CB 3.6Å; F316-L335 VanDerWaalsContact CD1-O 3.28Å; F316-L335 WeakPolarHBondContact CD1-O 3.49Å; F316-L335 HydrophobicContact CD2-CB 3.97Å; F316-L335 HydrophobicContact CD2-CD1 4.05Å; F316-L335 HydrophobicContact CE1-CB 4.2Å; F316-L335 WeakPolarHBondContact CE1-O 3.49Å; F316-L335 HydrophobicContact CG-CB 3.46Å; F316-L335 VanDerWaalsContact CG-CB 3.46Å; F316-L335 HydrophobicContact CG-CD1 4.32Å; F316-T337 HydrophobicContact CD1-CG2 4.19Å; F316-T337 HydrophobicContact CE1-CG2 4.33Å; F316-R342 HydrophobicContact CE1-CG 4.44Å; F316-S344 VanDerWaalsContact CZ-CB 3.49Å; F316-S344 WeakPolarHBondContact CZ-OG 2.89Å
317	E	96.2	Very high	94	Very high	25 Å²	25	31.9 Å²	31.9	12%	0.117	17%	0.169	C	C	.	.			trans	-102.7	-43.6	-176.8	-170.8	70.3	-176.6	0	0	111.1	N279 K310 I336 R338	N279-E317 WeakPolarHBondContact CB-OE1 3.39Å; N279-E317 WeakPolarHBondContact ND2-CG 3.4Å; N279-E317 PolarHBondContact ND2-OE1 2.74Å; K310-E317 VanDerWaalsContact CE-OE2 3.31Å; K310-E317 WeakPolarHBondContact CE-OE2 3.33Å; K310-E317 VanDerWaalsContact NZ-CD 3.34Å; K310-E317 IonicContact NZ-OE1 2.83Å; K310-E317 PolarHBondContact NZ-OE1 2.88Å; K310-E317 IonicContact NZ-OE2 3.27Å; K310-E317 PolarHBondContact NZ-OE2 3.47Å; E317-I336 PolarHBondContact N-O 2.98Å; E317-R338 HydrophobicContact CB-CB 3.88Å; E317-R338 HydrophobicContact CG-CB 4.03Å; E317-R338 HydrophobicContact CG-CG 4.24Å
318	Y	97.5	Very high	94.4	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.8	-171.4	-47.3	-79.8	0	0	0	111.9	V218 F223 N279 I336 Q340 T881 A882	V218-Y318 HydrophobicContact CG2-CD1 4.35Å; V218-Y318 HydrophobicContact CG2-CE1 4.03Å; F223-Y318 HydrophobicContact CE2-CD1 4.29Å; F223-Y318 HydrophobicContact CE2-CD2 4.25Å; F223-Y318 HydrophobicContact CE2-CG 4.04Å; F223-Y318 HydrophobicContact CZ-CD2 4.08Å; F223-Y318 HydrophobicContact CZ-CG 4.26Å; N279-Y318 HydrophobicContact CB-CE1 4.35Å; N279-Y318 PolarHBondContact ND2-OH 3.08Å; N279-Y318 VanDerWaalsContact ND2-OH 3.16Å; Y318-I336 HydrophobicContact CD2-CG2 3.98Å; Y318-I336 HydrophobicContact CG-CG2 4.37Å; Y318-I336 PolarHBondContact N-O 3.25Å; Y318-I336 PolarHBondContact O-N 3.37Å; Y318-I336 VanDerWaalsContact O-N 3.1Å; Y318-Q340 HydrophobicContact CE2-CG 4.46Å; Y318-T881 PolarHBondContact OH-OG1 3.32Å; Y318-A882 HydrophobicContact CE1-CB 4.36Å
319	L	97.7	Very high	94.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	103	163.8	176.5	63.2	0	0	0	108.8	R225 E246 V284 L309 A322 C333 L335	R225-L319 PolarHBondContact NE-O 3.01Å; R225-L319 PolarHBondContact NH2-O 3.08Å; E246-L319 HydrophobicContact CG-CD2 4.36Å; V284-L319 HydrophobicContact CG2-CD2 3.77Å; L309-L319 HydrophobicContact CD2-CB 4.33Å; L309-L319 HydrophobicContact CD2-CD1 4.13Å; L309-L319 HydrophobicContact CD2-CD2 4.21Å; L309-L319 HydrophobicContact CD2-CG 4.47Å; L319-A322 HydrophobicContact CD1-CB 4.26Å; L319-C333 HydrophobicContact CD1-CB 3.87Å; L319-L335 HydrophobicContact CB-CD2 4.43Å; L319-L335 HydrophobicContact CD1-CD2 3.68Å
320	V	97.3	Very high	94.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-32.5	-172.4	-65.1	0	0	0	0	113.5	F223 R225 Q334 I336 L343 V404	F223-V320 HydrophobicContact CB-CG1 4.33Å; F223-V320 HydrophobicContact CD1-CB 4.27Å; F223-V320 HydrophobicContact CD1-CG1 3.46Å; F223-V320 VanDerWaalsContact CD1-CG1 3.46Å; F223-V320 HydrophobicContact CD2-CG1 4.17Å; F223-V320 HydrophobicContact CE1-CG1 3.62Å; F223-V320 HydrophobicContact CE2-CG1 4.29Å; F223-V320 HydrophobicContact CG-CG1 3.74Å; F223-V320 HydrophobicContact CZ-CG1 4.02Å; R225-V320 WeakPolarHBondContact CD-O 3.15Å; R225-V320 PolarHBondContact NE-O 3.15Å; V320-Q334 HydrophobicContact CG2-CB 3.73Å; V320-Q334 WeakPolarHBondContact CG2-O 3.41Å; V320-Q334 PolarHBondContact N-O 2.95Å; V320-Q334 VanDerWaalsContact N-O 3.09Å; V320-I336 HydrophobicContact CG1-CG2 3.52Å; V320-I336 HydrophobicContact CG2-CG2 4.49Å; V320-L343 HydrophobicContact CG2-CD1 4.2Å; V320-V404 HydrophobicContact CB-CG1 4.09Å; V320-V404 HydrophobicContact CG2-CG1 3.92Å; V320-V404 HydrophobicContact CG2-CG2 4.37Å
321	R	97.3	Very high	95.1	Very high	22 Å²	22	31.1 Å²	31.1	8%	0.083	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.1	173.3	-61.2	-66	-176.2	-87	6	109.8	F223 W332 Q334 D406	F223-R321 PolarHBondContact O-NH1 3.31Å; F223-R321 PolarHBondContact O-NH2 2.82Å; F223-R321 VanDerWaalsContact O-NH2 3.11Å; R321-W332 HydrophobicContact CB-CH2 4.17Å; R321-W332 HydrophobicContact CB-CZ3 3.74Å; R321-Q334 HydrophobicContact CB-CB 4.03Å; R321-Q334 HydrophobicContact CB-CG 4.08Å; R321-Q334 PolarHBondContact O-N 3.3Å; R321-D406 IonicContact CZ-OD1 2.83Å; R321-D406 IonicContact CZ-OD2 3.8Å; R321-D406 IonicContact NE-OD1 3.81Å; R321-D406 PolarHBondContact NE-OD1 3.02Å; R321-D406 IonicContact NE-OD2 3.4Å; R321-D406 IonicContact NH2-OD1 3.52Å; R321-D406 PolarHBondContact NH2-OD1 2.94Å; R321-D406 IonicContact NH2-OD2 3.81Å; R321-D406 PolarHBondContact NH2-OD2 2.99Å
322	A	97.7	Very high	95.4	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	165.1	173	0	0	0	0	0	111	W230 L319 W332	W230-A322 HydrophobicContact CD2-CB 4.35Å; W230-A322 HydrophobicContact CE3-CB 4.24Å; W230-A322 HydrophobicContact CH2-CB 3.75Å; W230-A322 HydrophobicContact CZ2-CB 3.87Å; W230-A322 HydrophobicContact CZ3-CB 3.95Å; W230-A322 PolarHBondContact NE1-O 2.85Å; L319-A322 HydrophobicContact CD1-CB 4.26Å; A322-W332 VanDerWaalsContact C-CZ3 3.5Å; A322-W332 CarbonylContact C-O 3.53Å; A322-W332 WeakPolarHBondContact CA-O 3.25Å; A322-W332 VanDerWaalsContact O-CH2 3.25Å; A322-W332 WeakPolarHBondContact O-CH2 3.3Å; A322-W332 WeakPolarHBondContact O-CZ2 3.41Å
323	G	97.4	Very high	95.7	Very high	4 Å²	4	28.1 Å²	28.1	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-156.7	173.5	0	0	0	0	0	111.9	V331 W332	G323-V331 CarbonylContact O-C 3.58Å; G323-V331 WeakPolarHBondContact O-CA 3.23Å; G323-W332 VanDerWaalsContact C-CD1 3.48Å; G323-W332 VanDerWaalsContact C-NE1 3.3Å; G323-W332 VanDerWaalsContact CA-CE2 3.43Å; G323-W332 PolarHBondContact N-O 2.89Å; G323-W332 PolarHBondContact O-N 2.82Å
324	W	97.7	Very high	96	Very high	20 Å²	20	28 Å²	28	8%	0.076	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.6	-179.3	-65.4	88.4	0	0	0	111.3	W230 R232 P233 Q242 L244 I286 V331 W332 V350	W230-W324 PolarHBondContact O-NE1 2.98Å; R232-W324 HydrophobicContact CB-CD2 4.14Å; R232-W324 HydrophobicContact CB-CE3 4.41Å; R232-W324 HydrophobicContact CB-CH2 4.31Å; R232-W324 HydrophobicContact CB-CZ2 4.06Å; R232-W324 HydrophobicContact CB-CZ3 4.46Å; R232-W324 HydrophobicContact CG-CD2 4.11Å; R232-W324 HydrophobicContact CG-CE3 3.95Å; R232-W324 HydrophobicContact CG-CH2 4.32Å; R232-W324 HydrophobicContact CG-CZ2 4.5Å; R232-W324 HydrophobicContact CG-CZ3 4.03Å; P233-W324 HydrophobicContact CG-CB 4.02Å; Q242-W324 HydrophobicContact CB-CH2 4.33Å; Q242-W324 HydrophobicContact CB-CZ2 4.44Å; L244-W324 HydrophobicContact CB-CZ2 3.75Å; L244-W324 HydrophobicContact CD1-CZ2 4.48Å; I286-W324 HydrophobicContact CD1-CH2 3.72Å; I286-W324 HydrophobicContact CD1-CZ2 4.35Å; I286-W324 HydrophobicContact CG1-CH2 4.13Å; I286-W324 HydrophobicContact CG1-CZ2 4.27Å; W324-V331 HydrophobicContact CD2-CG2 4.27Å; W324-V331 HydrophobicContact CE3-CG2 4.05Å; W324-V331 HydrophobicContact CH2-CG2 4.05Å; W324-V331 HydrophobicContact CZ2-CG2 4.23Å; W324-V331 HydrophobicContact CZ3-CG2 3.97Å; W324-W332 VanDerWaalsContact N-NE1 3.18Å; W324-W332 VanDerWaalsContact O-CD1 3.29Å; W324-W332 PolarHBondContact O-NE1 2.82Å; W324-V350 HydrophobicContact CE3-CG2 4.38Å; W324-V350 HydrophobicContact CH2-CG2 4.31Å; W324-V350 HydrophobicContact CZ3-CG2 3.53Å
325	T	96.6	Very high	96.2	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.043	13%	0.13	C	C	.	.			trans	-65.8	153.6	162.7	51.9	0	0	0	0	109.9	P233 D327 G328 Y330 L347 F410	P233-T325 VanDerWaalsContact CG-O 3.3Å; P233-T325 WeakPolarHBondContact CG-O 3.44Å; T325-D327 WeakPolarHBondContact CB-OD1 3.43Å; T325-D327 PolarHBondContact O-N 2.96Å; T325-D327 VanDerWaalsContact O-N 3.11Å; T325-D327 PolarHBondContact OG1-OD1 2.89Å; T325-G328 WeakPolarHBondContact O-CA 3.39Å; T325-G328 PolarHBondContact O-N 3.07Å; T325-Y330 HydrophobicContact CG2-CD2 4.46Å; T325-Y330 PolarHBondContact N-O 3.38Å; T325-Y330 PolarHBondContact OG1-N 3.47Å; T325-Y330 PolarHBondContact OG1-O 2.87Å; T325-L347 HydrophobicContact CG2-CD2 3.95Å; T325-F410 HydrophobicContact CG2-CE1 4.43Å
326	P	93.8	Very high	96.6	Very high	49 Å²	49	19.3 Å²	19.3	32%	0.318	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.1	-175	-28.5	35.9	0	0	0	114.9	P233 G328 F410	P233-P326 WeakPolarHBondContact CG-O 3.21Å; P326-G328 VanDerWaalsContact C-N 3.33Å; P326-F410 HydrophobicContact CG-CB 3.77Å
327	D	91.8	Very high	96.7	Very high	75 Å²	75	20 Å²	20	40%	0.401	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.3	176	63.4	-1.4	0	0	0	113.8	R232 T234 T325 N329	R232-D327 PolarHBondContact NH2-O 3.21Å; T234-D327 PolarHBondContact OG1-O 3.04Å; T325-D327 WeakPolarHBondContact CB-OD1 3.43Å; T325-D327 PolarHBondContact O-N 2.96Å; T325-D327 VanDerWaalsContact O-N 3.11Å; T325-D327 PolarHBondContact OG1-OD1 2.89Å; D327-N329 VanDerWaalsContact C-N 3.31Å; D327-N329 VanDerWaalsContact CG-ND2 3.27Å; D327-N329 PolarHBondContact OD1-N 3.34Å; D327-N329 PolarHBondContact OD2-ND2 3.39Å
328	G	94.3	Very high	96.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	70.5	20.7	-176.2	0	0	0	0	0	114.4	R232 T325 P326	R232-G328 PolarHBondContact NE-O 2.78Å; R232-G328 PolarHBondContact NH2-O 2.99Å; R232-G328 VanDerWaalsContact NH2-O 3.13Å; T325-G328 WeakPolarHBondContact O-CA 3.39Å; T325-G328 PolarHBondContact O-N 3.07Å; P326-G328 VanDerWaalsContact C-N 3.33Å
329	N	93.7	Very high	96.7	Very high	90 Å²	90	23.2 Å²	23.2	48%	0.481	12%	0.117	S	C	.	.	S	Bend	trans	-86.2	-20.3	178.1	-71.1	-30.8	0	0	0	113.3	D327 V350	D327-N329 VanDerWaalsContact C-N 3.31Å; D327-N329 VanDerWaalsContact CG-ND2 3.27Å; D327-N329 PolarHBondContact OD1-N 3.34Å; D327-N329 PolarHBondContact OD2-ND2 3.39Å; N329-V350 VanDerWaalsContact O-CG2 3.24Å; N329-V350 WeakPolarHBondContact O-CG2 3.41Å; N329-V350 PolarHBondContact O-N 2.92Å
330	Y	96.6	Very high	96.7	Very high	35 Å²	35	23 Å²	23	14%	0.137	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.8	178.9	-60.1	-89.7	0	0	0	111	T325 L347 I348 P349 N431 W454	T325-Y330 HydrophobicContact CG2-CD2 4.46Å; T325-Y330 PolarHBondContact N-O 3.38Å; T325-Y330 PolarHBondContact OG1-N 3.47Å; T325-Y330 PolarHBondContact OG1-O 2.87Å; Y330-L347 HydrophobicContact CD1-CB 3.82Å; Y330-L347 HydrophobicContact CD1-CD1 4.34Å; Y330-L347 HydrophobicContact CD2-CD1 4.39Å; Y330-L347 HydrophobicContact CG-CB 4.12Å; Y330-L347 HydrophobicContact CG-CD1 4.14Å; Y330-I348 WeakPolarHBondContact CA-O 3.34Å; Y330-P349 HydrophobicContact CD1-CB 4.34Å; Y330-P349 HydrophobicContact CD1-CG 4.2Å; Y330-P349 HydrophobicContact CE1-CB 4.21Å; Y330-P349 HydrophobicContact CE1-CG 3.94Å; Y330-N431 PolarHBondContact OH-ND2 2.97Å; Y330-W454 HydrophobicContact CE2-CZ2 4.22Å; Y330-W454 PolarHBondContact OH-NE1 3.21Å
331	V	98	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.6	159.3	168.8	0	0	0	0	107.3	L244 I286 G323 W324 L347 I348 F353	L244-V331 HydrophobicContact CD1-CB 4.45Å; L244-V331 HydrophobicContact CD1-CG1 3.98Å; L244-V331 HydrophobicContact CD1-CG2 3.62Å; L244-V331 HydrophobicContact CD2-CB 4.4Å; L244-V331 HydrophobicContact CD2-CG1 3.5Å; L244-V331 VanDerWaalsContact CD2-CG1 3.5Å; L244-V331 HydrophobicContact CD2-CG2 4.08Å; L244-V331 HydrophobicContact CG-CG1 4.39Å; L244-V331 HydrophobicContact CG-CG2 4.44Å; I286-V331 HydrophobicContact CD1-CG2 4.4Å; G323-V331 CarbonylContact O-C 3.58Å; G323-V331 WeakPolarHBondContact O-CA 3.23Å; W324-V331 HydrophobicContact CD2-CG2 4.27Å; W324-V331 HydrophobicContact CE3-CG2 4.05Å; W324-V331 HydrophobicContact CH2-CG2 4.05Å; W324-V331 HydrophobicContact CZ2-CG2 4.23Å; W324-V331 HydrophobicContact CZ3-CG2 3.97Å; V331-L347 CarbonylContact O-C 3.59Å; V331-L347 WeakPolarHBondContact O-CA 2.92Å; V331-I348 HydrophobicContact CB-CB 4.41Å; V331-I348 PolarHBondContact N-O 3.44Å; V331-I348 PolarHBondContact O-N 3.43Å; V331-F353 HydrophobicContact CB-CE2 4.23Å; V331-F353 HydrophobicContact CB-CZ 4.25Å; V331-F353 HydrophobicContact CG1-CZ 4.47Å; V331-F353 HydrophobicContact CG2-CE2 3.92Å; V331-F353 HydrophobicContact CG2-CZ 4.01Å
332	W	98	Very high	96.7	Very high	41 Å²	41	27.3 Å²	27.3	16%	0.155	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.3	171.6	62.5	-101.5	0	0	0	110.6	R321 A322 G323 W324 Q334 L345 V346 L347 L408 F410	R321-W332 HydrophobicContact CB-CH2 4.17Å; R321-W332 HydrophobicContact CB-CZ3 3.74Å; A322-W332 VanDerWaalsContact C-CZ3 3.5Å; A322-W332 CarbonylContact C-O 3.53Å; A322-W332 WeakPolarHBondContact CA-O 3.25Å; A322-W332 VanDerWaalsContact O-CH2 3.25Å; A322-W332 WeakPolarHBondContact O-CH2 3.3Å; A322-W332 WeakPolarHBondContact O-CZ2 3.41Å; G323-W332 VanDerWaalsContact C-CD1 3.48Å; G323-W332 VanDerWaalsContact C-NE1 3.3Å; G323-W332 VanDerWaalsContact CA-CE2 3.43Å; G323-W332 PolarHBondContact N-O 2.89Å; G323-W332 PolarHBondContact O-N 2.82Å; W324-W332 VanDerWaalsContact N-NE1 3.18Å; W324-W332 VanDerWaalsContact O-CD1 3.29Å; W324-W332 PolarHBondContact O-NE1 2.82Å; W332-Q334 HydrophobicContact CZ3-CG 4.38Å; W332-L345 HydrophobicContact CB-CD1 4.1Å; W332-L345 HydrophobicContact CD2-CD1 4.48Å; W332-L345 HydrophobicContact CE3-CD1 3.95Å; W332-V346 CarbonylContact C-O 3.57Å; W332-V346 WeakPolarHBondContact CA-O 3.41Å; W332-L347 HydrophobicContact CB-CD2 3.6Å; W332-L408 HydrophobicContact CD2-CD2 4.39Å; W332-L408 HydrophobicContact CE3-CD2 4.12Å; W332-L408 HydrophobicContact CH2-CD2 4.41Å; W332-L408 HydrophobicContact CZ3-CD2 4.13Å; W332-F410 HydrophobicContact CB-CE2 4.22Å; W332-F410 HydrophobicContact CB-CZ 4.19Å; W332-F410 AromaticContact CD1-CE2 3.46Å; W332-F410 VanDerWaalsContact CD1-CE2 3.46Å; W332-F410 HydrophobicContact CD2-CE2 4.16Å; W332-F410 AromaticContact CG-CE2 3.71Å; W332-F410 HydrophobicContact CG-CE2 3.71Å; W332-F410 HydrophobicContact CG-CZ 4.18Å; W332-F410 AromaticContact NE1-CE2 3.79Å
333	C	97.9	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.3	176.5	-65.3	0	0	0	0	109.6	L319 L335 L345 V346	L319-C333 HydrophobicContact CD1-CB 3.87Å; C333-L335 HydrophobicContact CB-CD2 3.97Å; C333-L335 HydrophobicContact CB-CG 4.06Å; C333-L345 WeakPolarHBondContact O-CA 3.48Å; C333-V346 PolarHBondContact N-O 2.92Å; C333-V346 PolarHBondContact O-N 2.87Å
334	Q	98	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.019	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.6	160.7	-66.3	-177.2	10.3	0	0	108.3	V320 R321 W332 L343 S344 L345	V320-Q334 HydrophobicContact CG2-CB 3.73Å; V320-Q334 WeakPolarHBondContact CG2-O 3.41Å; V320-Q334 PolarHBondContact N-O 2.95Å; V320-Q334 VanDerWaalsContact N-O 3.09Å; R321-Q334 HydrophobicContact CB-CB 4.03Å; R321-Q334 HydrophobicContact CB-CG 4.08Å; R321-Q334 PolarHBondContact O-N 3.3Å; W332-Q334 HydrophobicContact CZ3-CG 4.38Å; Q334-L343 HydrophobicContact CB-CD2 4.41Å; Q334-L343 HydrophobicContact CG-CD2 4.45Å; Q334-S344 WeakPolarHBondContact CA-O 3.28Å; Q334-L345 HydrophobicContact CG-CD1 4.01Å
335	L	97.7	Very high	96.8	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.2	-178.2	-56.8	178.2	0	0	0	108.9	L309 I313 F316 L319 C333 L343 S344 V346	L309-L335 HydrophobicContact CD2-CD2 3.73Å; L309-L335 HydrophobicContact CG-CD2 4.4Å; I313-L335 HydrophobicContact CB-CD1 4.17Å; I313-L335 HydrophobicContact CD1-CD1 3.97Å; I313-L335 HydrophobicContact CG2-CD1 3.92Å; F316-L335 HydrophobicContact CB-CB 3.7Å; F316-L335 HydrophobicContact CD1-CB 3.6Å; F316-L335 VanDerWaalsContact CD1-O 3.28Å; F316-L335 WeakPolarHBondContact CD1-O 3.49Å; F316-L335 HydrophobicContact CD2-CB 3.97Å; F316-L335 HydrophobicContact CD2-CD1 4.05Å; F316-L335 HydrophobicContact CE1-CB 4.2Å; F316-L335 WeakPolarHBondContact CE1-O 3.49Å; F316-L335 HydrophobicContact CG-CB 3.46Å; F316-L335 VanDerWaalsContact CG-CB 3.46Å; F316-L335 HydrophobicContact CG-CD1 4.32Å; L319-L335 HydrophobicContact CB-CD2 4.43Å; L319-L335 HydrophobicContact CD1-CD2 3.68Å; C333-L335 HydrophobicContact CB-CD2 3.97Å; C333-L335 HydrophobicContact CB-CG 4.06Å; L335-L343 CarbonylContact O-C 3.55Å; L335-L343 WeakPolarHBondContact O-CA 2.97Å; L335-S344 PolarHBondContact N-O 3.36Å; L335-S344 PolarHBondContact O-N 3.44Å; L335-V346 HydrophobicContact CD1-CG2 4.35Å
336	I	98.1	Very high	96.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.9	-178.2	-164.5	173.3	0	0	0	111.4	F223 E317 Y318 V320 Q340 R342 L343 V402 V404	F223-I336 HydrophobicContact CE1-CG2 4.29Å; F223-I336 HydrophobicContact CZ-CG2 4.25Å; E317-I336 PolarHBondContact N-O 2.98Å; Y318-I336 HydrophobicContact CD2-CG2 3.98Å; Y318-I336 HydrophobicContact CG-CG2 4.37Å; Y318-I336 PolarHBondContact N-O 3.25Å; Y318-I336 PolarHBondContact O-N 3.37Å; Y318-I336 VanDerWaalsContact O-N 3.1Å; V320-I336 HydrophobicContact CG1-CG2 3.52Å; V320-I336 HydrophobicContact CG2-CG2 4.49Å; I336-Q340 HydrophobicContact CD1-CB 3.66Å; I336-Q340 HydrophobicContact CD1-CG 3.86Å; I336-Q340 HydrophobicContact CG1-CB 4.16Å; I336-Q340 HydrophobicContact CG1-CG 4.19Å; I336-R342 WeakPolarHBondContact CA-O 3.38Å; I336-R342 WeakPolarHBondContact CG1-O 3.33Å; I336-L343 HydrophobicContact CB-CB 4.46Å; I336-L343 HydrophobicContact CB-CD1 4.49Å; I336-L343 HydrophobicContact CD1-CB 4.42Å; I336-L343 HydrophobicContact CD1-CD1 4.35Å; I336-L343 HydrophobicContact CG1-CB 4.19Å; I336-V402 HydrophobicContact CD1-CB 4.31Å; I336-V404 HydrophobicContact CD1-CG2 3.89Å
337	T	97.7	Very high	97	Very high	26 Å²	26	23.4 Å²	23.4	16%	0.16	11%	0.11	C	C	.	.			trans	-67.8	162.4	179.3	61.5	0	0	0	0	111.6	N315 F316 L339 Q340 Q341 R342	N315-T337 WeakPolarHBondContact O-CG2 3.5Å; F316-T337 HydrophobicContact CD1-CG2 4.19Å; F316-T337 HydrophobicContact CE1-CG2 4.33Å; T337-L339 PolarHBondContact O-N 2.95Å; T337-Q340 WeakPolarHBondContact O-CA 3.31Å; T337-Q340 WeakPolarHBondContact O-CG 3.37Å; T337-Q340 PolarHBondContact O-N 3.21Å; T337-Q341 PolarHBondContact OG1-N 2.97Å; T337-R342 HydrophobicContact CG2-CB 3.81Å; T337-R342 HydrophobicContact CG2-CG 4.4Å; T337-R342 PolarHBondContact N-O 3.32Å; T337-R342 PolarHBondContact OG1-N 3.32Å
338	R	97	Very high	97.3	Very high	50 Å²	50	19.9 Å²	19.9	19%	0.189	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-46	-178.4	-177.5	163.1	179.8	155.5	3.5	113.9	T277 E317 Q340 E885	T277-R338 PolarHBondContact O-NH1 3.33Å; T277-R338 PolarHBondContact O-NH2 3.49Å; E317-R338 HydrophobicContact CB-CB 3.88Å; E317-R338 HydrophobicContact CG-CB 4.03Å; E317-R338 HydrophobicContact CG-CG 4.24Å; R338-Q340 PolarHBondContact O-N 3.15Å; R338-E885 WeakPolarHBondContact CG-OE2 3.39Å; R338-E885 IonicContact CZ-OE1 3.52Å; R338-E885 IonicContact CZ-OE2 3.94Å; R338-E885 IonicContact NE-OE1 2.99Å; R338-E885 IonicContact NE-OE2 3.23Å; R338-E885 PolarHBondContact NE-OE2 2.58Å; R338-E885 IonicContact NH2-OE1 3.23Å; R338-E885 PolarHBondContact NH2-OE1 3.17Å; R338-E885 IonicContact NH2-OE2 3.18Å
339	L	97	Very high	97.3	Very high	51 Å²	51	20.1 Å²	20.1	27%	0.267	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.6	176	-63.5	-177.5	0	0	0	113.9	T337 Q341 E885 L890	T337-L339 PolarHBondContact O-N 2.95Å; L339-Q341 VanDerWaalsContact C-N 3.29Å; L339-Q341 HydrophobicContact CB-CG 4.37Å; L339-Q341 PolarHBondContact O-N 3.01Å; L339-E885 HydrophobicContact CD2-CB 4.37Å; L339-L890 HydrophobicContact CD2-CD1 4.36Å; L339-L890 HydrophobicContact CD2-CG 3.98Å
340	Q	97.8	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	62.2	32.1	175.1	-59	168.3	60.4	0	0	114.6	F223 Y318 I336 T337 R338 W401 V402 A882	F223-Q340 HydrophobicContact CZ-CG 4.22Å; F223-Q340 VanDerWaalsContact CZ-OE1 3.25Å; Y318-Q340 HydrophobicContact CE2-CG 4.46Å; I336-Q340 HydrophobicContact CD1-CB 3.66Å; I336-Q340 HydrophobicContact CD1-CG 3.86Å; I336-Q340 HydrophobicContact CG1-CB 4.16Å; I336-Q340 HydrophobicContact CG1-CG 4.19Å; T337-Q340 WeakPolarHBondContact O-CA 3.31Å; T337-Q340 WeakPolarHBondContact O-CG 3.37Å; T337-Q340 PolarHBondContact O-N 3.21Å; R338-Q340 PolarHBondContact O-N 3.15Å; Q340-W401 CarbonylContact O-C 3.58Å; Q340-W401 WeakPolarHBondContact O-CA 3.43Å; Q340-V402 PolarHBondContact O-N 3.03Å; Q340-A882 PolarHBondContact NE2-O 3.13Å
341	Q	97.3	Very high	97.1	Very high	37 Å²	37	19.8 Å²	19.8	17%	0.173	9%	0.094	C	C	.	.	S	Bend	trans	-99.6	-6.9	178.7	-67.5	172.2	-51.8	0	0	113.1	T337 L339 V396 E397 Q398	T337-Q341 PolarHBondContact OG1-N 2.97Å; L339-Q341 VanDerWaalsContact C-N 3.29Å; L339-Q341 HydrophobicContact CB-CG 4.37Å; L339-Q341 PolarHBondContact O-N 3.01Å; Q341-V396 WeakPolarHBondContact O-CA 3.13Å; Q341-E397 WeakPolarHBondContact CB-O 3.39Å; Q341-E397 WeakPolarHBondContact CG-O 3.26Å; Q341-E397 PolarHBondContact O-N 3.44Å; Q341-Q398 PolarHBondContact NE2-O 3.03Å
342	R	97.6	Very high	96.9	Very high	74 Å²	74	19.8 Å²	19.8	28%	0.279	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125	174.7	173.9	-177.9	173.2	-172.4	1.8	109.9	F316 I336 T337 S344 E391 T394 E395 V396	F316-R342 HydrophobicContact CE1-CG 4.44Å; I336-R342 WeakPolarHBondContact CA-O 3.38Å; I336-R342 WeakPolarHBondContact CG1-O 3.33Å; T337-R342 HydrophobicContact CG2-CB 3.81Å; T337-R342 HydrophobicContact CG2-CG 4.4Å; T337-R342 PolarHBondContact N-O 3.32Å; T337-R342 PolarHBondContact OG1-N 3.32Å; R342-S344 PolarHBondContact NE-OG 3.01Å; R342-E391 IonicContact NH2-OE1 3.44Å; R342-E391 PolarHBondContact NH2-OE1 3.31Å; R342-E391 IonicContact NH2-OE2 2.69Å; R342-E391 PolarHBondContact NH2-OE2 2.98Å; R342-T394 HydrophobicContact CG-CG2 3.65Å; R342-E395 VanDerWaalsContact CA-O 3.31Å; R342-E395 WeakPolarHBondContact CA-O 3.43Å; R342-V396 HydrophobicContact CG-CG2 4.28Å
343	L	98.1	Very high	96.7	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.7	169.8	-176.9	149.6	0	0	0	109.1	V320 Q334 L335 I336 T394 E395 V402 V404 W437	V320-L343 HydrophobicContact CG2-CD1 4.2Å; Q334-L343 HydrophobicContact CB-CD2 4.41Å; Q334-L343 HydrophobicContact CG-CD2 4.45Å; L335-L343 CarbonylContact O-C 3.55Å; L335-L343 WeakPolarHBondContact O-CA 2.97Å; I336-L343 HydrophobicContact CB-CB 4.46Å; I336-L343 HydrophobicContact CB-CD1 4.49Å; I336-L343 HydrophobicContact CD1-CB 4.42Å; I336-L343 HydrophobicContact CD1-CD1 4.35Å; I336-L343 HydrophobicContact CG1-CB 4.19Å; L343-T394 CarbonylContact O-C 3.58Å; L343-T394 WeakPolarHBondContact O-CA 3.27Å; L343-E395 PolarHBondContact N-O 3.31Å; L343-E395 PolarHBondContact O-N 3.12Å; L343-V402 HydrophobicContact CB-CB 4.36Å; L343-V402 HydrophobicContact CB-CG1 3.7Å; L343-V402 HydrophobicContact CD1-CG1 4.22Å; L343-V404 HydrophobicContact CD1-CG2 3.95Å; L343-W437 HydrophobicContact CD2-CH2 3.55Å; L343-W437 HydrophobicContact CD2-CZ2 3.65Å
344	S	97.5	Very high	96.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	175.6	-70.7	0	0	0	0	110.6	F316 Q334 L335 R342 E391 T394	F316-S344 VanDerWaalsContact CZ-CB 3.49Å; F316-S344 WeakPolarHBondContact CZ-OG 2.89Å; Q334-S344 WeakPolarHBondContact CA-O 3.28Å; L335-S344 PolarHBondContact N-O 3.36Å; L335-S344 PolarHBondContact O-N 3.44Å; R342-S344 PolarHBondContact NE-OG 3.01Å; S344-E391 WeakPolarHBondContact CB-OE1 3.38Å; S344-E391 PolarHBondContact OG-OE1 2.88Å; S344-T394 PolarHBondContact OG-OG1 2.64Å
345	L	97.9	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.3	165.3	176.1	68.2	0	0	0	109.6	W332 C333 Q334 L392 V393 L408 F410 F435 W437	W332-L345 HydrophobicContact CB-CD1 4.1Å; W332-L345 HydrophobicContact CD2-CD1 4.48Å; W332-L345 HydrophobicContact CE3-CD1 3.95Å; C333-L345 WeakPolarHBondContact O-CA 3.48Å; Q334-L345 HydrophobicContact CG-CD1 4.01Å; L345-L392 HydrophobicContact CD2-CB 4.37Å; L345-L392 HydrophobicContact CD2-CD1 3.82Å; L345-L392 HydrophobicContact CG-CD1 4.19Å; L345-L392 PolarHBondContact O-N 3.22Å; L345-V393 HydrophobicContact CB-CG1 4.34Å; L345-V393 PolarHBondContact N-O 3.25Å; L345-L408 HydrophobicContact CD1-CD2 3.91Å; L345-L408 HydrophobicContact CD2-CD1 4.11Å; L345-L408 HydrophobicContact CD2-CD2 4.06Å; L345-F410 HydrophobicContact CD2-CZ 3.99Å; L345-F435 HydrophobicContact CD2-CE2 4.39Å; L345-W437 HydrophobicContact CB-CE3 4.39Å; L345-W437 HydrophobicContact CB-CH2 3.69Å; L345-W437 HydrophobicContact CB-CZ3 3.25Å; L345-W437 HydrophobicContact CD2-CE3 3.77Å; L345-W437 HydrophobicContact CD2-CZ3 3.41Å; L345-W437 VanDerWaalsContact CD2-CZ3 3.41Å; L345-W437 HydrophobicContact CG-CZ3 3.89Å
346	V	97.7	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132	-175.9	-175.6	0	0	0	0	109.6	I313 W332 C333 L335 I348 C389 I390 L476	I313-V346 HydrophobicContact CD1-CG1 3.95Å; W332-V346 CarbonylContact C-O 3.57Å; W332-V346 WeakPolarHBondContact CA-O 3.41Å; C333-V346 PolarHBondContact N-O 2.92Å; C333-V346 PolarHBondContact O-N 2.87Å; L335-V346 HydrophobicContact CD1-CG2 4.35Å; V346-I348 HydrophobicContact CG1-CG1 4.46Å; V346-C389 HydrophobicContact CG1-CB 3.94Å; V346-I390 CarbonylContact C-O 3.56Å; V346-I390 WeakPolarHBondContact CA-O 3.39Å; V346-L476 HydrophobicContact CG1-CD1 3.87Å; V346-L476 HydrophobicContact CG2-CD1 4.47Å
347	L	97.8	Very high	94.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.5	164.8	-56.3	-175	0	0	0	109.5	T325 Y330 V331 W332 C389 I390 L392 F410 W454	T325-L347 HydrophobicContact CG2-CD2 3.95Å; Y330-L347 HydrophobicContact CD1-CB 3.82Å; Y330-L347 HydrophobicContact CD1-CD1 4.34Å; Y330-L347 HydrophobicContact CD2-CD1 4.39Å; Y330-L347 HydrophobicContact CG-CB 4.12Å; Y330-L347 HydrophobicContact CG-CD1 4.14Å; V331-L347 CarbonylContact O-C 3.59Å; V331-L347 WeakPolarHBondContact O-CA 2.92Å; W332-L347 HydrophobicContact CB-CD2 3.6Å; L347-C389 CarbonylContact O-C 3.53Å; L347-C389 WeakPolarHBondContact O-CA 3.49Å; L347-I390 HydrophobicContact CB-CB 4.16Å; L347-I390 PolarHBondContact N-O 3.21Å; L347-I390 PolarHBondContact O-N 3.48Å; L347-L392 HydrophobicContact CD1-CD1 3.9Å; L347-L392 HydrophobicContact CD1-CD2 3.94Å; L347-L392 HydrophobicContact CD1-CG 4.12Å; L347-L392 HydrophobicContact CD2-CD1 3.81Å; L347-L392 HydrophobicContact CG-CD1 3.68Å; L347-L392 HydrophobicContact CG-CD2 4.24Å; L347-L392 HydrophobicContact CG-CG 3.88Å; L347-F410 HydrophobicContact CD2-CE1 4.39Å; L347-F410 HydrophobicContact CD2-CZ 4.11Å; L347-W454 HydrophobicContact CD1-CH2 3.67Å; L347-W454 HydrophobicContact CD1-CZ2 3.87Å; L347-W454 HydrophobicContact CD1-CZ3 4.48Å
348	I	96.8	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.6	173.1	-53.6	177.7	0	0	0	107.1	L305 L309 Y312 I313 Y330 V331 V346 N352 F353	L305-I348 HydrophobicContact CD1-CD1 4.46Å; L305-I348 HydrophobicContact CD2-CG2 3.97Å; L309-I348 HydrophobicContact CD1-CD1 4.02Å; Y312-I348 HydrophobicContact CE1-CG2 4.48Å; I313-I348 HydrophobicContact CD1-CD1 4.03Å; I313-I348 HydrophobicContact CD1-CG1 4.24Å; Y330-I348 WeakPolarHBondContact CA-O 3.34Å; V331-I348 HydrophobicContact CB-CB 4.41Å; V331-I348 PolarHBondContact N-O 3.44Å; V331-I348 PolarHBondContact O-N 3.43Å; V346-I348 HydrophobicContact CG1-CG1 4.46Å; I348-N352 HydrophobicContact CG2-CB 4.2Å; I348-F353 HydrophobicContact CB-CE2 4.31Å; I348-F353 HydrophobicContact CG2-CD2 4.5Å; I348-F353 HydrophobicContact CG2-CE2 3.65Å; I348-F353 HydrophobicContact CG2-CZ 4.08Å
349	P	95.8	Very high	91.5	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.045	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	137.8	172.7	-24.8	31	0	0	0	112.2	Y330 D351 N352 P388	Y330-P349 HydrophobicContact CD1-CB 4.34Å; Y330-P349 HydrophobicContact CD1-CG 4.2Å; Y330-P349 HydrophobicContact CE1-CB 4.21Å; Y330-P349 HydrophobicContact CE1-CG 3.94Å; P349-D351 WeakPolarHBondContact CB-OD1 3.49Å; P349-D351 PolarHBondContact O-N 3.5Å; P349-N352 VanDerWaalsContact O-CB 3.32Å; P349-N352 WeakPolarHBondContact O-CB 3.07Å; P349-N352 PolarHBondContact O-N 2.84Å; P349-P388 VanDerWaalsContact CG-O 3.25Å; P349-P388 WeakPolarHBondContact CG-O 3.38Å
350	V	94.4	Very high	89.5	Confident	30 Å²	30	31.8 Å²	31.8	18%	0.182	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.6	-28.4	-177	172.1	0	0	0	0	112.8	I286 W324 N329 N352 F353	I286-V350 HydrophobicContact CD1-CG1 4.25Å; W324-V350 HydrophobicContact CE3-CG2 4.38Å; W324-V350 HydrophobicContact CH2-CG2 4.31Å; W324-V350 HydrophobicContact CZ3-CG2 3.53Å; N329-V350 VanDerWaalsContact O-CG2 3.24Å; N329-V350 WeakPolarHBondContact O-CG2 3.41Å; N329-V350 PolarHBondContact O-N 2.92Å; V350-N352 PolarHBondContact O-N 3.13Å; V350-F353 PolarHBondContact O-N 3.32Å; V350-F353 VanDerWaalsContact O-N 3.12Å
351	D	92.1	Very high	87.3	Confident	87 Å²	87	37.4 Å²	37.4	47%	0.465	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-67.8	-12.2	174.8	60.5	-34.2	0	0	0	113.7	P349 F353 S387	P349-D351 WeakPolarHBondContact CB-OD1 3.49Å; P349-D351 PolarHBondContact O-N 3.5Å; D351-F353 PolarHBondContact O-N 3.18Å; D351-S387 WeakPolarHBondContact OD2-CB 3.32Å; D351-S387 PolarHBondContact OD2-OG 3.35Å
352	N	93.2	Very high	84.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-76.1	-12.5	170.9	-69.3	-7.3	0	0	0	113.3	L305 Y312 I348 P349 V350 T386 S387	L305-N352 HydrophobicContact CD2-CB 4.31Å; Y312-N352 PolarHBondContact OH-ND2 3.12Å; I348-N352 HydrophobicContact CG2-CB 4.2Å; P349-N352 VanDerWaalsContact O-CB 3.32Å; P349-N352 WeakPolarHBondContact O-CB 3.07Å; P349-N352 PolarHBondContact O-N 2.84Å; V350-N352 PolarHBondContact O-N 3.13Å; N352-T386 WeakPolarHBondContact OD1-CB 3.48Å; N352-S387 PolarHBondContact ND2-O 3.45Å; N352-S387 PolarHBondContact OD1-N 3.03Å; N352-S387 PolarHBondContact OD1-O 2.74Å; N352-S387 VanDerWaalsContact OD1-O 3.13Å
353	F	94.3	Very high	82.2	Confident	8 Å²	8	40 Å²	40	4%	0.035	23%	0.23	C	C	.	.			trans	-91.2	107.8	174.7	-63.1	-98.3	0	0	0	109.3	L244 V284 I286 L303 A304 L305 V331 I348 V350 D351	L244-F353 HydrophobicContact CD1-CE1 4.46Å; L244-F353 HydrophobicContact CD1-CZ 4.39Å; V284-F353 HydrophobicContact CB-CE1 4.47Å; V284-F353 HydrophobicContact CG1-CE1 4.12Å; V284-F353 HydrophobicContact CG1-CZ 4.34Å; I286-F353 HydrophobicContact CD1-CB 3.91Å; I286-F353 HydrophobicContact CD1-CD1 3.89Å; I286-F353 HydrophobicContact CD1-CD2 3.57Å; I286-F353 HydrophobicContact CD1-CE1 4.27Å; I286-F353 HydrophobicContact CD1-CE2 3.98Å; I286-F353 HydrophobicContact CD1-CG 3.51Å; I286-F353 HydrophobicContact CD1-CZ 4.31Å; I286-F353 HydrophobicContact CG1-CD1 3.97Å; I286-F353 HydrophobicContact CG1-CD2 4.5Å; I286-F353 HydrophobicContact CG1-CE1 4.23Å; I286-F353 HydrophobicContact CG1-CG 4.11Å; L303-F353 HydrophobicContact CB-CB 3.71Å; L303-F353 HydrophobicContact CD1-CB 4.49Å; A304-F353 CarbonylContact O-C 3.57Å; A304-F353 WeakPolarHBondContact O-CA 3.38Å; L305-F353 HydrophobicContact CD1-CE1 4.37Å; L305-F353 HydrophobicContact CD2-CD1 3.93Å; L305-F353 HydrophobicContact CD2-CD2 4.23Å; L305-F353 HydrophobicContact CD2-CE1 3.76Å; L305-F353 HydrophobicContact CD2-CE2 4.08Å; L305-F353 HydrophobicContact CD2-CG 4.17Å; L305-F353 HydrophobicContact CD2-CZ 3.85Å; L305-F353 HydrophobicContact CG-CD1 4.06Å; L305-F353 HydrophobicContact CG-CE1 3.76Å; L305-F353 HydrophobicContact CG-CZ 4.23Å; V331-F353 HydrophobicContact CB-CE2 4.23Å; V331-F353 HydrophobicContact CB-CZ 4.25Å; V331-F353 HydrophobicContact CG1-CZ 4.47Å; V331-F353 HydrophobicContact CG2-CE2 3.92Å; V331-F353 HydrophobicContact CG2-CZ 4.01Å; I348-F353 HydrophobicContact CB-CE2 4.31Å; I348-F353 HydrophobicContact CG2-CD2 4.5Å; I348-F353 HydrophobicContact CG2-CE2 3.65Å; I348-F353 HydrophobicContact CG2-CZ 4.08Å; V350-F353 PolarHBondContact O-N 3.32Å; V350-F353 VanDerWaalsContact O-N 3.12Å; D351-F353 PolarHBondContact O-N 3.18Å
354	L	92.6	Very high	79.5	Confident	21 Å²	21	44 Å²	44	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	149.5	-175.4	-56.6	176.8	0	0	0	110.8	L303 A304 R306 I356 D358 V359	L303-L354 CarbonylContact C-O 3.48Å; L303-L354 WeakPolarHBondContact CA-O 3.47Å; A304-L354 PolarHBondContact N-O 2.79Å; A304-L354 PolarHBondContact O-N 3.08Å; R306-L354 HydrophobicContact CG-CD1 4.13Å; L354-I356 PolarHBondContact O-N 3.13Å; L354-D358 HydrophobicContact CB-CB 4.42Å; L354-V359 HydrophobicContact CB-CG2 4.18Å
355	P	91	Very high	76.7	Confident	38 Å²	38	49 Å²	49	25%	0.247	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	137.7	169.9	-23.5	33.8	0	0	0	111	L303 P357 D358	L303-P355 HydrophobicContact CD2-CB 4.3Å; L303-P355 HydrophobicContact CD2-CG 3.92Å; P355-P357 VanDerWaalsContact C-N 3.29Å; P355-P357 VanDerWaalsContact O-N 3.09Å; P355-D358 WeakPolarHBondContact O-CA 3.5Å; P355-D358 WeakPolarHBondContact O-CB 3.33Å; P355-D358 PolarHBondContact O-N 3.49Å
356	I	84	Confident	73.9	Confident	52 Å²	52	53.7 Å²	53.7	27%	0.267	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-45.4	-43.2	-177.5	-70.8	173.2	0	0	0	114.4	T302 L354 D358 V359 H362	T302-I356 HydrophobicContact CG2-CD1 3.73Å; T302-I356 HydrophobicContact CG2-CG1 4.28Å; T302-I356 PolarHBondContact O-N 3.38Å; L354-I356 PolarHBondContact O-N 3.13Å; I356-D358 PolarHBondContact O-N 3.33Å; I356-D358 VanDerWaalsContact O-N 3.16Å; I356-V359 WeakPolarHBondContact O-CB 3.34Å; I356-V359 PolarHBondContact O-N 3.3Å; I356-H362 HydrophobicContact CG2-CB 4.45Å
357	P	74.6	Confident	70.9	Confident	120 Å²	120	58 Å²	58	78%	0.779	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-59.7	-24.7	178.1	-25.2	35.9	0	0	0	114.7	P355	P355-P357 VanDerWaalsContact C-N 3.29Å; P355-P357 VanDerWaalsContact O-N 3.09Å
358	D	70.4	Confident	67.6	Low	76 Å²	76	63.5 Å²	63.5	41%	0.406	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-93.1	-0.9	-178.5	-54.7	-36.2	0	0	0	112.1	L354 P355 I356	L354-D358 HydrophobicContact CB-CB 4.42Å; P355-D358 WeakPolarHBondContact O-CA 3.5Å; P355-D358 WeakPolarHBondContact O-CB 3.33Å; P355-D358 PolarHBondContact O-N 3.49Å; I356-D358 PolarHBondContact O-N 3.33Å; I356-D358 VanDerWaalsContact O-N 3.16Å
359	V	64	Low	64.3	Low	16 Å²	16	68.3 Å²	68.3	10%	0.097	42%	0.419	C	S	.	.	S	Bend	trans	-87.9	109.2	178	177.4	0	0	0	0	109.9	A304 L354 I356 N361 H362	A304-V359 HydrophobicContact CB-CG2 4.28Å; L354-V359 HydrophobicContact CB-CG2 4.18Å; I356-V359 WeakPolarHBondContact O-CB 3.34Å; I356-V359 PolarHBondContact O-N 3.3Å; V359-N361 PolarHBondContact O-N 2.69Å; V359-H362 HydrophobicContact CG1-CB 4.45Å
360	V	54.4	Low	61.3	Low	97 Å²	97	76.3 Å²	76.3	59%	0.588	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	124.8	173.7	-176.2	0	0	0	0	109.3
361	N	52.3	Low	58.3	Low	118 Å²	118	79.6 Å²	79.6	63%	0.631	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	23	-178.6	-57.4	-39.5	0	0	0	118.2	V359 P363 Q472	V359-N361 PolarHBondContact O-N 2.69Å; N361-P363 WeakPolarHBondContact O-CD 3.24Å; N361-Q472 PolarHBondContact ND2-NE2 2.7Å
362	H	46	Very low	55.3	Low	65 Å²	65	82 Å²	82	30%	0.301	51%	0.505	S	S	.	.			trans	-65.2	118.1	167.5	-152.4	-64.7	0	0	0	109.7	K285 I356 V359 D364	K285-H362 PolarHBondContact NZ-NE2 3.48Å; I356-H362 HydrophobicContact CG2-CB 4.45Å; V359-H362 HydrophobicContact CG1-CB 4.45Å; H362-D364 PolarHBondContact O-N 3.03Å
363	P	40.6	Very low	52.5	Low	101 Å²	101	86.2 Å²	86.2	66%	0.656	54%	0.54	S	S	*	.			trans	-77.1	93.8	173.6	29.7	-26.8	0	0	0	106.9	N361 P365	N361-P363 WeakPolarHBondContact O-CD 3.24Å; P363-P365 VanDerWaalsContact O-CD 3.32Å; P363-P365 WeakPolarHBondContact O-CD 3.5Å
364	D	41.2	Very low	49.3	Very low	86 Å²	86	92.9 Å²	92.9	46%	0.46	58%	0.581	S	S	.	*			trans	-84.8	113	169.7	-164	-17.2	0	0	0	108.9	H362 S366	H362-D364 PolarHBondContact O-N 3.03Å; D364-S366 PolarHBondContact O-N 2.98Å; D364-S366 WeakPolarHBondContact OD1-CB 3.38Å; D364-S366 PolarHBondContact OD1-N 2.9Å; D364-S366 PolarHBondContact OD1-OG 3.33Å
365	P	39.5	Very low	46.4	Very low	107 Å²	107	97 Å²	97	70%	0.695	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-0.8	177.9	-11.4	28.8	0	0	0	113.2	P363	P363-P365 VanDerWaalsContact O-CD 3.32Å; P363-P365 WeakPolarHBondContact O-CD 3.5Å
366	S	39.7	Very low	43.4	Very low	97 Å²	97	101.9 Å²	101.9	68%	0.678	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-3.2	-170	71.1	0	0	0	0	116	D364	D364-S366 PolarHBondContact O-N 2.98Å; D364-S366 WeakPolarHBondContact OD1-CB 3.38Å; D364-S366 PolarHBondContact OD1-N 2.9Å; D364-S366 PolarHBondContact OD1-OG 3.33Å
367	S	34.5	Very low	40.8	Very low	92 Å²	92	107.3 Å²	107.3	64%	0.643	67%	0.67	S	S	*	*			trans	-109.2	64.4	-175.8	70.4	0	0	0	0	113.8
368	S	27.9	Very low	38.5	Very low	115 Å²	115	107.2 Å²	107.2	80%	0.804	67%	0.668	S	S	*	*			trans	-108.9	56.3	170.1	71	0	0	0	0	112
369	S	27.7	Very low	36.4	Very low	102 Å²	102	110.7 Å²	110.7	71%	0.713	69%	0.686	S	S	*	*			trans	-178.8	112.1	158.4	53.9	0	0	0	0	109.5
370	L	33.6	Very low	34.7	Very low	175 Å²	175	119.1 Å²	119.1	92%	0.916	72%	0.722	S	S	*	*			trans	-177.5	128.7	137.3	-91.8	145.7	0	0	0	110.1
371	S	30.3	Very low	33.5	Very low	98 Å²	98	120.5 Å²	120.5	69%	0.685	74%	0.736	S	S	*	*			trans	-64.8	158.3	-173.4	43.3	0	0	0	0	115.4	A373	S371-A373 PolarHBondContact O-N 2.89Å
372	P	29.2	Very low	32.5	Very low	139 Å²	139	117.8 Å²	117.8	90%	0.903	73%	0.726	S	S	*	*			trans	-78.7	116.1	-179.4	31.9	-30.2	0	0	0	110.2
373	A	34	Very low	32.5	Very low	88 Å²	88	118.5 Å²	118.5	73%	0.727	74%	0.738	S	S	*	*			trans	-122.6	109.9	167.4	0	0	0	0	0	109.8	S371 S375	S371-A373 PolarHBondContact O-N 2.89Å; A373-S375 PolarHBondContact O-N 2.91Å
374	T	28.4	Very low	33	Very low	147 Å²	147	119 Å²	119	90%	0.902	73%	0.73	S	S	*	*			trans	-27.3	119.4	162	35.5	0	0	0	0	114.9
375	S	31.1	Very low	33.8	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	74%	0.741	S	S	*	*			trans	-147.6	132.3	144.3	60.4	0	0	0	0	109.7	A373 L377	A373-S375 PolarHBondContact O-N 2.91Å; S375-L377 PolarHBondContact O-N 3.37Å
376	T	28.1	Very low	35.4	Very low	140 Å²	140	118.8 Å²	118.8	86%	0.859	72%	0.717	S	S	*	*			trans	-67.8	110.9	-178.3	44.2	0	0	0	0	111.1
377	L	30.3	Very low	37.6	Very low	166 Å²	166	115.1 Å²	115.1	87%	0.869	69%	0.692	S	S	*	*			trans	-135.6	112.6	159.4	-84	168.4	0	0	0	108.9	S375	S375-L377 PolarHBondContact O-N 3.37Å
378	T	26.4	Very low	40.4	Very low	118 Å²	118	111.7 Å²	111.7	72%	0.724	67%	0.667	S	S	*	*			trans	-63.9	138.7	171.7	44.2	0	0	0	0	111.5
379	D	25	Very low	43.6	Very low	148 Å²	148	106.2 Å²	106.2	79%	0.791	63%	0.629	S	S	*	*			trans	52.9	83.8	153.9	-57.7	-20.4	0	0	0	119.1
380	F	28.7	Very low	46.8	Very low	194 Å²	194	101.5 Å²	101.5	85%	0.851	60%	0.596	S	S	*	*			trans	-137.3	70.7	152.5	-85.4	-82.7	0	0	0	110.4	S382	F380-S382 PolarHBondContact O-N 2.02Å
381	S	28.2	Very low	49.8	Very low	125 Å²	125	93.4 Å²	93.4	87%	0.874	55%	0.553	S	S	*	*			trans	-82.6	62.3	155.2	65.8	0	0	0	0	108.8	S383	S381-S383 PolarHBondContact O-N 2.92Å
382	S	32.6	Very low	53	Low	62 Å²	62	88.8 Å²	88.8	43%	0.434	52%	0.521	S	S	.	.			trans	-81.9	98.6	167.1	56.4	0	0	0	0	107.1	F380 F384	F380-S382 PolarHBondContact O-N 2.02Å; S382-F384 VanDerWaalsContact C-N 3.29Å; S382-F384 PolarHBondContact O-N 2.83Å
383	S	44.7	Very low	56.1	Low	79 Å²	79	82.3 Å²	82.3	55%	0.552	48%	0.479	S	S	*	.			trans	-52.5	100.7	159.3	55.3	0	0	0	0	106.6	S381 F385	S381-S383 PolarHBondContact O-N 2.92Å; S383-F385 WeakPolarHBondContact O-CD2 3.19Å; S383-F385 PolarHBondContact O-N 2.81Å; S383-F385 WeakPolarHBondContact OG-CE2 3.32Å
384	F	51.8	Low	59.1	Low	112 Å²	112	80 Å²	80	49%	0.491	46%	0.455	S	S	.	.			trans	-57.6	113	172.8	-73.8	-84	0	0	0	105.5	R306 S382 T386	R306-F384 PolarHBondContact NH2-O 3.12Å; S382-F384 VanDerWaalsContact C-N 3.29Å; S382-F384 PolarHBondContact O-N 2.83Å; F384-T386 PolarHBondContact O-N 3.16Å
385	F	58.6	Low	62.3	Low	158 Å²	158	73.4 Å²	73.4	69%	0.693	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-75.2	118.9	174.7	-84.2	-89.9	0	0	0	106.7	S383	S383-F385 WeakPolarHBondContact O-CD2 3.19Å; S383-F385 PolarHBondContact O-N 2.81Å; S383-F385 WeakPolarHBondContact OG-CE2 3.32Å
386	T	72	Confident	65.4	Low	30 Å²	30	71.9 Å²	71.9	18%	0.184	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-82.1	136.8	166.9	41.9	0	0	0	0	109.2	N352 F384	N352-T386 WeakPolarHBondContact OD1-CB 3.48Å; F384-T386 PolarHBondContact O-N 3.16Å
387	S	87.7	Confident	68.6	Low	21 Å²	21	67 Å²	67	15%	0.147	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-65.8	143.7	168.9	-74.8	0	0	0	0	110.1	D351 N352 C389	D351-S387 WeakPolarHBondContact OD2-CB 3.32Å; D351-S387 PolarHBondContact OD2-OG 3.35Å; N352-S387 PolarHBondContact ND2-O 3.45Å; N352-S387 PolarHBondContact OD1-N 3.03Å; N352-S387 PolarHBondContact OD1-O 2.74Å; N352-S387 VanDerWaalsContact OD1-O 3.13Å; S387-C389 PolarHBondContact O-N 3.01Å
388	P	91.8	Very high	71.6	Confident	20 Å²	20	65 Å²	65	13%	0.13	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64.3	137.4	178.3	25.5	-33	0	0	0	111.1	P349 T475 I477	P349-P388 VanDerWaalsContact CG-O 3.25Å; P349-P388 WeakPolarHBondContact CG-O 3.38Å; P388-T475 CarbonylContact C-O 3.6Å; P388-T475 WeakPolarHBondContact CA-O 3.44Å; P388-T475 HydrophobicContact CB-CG2 4.29Å; P388-I477 HydrophobicContact CB-CD1 3.4Å; P388-I477 VanDerWaalsContact CB-CD1 3.4Å; P388-I477 HydrophobicContact CB-CG1 3.69Å; P388-I477 HydrophobicContact CG-CD1 3.4Å; P388-I477 VanDerWaalsContact CG-CD1 3.4Å; P388-I477 HydrophobicContact CG-CG1 4.25Å
389	C	94.7	Very high	74.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.4	165.7	-66	0	0	0	0	109.5	V346 L347 S387 A474 T475 L476 I477	V346-C389 HydrophobicContact CG1-CB 3.94Å; L347-C389 CarbonylContact O-C 3.53Å; L347-C389 WeakPolarHBondContact O-CA 3.49Å; S387-C389 PolarHBondContact O-N 3.01Å; C389-A474 HydrophobicContact CB-CB 4.5Å; C389-T475 PolarHBondContact N-O 3.02Å; C389-L476 HydrophobicContact CB-CD1 3.85Å; C389-L476 WeakPolarHBondContact O-CA 3.46Å; C389-I477 PolarHBondContact O-N 2.92Å
390	I	96.8	Very high	78.1	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.2	-174	-47.2	-59.9	0	0	0	109.8	V346 L347 L392 W454 I477 A479	V346-I390 CarbonylContact C-O 3.56Å; V346-I390 WeakPolarHBondContact CA-O 3.39Å; L347-I390 HydrophobicContact CB-CB 4.16Å; L347-I390 PolarHBondContact N-O 3.21Å; L347-I390 PolarHBondContact O-N 3.48Å; I390-L392 HydrophobicContact CG2-CD2 4.07Å; I390-L392 PolarHBondContact O-N 3.1Å; I390-W454 HydrophobicContact CD1-CB 4.23Å; I390-W454 VanDerWaalsContact CD1-CD1 3.5Å; I390-W454 HydrophobicContact CD1-CD2 4.47Å; I390-W454 HydrophobicContact CD1-CG 3.83Å; I390-W454 HydrophobicContact CG1-CD2 4.18Å; I390-W454 HydrophobicContact CG1-CG 4.06Å; I390-W454 HydrophobicContact CG2-CB 4.28Å; I390-W454 HydrophobicContact CG2-CD2 3.74Å; I390-W454 HydrophobicContact CG2-CE3 3.84Å; I390-W454 HydrophobicContact CG2-CG 3.95Å; I390-W454 HydrophobicContact CG2-CZ3 4.44Å; I390-I477 CarbonylContact C-O 3.5Å; I390-I477 WeakPolarHBondContact CA-O 3.39Å; I390-I477 HydrophobicContact CD1-CB 4.13Å; I390-A479 HydrophobicContact CG2-CB 3.74Å
391	E	96.4	Very high	81.4	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	109.1	169.6	-169.6	168.8	-95.9	0	0	108.4	R342 S344 T394 L476 I477 Q478 A479	R342-E391 IonicContact NH2-OE1 3.44Å; R342-E391 PolarHBondContact NH2-OE1 3.31Å; R342-E391 IonicContact NH2-OE2 2.69Å; R342-E391 PolarHBondContact NH2-OE2 2.98Å; S344-E391 WeakPolarHBondContact CB-OE1 3.38Å; S344-E391 PolarHBondContact OG-OE1 2.88Å; E391-T394 WeakPolarHBondContact CG-OG1 3.49Å; E391-T394 PolarHBondContact OE1-OG1 3.02Å; E391-T394 PolarHBondContact OE2-OG1 2.94Å; E391-L476 HydrophobicContact CB-CD1 4.05Å; E391-L476 HydrophobicContact CB-CD2 4.23Å; E391-L476 HydrophobicContact CB-CG 4.18Å; E391-I477 PolarHBondContact N-O 3.08Å; E391-Q478 VanDerWaalsContact CD-NE2 3.32Å; E391-Q478 VanDerWaalsContact OE2-CD 3.3Å; E391-Q478 PolarHBondContact OE2-NE2 2.88Å; E391-Q478 PolarHBondContact OE2-OE1 3.5Å; E391-Q478 VanDerWaalsContact OE2-OE1 3.1Å; E391-A479 WeakPolarHBondContact O-CB 3.33Å; E391-A479 PolarHBondContact O-N 3.01Å
392	L	96.8	Very high	84.7	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-45.6	-175.9	-68.3	178.7	0	0	0	112.1	L345 L347 I390 F410 F435 C452 W454 A479	L345-L392 HydrophobicContact CD2-CB 4.37Å; L345-L392 HydrophobicContact CD2-CD1 3.82Å; L345-L392 HydrophobicContact CG-CD1 4.19Å; L345-L392 PolarHBondContact O-N 3.22Å; L347-L392 HydrophobicContact CD1-CD1 3.9Å; L347-L392 HydrophobicContact CD1-CD2 3.94Å; L347-L392 HydrophobicContact CD1-CG 4.12Å; L347-L392 HydrophobicContact CD2-CD1 3.81Å; L347-L392 HydrophobicContact CG-CD1 3.68Å; L347-L392 HydrophobicContact CG-CD2 4.24Å; L347-L392 HydrophobicContact CG-CG 3.88Å; I390-L392 HydrophobicContact CG2-CD2 4.07Å; I390-L392 PolarHBondContact O-N 3.1Å; L392-F410 HydrophobicContact CD1-CE1 3.77Å; L392-F410 HydrophobicContact CD1-CZ 4.07Å; L392-F435 HydrophobicContact CB-CE1 4.17Å; L392-F435 HydrophobicContact CB-CZ 4.12Å; L392-F435 HydrophobicContact CD1-CD1 4.38Å; L392-F435 HydrophobicContact CD1-CE1 3.95Å; L392-F435 HydrophobicContact CD1-CZ 4.46Å; L392-C452 HydrophobicContact CD2-CB 4.01Å; L392-C452 PolarHBondContact O-SG 2.86Å; L392-C452 VanDerWaalsContact O-SG 3.37Å; L392-W454 HydrophobicContact CD2-CE3 4.16Å; L392-W454 HydrophobicContact CD2-CH2 4.08Å; L392-W454 HydrophobicContact CD2-CZ3 3.53Å; L392-A479 HydrophobicContact CD2-CB 4.08Å
393	V	95.3	Very high	87.6	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	148.2	179.8	62.3	0	0	0	0	109.3	L345 F435 W437 I450	L345-V393 HydrophobicContact CB-CG1 4.34Å; L345-V393 PolarHBondContact N-O 3.25Å; V393-F435 HydrophobicContact CG1-CE2 4.13Å; V393-F435 HydrophobicContact CG1-CZ 4.1Å; V393-W437 HydrophobicContact CB-CZ3 4.49Å; V393-W437 HydrophobicContact CG1-CD2 4.11Å; V393-W437 HydrophobicContact CG1-CE3 3.39Å; V393-W437 HydrophobicContact CG1-CH2 3.53Å; V393-W437 HydrophobicContact CG1-CZ2 4.27Å; V393-W437 HydrophobicContact CG1-CZ3 2.99Å; V393-I450 HydrophobicContact CG2-CD1 4.49Å
394	T	95.5	Very high	90	Very high	39 Å²	39	41.5 Å²	41.5	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126	178.5	-62.4	0	0	0	0	108.4	R342 L343 S344 E391 V396	R342-T394 HydrophobicContact CG-CG2 3.65Å; L343-T394 CarbonylContact O-C 3.58Å; L343-T394 WeakPolarHBondContact O-CA 3.27Å; S344-T394 PolarHBondContact OG-OG1 2.64Å; E391-T394 WeakPolarHBondContact CG-OG1 3.49Å; E391-T394 PolarHBondContact OE1-OG1 3.02Å; E391-T394 PolarHBondContact OE2-OG1 2.94Å; T394-V396 HydrophobicContact CG2-CG2 3.8Å
395	E	95.7	Very high	91.9	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.8	172.9	-172.8	154.4	-156.8	0	0	108.6	R342 L343 V402 S439 H440	R342-E395 VanDerWaalsContact CA-O 3.31Å; R342-E395 WeakPolarHBondContact CA-O 3.43Å; L343-E395 PolarHBondContact N-O 3.31Å; L343-E395 PolarHBondContact O-N 3.12Å; E395-V402 HydrophobicContact CB-CG1 4.34Å; E395-V402 HydrophobicContact CG-CG1 4.09Å; E395-V402 HydrophobicContact CG-CG2 4.31Å; E395-S439 VanDerWaalsContact CD-OG 3.25Å; E395-S439 WeakPolarHBondContact OE1-CA 3.38Å; E395-S439 WeakPolarHBondContact OE1-CB 3.46Å; E395-S439 PolarHBondContact OE1-OG 2.91Å; E395-H440 IonicContact OE1-CE1 2.71Å; E395-H440 PolarHBondContact OE1-CE1 3.46Å; E395-H440 IonicContact OE1-CG 3.8Å; E395-H440 PolarHBondContact OE1-N 3.41Å; E395-H440 IonicContact OE1-ND1 2.89Å; E395-H440 PolarHBondContact OE1-ND1 3.06Å; E395-H440 IonicContact OE1-NE2 3.99Å
396	V	96.8	Very high	93.5	Very high	77 Å²	77	33.3 Å²	33.3	47%	0.467	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.6	-175.8	-176.4	0	0	0	0	108.7	Q341 R342 T394 Q398	Q341-V396 WeakPolarHBondContact O-CA 3.13Å; R342-V396 HydrophobicContact CG-CG2 4.28Å; T394-V396 HydrophobicContact CG2-CG2 3.8Å; V396-Q398 HydrophobicContact CG1-CG 3.84Å
397	E	95.9	Very high	94.6	Very high	37 Å²	37	32.3 Å²	32.3	17%	0.173	17%	0.165	C	C	.	.			trans	-129.1	88.8	174.5	-179.9	45.8	-95.6	0	0	108.6	Q341 K399 F400 W401 V402 I804	Q341-E397 WeakPolarHBondContact CB-O 3.39Å; Q341-E397 WeakPolarHBondContact CG-O 3.26Å; Q341-E397 PolarHBondContact O-N 3.44Å; E397-K399 WeakPolarHBondContact OE1-CA 3Å; E397-K399 VanDerWaalsContact OE1-CB 3.27Å; E397-K399 WeakPolarHBondContact OE1-CB 3.16Å; E397-K399 PolarHBondContact OE1-N 2.73Å; E397-F400 HydrophobicContact CG-CB 3.96Å; E397-F400 HydrophobicContact CG-CD2 4.49Å; E397-F400 PolarHBondContact OE1-N 2.97Å; E397-W401 WeakPolarHBondContact CG-O 3.48Å; E397-V402 HydrophobicContact CB-CG2 4.07Å; E397-I804 HydrophobicContact CG-CG1 4.33Å
398	Q	92	Very high	95	Very high	124 Å²	124	32.5 Å²	32.5	58%	0.579	16%	0.164	S	C	*	.	S	Bend	trans	-72.7	-29.7	-175.9	-67.1	-61.6	-34.9	0	0	112.4	Q341 V396	Q341-Q398 PolarHBondContact NE2-O 3.03Å; V396-Q398 HydrophobicContact CG1-CG 3.84Å
399	K	94.1	Very high	95.2	Very high	136 Å²	136	33.4 Å²	33.4	59%	0.591	17%	0.169	S	C	*	.	S	Bend	trans	-76.7	-36.2	-175.7	-171	-179	173.7	-170.9	0	111.2	E397	E397-K399 WeakPolarHBondContact OE1-CA 3Å; E397-K399 VanDerWaalsContact OE1-CB 3.27Å; E397-K399 WeakPolarHBondContact OE1-CB 3.16Å; E397-K399 PolarHBondContact OE1-N 2.73Å
400	F	95.1	Very high	95.3	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.044	17%	0.174	C	C	.	.	S	Bend	trans	-125.2	-103.7	-173.2	-52.2	-58.2	0	0	0	112.5	E397 I804 N805 G808 K811	E397-F400 HydrophobicContact CG-CB 3.96Å; E397-F400 HydrophobicContact CG-CD2 4.49Å; E397-F400 PolarHBondContact OE1-N 2.97Å; F400-I804 HydrophobicContact CB-CD1 4.24Å; F400-I804 HydrophobicContact CB-CG1 4.13Å; F400-I804 HydrophobicContact CD2-CG1 3.82Å; F400-I804 HydrophobicContact CD2-CG2 4.46Å; F400-I804 HydrophobicContact CG-CG1 4.37Å; F400-N805 WeakPolarHBondContact CE2-OD1 3.22Å; F400-G808 WeakPolarHBondContact CD1-O 3.37Å; F400-G808 VanDerWaalsContact CE1-C 3.46Å; F400-G808 WeakPolarHBondContact CE1-O 3.37Å; F400-K811 HydrophobicContact CD1-CB 4Å; F400-K811 PolarHBondContact O-NZ 2.48Å
401	W	96.7	Very high	95.2	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	18%	0.176	C	C	.	.			trans	-160.6	159.7	177.8	56.3	85.3	0	0	0	109.3	Q340 E397 I804 D807 I810 K811 R886 Y887	Q340-W401 CarbonylContact O-C 3.58Å; Q340-W401 WeakPolarHBondContact O-CA 3.43Å; E397-W401 WeakPolarHBondContact CG-O 3.48Å; W401-I804 HydrophobicContact CZ2-CD1 4.46Å; W401-D807 WeakPolarHBondContact CH2-O 3.43Å; W401-D807 HydrophobicContact CZ2-CB 4.1Å; W401-I810 HydrophobicContact CH2-CD1 4.28Å; W401-I810 HydrophobicContact CH2-CG1 3.99Å; W401-K811 HydrophobicContact CE3-CD 3.95Å; W401-K811 HydrophobicContact CZ3-CB 4.12Å; W401-K811 HydrophobicContact CZ3-CD 4.03Å; W401-R886 HydrophobicContact CB-CG 3.72Å; W401-R886 HydrophobicContact CD2-CG 4.04Å; W401-R886 HydrophobicContact CE3-CG 4.47Å; W401-R886 HydrophobicContact CG-CG 3.67Å; W401-Y887 HydrophobicContact CD2-CD1 4.27Å; W401-Y887 HydrophobicContact CD2-CE1 4.2Å; W401-Y887 AromaticContact CE2-CE1 3.81Å; W401-Y887 AromaticContact CE3-CD1 3.98Å; W401-Y887 HydrophobicContact CE3-CD1 3.98Å; W401-Y887 HydrophobicContact CE3-CE1 4.37Å; W401-Y887 AromaticContact CH2-CD1 3.62Å; W401-Y887 HydrophobicContact CH2-CD1 3.62Å; W401-Y887 AromaticContact CH2-CE1 3.83Å; W401-Y887 HydrophobicContact CH2-CE1 3.83Å; W401-Y887 AromaticContact CZ2-CD1 3.93Å; W401-Y887 HydrophobicContact CZ2-CD1 3.93Å; W401-Y887 AromaticContact CZ2-CE1 3.63Å; W401-Y887 HydrophobicContact CZ2-CE1 3.63Å; W401-Y887 AromaticContact CZ3-CD1 3.65Å; W401-Y887 HydrophobicContact CZ3-CD1 3.65Å; W401-Y887 HydrophobicContact CZ3-CE1 4.2Å
402	V	97.2	Very high	94.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-83.4	125.5	174.3	175.6	0	0	0	0	109.6	I336 Q340 L343 E395 E397 V404	I336-V402 HydrophobicContact CD1-CB 4.31Å; Q340-V402 PolarHBondContact O-N 3.03Å; L343-V402 HydrophobicContact CB-CB 4.36Å; L343-V402 HydrophobicContact CB-CG1 3.7Å; L343-V402 HydrophobicContact CD1-CG1 4.22Å; E395-V402 HydrophobicContact CB-CG1 4.34Å; E395-V402 HydrophobicContact CG-CG1 4.09Å; E395-V402 HydrophobicContact CG-CG2 4.31Å; E397-V402 HydrophobicContact CB-CG2 4.07Å; V402-V404 PolarHBondContact O-N 3.32Å
403	K	94.6	Very high	93.9	Very high	36 Å²	36	49.7 Å²	49.7	16%	0.157	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-74.9	116.1	172.1	-68.7	173	70.3	160.6	0	109.6	H405 E493 I804 D807	K403-H405 PolarHBondContact O-CD2 3.26Å; K403-E493 VanDerWaalsContact NZ-CD 3.27Å; K403-E493 IonicContact NZ-OE1 2.87Å; K403-E493 PolarHBondContact NZ-OE1 3.28Å; K403-E493 IonicContact NZ-OE2 2.83Å; K403-E493 PolarHBondContact NZ-OE2 3.31Å; K403-I804 HydrophobicContact CD-CD1 4.03Å; K403-I804 HydrophobicContact CG-CD1 4.1Å; K403-D807 IonicContact NZ-OD2 2.61Å; K403-D807 PolarHBondContact NZ-OD2 3.4Å
404	V	94.7	Very high	93	Very high	39 Å²	39	52 Å²	52	24%	0.236	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-82	138.2	174.3	-178	0	0	0	0	109.6	F223 V320 I336 L343 V402	F223-V404 HydrophobicContact CD1-CB 4.34Å; F223-V404 HydrophobicContact CD1-CG2 3.95Å; F223-V404 HydrophobicContact CE1-CG2 3.99Å; V320-V404 HydrophobicContact CB-CG1 4.09Å; V320-V404 HydrophobicContact CG2-CG1 3.92Å; V320-V404 HydrophobicContact CG2-CG2 4.37Å; I336-V404 HydrophobicContact CD1-CG2 3.89Å; L343-V404 HydrophobicContact CD1-CG2 3.95Å; V402-V404 PolarHBondContact O-N 3.32Å
405	H	92.5	Very high	92.1	Very high	21 Å²	21	52.6 Å²	52.6	10%	0.097	25%	0.25	C	C	.	.			trans	-150.7	168.2	-180	53.6	64.4	0	0	0	111.7	K403 F407 W437 A438	K403-H405 PolarHBondContact O-CD2 3.26Å; H405-F407 HydrophobicContact CB-CD2 3.74Å; H405-F407 HydrophobicContact CB-CE2 4.01Å; H405-F407 HydrophobicContact CB-CG 4.31Å; H405-F407 AromaticContact CG-CD2 3.7Å; H405-F407 AromaticContact ND1-CD2 3.91Å; H405-F407 PolarHBondContact ND1-N 3.07Å; H405-W437 AromaticContact CE1-NE1 3.9Å; H405-A438 PolarHBondContact CE1-O 2.83Å; H405-A438 PolarHBondContact NE2-O 3.28Å
406	D	92	Very high	90.8	Very high	77 Å²	77	55.2 Å²	55.2	41%	0.412	26%	0.26	S	S	.	.	S	Bend	trans	-90.5	2.6	179.6	-70.1	-66	0	0	0	114.3	R321 L408 N497	R321-D406 IonicContact CZ-OD1 2.83Å; R321-D406 IonicContact CZ-OD2 3.8Å; R321-D406 IonicContact NE-OD1 3.81Å; R321-D406 PolarHBondContact NE-OD1 3.02Å; R321-D406 IonicContact NE-OD2 3.4Å; R321-D406 IonicContact NH2-OD1 3.52Å; R321-D406 PolarHBondContact NH2-OD1 2.94Å; R321-D406 IonicContact NH2-OD2 3.81Å; R321-D406 PolarHBondContact NH2-OD2 2.99Å; D406-L408 VanDerWaalsContact C-N 3.29Å; D406-L408 PolarHBondContact O-N 2.88Å; D406-N497 VanDerWaalsContact CB-O 3.29Å; D406-N497 WeakPolarHBondContact CB-O 3.5Å
407	F	94.7	Very high	89.1	Confident	10 Å²	10	54.7 Å²	54.7	4%	0.044	26%	0.258	C	S	.	.			trans	-77.5	69.1	-176.9	-47.1	-41.9	0	0	0	113.5	H405 W437 A438 T445 V494 T495 G496 I499	H405-F407 HydrophobicContact CB-CD2 3.74Å; H405-F407 HydrophobicContact CB-CE2 4.01Å; H405-F407 HydrophobicContact CB-CG 4.31Å; H405-F407 AromaticContact CG-CD2 3.7Å; H405-F407 AromaticContact ND1-CD2 3.91Å; H405-F407 PolarHBondContact ND1-N 3.07Å; F407-W437 WeakPolarHBondContact O-CA 3.39Å; F407-A438 HydrophobicContact CB-CB 3.47Å; F407-A438 VanDerWaalsContact CB-CB 3.47Å; F407-A438 HydrophobicContact CD2-CB 3.45Å; F407-A438 VanDerWaalsContact CD2-CB 3.45Å; F407-A438 HydrophobicContact CG-CB 3.9Å; F407-A438 PolarHBondContact O-N 2.97Å; F407-A438 VanDerWaalsContact O-N 3.13Å; F407-T445 HydrophobicContact CD2-CG2 4.41Å; F407-T445 HydrophobicContact CE2-CG2 4.44Å; F407-V494 HydrophobicContact CE2-CG1 4.4Å; F407-T495 VanDerWaalsContact CZ-C 3.46Å; F407-G496 WeakPolarHBondContact CE1-O 3.48Å; F407-G496 WeakPolarHBondContact CZ-O 3.34Å; F407-I499 HydrophobicContact CB-CG2 4.21Å; F407-I499 HydrophobicContact CD1-CG2 3.76Å; F407-I499 HydrophobicContact CE1-CG2 4.49Å; F407-I499 HydrophobicContact CG-CG2 4.17Å
408	L	96	Very high	87.1	Confident	24 Å²	24	54.8 Å²	54.8	13%	0.126	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.7	173	175.8	62.6	0	0	0	110.1	W332 L345 D406 F410 F435 I436 W437	W332-L408 HydrophobicContact CD2-CD2 4.39Å; W332-L408 HydrophobicContact CE3-CD2 4.12Å; W332-L408 HydrophobicContact CH2-CD2 4.41Å; W332-L408 HydrophobicContact CZ3-CD2 4.13Å; L345-L408 HydrophobicContact CD1-CD2 3.91Å; L345-L408 HydrophobicContact CD2-CD1 4.11Å; L345-L408 HydrophobicContact CD2-CD2 4.06Å; D406-L408 VanDerWaalsContact C-N 3.29Å; D406-L408 PolarHBondContact O-N 2.88Å; L408-F410 HydrophobicContact CD1-CE2 4.35Å; L408-F410 HydrophobicContact CD2-CE2 3.93Å; L408-F410 HydrophobicContact CG-CE2 4.2Å; L408-F435 HydrophobicContact CD1-CB 4.3Å; L408-F435 HydrophobicContact CD1-CD2 3.85Å; L408-F435 HydrophobicContact CD1-CG 4.37Å; L408-I436 WeakPolarHBondContact CA-O 3.44Å; L408-W437 HydrophobicContact CD1-CE3 4.13Å
409	T	96.2	Very high	85.1	Confident	40 Å²	40	53.4 Å²	53.4	25%	0.245	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	117.7	173	-56.6	0	0	0	0	110.3	F435 I436 V501	T409-F435 CarbonylContact O-C 3.49Å; T409-F435 WeakPolarHBondContact O-CA 3.36Å; T409-F435 WeakPolarHBondContact O-CB 3.03Å; T409-I436 PolarHBondContact N-O 3.23Å; T409-I436 PolarHBondContact O-N 3.2Å; T409-V501 HydrophobicContact CG2-CB 4.13Å; T409-V501 HydrophobicContact CG2-CG2 3.76Å
410	F	96.2	Very high	82.9	Confident	20 Å²	20	53.2 Å²	53.2	9%	0.088	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.5	170.1	-69.8	-87	0	0	0	110	T325 P326 W332 L345 L347 L392 L408 F435	T325-F410 HydrophobicContact CG2-CE1 4.43Å; P326-F410 HydrophobicContact CG-CB 3.77Å; W332-F410 HydrophobicContact CB-CE2 4.22Å; W332-F410 HydrophobicContact CB-CZ 4.19Å; W332-F410 AromaticContact CD1-CE2 3.46Å; W332-F410 VanDerWaalsContact CD1-CE2 3.46Å; W332-F410 HydrophobicContact CD2-CE2 4.16Å; W332-F410 AromaticContact CG-CE2 3.71Å; W332-F410 HydrophobicContact CG-CE2 3.71Å; W332-F410 HydrophobicContact CG-CZ 4.18Å; W332-F410 AromaticContact NE1-CE2 3.79Å; L345-F410 HydrophobicContact CD2-CZ 3.99Å; L347-F410 HydrophobicContact CD2-CE1 4.39Å; L347-F410 HydrophobicContact CD2-CZ 4.11Å; L392-F410 HydrophobicContact CD1-CE1 3.77Å; L392-F410 HydrophobicContact CD1-CZ 4.07Å; L408-F410 HydrophobicContact CD1-CE2 4.35Å; L408-F410 HydrophobicContact CD2-CE2 3.93Å; L408-F410 HydrophobicContact CG-CE2 4.2Å; F410-F435 HydrophobicContact CD1-CB 3.81Å; F410-F435 HydrophobicContact CD1-CD1 4.34Å; F410-F435 HydrophobicContact CD1-CG 4.36Å; F410-F435 HydrophobicContact CE1-CB 4.21Å; F410-F435 HydrophobicContact CE1-CD1 4.13Å; F410-F435 HydrophobicContact CE1-CG 4.29Å; F410-F435 HydrophobicContact CG-CB 4.22Å
411	L	94.3	Very high	80.8	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.068	28%	0.282	C	S	.	.			trans	-76.9	151.6	173.6	-55.9	-172	0	0	0	110.2	Y413 W415 T434 I436 L449 V501 E503 Y527	L411-Y413 VanDerWaalsContact C-N 3.27Å; L411-Y413 PolarHBondContact O-N 3.43Å; L411-W415 HydrophobicContact CD1-CE3 4.22Å; L411-T434 HydrophobicContact CD1-CG2 3.71Å; L411-T434 HydrophobicContact CG-CG2 4.3Å; L411-T434 PolarHBondContact N-O 3.11Å; L411-I436 HydrophobicContact CD2-CD1 4.28Å; L411-L449 HydrophobicContact CD1-CD1 4.12Å; L411-V501 HydrophobicContact CD2-CG1 3.98Å; L411-E503 HydrophobicContact CD2-CG 4.29Å; L411-Y527 HydrophobicContact CD1-CE2 4.13Å
412	K	87.1	Confident	78.1	Confident	140 Å²	140	57.6 Å²	57.6	61%	0.609	29%	0.29	S	S	*	.	S	Bend	trans	-65	-33.1	-179.2	-71.9	170.9	-171.1	169.5	0	112.8	E503	K412-E503 WeakPolarHBondContact CD-OE1 3.44Å; K412-E503 WeakPolarHBondContact CE-OE1 3.33Å; K412-E503 WeakPolarHBondContact CG-OE1 3.44Å; K412-E503 PolarHBondContact N-OE2 3.5Å; K412-E503 IonicContact NZ-OE1 2.7Å
413	Y	78.7	Confident	75.6	Confident	178 Å²	178	67.3 Å²	67.3	70%	0.698	33%	0.332	S	S	*	.	S	Bend	trans	-129.1	146.8	-179.2	-57.4	-72.1	0	0	0	110.5	L411 W415	L411-Y413 VanDerWaalsContact C-N 3.27Å; L411-Y413 PolarHBondContact O-N 3.43Å; Y413-W415 PolarHBondContact O-N 2.86Å
414	P	76.9	Confident	73.2	Confident	52 Å²	52	69.3 Å²	69.3	34%	0.338	35%	0.351	S	S	.	.			trans	-54.2	132.5	168.9	-23.8	33.8	0	0	0	109.8	Y416 S432	P414-Y416 WeakPolarHBondContact CB-O 3.33Å; P414-Y416 PolarHBondContact O-N 3.28Å; P414-S432 WeakPolarHBondContact CG-OG 3.49Å
415	W	76.4	Confident	70.3	Confident	51 Å²	51	72.4 Å²	72.4	19%	0.193	37%	0.374	C	S	.	.	S	Bend	trans	-62.3	-36.5	-177.5	-177.6	-105.2	0	0	0	112.3	L411 Y413 T434 F483 K506 Y527 E528	L411-W415 HydrophobicContact CD1-CE3 4.22Å; Y413-W415 PolarHBondContact O-N 2.86Å; W415-T434 HydrophobicContact CB-CG2 3.81Å; W415-T434 PolarHBondContact N-OG1 2.77Å; W415-F483 HydrophobicContact CB-CZ 4.45Å; W415-F483 AromaticContact CD1-CZ 3.93Å; W415-F483 HydrophobicContact CG-CZ 4.45Å; W415-K506 HydrophobicContact CH2-CB 4.13Å; W415-K506 HydrophobicContact CH2-CD 3.52Å; W415-K506 HydrophobicContact CH2-CG 3.71Å; W415-K506 HydrophobicContact CZ2-CD 4.5Å; W415-K506 HydrophobicContact CZ3-CD 4.1Å; W415-K506 HydrophobicContact CZ3-CG 3.91Å; W415-Y527 HydrophobicContact CE3-CD2 4.1Å; W415-Y527 AromaticContact CE3-CE2 3.95Å; W415-Y527 HydrophobicContact CE3-CE2 3.95Å; W415-Y527 AromaticContact CH2-CD2 3.56Å; W415-Y527 HydrophobicContact CH2-CD2 3.56Å; W415-Y527 AromaticContact CH2-CE2 3.78Å; W415-Y527 HydrophobicContact CH2-CE2 3.78Å; W415-Y527 WeakPolarHBondContact CH2-O 3.44Å; W415-Y527 HydrophobicContact CZ2-CD2 4.32Å; W415-Y527 WeakPolarHBondContact CZ2-O 3.23Å; W415-Y527 AromaticContact CZ3-CD2 3.48Å; W415-Y527 HydrophobicContact CZ3-CD2 3.48Å; W415-Y527 VanDerWaalsContact CZ3-CD2 3.48Å; W415-Y527 AromaticContact CZ3-CE2 3.27Å; W415-Y527 HydrophobicContact CZ3-CE2 3.27Å; W415-E528 WeakPolarHBondContact CZ2-O 3.4Å
416	Y	69.2	Low	67.9	Low	62 Å²	62	78.3 Å²	78.3	24%	0.243	41%	0.407	C	S	.	.	S	Bend	trans	-111	133.7	163.1	-72.3	-90.2	0	0	0	110.8	P414 T418 Q451 F483 R530	P414-Y416 WeakPolarHBondContact CB-O 3.33Å; P414-Y416 PolarHBondContact O-N 3.28Å; Y416-T418 PolarHBondContact O-N 3.27Å; Y416-Q451 PolarHBondContact O-NE2 3.36Å; Y416-F483 AromaticContact CD2-CE1 3.85Å; Y416-F483 HydrophobicContact CD2-CE1 3.85Å; Y416-F483 HydrophobicContact CE2-CE1 4.15Å; Y416-R530 VanDerWaalsContact CZ-NE 3.34Å; Y416-R530 WeakPolarHBondContact OH-CD 3.33Å; Y416-R530 PolarHBondContact OH-NE 3.33Å; Y416-R530 VanDerWaalsContact OH-NE 3.08Å
417	P	60.9	Low	65.6	Low	66 Å²	66	80.6 Å²	80.6	43%	0.429	41%	0.411	S	S	.	.			trans	-60.1	129.4	161.9	-17	30	0	0	0	109.5	S419 E420	P417-S419 WeakPolarHBondContact CB-OG 3.32Å; P417-S419 PolarHBondContact O-N 2.95Å; P417-S419 VanDerWaalsContact O-N 3.07Å; P417-E420 PolarHBondContact O-N 3.19Å; P417-E420 VanDerWaalsContact O-N 3.1Å
418	T	54.6	Low	63.4	Low	39 Å²	39	86.7 Å²	86.7	24%	0.239	45%	0.449	C	S	.	.	H	α-helix	trans	-57.5	-22.9	175.9	39.3	0	0	0	0	112.7	Y416 E420 I421 N422	Y416-T418 PolarHBondContact O-N 3.27Å; T418-E420 VanDerWaalsContact C-N 3.33Å; T418-E420 PolarHBondContact O-N 2.91Å; T418-I421 PolarHBondContact O-N 2.99Å; T418-N422 PolarHBondContact O-ND2 2.76Å
419	S	48.6	Very low	61.8	Low	95 Å²	95	90.1 Å²	90.1	66%	0.664	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-28	176	54.1	0	0	0	0	114.5	P417	P417-S419 WeakPolarHBondContact CB-OG 3.32Å; P417-S419 PolarHBondContact O-N 2.95Å; P417-S419 VanDerWaalsContact O-N 3.07Å
420	E	48.8	Very low	60.8	Low	132 Å²	132	90 Å²	90	62%	0.617	46%	0.464	S	S	*	.	H	α-helix	trans	-86.2	-22.9	-179.4	-69.1	-166.8	159.9	0	0	113.5	P417 T418 N422	P417-E420 PolarHBondContact O-N 3.19Å; P417-E420 VanDerWaalsContact O-N 3.1Å; T418-E420 VanDerWaalsContact C-N 3.33Å; T418-E420 PolarHBondContact O-N 2.91Å; E420-N422 VanDerWaalsContact C-N 3.32Å
421	I	50.7	Low	60.4	Low	71 Å²	71	91.8 Å²	91.8	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-75.9	-26.4	178.6	-62.1	167.8	0	0	0	110.5	T418 K423 I482	T418-I421 PolarHBondContact O-N 2.99Å; I421-K423 PolarHBondContact O-N 3.29Å; I421-I482 HydrophobicContact CD1-CD1 4.08Å; I421-I482 HydrophobicContact CD1-CG2 3.71Å
422	N	40.1	Very low	60.2	Low	42 Å²	42	92.4 Å²	92.4	23%	0.225	48%	0.48	C	S	.	.			trans	-100.1	52.2	-173	-65.1	-27.7	0	0	0	113.4	T418 E420 S424 Y427	T418-N422 PolarHBondContact O-ND2 2.76Å; E420-N422 VanDerWaalsContact C-N 3.32Å; N422-S424 PolarHBondContact O-N 2.92Å; N422-Y427 VanDerWaalsContact ND2-CB 3.3Å; N422-Y427 WeakPolarHBondContact ND2-CB 3.42Å; N422-Y427 PolarHBondContact ND2-O 3.15Å
423	K	45.3	Very low	60.5	Low	205 Å²	205	86.6 Å²	86.6	89%	0.891	46%	0.457	S	S	*	.			trans	-71.7	-8	164.4	-76.4	-174.2	179.9	174.8	0	113.2	I421	I421-K423 PolarHBondContact O-N 3.29Å
424	S	42.9	Very low	61.3	Low	79 Å²	79	78.2 Å²	78.2	55%	0.552	42%	0.424	S	S	*	.	S	Bend	trans	-98.1	120.7	162.1	57.1	0	0	0	0	109.5	N422 D426	N422-S424 PolarHBondContact O-N 2.92Å; S424-D426 PolarHBondContact O-N 3.37Å
425	S	35	Very low	62.3	Low	103 Å²	103	75.7 Å²	75.7	72%	0.72	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39	120.9	173.1	47.6	0	0	0	0	113.7
426	D	42.2	Very low	63.2	Low	146 Å²	146	73.3 Å²	73.3	78%	0.781	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	153.1	-3.8	142.8	-76.7	-11.8	0	0	0	115.3	S424	S424-D426 PolarHBondContact O-N 3.37Å
427	Y	42.7	Very low	64.5	Low	125 Å²	125	70.4 Å²	70.4	49%	0.49	39%	0.387	S	S	.	.			trans	-121.8	59.3	-169.4	-63	-82.1	0	0	0	115.8	N422 N429 E430	N422-Y427 VanDerWaalsContact ND2-CB 3.3Å; N422-Y427 WeakPolarHBondContact ND2-CB 3.42Å; N422-Y427 PolarHBondContact ND2-O 3.15Å; Y427-N429 VanDerWaalsContact C-N 3.3Å; Y427-N429 PolarHBondContact O-N 2.83Å; Y427-E430 WeakPolarHBondContact CD1-OE1 3.3Å
428	T	49.1	Very low	66.2	Low	137 Å²	137	67.2 Å²	67.2	84%	0.84	37%	0.367	S	S	*	.	S	Bend	trans	-83.6	2.7	175	45.4	0	0	0	0	114.9
429	N	61.5	Low	68.1	Low	97 Å²	97	65.4 Å²	65.4	52%	0.519	36%	0.355	S	S	.	.			trans	-126.5	40.8	-168.1	-78.5	-12.4	0	0	0	113.5	Y427 T456	Y427-N429 VanDerWaalsContact C-N 3.3Å; Y427-N429 PolarHBondContact O-N 2.83Å; N429-T456 WeakPolarHBondContact CB-OG1 3.28Å; N429-T456 WeakPolarHBondContact O-CB 3.32Å; N429-T456 WeakPolarHBondContact O-CG2 3.24Å; N429-T456 PolarHBondContact O-N 2.96Å; N429-T456 PolarHBondContact O-OG1 2.8Å
430	E	74.9	Confident	70.3	Confident	36 Å²	36	61 Å²	61	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	176.8	-68.8	-169.8	178.4	0	0	112.7	Y427 S453 W454	Y427-E430 WeakPolarHBondContact CD1-OE1 3.3Å; E430-S453 WeakPolarHBondContact OE2-CB 3.4Å; E430-S453 PolarHBondContact OE2-OG 3.49Å; E430-W454 CarbonylContact C-O 3.58Å; E430-W454 WeakPolarHBondContact CA-O 3.48Å
431	N	87.7	Confident	72.5	Confident	59 Å²	59	59.8 Å²	59.8	32%	0.316	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	152.9	163.3	-74.5	-28.4	0	0	0	109.2	Y330 S453 W454 T456	Y330-N431 PolarHBondContact OH-ND2 2.97Å; N431-S453 CarbonylContact O-C 3.57Å; N431-S453 WeakPolarHBondContact O-CA 3.23Å; N431-S453 VanDerWaalsContact O-CB 3.3Å; N431-S453 WeakPolarHBondContact O-CB 3.38Å; N431-W454 HydrophobicContact CB-CD2 4.12Å; N431-W454 HydrophobicContact CB-CG 4.31Å; N431-W454 HydrophobicContact CB-CZ2 3.94Å; N431-W454 PolarHBondContact N-O 3.28Å; N431-W454 PolarHBondContact O-N 2.85Å; N431-T456 WeakPolarHBondContact OD1-CG2 3.44Å
432	S	91.3	Very high	74.4	Confident	25 Å²	25	59.2 Å²	59.2	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155	174.8	66.5	0	0	0	0	111.9	P414 C452	P414-S432 WeakPolarHBondContact CG-OG 3.49Å; S432-C452 WeakPolarHBondContact CA-O 3.42Å; S432-C452 VanDerWaalsContact CB-O 3.22Å; S432-C452 WeakPolarHBondContact CB-O 3.49Å
433	C	93.8	Very high	77	Confident	19 Å²	19	57.6 Å²	57.6	13%	0.128	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.7	169.4	68.9	0	0	0	0	110.7	Q451 C452 W454	C433-Q451 WeakPolarHBondContact O-CA 3.29Å; C433-C452 PolarHBondContact N-O 2.83Å; C433-C452 PolarHBondContact O-N 3.21Å; C433-W454 HydrophobicContact CB-CH2 3.97Å; C433-W454 HydrophobicContact CB-CZ3 4.37Å
434	T	95.4	Very high	79.3	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.5	170.2	-54.3	0	0	0	0	109.7	L411 W415 L449 I450 Q451	L411-T434 HydrophobicContact CD1-CG2 3.71Å; L411-T434 HydrophobicContact CG-CG2 4.3Å; L411-T434 PolarHBondContact N-O 3.11Å; W415-T434 HydrophobicContact CB-CG2 3.81Å; W415-T434 PolarHBondContact N-OG1 2.77Å; T434-L449 HydrophobicContact CG2-CD1 3.61Å; T434-L449 HydrophobicContact CG2-CG 4.14Å; T434-I450 CarbonylContact C-O 3.57Å; T434-I450 VanDerWaalsContact CA-O 3.32Å; T434-I450 WeakPolarHBondContact CA-O 3.35Å; T434-I450 WeakPolarHBondContact CG2-O 3.2Å; T434-Q451 HydrophobicContact CG2-CB 4.33Å; T434-Q451 WeakPolarHBondContact OG1-CG 3.44Å; T434-Q451 PolarHBondContact OG1-OE1 2.87Å
435	F	96.8	Very high	81.9	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.1	178.7	57	-85.5	0	0	0	111.3	L345 L392 V393 L408 T409 F410 W437 I450	L345-F435 HydrophobicContact CD2-CE2 4.39Å; L392-F435 HydrophobicContact CB-CE1 4.17Å; L392-F435 HydrophobicContact CB-CZ 4.12Å; L392-F435 HydrophobicContact CD1-CD1 4.38Å; L392-F435 HydrophobicContact CD1-CE1 3.95Å; L392-F435 HydrophobicContact CD1-CZ 4.46Å; V393-F435 HydrophobicContact CG1-CE2 4.13Å; V393-F435 HydrophobicContact CG1-CZ 4.1Å; L408-F435 HydrophobicContact CD1-CB 4.3Å; L408-F435 HydrophobicContact CD1-CD2 3.85Å; L408-F435 HydrophobicContact CD1-CG 4.37Å; T409-F435 CarbonylContact O-C 3.49Å; T409-F435 WeakPolarHBondContact O-CA 3.36Å; T409-F435 WeakPolarHBondContact O-CB 3.03Å; F410-F435 HydrophobicContact CD1-CB 3.81Å; F410-F435 HydrophobicContact CD1-CD1 4.34Å; F410-F435 HydrophobicContact CD1-CG 4.36Å; F410-F435 HydrophobicContact CE1-CB 4.21Å; F410-F435 HydrophobicContact CE1-CD1 4.13Å; F410-F435 HydrophobicContact CE1-CG 4.29Å; F410-F435 HydrophobicContact CG-CB 4.22Å; F435-W437 HydrophobicContact CD2-CB 4Å; F435-W437 HydrophobicContact CD2-CE3 4.34Å; F435-W437 HydrophobicContact CE2-CB 4.05Å; F435-W437 AromaticContact CE2-CE3 3.8Å; F435-W437 HydrophobicContact CE2-CE3 3.8Å; F435-I450 HydrophobicContact CD2-CB 4.35Å; F435-I450 HydrophobicContact CE1-CB 4.21Å; F435-I450 HydrophobicContact CE1-CG2 4.11Å; F435-I450 HydrophobicContact CE2-CB 3.84Å; F435-I450 HydrophobicContact CE2-CD1 3.95Å; F435-I450 HydrophobicContact CE2-CG1 4.31Å; F435-I450 HydrophobicContact CE2-CG2 4.24Å; F435-I450 HydrophobicContact CZ-CB 3.76Å; F435-I450 HydrophobicContact CZ-CD1 4.33Å; F435-I450 HydrophobicContact CZ-CG2 3.68Å; F435-I450 PolarHBondContact N-O 3.28Å; F435-I450 PolarHBondContact O-N 2.7Å
436	I	96.4	Very high	84.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.4	168.9	-64.5	155.6	0	0	0	108	L408 T409 L411 L447 Y448 L449 L487 I499 V501 V508 Y527	L408-I436 WeakPolarHBondContact CA-O 3.44Å; T409-I436 PolarHBondContact N-O 3.23Å; T409-I436 PolarHBondContact O-N 3.2Å; L411-I436 HydrophobicContact CD2-CD1 4.28Å; I436-L447 HydrophobicContact CG2-CD2 4.29Å; I436-Y448 WeakPolarHBondContact CA-O 3.4Å; I436-L449 HydrophobicContact CG1-CD1 3.73Å; I436-L487 HydrophobicContact CG1-CD1 4.46Å; I436-L487 HydrophobicContact CG2-CD1 4.45Å; I436-I499 HydrophobicContact CB-CD1 4.26Å; I436-I499 HydrophobicContact CG2-CD1 3.65Å; I436-V501 HydrophobicContact CD1-CG1 3.95Å; I436-V501 HydrophobicContact CD1-CG2 3.7Å; I436-V508 HydrophobicContact CD1-CG2 3.44Å; I436-V508 VanDerWaalsContact CD1-CG2 3.44Å; I436-V508 HydrophobicContact CG1-CG2 4.47Å; I436-Y527 HydrophobicContact CD1-CD1 4.43Å; I436-Y527 HydrophobicContact CD1-CE1 4.38Å
437	W	95.9	Very high	87.4	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.8	-177	176.3	-61.8	0	0	0	109.9	L343 L345 V393 H405 F407 L408 F435 Y448 I450	L343-W437 HydrophobicContact CD2-CH2 3.55Å; L343-W437 HydrophobicContact CD2-CZ2 3.65Å; L345-W437 HydrophobicContact CB-CE3 4.39Å; L345-W437 HydrophobicContact CB-CH2 3.69Å; L345-W437 HydrophobicContact CB-CZ3 3.25Å; L345-W437 HydrophobicContact CD2-CE3 3.77Å; L345-W437 HydrophobicContact CD2-CZ3 3.41Å; L345-W437 VanDerWaalsContact CD2-CZ3 3.41Å; L345-W437 HydrophobicContact CG-CZ3 3.89Å; V393-W437 HydrophobicContact CB-CZ3 4.49Å; V393-W437 HydrophobicContact CG1-CD2 4.11Å; V393-W437 HydrophobicContact CG1-CE3 3.39Å; V393-W437 HydrophobicContact CG1-CH2 3.53Å; V393-W437 HydrophobicContact CG1-CZ2 4.27Å; V393-W437 HydrophobicContact CG1-CZ3 2.99Å; H405-W437 AromaticContact CE1-NE1 3.9Å; F407-W437 WeakPolarHBondContact O-CA 3.39Å; L408-W437 HydrophobicContact CD1-CE3 4.13Å; F435-W437 HydrophobicContact CD2-CB 4Å; F435-W437 HydrophobicContact CD2-CE3 4.34Å; F435-W437 HydrophobicContact CE2-CB 4.05Å; F435-W437 AromaticContact CE2-CE3 3.8Å; F435-W437 HydrophobicContact CE2-CE3 3.8Å; W437-Y448 PolarHBondContact N-O 2.71Å; W437-Y448 PolarHBondContact O-N 2.82Å; W437-I450 HydrophobicContact CB-CD1 4.38Å
438	A	96.3	Very high	89.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.9	169.5	0	0	0	0	0	113.1	H405 F407 T445 H446 L447	H405-A438 PolarHBondContact CE1-O 2.83Å; H405-A438 PolarHBondContact NE2-O 3.28Å; F407-A438 HydrophobicContact CB-CB 3.47Å; F407-A438 VanDerWaalsContact CB-CB 3.47Å; F407-A438 HydrophobicContact CD2-CB 3.45Å; F407-A438 VanDerWaalsContact CD2-CB 3.45Å; F407-A438 HydrophobicContact CG-CB 3.9Å; F407-A438 PolarHBondContact O-N 2.97Å; F407-A438 VanDerWaalsContact O-N 3.13Å; A438-T445 HydrophobicContact CB-CG2 3.79Å; A438-H446 CarbonylContact C-O 3.6Å; A438-H446 WeakPolarHBondContact CA-O 3.21Å; A438-L447 HydrophobicContact CB-CD2 3.95Å
439	S	95.8	Very high	92.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.2	178.7	171.6	0	0	0	0	109.3	E395 R441 T445 H446	E395-S439 VanDerWaalsContact CD-OG 3.25Å; E395-S439 WeakPolarHBondContact OE1-CA 3.38Å; E395-S439 WeakPolarHBondContact OE1-CB 3.46Å; E395-S439 PolarHBondContact OE1-OG 2.91Å; S439-R441 VanDerWaalsContact C-N 3.32Å; S439-R441 WeakPolarHBondContact OG-CB 3.04Å; S439-R441 PolarHBondContact OG-N 2.77Å; S439-R441 PolarHBondContact OG-NE 3.22Å; S439-T445 WeakPolarHBondContact O-CA 3.24Å; S439-H446 PolarHBondContact N-O 2.9Å; S439-H446 PolarHBondContact O-N 3.01Å
440	H	95	Very high	93.7	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.019	9%	0.088	C	C	.	.			trans	-97.1	18.2	176.2	64.5	-78	0	0	0	112.5	E395 S442 G443 F444	E395-H440 IonicContact OE1-CE1 2.71Å; E395-H440 PolarHBondContact OE1-CE1 3.46Å; E395-H440 IonicContact OE1-CG 3.8Å; E395-H440 PolarHBondContact OE1-N 3.41Å; E395-H440 IonicContact OE1-ND1 2.89Å; E395-H440 PolarHBondContact OE1-ND1 3.06Å; E395-H440 IonicContact OE1-NE2 3.99Å; H440-S442 PolarHBondContact O-N 2.92Å; H440-G443 WeakPolarHBondContact O-CA 3.22Å; H440-G443 PolarHBondContact O-N 2.99Å; H440-F444 WeakPolarHBondContact CA-O 3.36Å
441	R	92.9	Very high	94.7	Very high	106 Å²	106	14.7 Å²	14.7	40%	0.4	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.8	-179	67.5	-177.4	66	-169	-1.7	115.2	S439 G443 Y448	S439-R441 VanDerWaalsContact C-N 3.32Å; S439-R441 WeakPolarHBondContact OG-CB 3.04Å; S439-R441 PolarHBondContact OG-N 2.77Å; S439-R441 PolarHBondContact OG-NE 3.22Å; R441-G443 VanDerWaalsContact C-N 3.32Å; R441-Y448 HydrophobicContact CG-CE1 4.36Å; R441-Y448 HydrophobicContact CG-CE2 4.11Å; R441-Y448 VanDerWaalsContact CG-OH 3.26Å; R441-Y448 WeakPolarHBondContact CG-OH 3.41Å
442	S	92.3	Very high	95	Very high	58 Å²	58	11.9 Å²	11.9	41%	0.406	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3.8	173.5	62.8	0	0	0	0	113.4	H440 F444 H446	H440-S442 PolarHBondContact O-N 2.92Å; S442-F444 PolarHBondContact OG-O 3.06Å; S442-H446 PolarHBondContact OG-CD2 2.87Å
443	G	93.5	Very high	95.1	Very high	9 Å²	9	10.8 Å²	10.8	9%	0.093	6%	0.057	C	C	.	.	S	Bend	trans	94.2	-16.4	-169.8	0	0	0	0	0	113.9	H440 R441 G803 I804	H440-G443 WeakPolarHBondContact O-CA 3.22Å; H440-G443 PolarHBondContact O-N 2.99Å; R441-G443 VanDerWaalsContact C-N 3.32Å; G443-G803 CarbonylContact O-C 3.55Å; G443-G803 VanDerWaalsContact O-CA 3.23Å; G443-G803 WeakPolarHBondContact O-CA 3.37Å; G443-I804 PolarHBondContact O-N 3.01Å
444	F	95.1	Very high	95.1	Very high	14 Å²	14	10.3 Å²	10.3	6%	0.061	5%	0.052	C	C	.	.	S	Bend	trans	-134	144.6	179.4	-64.5	-94	0	0	0	110.3	H440 S442 H446 D491 W492 E493 Q723 R802	H440-F444 WeakPolarHBondContact CA-O 3.36Å; S442-F444 PolarHBondContact OG-O 3.06Å; F444-H446 PolarHBondContact O-N 3.06Å; F444-D491 HydrophobicContact CE1-CB 4.48Å; F444-D491 HydrophobicContact CE2-CB 3.89Å; F444-D491 HydrophobicContact CZ-CB 3.76Å; F444-W492 WeakPolarHBondContact CB-O 3.19Å; F444-E493 HydrophobicContact CB-CG 4.12Å; F444-E493 HydrophobicContact CD1-CG 3.79Å; F444-E493 HydrophobicContact CG-CG 4.45Å; F444-Q723 VanDerWaalsContact CZ-NE2 3.26Å; F444-R802 WeakPolarHBondContact CE1-O 3.09Å
445	T	96.5	Very high	94.6	Very high	6 Å²	6	12.8 Å²	12.8	4%	0.037	7%	0.068	C	C	.	.			trans	-66.4	115.9	179.2	-59.9	0	0	0	0	111.3	F407 A438 S439 V494	F407-T445 HydrophobicContact CD2-CG2 4.41Å; F407-T445 HydrophobicContact CE2-CG2 4.44Å; A438-T445 HydrophobicContact CB-CG2 3.79Å; S439-T445 WeakPolarHBondContact O-CA 3.24Å; T445-V494 WeakPolarHBondContact O-CB 3.36Å; T445-V494 PolarHBondContact O-N 2.71Å
446	H	97	Very high	93.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.1	179.8	-78.8	-44.1	0	0	0	112.7	A438 S439 S442 F444 Y448 T488 D489 G490 W492	A438-H446 CarbonylContact C-O 3.6Å; A438-H446 WeakPolarHBondContact CA-O 3.21Å; S439-H446 PolarHBondContact N-O 2.9Å; S439-H446 PolarHBondContact O-N 3.01Å; S442-H446 PolarHBondContact OG-CD2 2.87Å; F444-H446 PolarHBondContact O-N 3.06Å; H446-Y448 HydrophobicContact CB-CE2 4.04Å; H446-Y448 WeakPolarHBondContact O-CD2 3.35Å; H446-Y448 VanDerWaalsContact O-CE2 3.24Å; H446-Y448 WeakPolarHBondContact O-CE2 3.36Å; H446-T488 WeakPolarHBondContact CA-OG1 3.32Å; H446-T488 VanDerWaalsContact CB-O 3.24Å; H446-T488 WeakPolarHBondContact CB-O 3.38Å; H446-T488 VanDerWaalsContact CB-OG1 3.22Å; H446-T488 WeakPolarHBondContact CB-OG1 3.43Å; H446-T488 PolarHBondContact ND1-OG1 3.46Å; H446-T488 VanDerWaalsContact ND1-OG1 3.08Å; H446-D489 VanDerWaalsContact CE1-C 3.45Å; H446-D489 VanDerWaalsContact NE2-C 3.3Å; H446-D489 WeakPolarHBondContact NE2-CA 3.3Å; H446-G490 PolarHBondContact NE2-N 3.3Å; H446-G490 VanDerWaalsContact NE2-N 3.18Å; H446-G490 PolarHBondContact NE2-O 2.63Å; H446-W492 AromaticContact CE1-CD2 3.97Å; H446-W492 AromaticContact CE1-CE2 3.76Å; H446-W492 AromaticContact CE1-CZ2 3.89Å; H446-W492 PolarHBondContact CE1-O 3.17Å; H446-W492 PolarHBondContact NE2-O 3.35Å
447	L	96.7	Very high	92	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.3	179.8	-61.1	173.8	0	0	0	111.9	I436 A438 L487 T488 V494 I499 V508 F510	I436-L447 HydrophobicContact CG2-CD2 4.29Å; A438-L447 HydrophobicContact CB-CD2 3.95Å; L447-L487 HydrophobicContact CB-CB 4.18Å; L447-L487 HydrophobicContact CB-CD1 4.37Å; L447-L487 WeakPolarHBondContact O-CB 3.37Å; L447-L487 PolarHBondContact O-N 3.4Å; L447-T488 HydrophobicContact CB-CG2 4.32Å; L447-T488 HydrophobicContact CD1-CG2 4.38Å; L447-T488 PolarHBondContact N-OG1 3.36Å; L447-T488 PolarHBondContact O-N 3.33Å; L447-V494 HydrophobicContact CD1-CG1 4.5Å; L447-V494 HydrophobicContact CD2-CG1 4.23Å; L447-V494 HydrophobicContact CG-CG1 4.21Å; L447-V494 HydrophobicContact CG-CG2 4.19Å; L447-I499 HydrophobicContact CD1-CG2 4.42Å; L447-I499 HydrophobicContact CD2-CD1 4.32Å; L447-I499 HydrophobicContact CD2-CG2 3.96Å; L447-V508 HydrophobicContact CD1-CG1 3.94Å; L447-F510 HydrophobicContact CD1-CB 4.28Å; L447-F510 HydrophobicContact CD1-CD1 3.56Å; L447-F510 HydrophobicContact CD1-CD2 4.46Å; L447-F510 HydrophobicContact CD1-CE1 3.89Å; L447-F510 HydrophobicContact CD1-CG 3.85Å; L447-F510 HydrophobicContact CD1-CZ 4.44Å
448	Y	95	Very high	89.9	Confident	5 Å²	5	23.3 Å²	23.3	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.3	176.3	-63	-94.8	0	0	0	109.8	I436 W437 R441 H446 I484 N485 Q486	I436-Y448 WeakPolarHBondContact CA-O 3.4Å; W437-Y448 PolarHBondContact N-O 2.71Å; W437-Y448 PolarHBondContact O-N 2.82Å; R441-Y448 HydrophobicContact CG-CE1 4.36Å; R441-Y448 HydrophobicContact CG-CE2 4.11Å; R441-Y448 VanDerWaalsContact CG-OH 3.26Å; R441-Y448 WeakPolarHBondContact CG-OH 3.41Å; H446-Y448 HydrophobicContact CB-CE2 4.04Å; H446-Y448 WeakPolarHBondContact O-CD2 3.35Å; H446-Y448 VanDerWaalsContact O-CE2 3.24Å; H446-Y448 WeakPolarHBondContact O-CE2 3.36Å; Y448-I484 HydrophobicContact CD1-CG2 3.73Å; Y448-I484 HydrophobicContact CG-CG2 4.39Å; Y448-N485 CarbonylContact C-O 3.52Å; Y448-N485 VanDerWaalsContact CA-O 3.27Å; Y448-N485 WeakPolarHBondContact CA-O 3.34Å; Y448-Q486 HydrophobicContact CD1-CB 3.77Å; Y448-Q486 HydrophobicContact CD1-CG 4.05Å; Y448-Q486 HydrophobicContact CE1-CB 3.53Å; Y448-Q486 HydrophobicContact CE1-CG 3.5Å; Y448-Q486 PolarHBondContact OH-NE2 3.38Å; Y448-Q486 PolarHBondContact OH-OE1 3.31Å
449	L	94.9	Very high	87.4	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.6	165.6	-178	72.9	0	0	0	108.6	L411 T434 I436 F483 N485 L487 Y527	L411-L449 HydrophobicContact CD1-CD1 4.12Å; T434-L449 HydrophobicContact CG2-CD1 3.61Å; T434-L449 HydrophobicContact CG2-CG 4.14Å; I436-L449 HydrophobicContact CG1-CD1 3.73Å; L449-F483 HydrophobicContact CB-CE2 4.4Å; L449-F483 HydrophobicContact CD2-CE2 3.77Å; L449-F483 HydrophobicContact CD2-CZ 3.98Å; L449-F483 HydrophobicContact CG-CE2 3.84Å; L449-F483 HydrophobicContact CG-CZ 4.2Å; L449-N485 HydrophobicContact CB-CB 4.37Å; L449-N485 PolarHBondContact N-O 3.02Å; L449-N485 PolarHBondContact O-N 3.08Å; L449-L487 HydrophobicContact CB-CD1 4.2Å; L449-L487 HydrophobicContact CB-CD2 4.08Å; L449-L487 HydrophobicContact CB-CG 4.23Å; L449-Y527 HydrophobicContact CD1-CD2 4.47Å; L449-Y527 HydrophobicContact CD2-CD2 4.42Å
450	I	95	Very high	85.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.9	-174.4	-53.2	-178.7	0	0	0	108.8	V393 T434 F435 W437 I484	V393-I450 HydrophobicContact CG2-CD1 4.49Å; T434-I450 CarbonylContact C-O 3.57Å; T434-I450 VanDerWaalsContact CA-O 3.32Å; T434-I450 WeakPolarHBondContact CA-O 3.35Å; T434-I450 WeakPolarHBondContact CG2-O 3.2Å; F435-I450 HydrophobicContact CD2-CB 4.35Å; F435-I450 HydrophobicContact CE1-CB 4.21Å; F435-I450 HydrophobicContact CE1-CG2 4.11Å; F435-I450 HydrophobicContact CE2-CB 3.84Å; F435-I450 HydrophobicContact CE2-CD1 3.95Å; F435-I450 HydrophobicContact CE2-CG1 4.31Å; F435-I450 HydrophobicContact CE2-CG2 4.24Å; F435-I450 HydrophobicContact CZ-CB 3.76Å; F435-I450 HydrophobicContact CZ-CD1 4.33Å; F435-I450 HydrophobicContact CZ-CG2 3.68Å; F435-I450 PolarHBondContact N-O 3.28Å; F435-I450 PolarHBondContact O-N 2.7Å; W437-I450 HydrophobicContact CB-CD1 4.38Å; I450-I484 HydrophobicContact CD1-CG1 4.47Å; I450-I484 HydrophobicContact CG1-CG1 4.18Å; I450-I484 HydrophobicContact CG1-CG2 4.23Å; I450-I484 HydrophobicContact CG2-CG1 4.08Å
451	Q	94.7	Very high	82.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	167.2	-175.5	169.8	-21.5	0	0	109.6	Y416 C433 T434 Q481 I482 F483	Y416-Q451 PolarHBondContact O-NE2 3.36Å; C433-Q451 WeakPolarHBondContact O-CA 3.29Å; T434-Q451 HydrophobicContact CG2-CB 4.33Å; T434-Q451 WeakPolarHBondContact OG1-CG 3.44Å; T434-Q451 PolarHBondContact OG1-OE1 2.87Å; Q451-Q481 CarbonylContact O-C 3.54Å; Q451-I482 HydrophobicContact CB-CB 4.48Å; Q451-I482 HydrophobicContact CG-CB 4.45Å; Q451-I482 HydrophobicContact CG-CD1 4.12Å; Q451-I482 WeakPolarHBondContact O-CB 3.41Å; Q451-I482 PolarHBondContact O-N 3.37Å; Q451-F483 HydrophobicContact CB-CD1 3.69Å; Q451-F483 HydrophobicContact CB-CE1 3.24Å; Q451-F483 HydrophobicContact CB-CE2 4.49Å; Q451-F483 HydrophobicContact CB-CZ 3.69Å; Q451-F483 HydrophobicContact CG-CE1 4.17Å; Q451-F483 PolarHBondContact N-O 3.15Å; Q451-F483 VanDerWaalsContact N-O 3.14Å; Q451-F483 PolarHBondContact O-N 3.35Å; Q451-F483 VanDerWaalsContact OE1-CE1 3.31Å
452	C	95.2	Very high	80.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.4	177.6	-59.8	0	0	0	0	110.7	L392 S432 C433 W454 A479 K480	L392-C452 HydrophobicContact CD2-CB 4.01Å; L392-C452 PolarHBondContact O-SG 2.86Å; L392-C452 VanDerWaalsContact O-SG 3.37Å; S432-C452 WeakPolarHBondContact CA-O 3.42Å; S432-C452 VanDerWaalsContact CB-O 3.22Å; S432-C452 WeakPolarHBondContact CB-O 3.49Å; C433-C452 PolarHBondContact N-O 2.83Å; C433-C452 PolarHBondContact O-N 3.21Å; C452-W454 HydrophobicContact CB-CZ3 4.37Å; C452-A479 HydrophobicContact CB-CB 3.71Å; C452-K480 CarbonylContact C-O 3.48Å; C452-K480 VanDerWaalsContact CA-O 3.25Å; C452-K480 WeakPolarHBondContact CA-O 3.12Å
453	S	93.7	Very high	77.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.2	168.3	68.6	0	0	0	0	113.1	E430 N431 A479 K480	E430-S453 WeakPolarHBondContact OE2-CB 3.4Å; E430-S453 PolarHBondContact OE2-OG 3.49Å; N431-S453 CarbonylContact O-C 3.57Å; N431-S453 WeakPolarHBondContact O-CA 3.23Å; N431-S453 VanDerWaalsContact O-CB 3.3Å; N431-S453 WeakPolarHBondContact O-CB 3.38Å; S453-A479 CarbonylContact O-C 3.6Å; S453-K480 PolarHBondContact N-O 3.01Å; S453-K480 PolarHBondContact O-N 2.94Å
454	W	92.8	Very high	75.2	Confident	10 Å²	10	39.8 Å²	39.8	4%	0.038	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.5	177.1	56.3	96.5	0	0	0	110.9	Y330 L347 I390 L392 E430 N431 C433 C452 A479	Y330-W454 HydrophobicContact CE2-CZ2 4.22Å; Y330-W454 PolarHBondContact OH-NE1 3.21Å; L347-W454 HydrophobicContact CD1-CH2 3.67Å; L347-W454 HydrophobicContact CD1-CZ2 3.87Å; L347-W454 HydrophobicContact CD1-CZ3 4.48Å; I390-W454 HydrophobicContact CD1-CB 4.23Å; I390-W454 VanDerWaalsContact CD1-CD1 3.5Å; I390-W454 HydrophobicContact CD1-CD2 4.47Å; I390-W454 HydrophobicContact CD1-CG 3.83Å; I390-W454 HydrophobicContact CG1-CD2 4.18Å; I390-W454 HydrophobicContact CG1-CG 4.06Å; I390-W454 HydrophobicContact CG2-CB 4.28Å; I390-W454 HydrophobicContact CG2-CD2 3.74Å; I390-W454 HydrophobicContact CG2-CE3 3.84Å; I390-W454 HydrophobicContact CG2-CG 3.95Å; I390-W454 HydrophobicContact CG2-CZ3 4.44Å; L392-W454 HydrophobicContact CD2-CE3 4.16Å; L392-W454 HydrophobicContact CD2-CH2 4.08Å; L392-W454 HydrophobicContact CD2-CZ3 3.53Å; E430-W454 CarbonylContact C-O 3.58Å; E430-W454 WeakPolarHBondContact CA-O 3.48Å; N431-W454 HydrophobicContact CB-CD2 4.12Å; N431-W454 HydrophobicContact CB-CG 4.31Å; N431-W454 HydrophobicContact CB-CZ2 3.94Å; N431-W454 PolarHBondContact N-O 3.28Å; N431-W454 PolarHBondContact O-N 2.85Å; C433-W454 HydrophobicContact CB-CH2 3.97Å; C433-W454 HydrophobicContact CB-CZ3 4.37Å; C452-W454 HydrophobicContact CB-CZ3 4.37Å; W454-A479 HydrophobicContact CE3-CB 4.06Å
455	P	86	Confident	72.3	Confident	53 Å²	53	46.3 Å²	46.3	34%	0.344	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	142.5	178.9	-21.2	32.7	0	0	0	112.4	S459	P455-S459 WeakPolarHBondContact CB-OG 3.48Å
456	T	74.9	Confident	69.5	Low	30 Å²	30	52.8 Å²	52.8	18%	0.184	31%	0.308	C	S	.	.			trans	-70.5	146.3	170.3	46.8	0	0	0	0	111	N429 N431 N458 S459	N429-T456 WeakPolarHBondContact CB-OG1 3.28Å; N429-T456 WeakPolarHBondContact O-CB 3.32Å; N429-T456 WeakPolarHBondContact O-CG2 3.24Å; N429-T456 PolarHBondContact O-N 2.96Å; N429-T456 PolarHBondContact O-OG1 2.8Å; N431-T456 WeakPolarHBondContact OD1-CG2 3.44Å; T456-N458 PolarHBondContact O-N 3.08Å; T456-S459 PolarHBondContact O-N 3.28Å; T456-S459 PolarHBondContact O-OG 3.47Å
457	A	62.5	Low	66.7	Low	47 Å²	47	60.1 Å²	60.1	39%	0.388	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-53.8	-28.6	-172.9	0	0	0	0	0	114.9	S459 T460	A457-S459 PolarHBondContact O-N 3.18Å; A457-T460 WeakPolarHBondContact CA-OG1 3.28Å; A457-T460 PolarHBondContact O-N 2.86Å; A457-T460 PolarHBondContact O-OG1 3.07Å
458	N	51.9	Low	64	Low	144 Å²	144	67.3 Å²	67.3	77%	0.77	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-68.5	-21.1	177.6	-71.2	-9.4	0	0	0	113.6	T456 T461	T456-N458 PolarHBondContact O-N 3.08Å; N458-T461 PolarHBondContact O-OG1 3.41Å
459	S	45	Very low	61.6	Low	50 Å²	50	74.3 Å²	74.3	35%	0.35	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-88.6	-15.2	179.1	64	0	0	0	0	114	P455 T456 A457	P455-S459 WeakPolarHBondContact CB-OG 3.48Å; T456-S459 PolarHBondContact O-N 3.28Å; T456-S459 PolarHBondContact O-OG 3.47Å; A457-S459 PolarHBondContact O-N 3.18Å
460	T	48.3	Very low	59.7	Low	31 Å²	31	79.7 Å²	79.7	19%	0.19	45%	0.452	C	S	.	.			trans	-88.2	0.8	-178.5	30.7	0	0	0	0	114.6	A457 S462 I463 I477	A457-T460 WeakPolarHBondContact CA-OG1 3.28Å; A457-T460 PolarHBondContact O-N 2.86Å; A457-T460 PolarHBondContact O-OG1 3.07Å; T460-S462 PolarHBondContact O-N 2.82Å; T460-I463 PolarHBondContact O-N 2.89Å; T460-I477 HydrophobicContact CG2-CD1 4.31Å
461	T	41.3	Very low	58.2	Low	121 Å²	121	86.5 Å²	86.5	74%	0.742	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-1.2	-178.7	44.2	0	0	0	0	114.7	N458	N458-T461 PolarHBondContact O-OG1 3.41Å
462	S	39.9	Very low	57.3	Low	99 Å²	99	90.3 Å²	90.3	69%	0.692	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	4.1	178.3	71.3	0	0	0	0	116.3	T460	T460-S462 PolarHBondContact O-N 2.82Å
463	I	42.6	Very low	56.8	Low	119 Å²	119	93.1 Å²	93.1	61%	0.61	52%	0.519	S	S	*	.	S	Bend	trans	-102.7	-15.3	-172.5	-59.6	179.3	0	0	0	114	T460 N465	T460-I463 PolarHBondContact O-N 2.89Å; I463-N465 PolarHBondContact O-N 3.14Å
464	N	40.3	Very low	56.6	Low	103 Å²	103	93.8 Å²	93.8	55%	0.551	53%	0.525	S	S	*	.			trans	-96.7	48.9	-175.7	-75.6	-4.5	0	0	0	114.8
465	N	35.2	Very low	56.4	Low	151 Å²	151	96.2 Å²	96.2	81%	0.807	54%	0.541	S	S	*	.			trans	-97.7	16.2	171.1	-93.8	-7.3	0	0	0	114	I463	I463-N465 PolarHBondContact O-N 3.14Å
466	N	37.2	Very low	56.6	Low	143 Å²	143	96.7 Å²	96.7	77%	0.765	54%	0.54	S	S	*	.	S	Bend	trans	-102.8	120.8	174	-74.8	-15.4	0	0	0	110.9	D468	N466-D468 PolarHBondContact O-N 3.31Å
467	N	37	Very low	57.5	Low	153 Å²	153	97.1 Å²	97.1	82%	0.818	54%	0.541	S	S	*	.			trans	-64.9	53.8	-179.2	-74.2	-34.9	0	0	0	114.9
468	D	41	Very low	59	Low	151 Å²	151	100.2 Å²	100.2	81%	0.807	55%	0.547	S	S	*	.			trans	-98.3	102.5	170	-78.7	-26.2	0	0	0	110.6	N466 N470	N466-D468 PolarHBondContact O-N 3.31Å; D468-N470 PolarHBondContact O-N 2.98Å
469	N	45.2	Very low	61.1	Low	152 Å²	152	93.9 Å²	93.9	81%	0.813	52%	0.515	S	S	*	.			trans	-66	29.1	-173.8	-68.6	-37.1	0	0	0	116.1	E471	N469-E471 PolarHBondContact O-N 3.41Å
470	N	54.1	Low	63.4	Low	115 Å²	115	97.7 Å²	97.7	62%	0.615	53%	0.525	S	S	*	.			trans	-100.2	73.8	177.3	-90.6	-4.8	0	0	0	111.5	D468 Q472 T473	D468-N470 PolarHBondContact O-N 2.98Å; N470-Q472 PolarHBondContact O-N 2.94Å; N470-T473 PolarHBondContact O-N 3.02Å; N470-T473 PolarHBondContact O-OG1 3.39Å
471	E	63.5	Low	65.5	Low	143 Å²	143	100.3 Å²	100.3	67%	0.668	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.3	175.6	-66.9	-172.9	157.5	0	0	114.4	R306 N469	R306-E471 WeakPolarHBondContact CD-O 3.36Å; R306-E471 PolarHBondContact NH1-O 3.1Å; N469-E471 PolarHBondContact O-N 3.41Å
472	Q	75.1	Confident	67.8	Low	80 Å²	80	96.7 Å²	96.7	37%	0.374	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-16.3	-176	-64.4	-175.5	2.6	0	0	115	S307 N361 N470	S307-Q472 PolarHBondContact OG-O 2.7Å; N361-Q472 PolarHBondContact ND2-NE2 2.7Å; N470-Q472 PolarHBondContact O-N 2.94Å
473	T	86	Confident	70.2	Confident	59 Å²	59	93.2 Å²	93.2	36%	0.362	48%	0.484	S	S	.	.	S	Bend	trans	-102	140.6	-176.9	52.6	0	0	0	0	111.1	N470	N470-T473 PolarHBondContact O-N 3.02Å; N470-T473 PolarHBondContact O-OG1 3.39Å
474	A	88	Confident	72.5	Confident	16 Å²	16	90.7 Å²	90.7	13%	0.132	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-69.5	141	176.4	0	0	0	0	0	111.6	Y312 I313 C389 L476	Y312-A474 HydrophobicContact CD1-CB 3.84Å; Y312-A474 HydrophobicContact CD2-CB 4.13Å; Y312-A474 HydrophobicContact CE1-CB 3.51Å; Y312-A474 HydrophobicContact CE2-CB 3.81Å; Y312-A474 HydrophobicContact CG-CB 4.13Å; Y312-A474 VanDerWaalsContact CZ-CB 3.48Å; Y312-A474 VanDerWaalsContact O-CB 3.29Å; Y312-A474 WeakPolarHBondContact O-CB 3.46Å; Y312-A474 PolarHBondContact O-N 3.14Å; I313-A474 HydrophobicContact CG1-CB 4.28Å; C389-A474 HydrophobicContact CB-CB 4.5Å; A474-L476 PolarHBondContact O-N 2.88Å
475	T	89.5	Confident	75	Confident	60 Å²	60	87.3 Å²	87.3	37%	0.368	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-72.7	121.3	160.4	-51.3	0	0	0	0	108.5	P388 C389	P388-T475 CarbonylContact C-O 3.6Å; P388-T475 WeakPolarHBondContact CA-O 3.44Å; P388-T475 HydrophobicContact CB-CG2 4.29Å; C389-T475 PolarHBondContact N-O 3.02Å
476	L	90.9	Very high	77.7	Confident	64 Å²	64	83.3 Å²	83.3	34%	0.335	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.1	178.1	-170.7	68.3	0	0	0	110.3	V346 C389 E391 A474	V346-L476 HydrophobicContact CG1-CD1 3.87Å; V346-L476 HydrophobicContact CG2-CD1 4.47Å; C389-L476 HydrophobicContact CB-CD1 3.85Å; C389-L476 WeakPolarHBondContact O-CA 3.46Å; E391-L476 HydrophobicContact CB-CD1 4.05Å; E391-L476 HydrophobicContact CB-CD2 4.23Å; E391-L476 HydrophobicContact CB-CG 4.18Å; A474-L476 PolarHBondContact O-N 2.88Å
477	I	93	Very high	80.4	Confident	39 Å²	39	76.8 Å²	76.8	20%	0.2	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.8	173.7	-64.9	178.3	0	0	0	108.9	P388 C389 I390 E391 T460	P388-I477 HydrophobicContact CB-CD1 3.4Å; P388-I477 VanDerWaalsContact CB-CD1 3.4Å; P388-I477 HydrophobicContact CB-CG1 3.69Å; P388-I477 HydrophobicContact CG-CD1 3.4Å; P388-I477 VanDerWaalsContact CG-CD1 3.4Å; P388-I477 HydrophobicContact CG-CG1 4.25Å; C389-I477 PolarHBondContact O-N 2.92Å; I390-I477 CarbonylContact C-O 3.5Å; I390-I477 WeakPolarHBondContact CA-O 3.39Å; I390-I477 HydrophobicContact CD1-CB 4.13Å; E391-I477 PolarHBondContact N-O 3.08Å; T460-I477 HydrophobicContact CG2-CD1 4.31Å
478	Q	94.1	Very high	83.2	Confident	111 Å²	111	69.7 Å²	69.7	52%	0.519	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.8	169.4	-64.6	-64.1	-36.4	0	0	109.3	E391	E391-Q478 VanDerWaalsContact CD-NE2 3.32Å; E391-Q478 VanDerWaalsContact OE2-CD 3.3Å; E391-Q478 PolarHBondContact OE2-NE2 2.88Å; E391-Q478 PolarHBondContact OE2-OE1 3.5Å; E391-Q478 VanDerWaalsContact OE2-OE1 3.1Å
479	A	95.2	Very high	85.6	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	33%	0.334	C	S	.	.			trans	-69.1	141	174.9	0	0	0	0	0	110.7	I390 E391 L392 C452 S453 W454 Q481	I390-A479 HydrophobicContact CG2-CB 3.74Å; E391-A479 WeakPolarHBondContact O-CB 3.33Å; E391-A479 PolarHBondContact O-N 3.01Å; L392-A479 HydrophobicContact CD2-CB 4.08Å; C452-A479 HydrophobicContact CB-CB 3.71Å; S453-A479 CarbonylContact O-C 3.6Å; W454-A479 HydrophobicContact CE3-CB 4.06Å; A479-Q481 PolarHBondContact O-N 3.5Å
480	K	94.2	Very high	87.9	Confident	130 Å²	130	59.8 Å²	59.8	57%	0.565	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.2	171.4	-178	-177	178.1	-175.7	0	108.8	C452 S453 I482	C452-K480 CarbonylContact C-O 3.48Å; C452-K480 VanDerWaalsContact CA-O 3.25Å; C452-K480 WeakPolarHBondContact CA-O 3.12Å; S453-K480 PolarHBondContact N-O 3.01Å; S453-K480 PolarHBondContact O-N 2.94Å; K480-I482 PolarHBondContact O-N 2.96Å; K480-I482 VanDerWaalsContact O-N 3.1Å
481	Q	91.4	Very high	89.7	Confident	86 Å²	86	60 Å²	60	40%	0.402	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	102.4	172.9	-68.6	171.5	-4.9	0	0	109.2	Q451 A479 F483	Q451-Q481 CarbonylContact O-C 3.54Å; A479-Q481 PolarHBondContact O-N 3.5Å; Q481-F483 VanDerWaalsContact C-N 3.32Å
482	I	90.6	Very high	91.2	Very high	45 Å²	45	54.2 Å²	54.2	23%	0.231	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	-43.4	178.6	-66	175.9	0	0	0	109.6	I421 Q451 K480	I421-I482 HydrophobicContact CD1-CD1 4.08Å; I421-I482 HydrophobicContact CD1-CG2 3.71Å; Q451-I482 HydrophobicContact CB-CB 4.48Å; Q451-I482 HydrophobicContact CG-CB 4.45Å; Q451-I482 HydrophobicContact CG-CD1 4.12Å; Q451-I482 WeakPolarHBondContact O-CB 3.41Å; Q451-I482 PolarHBondContact O-N 3.37Å; K480-I482 PolarHBondContact O-N 2.96Å; K480-I482 VanDerWaalsContact O-N 3.1Å
483	F	90.3	Very high	92	Very high	26 Å²	26	50.6 Å²	50.6	11%	0.114	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156	170.4	70.2	-92.9	0	0	0	111.1	W415 Y416 L449 Q451 Q481 N485	W415-F483 HydrophobicContact CB-CZ 4.45Å; W415-F483 AromaticContact CD1-CZ 3.93Å; W415-F483 HydrophobicContact CG-CZ 4.45Å; Y416-F483 AromaticContact CD2-CE1 3.85Å; Y416-F483 HydrophobicContact CD2-CE1 3.85Å; Y416-F483 HydrophobicContact CE2-CE1 4.15Å; L449-F483 HydrophobicContact CB-CE2 4.4Å; L449-F483 HydrophobicContact CD2-CE2 3.77Å; L449-F483 HydrophobicContact CD2-CZ 3.98Å; L449-F483 HydrophobicContact CG-CE2 3.84Å; L449-F483 HydrophobicContact CG-CZ 4.2Å; Q451-F483 HydrophobicContact CB-CD1 3.69Å; Q451-F483 HydrophobicContact CB-CE1 3.24Å; Q451-F483 HydrophobicContact CB-CE2 4.49Å; Q451-F483 HydrophobicContact CB-CZ 3.69Å; Q451-F483 HydrophobicContact CG-CE1 4.17Å; Q451-F483 PolarHBondContact N-O 3.15Å; Q451-F483 VanDerWaalsContact N-O 3.14Å; Q451-F483 PolarHBondContact O-N 3.35Å; Q451-F483 VanDerWaalsContact OE1-CE1 3.31Å; Q481-F483 VanDerWaalsContact C-N 3.32Å; F483-N485 HydrophobicContact CD2-CB 4.2Å; F483-N485 HydrophobicContact CE2-CB 4.36Å
484	I	91.7	Very high	92.5	Very high	65 Å²	65	48 Å²	48	33%	0.333	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.7	164.6	-64.5	164.1	0	0	0	106.1	Y448 I450	Y448-I484 HydrophobicContact CD1-CG2 3.73Å; Y448-I484 HydrophobicContact CG-CG2 4.39Å; I450-I484 HydrophobicContact CD1-CG1 4.47Å; I450-I484 HydrophobicContact CG1-CG1 4.18Å; I450-I484 HydrophobicContact CG1-CG2 4.23Å; I450-I484 HydrophobicContact CG2-CG1 4.08Å
485	N	91.1	Very high	92.9	Very high	33 Å²	33	48.3 Å²	48.3	18%	0.176	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	175	-170.7	19.5	0	0	0	109.3	Y448 L449 F483 L487	Y448-N485 CarbonylContact C-O 3.52Å; Y448-N485 VanDerWaalsContact CA-O 3.27Å; Y448-N485 WeakPolarHBondContact CA-O 3.34Å; L449-N485 HydrophobicContact CB-CB 4.37Å; L449-N485 PolarHBondContact N-O 3.02Å; L449-N485 PolarHBondContact O-N 3.08Å; F483-N485 HydrophobicContact CD2-CB 4.2Å; F483-N485 HydrophobicContact CE2-CB 4.36Å; N485-L487 PolarHBondContact O-N 3.01Å
486	Q	93	Very high	92.9	Very high	66 Å²	66	46.4 Å²	46.4	31%	0.308	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.6	176.2	-176.1	163	-7.7	0	0	109.1	Y448 T488	Y448-Q486 HydrophobicContact CD1-CB 3.77Å; Y448-Q486 HydrophobicContact CD1-CG 4.05Å; Y448-Q486 HydrophobicContact CE1-CB 3.53Å; Y448-Q486 HydrophobicContact CE1-CG 3.5Å; Y448-Q486 PolarHBondContact OH-NE2 3.38Å; Y448-Q486 PolarHBondContact OH-OE1 3.31Å; Q486-T488 WeakPolarHBondContact CG-O 3.37Å; Q486-T488 PolarHBondContact NE2-O 3.27Å
487	L	93.5	Very high	92.6	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.257	C	S	.	.			trans	-84.2	-30	-177.3	-58.2	179.8	0	0	0	111.9	I436 L447 L449 N485 V508 V525 S534	I436-L487 HydrophobicContact CG1-CD1 4.46Å; I436-L487 HydrophobicContact CG2-CD1 4.45Å; L447-L487 HydrophobicContact CB-CB 4.18Å; L447-L487 HydrophobicContact CB-CD1 4.37Å; L447-L487 WeakPolarHBondContact O-CB 3.37Å; L447-L487 PolarHBondContact O-N 3.4Å; L449-L487 HydrophobicContact CB-CD1 4.2Å; L449-L487 HydrophobicContact CB-CD2 4.08Å; L449-L487 HydrophobicContact CB-CG 4.23Å; N485-L487 PolarHBondContact O-N 3.01Å; L487-V508 HydrophobicContact CD1-CG2 4.27Å; L487-V525 HydrophobicContact CB-CG1 4.14Å; L487-V525 HydrophobicContact CB-CG2 4.48Å; L487-V525 WeakPolarHBondContact O-CG2 3.49Å; L487-S534 PolarHBondContact O-OG 3.4Å; L487-S534 VanDerWaalsContact O-OG 3.14Å
488	T	94.8	Very high	92.6	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.031	27%	0.267	C	S	.	.			trans	-132.7	145.1	-179.5	63.2	0	0	0	0	110.5	H446 L447 Q486 W492 V494 F510 V525	H446-T488 WeakPolarHBondContact CA-OG1 3.32Å; H446-T488 VanDerWaalsContact CB-O 3.24Å; H446-T488 WeakPolarHBondContact CB-O 3.38Å; H446-T488 VanDerWaalsContact CB-OG1 3.22Å; H446-T488 WeakPolarHBondContact CB-OG1 3.43Å; H446-T488 PolarHBondContact ND1-OG1 3.46Å; H446-T488 VanDerWaalsContact ND1-OG1 3.08Å; L447-T488 HydrophobicContact CB-CG2 4.32Å; L447-T488 HydrophobicContact CD1-CG2 4.38Å; L447-T488 PolarHBondContact N-OG1 3.36Å; L447-T488 PolarHBondContact O-N 3.33Å; Q486-T488 WeakPolarHBondContact CG-O 3.37Å; Q486-T488 PolarHBondContact NE2-O 3.27Å; T488-W492 HydrophobicContact CG2-CH2 4.16Å; T488-V494 HydrophobicContact CG2-CG2 4.48Å; T488-F510 HydrophobicContact CG2-CE1 3.95Å; T488-F510 HydrophobicContact CG2-CE2 4.19Å; T488-F510 HydrophobicContact CG2-CZ 3.42Å; T488-F510 VanDerWaalsContact CG2-CZ 3.42Å; T488-V525 HydrophobicContact CG2-CG1 4.38Å
489	D	93.3	Very high	92.7	Very high	61 Å²	61	46.4 Å²	46.4	33%	0.326	25%	0.245	S	C	.	.			trans	-148.5	166.6	178.9	59	25.6	0	0	0	112.5	H446 W492 Q533	H446-D489 VanDerWaalsContact CE1-C 3.45Å; H446-D489 VanDerWaalsContact NE2-C 3.3Å; H446-D489 WeakPolarHBondContact NE2-CA 3.3Å; D489-W492 VanDerWaalsContact O-CE2 3.26Å; D489-W492 WeakPolarHBondContact O-CZ2 3.34Å; D489-W492 PolarHBondContact O-NE1 3.18Å; D489-Q533 PolarHBondContact OD2-NE2 2.92Å
490	G	92.1	Very high	92.7	Very high	34 Å²	34	46.8 Å²	46.8	35%	0.351	24%	0.244	S	C	.	.	S	Bend	trans	122.3	-178.1	176	0	0	0	0	0	113.6	H446 W492	H446-G490 PolarHBondContact NE2-N 3.3Å; H446-G490 VanDerWaalsContact NE2-N 3.18Å; H446-G490 PolarHBondContact NE2-O 2.63Å; G490-W492 PolarHBondContact O-N 2.91Å; G490-W492 VanDerWaalsContact O-N 3.08Å
491	D	92.7	Very high	92.8	Very high	119 Å²	119	41.5 Å²	41.5	64%	0.636	22%	0.223	S	C	*	.	S	Bend	trans	-87.5	53.8	-178.7	-64.4	-21.8	0	0	0	112.1	F444	F444-D491 HydrophobicContact CE1-CB 4.48Å; F444-D491 HydrophobicContact CE2-CB 3.89Å; F444-D491 HydrophobicContact CZ-CB 3.76Å
492	W	93.9	Very high	92.9	Very high	22 Å²	22	37.8 Å²	37.8	8%	0.083	21%	0.206	C	C	.	.	S	Bend	trans	-155.2	158.2	-177.7	59.5	-85.3	0	0	0	110.8	F444 H446 T488 D489 G490 V494 F510 K514 L536	F444-W492 WeakPolarHBondContact CB-O 3.19Å; H446-W492 AromaticContact CE1-CD2 3.97Å; H446-W492 AromaticContact CE1-CE2 3.76Å; H446-W492 AromaticContact CE1-CZ2 3.89Å; H446-W492 PolarHBondContact CE1-O 3.17Å; H446-W492 PolarHBondContact NE2-O 3.35Å; T488-W492 HydrophobicContact CG2-CH2 4.16Å; D489-W492 VanDerWaalsContact O-CE2 3.26Å; D489-W492 WeakPolarHBondContact O-CZ2 3.34Å; D489-W492 PolarHBondContact O-NE1 3.18Å; G490-W492 PolarHBondContact O-N 2.91Å; G490-W492 VanDerWaalsContact O-N 3.08Å; W492-V494 HydrophobicContact CH2-CG2 4.22Å; W492-V494 HydrophobicContact CZ3-CG2 3.81Å; W492-F510 HydrophobicContact CH2-CE2 4.02Å; W492-F510 HydrophobicContact CH2-CZ 4.32Å; W492-F510 HydrophobicContact CZ3-CE2 4.05Å; W492-K514 HydrophobicContact CD2-CB 3.56Å; W492-K514 HydrophobicContact CD2-CG 4.03Å; W492-K514 HydrophobicContact CE3-CB 3.92Å; W492-K514 HydrophobicContact CG-CB 3.83Å; W492-K514 HydrophobicContact CG-CG 4.07Å; W492-K514 HydrophobicContact CZ2-CB 4.3Å; W492-K514 HydrophobicContact CZ2-CD 4.03Å; W492-K514 HydrophobicContact CZ2-CG 4.38Å; W492-K514 HydrophobicContact CZ3-CB 4.43Å; W492-L536 HydrophobicContact CH2-CD2 3.95Å; W492-L536 HydrophobicContact CZ2-CD2 3.84Å
493	E	93.4	Very high	92.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	21%	0.208	C	C	.	.			trans	-108.2	141.8	-176.6	-57.3	-166.9	148	0	0	113.3	K403 F444 G512 F513 N801 G803	K403-E493 VanDerWaalsContact NZ-CD 3.27Å; K403-E493 IonicContact NZ-OE1 2.87Å; K403-E493 PolarHBondContact NZ-OE1 3.28Å; K403-E493 IonicContact NZ-OE2 2.83Å; K403-E493 PolarHBondContact NZ-OE2 3.31Å; F444-E493 HydrophobicContact CB-CG 4.12Å; F444-E493 HydrophobicContact CD1-CG 3.79Å; F444-E493 HydrophobicContact CG-CG 4.45Å; E493-G512 WeakPolarHBondContact O-CA 3.16Å; E493-F513 PolarHBondContact O-N 3.28Å; E493-N801 WeakPolarHBondContact OE2-CA 3.38Å; E493-G803 WeakPolarHBondContact OE1-CA 3.33Å; E493-G803 PolarHBondContact OE1-N 2.87Å; E493-G803 VanDerWaalsContact OE1-N 3.07Å
494	V	96.8	Very high	92.9	Very high	4 Å²	4	44 Å²	44	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.8	157.5	176.6	0	0	0	0	108.3	F407 T445 L447 T488 W492 F510	F407-V494 HydrophobicContact CE2-CG1 4.4Å; T445-V494 WeakPolarHBondContact O-CB 3.36Å; T445-V494 PolarHBondContact O-N 2.71Å; L447-V494 HydrophobicContact CD1-CG1 4.5Å; L447-V494 HydrophobicContact CD2-CG1 4.23Å; L447-V494 HydrophobicContact CG-CG1 4.21Å; L447-V494 HydrophobicContact CG-CG2 4.19Å; T488-V494 HydrophobicContact CG2-CG2 4.48Å; W492-V494 HydrophobicContact CH2-CG2 4.22Å; W492-V494 HydrophobicContact CZ3-CG2 3.81Å; V494-F510 HydrophobicContact CB-CD2 4.37Å; V494-F510 HydrophobicContact CG1-CB 4.23Å; V494-F510 HydrophobicContact CG1-CD2 3.8Å; V494-F510 HydrophobicContact CG1-CE2 4.5Å; V494-F510 HydrophobicContact CG1-CG 4.26Å; V494-F510 HydrophobicContact CG2-CD2 3.92Å; V494-F510 HydrophobicContact CG2-CE2 3.78Å
495	T	95	Very high	92.7	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.141	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-177.6	-172.3	-165.9	0	0	0	0	110.9	F407 E511 F513 K520	F407-T495 VanDerWaalsContact CZ-C 3.46Å; T495-E511 HydrophobicContact CG2-CB 3.99Å; T495-E511 PolarHBondContact N-O 3.37Å; T495-E511 WeakPolarHBondContact O-CB 3.43Å; T495-F513 HydrophobicContact CG2-CD2 3.89Å; T495-F513 HydrophobicContact CG2-CE2 3.56Å; T495-F513 HydrophobicContact CG2-CZ 4.28Å; T495-K520 HydrophobicContact CG2-CD 3.72Å; T495-K520 HydrophobicContact CG2-CG 3.95Å
496	G	89.9	Confident	92.7	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105	-173.9	179.9	0	0	0	0	0	113.2	F407 E511	F407-G496 WeakPolarHBondContact CE1-O 3.48Å; F407-G496 WeakPolarHBondContact CZ-O 3.34Å; G496-E511 WeakPolarHBondContact CA-OE2 3.13Å
497	N	85.2	Confident	92.7	Very high	115 Å²	115	41 Å²	41	62%	0.615	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	-23.8	-174.6	-64.6	-9.1	0	0	0	113.2	D406	D406-N497 VanDerWaalsContact CB-O 3.29Å; D406-N497 WeakPolarHBondContact CB-O 3.5Å
498	Q	92.8	Very high	92.8	Very high	88 Å²	88	40.7 Å²	40.7	41%	0.411	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	174	178.6	63.7	-172.5	-16.1	0	0	110.5	W500	Q498-W500 HydrophobicContact CG-CD2 4.23Å; Q498-W500 HydrophobicContact CG-CE3 4.36Å; Q498-W500 HydrophobicContact CG-CH2 3.63Å; Q498-W500 HydrophobicContact CG-CZ2 3.49Å; Q498-W500 VanDerWaalsContact CG-CZ2 3.49Å; Q498-W500 HydrophobicContact CG-CZ3 4.05Å; Q498-W500 WeakPolarHBondContact O-CZ3 3.49Å
499	I	96.1	Very high	92.9	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	157.5	166.7	58.7	175.1	0	0	0	109.8	F407 I436 L447 V501 V508 F510	F407-I499 HydrophobicContact CB-CG2 4.21Å; F407-I499 HydrophobicContact CD1-CG2 3.76Å; F407-I499 HydrophobicContact CE1-CG2 4.49Å; F407-I499 HydrophobicContact CG-CG2 4.17Å; I436-I499 HydrophobicContact CB-CD1 4.26Å; I436-I499 HydrophobicContact CG2-CD1 3.65Å; L447-I499 HydrophobicContact CD1-CG2 4.42Å; L447-I499 HydrophobicContact CD2-CD1 4.32Å; L447-I499 HydrophobicContact CD2-CG2 3.96Å; I499-V501 HydrophobicContact CD1-CG2 4.37Å; I499-V508 HydrophobicContact CB-CG1 4.11Å; I499-V508 HydrophobicContact CD1-CG1 4.28Å; I499-F510 HydrophobicContact CG2-CB 3.96Å
500	W	95.7	Very high	93.1	Very high	21 Å²	21	37.6 Å²	37.6	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.8	176	-63.3	-98.5	0	0	0	109.8	Q498 V508 Y509 L595 F598 I600	Q498-W500 HydrophobicContact CG-CD2 4.23Å; Q498-W500 HydrophobicContact CG-CE3 4.36Å; Q498-W500 HydrophobicContact CG-CH2 3.63Å; Q498-W500 HydrophobicContact CG-CZ2 3.49Å; Q498-W500 VanDerWaalsContact CG-CZ2 3.49Å; Q498-W500 HydrophobicContact CG-CZ3 4.05Å; Q498-W500 WeakPolarHBondContact O-CZ3 3.49Å; W500-V508 CarbonylContact O-C 3.58Å; W500-V508 WeakPolarHBondContact O-CA 3.42Å; W500-Y509 PolarHBondContact N-O 3.48Å; W500-Y509 PolarHBondContact O-N 3.19Å; W500-L595 HydrophobicContact CD2-CD2 3.77Å; W500-L595 HydrophobicContact CD2-CG 4.4Å; W500-L595 HydrophobicContact CE3-CD2 3.28Å; W500-L595 HydrophobicContact CE3-CG 4.08Å; W500-L595 HydrophobicContact CH2-CB 3.82Å; W500-L595 HydrophobicContact CH2-CD2 3.54Å; W500-L595 HydrophobicContact CH2-CG 3.33Å; W500-L595 HydrophobicContact CZ2-CD2 3.96Å; W500-L595 HydrophobicContact CZ2-CG 3.66Å; W500-L595 HydrophobicContact CZ3-CB 4.05Å; W500-L595 HydrophobicContact CZ3-CD2 3.19Å; W500-L595 HydrophobicContact CZ3-CG 3.58Å; W500-F598 HydrophobicContact CB-CD1 3.89Å; W500-F598 HydrophobicContact CD2-CB 4.45Å; W500-F598 HydrophobicContact CG-CB 4.09Å; W500-F598 HydrophobicContact CG-CD1 4.11Å; W500-I600 HydrophobicContact CB-CD1 4.33Å
501	V	94.8	Very high	93.3	Very high	19 Å²	19	36 Å²	36	12%	0.115	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.1	-175.8	-177.6	0	0	0	0	109.9	T409 L411 I436 I499 E503 V508 Y527 I600	T409-V501 HydrophobicContact CG2-CB 4.13Å; T409-V501 HydrophobicContact CG2-CG2 3.76Å; L411-V501 HydrophobicContact CD2-CG1 3.98Å; I436-V501 HydrophobicContact CD1-CG1 3.95Å; I436-V501 HydrophobicContact CD1-CG2 3.7Å; I499-V501 HydrophobicContact CD1-CG2 4.37Å; V501-E503 HydrophobicContact CG1-CG 4.1Å; V501-V508 HydrophobicContact CG2-CG1 4.33Å; V501-V508 HydrophobicContact CG2-CG2 4.49Å; V501-Y527 HydrophobicContact CG1-CE1 3.98Å; V501-Y527 WeakPolarHBondContact CG1-OH 3.41Å; V501-I600 WeakPolarHBondContact O-CD1 3.29Å
502	D	93.7	Very high	93.5	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	95.7	171.1	177.7	-11.5	0	0	0	108.6	D504 N505 K506 L507 Y509 Y527 I600	D502-D504 VanDerWaalsContact C-N 3.31Å; D502-D504 PolarHBondContact O-N 2.94Å; D502-D504 PolarHBondContact OD1-N 3.16Å; D502-N505 PolarHBondContact OD1-N 3.3Å; D502-N505 PolarHBondContact OD1-ND2 2.7Å; D502-N505 WeakPolarHBondContact OD2-CB 3.28Å; D502-N505 PolarHBondContact OD2-ND2 2.99Å; D502-K506 VanDerWaalsContact O-CA 3.3Å; D502-K506 WeakPolarHBondContact O-CA 3.3Å; D502-K506 PolarHBondContact O-N 2.86Å; D502-L507 HydrophobicContact CB-CB 4.35Å; D502-L507 PolarHBondContact N-O 2.85Å; D502-L507 PolarHBondContact O-N 3.49Å; D502-Y509 HydrophobicContact CB-CE2 3.88Å; D502-Y527 PolarHBondContact O-OH 2.77Å; D502-I600 HydrophobicContact CB-CG2 3.79Å
503	E	91.6	Very high	93.5	Very high	60 Å²	60	29.9 Å²	29.9	28%	0.28	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.8	-179.3	-70.6	-173.3	-96.8	0	0	113.5	L411 K412 V501 Y527	L411-E503 HydrophobicContact CD2-CG 4.29Å; K412-E503 WeakPolarHBondContact CD-OE1 3.44Å; K412-E503 WeakPolarHBondContact CE-OE1 3.33Å; K412-E503 WeakPolarHBondContact CG-OE1 3.44Å; K412-E503 PolarHBondContact N-OE2 3.5Å; K412-E503 IonicContact NZ-OE1 2.7Å; V501-E503 HydrophobicContact CG1-CG 4.1Å; E503-Y527 VanDerWaalsContact CA-OH 3.31Å; E503-Y527 WeakPolarHBondContact CA-OH 3.44Å
504	D	89.2	Confident	93.5	Very high	141 Å²	141	34 Å²	34	75%	0.754	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-35.2	-177.3	-65.8	-29.6	0	0	0	111.5	D502	D502-D504 VanDerWaalsContact C-N 3.31Å; D502-D504 PolarHBondContact O-N 2.94Å; D502-D504 PolarHBondContact OD1-N 3.16Å
505	N	88.8	Confident	93.2	Very high	35 Å²	35	38.1 Å²	38.1	19%	0.187	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-1.1	178.1	-60.5	-72.2	0	0	0	114.2	D502 L507 I625 R644	D502-N505 PolarHBondContact OD1-N 3.3Å; D502-N505 PolarHBondContact OD1-ND2 2.7Å; D502-N505 WeakPolarHBondContact OD2-CB 3.28Å; D502-N505 PolarHBondContact OD2-ND2 2.99Å; N505-L507 HydrophobicContact CB-CD1 3.97Å; N505-L507 HydrophobicContact CB-CG 4.32Å; N505-L507 PolarHBondContact O-N 2.83Å; N505-I625 HydrophobicContact CB-CD1 3.67Å; N505-I625 WeakPolarHBondContact ND2-CD1 3.36Å; N505-R644 PolarHBondContact OD1-NH1 2.85Å
506	K	91.1	Very high	93.1	Very high	62 Å²	62	38 Å²	38	27%	0.27	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	47.2	179.7	-57.2	163.2	164.5	-171.9	0	112.5	W415 D502 S526 Y527 E528	W415-K506 HydrophobicContact CH2-CB 4.13Å; W415-K506 HydrophobicContact CH2-CD 3.52Å; W415-K506 HydrophobicContact CH2-CG 3.71Å; W415-K506 HydrophobicContact CZ2-CD 4.5Å; W415-K506 HydrophobicContact CZ3-CD 4.1Å; W415-K506 HydrophobicContact CZ3-CG 3.91Å; D502-K506 VanDerWaalsContact O-CA 3.3Å; D502-K506 WeakPolarHBondContact O-CA 3.3Å; D502-K506 PolarHBondContact O-N 2.86Å; K506-S526 WeakPolarHBondContact O-CA 3.3Å; K506-S526 PolarHBondContact O-OG 3.3Å; K506-Y527 VanDerWaalsContact CA-CE1 3.44Å; K506-Y527 VanDerWaalsContact CA-CZ 3.46Å; K506-Y527 HydrophobicContact CB-CD1 4.48Å; K506-Y527 HydrophobicContact CB-CD2 4.33Å; K506-Y527 HydrophobicContact CB-CE1 4.26Å; K506-Y527 HydrophobicContact CB-CE2 4.09Å; K506-Y527 HydrophobicContact CG-CE2 4.36Å; K506-Y527 WeakPolarHBondContact O-CD1 3.33Å; K506-Y527 WeakPolarHBondContact O-CE1 3.47Å; K506-Y527 PolarHBondContact O-N 2.88Å; K506-E528 HydrophobicContact CB-CB 4.22Å; K506-E528 HydrophobicContact CD-CB 3.88Å; K506-E528 HydrophobicContact CD-CG 3.76Å; K506-E528 WeakPolarHBondContact CD-OE1 3.31Å; K506-E528 IonicContact NZ-OE1 3.8Å; K506-E528 PolarHBondContact NZ-OE1 2.96Å
507	L	92.9	Very high	93.2	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.9	-179.5	-67.8	166.9	0	0	0	111.5	D502 N505 Y509 V525 I625 P646	D502-L507 HydrophobicContact CB-CB 4.35Å; D502-L507 PolarHBondContact N-O 2.85Å; D502-L507 PolarHBondContact O-N 3.49Å; N505-L507 HydrophobicContact CB-CD1 3.97Å; N505-L507 HydrophobicContact CB-CG 4.32Å; N505-L507 PolarHBondContact O-N 2.83Å; L507-Y509 HydrophobicContact CB-CE2 3.9Å; L507-Y509 WeakPolarHBondContact CD1-OH 3.21Å; L507-V525 CarbonylContact C-O 3.56Å; L507-V525 WeakPolarHBondContact CA-O 3.34Å; L507-I625 HydrophobicContact CD1-CD1 4.24Å; L507-P646 HydrophobicContact CD1-CB 4.26Å; L507-P646 HydrophobicContact CD1-CG 3.97Å; L507-P646 HydrophobicContact CD2-CG 4.48Å
508	V	95.2	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.9	167.2	-168.3	0	0	0	0	108.9	I436 L447 L487 I499 W500 V501 S524 V525 Y527	I436-V508 HydrophobicContact CD1-CG2 3.44Å; I436-V508 VanDerWaalsContact CD1-CG2 3.44Å; I436-V508 HydrophobicContact CG1-CG2 4.47Å; L447-V508 HydrophobicContact CD1-CG1 3.94Å; L487-V508 HydrophobicContact CD1-CG2 4.27Å; I499-V508 HydrophobicContact CB-CG1 4.11Å; I499-V508 HydrophobicContact CD1-CG1 4.28Å; W500-V508 CarbonylContact O-C 3.58Å; W500-V508 WeakPolarHBondContact O-CA 3.42Å; V501-V508 HydrophobicContact CG2-CG1 4.33Å; V501-V508 HydrophobicContact CG2-CG2 4.49Å; V508-S524 CarbonylContact O-C 3.47Å; V508-S524 VanDerWaalsContact O-CA 3.23Å; V508-S524 WeakPolarHBondContact O-CA 3.44Å; V508-V525 HydrophobicContact CB-CG1 4.06Å; V508-V525 HydrophobicContact CG2-CG1 4.49Å; V508-V525 PolarHBondContact N-O 3.07Å; V508-V525 PolarHBondContact O-N 3.31Å; V508-Y527 HydrophobicContact CG2-CD1 3.6Å; V508-Y527 HydrophobicContact CG2-CE1 3.95Å
509	Y	96.7	Very high	93.7	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.3	173.6	-54.9	-96	0	0	0	109.8	W500 D502 L507 Y523 L539 F598 M605 V623 P646	W500-Y509 PolarHBondContact N-O 3.48Å; W500-Y509 PolarHBondContact O-N 3.19Å; D502-Y509 HydrophobicContact CB-CE2 3.88Å; L507-Y509 HydrophobicContact CB-CE2 3.9Å; L507-Y509 WeakPolarHBondContact CD1-OH 3.21Å; Y509-Y523 VanDerWaalsContact CA-O 3.32Å; Y509-Y523 WeakPolarHBondContact CA-O 3.4Å; Y509-L539 HydrophobicContact CD1-CD1 3.71Å; Y509-L539 HydrophobicContact CE1-CD1 3.96Å; Y509-F598 HydrophobicContact CD1-CE1 4.47Å; Y509-F598 HydrophobicContact CD2-CD1 4.25Å; Y509-F598 AromaticContact CD2-CE1 3.6Å; Y509-F598 HydrophobicContact CD2-CE1 3.6Å; Y509-F598 AromaticContact CE2-CE1 3.66Å; Y509-F598 HydrophobicContact CE2-CE1 3.66Å; Y509-F598 HydrophobicContact CE2-CZ 4.25Å; Y509-F598 HydrophobicContact CG-CD1 4.46Å; Y509-F598 HydrophobicContact CG-CE1 4.03Å; Y509-M605 HydrophobicContact CD1-CE 4.08Å; Y509-M605 HydrophobicContact CG-CE 4.46Å; Y509-V623 HydrophobicContact CE1-CG1 4.05Å; Y509-P646 HydrophobicContact CE1-CB 4.14Å; Y509-P646 HydrophobicContact CE1-CG 4.23Å
510	F	97.1	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	167.2	-174.4	62.5	-87.5	0	0	0	111.8	L447 T488 W492 V494 I499 Y523 V525 L536	L447-F510 HydrophobicContact CD1-CB 4.28Å; L447-F510 HydrophobicContact CD1-CD1 3.56Å; L447-F510 HydrophobicContact CD1-CD2 4.46Å; L447-F510 HydrophobicContact CD1-CE1 3.89Å; L447-F510 HydrophobicContact CD1-CG 3.85Å; L447-F510 HydrophobicContact CD1-CZ 4.44Å; T488-F510 HydrophobicContact CG2-CE1 3.95Å; T488-F510 HydrophobicContact CG2-CE2 4.19Å; T488-F510 HydrophobicContact CG2-CZ 3.42Å; T488-F510 VanDerWaalsContact CG2-CZ 3.42Å; W492-F510 HydrophobicContact CH2-CE2 4.02Å; W492-F510 HydrophobicContact CH2-CZ 4.32Å; W492-F510 HydrophobicContact CZ3-CE2 4.05Å; V494-F510 HydrophobicContact CB-CD2 4.37Å; V494-F510 HydrophobicContact CG1-CB 4.23Å; V494-F510 HydrophobicContact CG1-CD2 3.8Å; V494-F510 HydrophobicContact CG1-CE2 4.5Å; V494-F510 HydrophobicContact CG1-CG 4.26Å; V494-F510 HydrophobicContact CG2-CD2 3.92Å; V494-F510 HydrophobicContact CG2-CE2 3.78Å; I499-F510 HydrophobicContact CG2-CB 3.96Å; F510-Y523 HydrophobicContact CE2-CD2 4.14Å; F510-Y523 HydrophobicContact CE2-CG 4.25Å; F510-Y523 HydrophobicContact CZ-CG 4.44Å; F510-Y523 PolarHBondContact N-O 3.29Å; F510-Y523 PolarHBondContact O-N 3.41Å; F510-V525 HydrophobicContact CD1-CG1 4.46Å; F510-V525 HydrophobicContact CE1-CB 4.07Å; F510-V525 HydrophobicContact CE1-CG1 3.72Å; F510-L536 HydrophobicContact CE1-CD1 3.93Å; F510-L536 HydrophobicContact CE2-CD1 4.42Å; F510-L536 HydrophobicContact CZ-CD1 3.41Å; F510-L536 VanDerWaalsContact CZ-CD1 3.41Å
511	E	97.3	Very high	93.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148.9	174.1	-32	-179.7	159.7	0	0	110.9	T495 G496 K520 H521 I522 Q594 L595	T495-E511 HydrophobicContact CG2-CB 3.99Å; T495-E511 PolarHBondContact N-O 3.37Å; T495-E511 WeakPolarHBondContact O-CB 3.43Å; G496-E511 WeakPolarHBondContact CA-OE2 3.13Å; E511-K520 HydrophobicContact CB-CD 3.59Å; E511-K520 HydrophobicContact CB-CG 3.97Å; E511-K520 HydrophobicContact CG-CD 4.25Å; E511-K520 WeakPolarHBondContact OE2-CD 3.34Å; E511-K520 WeakPolarHBondContact OE2-CE 3.12Å; E511-K520 IonicContact OE2-NZ 2.73Å; E511-K520 PolarHBondContact OE2-NZ 3.43Å; E511-H521 WeakPolarHBondContact CA-O 3.42Å; E511-I522 HydrophobicContact CB-CD1 4.2Å; E511-I522 HydrophobicContact CG-CD1 3.88Å; E511-Q594 WeakPolarHBondContact OE1-CG 3.38Å; E511-L595 HydrophobicContact CG-CB 4.25Å; E511-L595 PolarHBondContact OE1-N 2.92Å
512	G	96.4	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	167.2	178.9	0	0	0	0	0	114.6	E493 H521 Y523	E493-G512 WeakPolarHBondContact O-CA 3.16Å; G512-H521 PolarHBondContact N-O 3.29Å; G512-H521 PolarHBondContact O-N 2.93Å; G512-Y523 WeakPolarHBondContact O-CE2 3.28Å
513	F	93.5	Very high	93.9	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.057	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	25.8	-179	-68.7	-73.3	0	0	0	113.8	E493 T495 E515 H516 K520 N801	E493-F513 PolarHBondContact O-N 3.28Å; T495-F513 HydrophobicContact CG2-CD2 3.89Å; T495-F513 HydrophobicContact CG2-CE2 3.56Å; T495-F513 HydrophobicContact CG2-CZ 4.28Å; F513-E515 PolarHBondContact O-N 3.45Å; F513-H516 CarbonylContact O-C 3.59Å; F513-H516 PolarHBondContact O-N 2.97Å; F513-K520 HydrophobicContact CD1-CB 4.26Å; F513-K520 HydrophobicContact CE1-CB 3.76Å; F513-K520 HydrophobicContact CE1-CG 4.33Å; F513-K520 HydrophobicContact CZ-CB 4.19Å; F513-K520 HydrophobicContact CZ-CG 4.4Å; F513-N801 HydrophobicContact CD2-CB 3.93Å; F513-N801 HydrophobicContact CE2-CB 3.67Å; F513-N801 HydrophobicContact CZ-CB 4.32Å
514	K	93.5	Very high	94	Very high	91 Å²	91	25.7 Å²	25.7	40%	0.396	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	-47.3	-174.9	-177.2	178.3	176.4	178.6	0	113.7	W492 Y523 L536	W492-K514 HydrophobicContact CD2-CB 3.56Å; W492-K514 HydrophobicContact CD2-CG 4.03Å; W492-K514 HydrophobicContact CE3-CB 3.92Å; W492-K514 HydrophobicContact CG-CB 3.83Å; W492-K514 HydrophobicContact CG-CG 4.07Å; W492-K514 HydrophobicContact CZ2-CB 4.3Å; W492-K514 HydrophobicContact CZ2-CD 4.03Å; W492-K514 HydrophobicContact CZ2-CG 4.38Å; W492-K514 HydrophobicContact CZ3-CB 4.43Å; K514-Y523 HydrophobicContact CB-CE1 4.03Å; K514-Y523 WeakPolarHBondContact CB-OH 3.5Å; K514-Y523 HydrophobicContact CD-CE1 4.4Å; K514-Y523 PolarHBondContact N-OH 3.37Å; K514-L536 HydrophobicContact CD-CD2 3.33Å
515	E	91.1	Very high	94.2	Very high	89 Å²	89	19 Å²	19	42%	0.416	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-36.7	-177.3	-52.9	-50.4	144.2	0	0	112.3	F513 Y523	F513-E515 PolarHBondContact O-N 3.45Å; E515-Y523 PolarHBondContact N-OH 2.72Å
516	H	91.6	Very high	94.4	Very high	21 Å²	21	18.3 Å²	18.3	10%	0.097	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	140.3	178.4	-163.1	-98.1	0	0	0	112.1	F513 L518 L519 D576 L578 F579 Y727	F513-H516 CarbonylContact O-C 3.59Å; F513-H516 PolarHBondContact O-N 2.97Å; H516-L518 WeakPolarHBondContact ND1-CB 3.33Å; H516-L518 PolarHBondContact ND1-N 2.86Å; H516-L518 VanDerWaalsContact ND1-N 3.18Å; H516-L518 PolarHBondContact O-N 2.89Å; H516-L519 HydrophobicContact CB-CB 4.15Å; H516-L519 HydrophobicContact CB-CD1 4.47Å; H516-L519 HydrophobicContact CB-CG 4.34Å; H516-L519 PolarHBondContact O-N 2.83Å; H516-L519 VanDerWaalsContact O-O 3.09Å; H516-D576 IonicContact CE1-OD2 3.95Å; H516-D576 IonicContact NE2-OD1 2.67Å; H516-D576 IonicContact NE2-OD2 3.53Å; H516-L578 HydrophobicContact CB-CD2 3.78Å; H516-F579 AromaticContact CE1-CE2 3.96Å; H516-Y727 AromaticContact CE1-CE1 3.88Å
517	P	92.5	Very high	94.3	Very high	28 Å²	28	15.6 Å²	15.6	18%	0.182	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.2	178.9	-26.1	36.2	0	0	0	115.4	Y727 Q767	P517-Y727 HydrophobicContact CB-CE2 4Å; P517-Y727 HydrophobicContact CG-CE2 4.08Å; P517-Q767 PolarHBondContact O-NE2 3.2Å
518	L	94.4	Very high	93.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-12.1	178.3	-53.2	-173.8	0	0	0	113.7	H516 F579 V675 Y727 V769 G771	H516-L518 WeakPolarHBondContact ND1-CB 3.33Å; H516-L518 PolarHBondContact ND1-N 2.86Å; H516-L518 VanDerWaalsContact ND1-N 3.18Å; H516-L518 PolarHBondContact O-N 2.89Å; L518-F579 HydrophobicContact CB-CE2 4.43Å; L518-F579 HydrophobicContact CB-CZ 4.44Å; L518-F579 HydrophobicContact CD1-CE2 4.02Å; L518-V675 HydrophobicContact CD1-CG1 3.82Å; L518-Y727 HydrophobicContact CD1-CD1 3.77Å; L518-Y727 HydrophobicContact CD1-CE1 4.44Å; L518-Y727 HydrophobicContact CD1-CG 4.11Å; L518-Y727 HydrophobicContact CD2-CD1 4.32Å; L518-Y727 HydrophobicContact CD2-CD2 4.21Å; L518-Y727 HydrophobicContact CD2-CG 3.89Å; L518-Y727 HydrophobicContact CG-CD1 4.07Å; L518-Y727 HydrophobicContact CG-CE1 4.48Å; L518-Y727 HydrophobicContact CG-CG 4.16Å; L518-V769 HydrophobicContact CD1-CG1 4.32Å; L518-V769 HydrophobicContact CD2-CG1 4.14Å; L518-V769 VanDerWaalsContact CD2-O 3.31Å; L518-V769 WeakPolarHBondContact CD2-O 3.49Å; L518-G771 WeakPolarHBondContact O-CA 3.35Å; L518-G771 PolarHBondContact O-N 2.95Å
519	L	94	Very high	92.5	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.026	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.7	-175.6	-62.3	-179.3	0	0	0	110.8	H516 L578 F579 P590	H516-L519 HydrophobicContact CB-CB 4.15Å; H516-L519 HydrophobicContact CB-CD1 4.47Å; H516-L519 HydrophobicContact CB-CG 4.34Å; H516-L519 PolarHBondContact O-N 2.83Å; H516-L519 VanDerWaalsContact O-O 3.09Å; L519-L578 HydrophobicContact CD1-CD2 3.42Å; L519-L578 VanDerWaalsContact CD1-CD2 3.42Å; L519-L578 HydrophobicContact CD1-CG 4.39Å; L519-L578 HydrophobicContact CG-CD2 4.29Å; L519-F579 HydrophobicContact CD1-CZ 4.42Å; L519-F579 HydrophobicContact CD2-CE1 4.42Å; L519-F579 HydrophobicContact CD2-CZ 4.01Å; L519-F579 HydrophobicContact CG-CZ 4.15Å; L519-P590 HydrophobicContact CD1-CB 3.81Å; L519-P590 HydrophobicContact CD1-CG 3.71Å; L519-P590 HydrophobicContact CD2-CG 4.27Å
520	K	95.2	Very high	90.7	Very high	31 Å²	31	25.8 Å²	25.8	14%	0.135	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.7	173.6	-164.1	-172.5	-56.1	-176	0	109.9	T495 E511 F513 S592 Y593	T495-K520 HydrophobicContact CG2-CD 3.72Å; T495-K520 HydrophobicContact CG2-CG 3.95Å; E511-K520 HydrophobicContact CB-CD 3.59Å; E511-K520 HydrophobicContact CB-CG 3.97Å; E511-K520 HydrophobicContact CG-CD 4.25Å; E511-K520 WeakPolarHBondContact OE2-CD 3.34Å; E511-K520 WeakPolarHBondContact OE2-CE 3.12Å; E511-K520 IonicContact OE2-NZ 2.73Å; E511-K520 PolarHBondContact OE2-NZ 3.43Å; F513-K520 HydrophobicContact CD1-CB 4.26Å; F513-K520 HydrophobicContact CE1-CB 3.76Å; F513-K520 HydrophobicContact CE1-CG 4.33Å; F513-K520 HydrophobicContact CZ-CB 4.19Å; F513-K520 HydrophobicContact CZ-CG 4.4Å; K520-S592 WeakPolarHBondContact CB-OG 3.34Å; K520-S592 PolarHBondContact N-OG 2.94Å; K520-S592 PolarHBondContact O-OG 2.89Å; K520-Y593 WeakPolarHBondContact CB-O 3.25Å; K520-Y593 WeakPolarHBondContact CD-O 3.3Å; K520-Y593 WeakPolarHBondContact CG-O 3.35Å; K520-Y593 PolarHBondContact O-N 2.89Å
521	H	96.3	Very high	88.6	Confident	13 Å²	13	30.5 Å²	30.5	6%	0.06	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	164.3	174.5	-75	-72.2	0	0	0	111.2	E511 G512 Y523 T540 Y593	E511-H521 WeakPolarHBondContact CA-O 3.42Å; G512-H521 PolarHBondContact N-O 3.29Å; G512-H521 PolarHBondContact O-N 2.93Å; H521-Y523 HydrophobicContact CB-CD2 4.46Å; H521-Y523 HydrophobicContact CB-CE2 3.61Å; H521-Y523 WeakPolarHBondContact O-CD2 3.32Å; H521-Y523 VanDerWaalsContact O-CE2 3.3Å; H521-Y523 WeakPolarHBondContact O-CE2 3.48Å; H521-T540 WeakPolarHBondContact CB-OG1 3.37Å; H521-T540 PolarHBondContact ND1-OG1 2.9Å; H521-Y593 AromaticContact CE1-CE2 3.86Å; H521-Y593 AromaticContact ND1-CD2 3.55Å; H521-Y593 AromaticContact ND1-CE2 3.72Å
522	I	96.9	Very high	86.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.7	175	-48.4	-52.4	0	0	0	108.9	E511 L539 T540 L595 M605 L607	E511-I522 HydrophobicContact CB-CD1 4.2Å; E511-I522 HydrophobicContact CG-CD1 3.88Å; I522-L539 HydrophobicContact CG2-CD1 4.23Å; I522-L539 WeakPolarHBondContact O-CB 3.32Å; I522-L539 PolarHBondContact O-N 3.35Å; I522-T540 HydrophobicContact CB-CG2 3.92Å; I522-T540 HydrophobicContact CG1-CG2 3.85Å; I522-T540 PolarHBondContact N-OG1 2.97Å; I522-L595 HydrophobicContact CD1-CB 3.72Å; I522-L595 HydrophobicContact CG1-CB 4.49Å; I522-L595 HydrophobicContact CG2-CD2 4.29Å; I522-M605 HydrophobicContact CG2-SD 4.25Å; I522-L607 HydrophobicContact CD1-CD2 4.35Å; I522-L607 HydrophobicContact CG1-CD1 4.36Å; I522-L607 HydrophobicContact CG1-CD2 3.8Å
523	Y	96.2	Very high	84.5	Confident	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	161	-179.1	-54.5	-98.3	0	0	0	111	Y509 F510 G512 K514 E515 H521 L536 N537 C538	Y509-Y523 VanDerWaalsContact CA-O 3.32Å; Y509-Y523 WeakPolarHBondContact CA-O 3.4Å; F510-Y523 HydrophobicContact CE2-CD2 4.14Å; F510-Y523 HydrophobicContact CE2-CG 4.25Å; F510-Y523 HydrophobicContact CZ-CG 4.44Å; F510-Y523 PolarHBondContact N-O 3.29Å; F510-Y523 PolarHBondContact O-N 3.41Å; G512-Y523 WeakPolarHBondContact O-CE2 3.28Å; K514-Y523 HydrophobicContact CB-CE1 4.03Å; K514-Y523 WeakPolarHBondContact CB-OH 3.5Å; K514-Y523 HydrophobicContact CD-CE1 4.4Å; K514-Y523 PolarHBondContact N-OH 3.37Å; E515-Y523 PolarHBondContact N-OH 2.72Å; H521-Y523 HydrophobicContact CB-CD2 4.46Å; H521-Y523 HydrophobicContact CB-CE2 3.61Å; H521-Y523 WeakPolarHBondContact O-CD2 3.32Å; H521-Y523 VanDerWaalsContact O-CE2 3.3Å; H521-Y523 WeakPolarHBondContact O-CE2 3.48Å; Y523-L536 HydrophobicContact CD1-CD1 4.18Å; Y523-L536 HydrophobicContact CD1-CD2 3.71Å; Y523-L536 HydrophobicContact CD1-CG 3.83Å; Y523-L536 HydrophobicContact CE1-CD2 4.13Å; Y523-L536 HydrophobicContact CG-CD1 4.23Å; Y523-L536 HydrophobicContact CG-CD2 4.34Å; Y523-L536 HydrophobicContact CG-CG 4.38Å; Y523-N537 CarbonylContact C-O 3.51Å; Y523-N537 VanDerWaalsContact CA-O 3.25Å; Y523-N537 WeakPolarHBondContact CA-O 3.33Å; Y523-C538 HydrophobicContact CD1-CB 3.71Å; Y523-C538 HydrophobicContact CE1-CB 3.61Å
524	S	95.2	Very high	83	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.2	165	65	0	0	0	0	110.1	V508 N537 P646	V508-S524 CarbonylContact O-C 3.47Å; V508-S524 VanDerWaalsContact O-CA 3.23Å; V508-S524 WeakPolarHBondContact O-CA 3.44Å; S524-N537 PolarHBondContact N-O 2.86Å; S524-N537 PolarHBondContact O-N 2.87Å; S524-N537 PolarHBondContact OG-ND2 3.21Å; S524-P646 WeakPolarHBondContact OG-CG 3.34Å
525	V	93.5	Very high	82	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.2	172.4	70.8	0	0	0	0	110.7	L487 T488 L507 V508 F510 S534 L536	L487-V525 HydrophobicContact CB-CG1 4.14Å; L487-V525 HydrophobicContact CB-CG2 4.48Å; L487-V525 WeakPolarHBondContact O-CG2 3.49Å; T488-V525 HydrophobicContact CG2-CG1 4.38Å; L507-V525 CarbonylContact C-O 3.56Å; L507-V525 WeakPolarHBondContact CA-O 3.34Å; V508-V525 HydrophobicContact CB-CG1 4.06Å; V508-V525 HydrophobicContact CG2-CG1 4.49Å; V508-V525 PolarHBondContact N-O 3.07Å; V508-V525 PolarHBondContact O-N 3.31Å; F510-V525 HydrophobicContact CD1-CG1 4.46Å; F510-V525 HydrophobicContact CE1-CB 4.07Å; F510-V525 HydrophobicContact CE1-CG1 3.72Å; V525-S534 VanDerWaalsContact CG2-CB 3.47Å; V525-S534 WeakPolarHBondContact CG2-OG 3.49Å; V525-L536 HydrophobicContact CB-CD1 4.11Å
526	S	91.3	Very high	82	Confident	20 Å²	20	42.7 Å²	42.7	14%	0.14	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.3	173.8	-179.3	0	0	0	0	110.5	K506 E528 S534	K506-S526 WeakPolarHBondContact O-CA 3.3Å; K506-S526 PolarHBondContact O-OG 3.3Å; S526-E528 WeakPolarHBondContact OG-CB 3.04Å; S526-E528 PolarHBondContact OG-N 2.93Å; S526-S534 WeakPolarHBondContact O-CB 3.42Å; S526-S534 PolarHBondContact O-OG 3.18Å
527	Y	90.2	Very high	81.9	Confident	4 Å²	4	43 Å²	43	2%	0.016	22%	0.219	C	C	.	.			trans	-110.9	19.3	170.9	61.4	-90.7	0	0	0	112.4	L411 W415 I436 L449 V501 D502 E503 K506 V508	L411-Y527 HydrophobicContact CD1-CE2 4.13Å; W415-Y527 HydrophobicContact CE3-CD2 4.1Å; W415-Y527 AromaticContact CE3-CE2 3.95Å; W415-Y527 HydrophobicContact CE3-CE2 3.95Å; W415-Y527 AromaticContact CH2-CD2 3.56Å; W415-Y527 HydrophobicContact CH2-CD2 3.56Å; W415-Y527 AromaticContact CH2-CE2 3.78Å; W415-Y527 HydrophobicContact CH2-CE2 3.78Å; W415-Y527 WeakPolarHBondContact CH2-O 3.44Å; W415-Y527 HydrophobicContact CZ2-CD2 4.32Å; W415-Y527 WeakPolarHBondContact CZ2-O 3.23Å; W415-Y527 AromaticContact CZ3-CD2 3.48Å; W415-Y527 HydrophobicContact CZ3-CD2 3.48Å; W415-Y527 VanDerWaalsContact CZ3-CD2 3.48Å; W415-Y527 AromaticContact CZ3-CE2 3.27Å; W415-Y527 HydrophobicContact CZ3-CE2 3.27Å; I436-Y527 HydrophobicContact CD1-CD1 4.43Å; I436-Y527 HydrophobicContact CD1-CE1 4.38Å; L449-Y527 HydrophobicContact CD1-CD2 4.47Å; L449-Y527 HydrophobicContact CD2-CD2 4.42Å; V501-Y527 HydrophobicContact CG1-CE1 3.98Å; V501-Y527 WeakPolarHBondContact CG1-OH 3.41Å; D502-Y527 PolarHBondContact O-OH 2.77Å; E503-Y527 VanDerWaalsContact CA-OH 3.31Å; E503-Y527 WeakPolarHBondContact CA-OH 3.44Å; K506-Y527 VanDerWaalsContact CA-CE1 3.44Å; K506-Y527 VanDerWaalsContact CA-CZ 3.46Å; K506-Y527 HydrophobicContact CB-CD1 4.48Å; K506-Y527 HydrophobicContact CB-CD2 4.33Å; K506-Y527 HydrophobicContact CB-CE1 4.26Å; K506-Y527 HydrophobicContact CB-CE2 4.09Å; K506-Y527 HydrophobicContact CG-CE2 4.36Å; K506-Y527 WeakPolarHBondContact O-CD1 3.33Å; K506-Y527 WeakPolarHBondContact O-CE1 3.47Å; K506-Y527 PolarHBondContact O-N 2.88Å; V508-Y527 HydrophobicContact CG2-CD1 3.6Å; V508-Y527 HydrophobicContact CG2-CE1 3.95Å
528	E	82.9	Confident	82	Confident	68 Å²	68	42.6 Å²	42.6	32%	0.318	22%	0.217	S	C	.	.	S	Bend	trans	-73.3	-44.4	-177.3	-175.3	157.9	-137.2	0	0	114.4	W415 K506 S526	W415-E528 WeakPolarHBondContact CZ2-O 3.4Å; K506-E528 HydrophobicContact CB-CB 4.22Å; K506-E528 HydrophobicContact CD-CB 3.88Å; K506-E528 HydrophobicContact CD-CG 3.76Å; K506-E528 WeakPolarHBondContact CD-OE1 3.31Å; K506-E528 IonicContact NZ-OE1 3.8Å; K506-E528 PolarHBondContact NZ-OE1 2.96Å; S526-E528 WeakPolarHBondContact OG-CB 3.04Å; S526-E528 PolarHBondContact OG-N 2.93Å
529	N	66.9	Low	82	Confident	39 Å²	39	43 Å²	43	21%	0.209	22%	0.219	C	C	.	.			trans	-104.8	135.5	-171.7	-72.8	-34.5	0	0	0	112.2	N641	N529-N641 PolarHBondContact ND2-ND2 2.87Å
530	R	58.8	Low	81.9	Confident	112 Å²	112	42.8 Å²	42.8	42%	0.423	22%	0.219	S	C	.	.	S	Bend	trans	-79.5	-21.2	-179.3	-83.8	-167.3	170	178.5	4.3	114.6	Y416	Y416-R530 VanDerWaalsContact CZ-NE 3.34Å; Y416-R530 WeakPolarHBondContact OH-CD 3.33Å; Y416-R530 PolarHBondContact OH-NE 3.33Å; Y416-R530 VanDerWaalsContact OH-NE 3.08Å
531	S	54.3	Low	81.3	Confident	100 Å²	100	46.1 Å²	46.1	70%	0.699	24%	0.237	S	C	*	.	S	Bend	trans	-115.7	-3.7	-156	53	0	0	0	0	115.7
532	D	50.3	Low	80.1	Confident	98 Å²	98	52.4 Å²	52.4	52%	0.524	27%	0.271	S	S	.	.	S	Bend	trans	-127.7	139.9	173.3	-71.3	-44.6	0	0	0	108.1	S534	D532-S534 PolarHBondContact O-N 2.93Å
533	Q	56.5	Low	79.3	Confident	153 Å²	153	53 Å²	53	72%	0.715	27%	0.274	S	S	*	.			trans	-48.6	111.3	164.6	-82.4	174.4	-25.9	0	0	107.1	D489 Q535	D489-Q533 PolarHBondContact OD2-NE2 2.92Å; Q533-Q535 PolarHBondContact O-N 3.27Å
534	S	61.2	Low	77.6	Confident	17 Å²	17	57.7 Å²	57.7	12%	0.119	31%	0.307	C	S	.	.			trans	-57.2	117.2	-178.8	37.9	0	0	0	0	108	L487 V525 S526 D532 L536	L487-S534 PolarHBondContact O-OG 3.4Å; L487-S534 VanDerWaalsContact O-OG 3.14Å; V525-S534 VanDerWaalsContact CG2-CB 3.47Å; V525-S534 WeakPolarHBondContact CG2-OG 3.49Å; S526-S534 WeakPolarHBondContact O-CB 3.42Å; S526-S534 PolarHBondContact O-OG 3.18Å; D532-S534 PolarHBondContact O-N 2.93Å; S534-L536 PolarHBondContact O-N 3.27Å
535	Q	74	Confident	76	Confident	150 Å²	150	59.2 Å²	59.2	70%	0.701	32%	0.315	S	S	*	.			trans	-57.7	108.7	-176.4	-172.8	178.8	8.8	0	0	109.2	Q533 N537	Q533-Q535 PolarHBondContact O-N 3.27Å; Q535-N537 PolarHBondContact O-N 3.46Å
536	L	89.4	Confident	74.1	Confident	32 Å²	32	63 Å²	63	17%	0.168	34%	0.335	C	S	.	.			trans	-66.4	130.6	176.8	-176	69.1	0	0	0	109.2	W492 F510 K514 Y523 V525 S534	W492-L536 HydrophobicContact CH2-CD2 3.95Å; W492-L536 HydrophobicContact CZ2-CD2 3.84Å; F510-L536 HydrophobicContact CE1-CD1 3.93Å; F510-L536 HydrophobicContact CE2-CD1 4.42Å; F510-L536 HydrophobicContact CZ-CD1 3.41Å; F510-L536 VanDerWaalsContact CZ-CD1 3.41Å; K514-L536 HydrophobicContact CD-CD2 3.33Å; Y523-L536 HydrophobicContact CD1-CD1 4.18Å; Y523-L536 HydrophobicContact CD1-CD2 3.71Å; Y523-L536 HydrophobicContact CD1-CG 3.83Å; Y523-L536 HydrophobicContact CE1-CD2 4.13Å; Y523-L536 HydrophobicContact CG-CD1 4.23Å; Y523-L536 HydrophobicContact CG-CD2 4.34Å; Y523-L536 HydrophobicContact CG-CG 4.38Å; V525-L536 HydrophobicContact CB-CD1 4.11Å; S534-L536 PolarHBondContact O-N 3.27Å
537	N	91.1	Very high	72.2	Confident	26 Å²	26	65.6 Å²	65.6	14%	0.139	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.3	-178.9	-179.8	46.4	0	0	0	109.7	Y523 S524 Q535 L539 K645 P646	Y523-N537 CarbonylContact C-O 3.51Å; Y523-N537 VanDerWaalsContact CA-O 3.25Å; Y523-N537 WeakPolarHBondContact CA-O 3.33Å; S524-N537 PolarHBondContact N-O 2.86Å; S524-N537 PolarHBondContact O-N 2.87Å; S524-N537 PolarHBondContact OG-ND2 3.21Å; Q535-N537 PolarHBondContact O-N 3.46Å; N537-L539 WeakPolarHBondContact ND2-CD2 3.05Å; N537-L539 PolarHBondContact O-N 3.03Å; N537-K645 WeakPolarHBondContact OD1-CE 3.44Å; N537-P646 PolarHBondContact ND2-O 2.69Å
538	C	93.8	Very high	70.1	Confident	21 Å²	21	70.6 Å²	70.6	14%	0.142	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.4	173.2	-173.8	0	0	0	0	109.5	Y523 L541	Y523-C538 HydrophobicContact CD1-CB 3.71Å; Y523-C538 HydrophobicContact CE1-CB 3.61Å; C538-L541 HydrophobicContact CB-CB 4.25Å
539	L	93.5	Very high	68.5	Low	10 Å²	10	71.9 Å²	71.9	5%	0.052	38%	0.383	C	S	.	.	S	Bend	trans	-75.1	-28.8	-175.1	-66	-179.7	0	0	0	112.8	Y509 I522 N537 P646 L648	Y509-L539 HydrophobicContact CD1-CD1 3.71Å; Y509-L539 HydrophobicContact CE1-CD1 3.96Å; I522-L539 HydrophobicContact CG2-CD1 4.23Å; I522-L539 WeakPolarHBondContact O-CB 3.32Å; I522-L539 PolarHBondContact O-N 3.35Å; N537-L539 WeakPolarHBondContact ND2-CD2 3.05Å; N537-L539 PolarHBondContact O-N 3.03Å; L539-P646 HydrophobicContact CD2-CB 4.28Å; L539-P646 HydrophobicContact CD2-CG 4.13Å; L539-P646 WeakPolarHBondContact CD2-O 3.26Å; L539-L648 HydrophobicContact CB-CB 3.98Å; L539-L648 HydrophobicContact CB-CD2 4.2Å; L539-L648 HydrophobicContact CD2-CB 4.5Å
540	T	92.2	Very high	67.6	Low	1 Å²	1	73.5 Å²	73.5	1%	0.006	40%	0.395	C	S	.	.	S	Bend	trans	-95.2	-10.6	-171.8	46.2	0	0	0	0	114.9	H521 I522 N542 L543 Y593 L607 L648	H521-T540 WeakPolarHBondContact CB-OG1 3.37Å; H521-T540 PolarHBondContact ND1-OG1 2.9Å; I522-T540 HydrophobicContact CB-CG2 3.92Å; I522-T540 HydrophobicContact CG1-CG2 3.85Å; I522-T540 PolarHBondContact N-OG1 2.97Å; T540-N542 VanDerWaalsContact C-N 3.31Å; T540-N542 PolarHBondContact O-N 3Å; T540-L543 PolarHBondContact O-N 3.33Å; T540-Y593 HydrophobicContact CG2-CD1 3.74Å; T540-Y593 HydrophobicContact CG2-CD2 3.97Å; T540-Y593 HydrophobicContact CG2-CE1 4.09Å; T540-Y593 HydrophobicContact CG2-CE2 4.3Å; T540-Y593 HydrophobicContact CG2-CG 3.67Å; T540-L607 HydrophobicContact CG2-CD1 4Å; T540-L648 HydrophobicContact CG2-CD2 4.17Å
541	L	82.7	Confident	67.1	Low	100 Å²	100	75 Å²	75	52%	0.524	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-38.6	-175.3	-170.9	66.3	0	0	0	112.4	C538	C538-L541 HydrophobicContact CB-CB 4.25Å
542	N	71	Confident	66.9	Low	146 Å²	146	70.8 Å²	70.8	78%	0.781	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	13.5	-179.4	-65.8	-39	0	0	0	113.1	T540 S544	T540-N542 VanDerWaalsContact C-N 3.31Å; T540-N542 PolarHBondContact O-N 3Å; N542-S544 PolarHBondContact O-N 3.38Å
543	L	80	Confident	66.9	Low	12 Å²	12	68.1 Å²	68.1	6%	0.063	36%	0.361	C	S	.	.			trans	-66.8	106	179.4	-168.8	64.7	0	0	0	107.8	T540 I545 Y593 L607 Q619 L648 H650	T540-L543 PolarHBondContact O-N 3.33Å; L543-I545 WeakPolarHBondContact O-CG1 3.49Å; L543-I545 PolarHBondContact O-N 2.89Å; L543-I545 VanDerWaalsContact O-N 3.08Å; L543-Y593 HydrophobicContact CD2-CE1 4.08Å; L543-L607 HydrophobicContact CD2-CD1 4.41Å; L543-Q619 VanDerWaalsContact CD2-OE1 3.25Å; L543-L648 HydrophobicContact CD1-CD2 4.08Å; L543-L648 HydrophobicContact CD1-CG 4.18Å; L543-L648 HydrophobicContact CD2-CD2 4.04Å; L543-H650 HydrophobicContact CD1-CB 4.02Å
544	S	61.2	Low	66.6	Low	99 Å²	99	66.3 Å²	66.3	69%	0.692	35%	0.351	S	S	*	.			trans	-65.4	112.4	-176.8	56.6	0	0	0	0	109.3	N542	N542-S544 PolarHBondContact O-N 3.38Å
545	I	62.3	Low	66.1	Low	35 Å²	35	67.6 Å²	67.6	18%	0.179	36%	0.36	C	S	.	.			trans	-98	121.7	172.4	-54.9	-171.8	0	0	0	105.9	L543 N547 L591	L543-I545 WeakPolarHBondContact O-CG1 3.49Å; L543-I545 PolarHBondContact O-N 2.89Å; L543-I545 VanDerWaalsContact O-N 3.08Å; I545-N547 PolarHBondContact O-N 3.14Å; I545-L591 HydrophobicContact CD1-CD1 3.01Å; I545-L591 HydrophobicContact CD1-CG 3.93Å; I545-L591 HydrophobicContact CG1-CD1 4.48Å
546	N	53.3	Low	65	Low	80 Å²	80	62 Å²	62	43%	0.428	33%	0.334	S	S	.	.			trans	-64.6	84.3	168.9	-112.4	-8.1	0	0	0	108.1	D84 N548	D84-N546 WeakPolarHBondContact OD1-CB 3.48Å; D84-N546 PolarHBondContact OD1-ND2 3.29Å; D84-N546 PolarHBondContact OD2-ND2 2.89Å; N546-N548 PolarHBondContact O-N 2.96Å; N546-N548 PolarHBondContact OD1-ND2 2.92Å
547	N	50.7	Low	63.2	Low	75 Å²	75	65 Å²	65	40%	0.401	35%	0.347	S	S	.	.			trans	-73.5	25.6	169.8	-84.8	-25.7	0	0	0	111	I545 D549 K614	I545-N547 PolarHBondContact O-N 3.14Å; N547-D549 PolarHBondContact O-N 3.17Å; N547-K614 PolarHBondContact OD1-NZ 3.4Å
548	N	45.5	Very low	61.1	Low	109 Å²	109	69.8 Å²	69.8	58%	0.583	37%	0.373	S	S	*	.			trans	-68.2	-1.3	-173.3	-79.3	-18.1	0	0	0	114.1	N546 T550	N546-N548 PolarHBondContact O-N 2.96Å; N546-N548 PolarHBondContact OD1-ND2 2.92Å; N548-T550 PolarHBondContact O-N 2.96Å
549	D	51	Low	59	Low	94 Å²	94	70.1 Å²	70.1	50%	0.503	38%	0.377	S	S	.	.			trans	-73.3	53.6	162.8	-82.9	-22.1	0	0	0	112.1	N547 H551 V552	N547-D549 PolarHBondContact O-N 3.17Å; D549-H551 PolarHBondContact O-N 3.47Å; D549-H551 VanDerWaalsContact O-N 3.15Å; D549-V552 HydrophobicContact CB-CG2 4.33Å; D549-V552 PolarHBondContact O-N 2.85Å
550	T	46.9	Very low	56.6	Low	73 Å²	73	75.8 Å²	75.8	45%	0.448	42%	0.415	S	S	.	.	H	α-helix	trans	-58.9	-19.8	166.1	59.6	0	0	0	0	111.9	N548 V552 K554	N548-T550 PolarHBondContact O-N 2.96Å; T550-V552 VanDerWaalsContact C-N 3.34Å; T550-V552 PolarHBondContact O-N 3.18Å; T550-K554 WeakPolarHBondContact O-CB 3.26Å; T550-K554 WeakPolarHBondContact O-CG 3Å; T550-K554 PolarHBondContact O-N 3.44Å
551	H	47.6	Very low	54.5	Low	143 Å²	143	77.3 Å²	77.3	66%	0.662	42%	0.423	S	S	*	.	H	α-helix	trans	-61.6	-38	174.7	-77.6	-72.6	0	0	0	112.9	D549 K554 S555	D549-H551 PolarHBondContact O-N 3.47Å; D549-H551 VanDerWaalsContact O-N 3.15Å; H551-K554 PolarHBondContact O-N 2.82Å; H551-S555 PolarHBondContact O-N 3.42Å; H551-S555 PolarHBondContact O-OG 3.45Å
552	V	51.2	Low	52.8	Low	13 Å²	13	74.4 Å²	74.4	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-73.8	-41.6	-178.6	-179	0	0	0	0	110.9	D549 T550 K554 S555 I556 W659	D549-V552 HydrophobicContact CB-CG2 4.33Å; D549-V552 PolarHBondContact O-N 2.85Å; T550-V552 VanDerWaalsContact C-N 3.34Å; T550-V552 PolarHBondContact O-N 3.18Å; V552-K554 VanDerWaalsContact C-N 3.33Å; V552-K554 PolarHBondContact O-N 2.85Å; V552-S555 VanDerWaalsContact CA-OG 3.3Å; V552-S555 WeakPolarHBondContact CA-OG 3.38Å; V552-S555 PolarHBondContact O-N 3.09Å; V552-S555 VanDerWaalsContact O-N 3.16Å; V552-S555 PolarHBondContact O-OG 3.19Å; V552-I556 HydrophobicContact CG1-CD1 3.88Å; V552-I556 HydrophobicContact CG1-CG1 4.38Å; V552-I556 WeakPolarHBondContact O-CB 3.19Å; V552-I556 VanDerWaalsContact O-CG1 3.28Å; V552-I556 WeakPolarHBondContact O-CG1 3.45Å; V552-I556 PolarHBondContact O-N 2.84Å; V552-W659 HydrophobicContact CB-CD2 4.48Å; V552-W659 HydrophobicContact CB-CG 4.39Å; V552-W659 HydrophobicContact CG1-CB 4.15Å; V552-W659 HydrophobicContact CG1-CD2 4Å; V552-W659 HydrophobicContact CG1-CG 3.84Å; V552-W659 HydrophobicContact CG2-CG 4.41Å
553	M	50.2	Low	51.4	Low	41 Å²	41	71.3 Å²	71.3	20%	0.202	40%	0.401	C	S	.	.	H	α-helix	trans	-58.7	-45.2	172.2	-78.8	-85.2	-73.4	0	0	111.4	S555 I556 Q557 M586 P588	M553-S555 PolarHBondContact O-N 3.29Å; M553-I556 PolarHBondContact O-N 3.06Å; M553-Q557 WeakPolarHBondContact O-CB 3.06Å; M553-Q557 VanDerWaalsContact O-CG 3.26Å; M553-Q557 WeakPolarHBondContact O-CG 3.46Å; M553-Q557 PolarHBondContact O-N 3.49Å; M553-M586 WeakPolarHBondContact CE-O 3.4Å; M553-P588 HydrophobicContact CE-CG 4.37Å; M553-P588 HydrophobicContact CG-CG 4.48Å; M553-P588 HydrophobicContact SD-CG 4.05Å
554	K	49.1	Very low	49.9	Very low	116 Å²	116	76.5 Å²	76.5	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-38.2	174.5	-76.3	177.6	-178.9	173.9	0	112.2	T550 H551 V552 N558	T550-K554 WeakPolarHBondContact O-CB 3.26Å; T550-K554 WeakPolarHBondContact O-CG 3Å; T550-K554 PolarHBondContact O-N 3.44Å; H551-K554 PolarHBondContact O-N 2.82Å; V552-K554 VanDerWaalsContact C-N 3.33Å; V552-K554 PolarHBondContact O-N 2.85Å; K554-N558 WeakPolarHBondContact O-CA 3.17Å; K554-N558 WeakPolarHBondContact O-CB 3.24Å; K554-N558 PolarHBondContact O-N 2.77Å; K554-N558 PolarHBondContact O-ND2 3.26Å; K554-N558 VanDerWaalsContact O-ND2 3.09Å
555	S	51.1	Low	49.4	Very low	43 Å²	43	74.8 Å²	74.8	30%	0.301	42%	0.418	S	S	.	.	H	α-helix	trans	-71.7	-30.9	177.1	60	0	0	0	0	112.8	H551 V552 M553 A559	H551-S555 PolarHBondContact O-N 3.42Å; H551-S555 PolarHBondContact O-OG 3.45Å; V552-S555 VanDerWaalsContact CA-OG 3.3Å; V552-S555 WeakPolarHBondContact CA-OG 3.38Å; V552-S555 PolarHBondContact O-N 3.09Å; V552-S555 VanDerWaalsContact O-N 3.16Å; V552-S555 PolarHBondContact O-OG 3.19Å; M553-S555 PolarHBondContact O-N 3.29Å; S555-A559 WeakPolarHBondContact O-CA 3.47Å; S555-A559 WeakPolarHBondContact O-CB 3.08Å; S555-A559 PolarHBondContact O-N 2.89Å
556	I	51	Low	48.7	Very low	32 Å²	32	77.5 Å²	77.5	16%	0.164	44%	0.438	C	S	.	.	H	α-helix	trans	-71.2	-45.4	173.1	-68.5	168.2	0	0	0	109.9	V552 M553 A559 S562 M586	V552-I556 HydrophobicContact CG1-CD1 3.88Å; V552-I556 HydrophobicContact CG1-CG1 4.38Å; V552-I556 WeakPolarHBondContact O-CB 3.19Å; V552-I556 VanDerWaalsContact O-CG1 3.28Å; V552-I556 WeakPolarHBondContact O-CG1 3.45Å; V552-I556 PolarHBondContact O-N 2.84Å; M553-I556 PolarHBondContact O-N 3.06Å; I556-A559 WeakPolarHBondContact O-CB 3.49Å; I556-A559 PolarHBondContact O-N 2.99Å; I556-S562 WeakPolarHBondContact O-CB 3.27Å; I556-S562 PolarHBondContact O-OG 2.99Å; I556-M586 HydrophobicContact CG2-CE 3.33Å; I556-M586 HydrophobicContact CG2-SD 3.97Å
557	Q	52.7	Low	48.5	Very low	95 Å²	95	76.5 Å²	76.5	44%	0.444	43%	0.432	S	S	.	.	H	α-helix	trans	-68.1	-31.6	176.8	-72.6	176.1	-14.8	0	0	113.4	M553 S562	M553-Q557 WeakPolarHBondContact O-CB 3.06Å; M553-Q557 VanDerWaalsContact O-CG 3.26Å; M553-Q557 WeakPolarHBondContact O-CG 3.46Å; M553-Q557 PolarHBondContact O-N 3.49Å; Q557-S562 PolarHBondContact O-OG 2.69Å; Q557-S562 VanDerWaalsContact O-OG 3.13Å
558	N	46.8	Very low	48.7	Very low	127 Å²	127	77 Å²	77	68%	0.679	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2	176.4	-64.1	-28.4	0	0	0	112.5	K554	K554-N558 WeakPolarHBondContact O-CA 3.17Å; K554-N558 WeakPolarHBondContact O-CB 3.24Å; K554-N558 PolarHBondContact O-N 2.77Å; K554-N558 PolarHBondContact O-ND2 3.26Å; K554-N558 VanDerWaalsContact O-ND2 3.09Å
559	A	48.4	Very low	49.1	Very low	28 Å²	28	77.4 Å²	77.4	23%	0.231	44%	0.441	C	S	.	.	S	Bend	trans	-59.6	132.3	170.2	0	0	0	0	0	105.8	S555 I556 N561 S562	S555-A559 WeakPolarHBondContact O-CA 3.47Å; S555-A559 WeakPolarHBondContact O-CB 3.08Å; S555-A559 PolarHBondContact O-N 2.89Å; I556-A559 WeakPolarHBondContact O-CB 3.49Å; I556-A559 PolarHBondContact O-N 2.99Å; A559-N561 PolarHBondContact O-N 2.76Å; A559-S562 PolarHBondContact O-N 3.01Å; A559-S562 PolarHBondContact O-OG 3.14Å
560	P	44.5	Very low	49.6	Very low	130 Å²	130	77 Å²	77	84%	0.844	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	6.9	-175.8	17.6	-26.3	0	0	0	114.6
561	N	48.4	Very low	50.8	Low	33 Å²	33	73.5 Å²	73.5	18%	0.176	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	1.2	-160.3	-49.5	-5.1	0	0	0	112.3	A559 S563 N736	A559-N561 PolarHBondContact O-N 2.76Å; N561-S563 VanDerWaalsContact C-N 3.31Å; N561-S563 PolarHBondContact O-N 2.88Å; N561-N736 VanDerWaalsContact CG-CG 3.45Å; N561-N736 PolarHBondContact ND2-ND2 2.94Å; N561-N736 PolarHBondContact OD1-ND2 3.42Å
562	S	45	Very low	51.8	Low	39 Å²	39	71.9 Å²	71.9	27%	0.273	41%	0.41	S	S	.	.			trans	-92.8	57	175.1	64.9	0	0	0	0	110.8	I556 Q557 A559	I556-S562 WeakPolarHBondContact O-CB 3.27Å; I556-S562 PolarHBondContact O-OG 2.99Å; Q557-S562 PolarHBondContact O-OG 2.69Å; Q557-S562 VanDerWaalsContact O-OG 3.13Å; A559-S562 PolarHBondContact O-N 3.01Å; A559-S562 PolarHBondContact O-OG 3.14Å
563	S	42.8	Very low	52.8	Low	81 Å²	81	74.7 Å²	74.7	57%	0.566	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-71.1	129.6	165	42.6	0	0	0	0	108.4	N561 L565	N561-S563 VanDerWaalsContact C-N 3.31Å; N561-S563 PolarHBondContact O-N 2.88Å; S563-L565 PolarHBondContact O-N 3.01Å
564	P	47.5	Very low	54.3	Low	121 Å²	121	72.8 Å²	72.8	79%	0.786	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-55.2	133.2	174.8	21.9	-30.7	0	0	0	108.9
565	L	52.4	Low	56.1	Low	62 Å²	62	67.3 Å²	67.3	33%	0.325	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-50.5	137.5	175.6	-77.6	154.3	0	0	0	108.8	S563 M567 L732	S563-L565 PolarHBondContact O-N 3.01Å; L565-M567 HydrophobicContact CB-CG 3.96Å; L565-M567 HydrophobicContact CB-SD 4.02Å; L565-M567 HydrophobicContact CD1-SD 4.49Å; L565-M567 WeakPolarHBondContact O-CG 3.38Å; L565-M567 PolarHBondContact O-N 3.1Å; L565-L732 HydrophobicContact CD1-CD1 4.13Å; L565-L732 HydrophobicContact CD2-CD1 4.09Å
566	P	45.8	Very low	57.9	Low	93 Å²	93	65.5 Å²	65.5	60%	0.604	38%	0.384	S	S	*	.			trans	-66	90.3	168.6	25.5	-29.7	0	0	0	107.9	F751	P566-F751 HydrophobicContact CG-CE1 4.32Å; P566-F751 HydrophobicContact CG-CE2 4.11Å; P566-F751 HydrophobicContact CG-CZ 3.75Å
567	M	50.3	Low	59.6	Low	59 Å²	59	66.3 Å²	66.3	29%	0.291	39%	0.391	S	S	.	.			trans	-87.1	125.3	-173.7	-68.3	-77.5	-112	0	0	110	L565 I571 L575 L584	L565-M567 HydrophobicContact CB-CG 3.96Å; L565-M567 HydrophobicContact CB-SD 4.02Å; L565-M567 HydrophobicContact CD1-SD 4.49Å; L565-M567 WeakPolarHBondContact O-CG 3.38Å; L565-M567 PolarHBondContact O-N 3.1Å; M567-I571 HydrophobicContact CB-CD1 4.23Å; M567-I571 HydrophobicContact CE-CB 4.19Å; M567-I571 HydrophobicContact CE-CG2 3.45Å; M567-I571 VanDerWaalsContact CE-CG2 3.45Å; M567-I571 HydrophobicContact CG-CD1 4.39Å; M567-I571 HydrophobicContact SD-CB 4.05Å; M567-I571 HydrophobicContact SD-CD1 3.35Å; M567-I571 WeakPolarHBondContact SD-CD1 3.33Å; M567-I571 HydrophobicContact SD-CG1 4.24Å; M567-I571 HydrophobicContact SD-CG2 3.69Å; M567-L575 HydrophobicContact CE-CD1 4.14Å; M567-L584 HydrophobicContact CE-CD2 3.1Å
568	N	54.3	Low	61.2	Low	85 Å²	85	65.6 Å²	65.6	46%	0.455	39%	0.39	S	S	.	.			trans	-68.4	143	163.7	-169.1	-10.3	0	0	0	108.5	N570 I571	N568-N570 PolarHBondContact O-N 2.88Å; N568-I571 HydrophobicContact CB-CD1 4.42Å; N568-I571 HydrophobicContact CB-CG1 4.35Å; N568-I571 WeakPolarHBondContact O-CB 3.4Å; N568-I571 WeakPolarHBondContact O-CG1 3.29Å; N568-I571 PolarHBondContact O-N 3.47Å
569	T	54.5	Low	63.2	Low	117 Å²	117	59.6 Å²	59.6	72%	0.718	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.4	177.8	49.9	0	0	0	0	113	I571	T569-I571 VanDerWaalsContact C-N 3.28Å; T569-I571 PolarHBondContact O-N 3Å
570	N	62	Low	64.8	Low	85 Å²	85	60.5 Å²	60.5	46%	0.455	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.4	177.1	-67.8	-14.1	0	0	0	113.8	N568 E572 S573	N568-N570 PolarHBondContact O-N 2.88Å; N570-E572 PolarHBondContact O-N 2.81Å; N570-S573 PolarHBondContact O-OG 3.3Å
571	I	70.7	Confident	66.3	Low	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-68.8	-38.8	-173.4	-60.3	-178.7	0	0	0	111.7	M567 N568 T569 S573 T574 L575 A832 T833	M567-I571 HydrophobicContact CB-CD1 4.23Å; M567-I571 HydrophobicContact CE-CB 4.19Å; M567-I571 HydrophobicContact CE-CG2 3.45Å; M567-I571 VanDerWaalsContact CE-CG2 3.45Å; M567-I571 HydrophobicContact CG-CD1 4.39Å; M567-I571 HydrophobicContact SD-CB 4.05Å; M567-I571 HydrophobicContact SD-CD1 3.35Å; M567-I571 WeakPolarHBondContact SD-CD1 3.33Å; M567-I571 HydrophobicContact SD-CG1 4.24Å; M567-I571 HydrophobicContact SD-CG2 3.69Å; N568-I571 HydrophobicContact CB-CD1 4.42Å; N568-I571 HydrophobicContact CB-CG1 4.35Å; N568-I571 WeakPolarHBondContact O-CB 3.4Å; N568-I571 WeakPolarHBondContact O-CG1 3.29Å; N568-I571 PolarHBondContact O-N 3.47Å; T569-I571 VanDerWaalsContact C-N 3.28Å; T569-I571 PolarHBondContact O-N 3Å; I571-S573 PolarHBondContact O-N 2.81Å; I571-T574 PolarHBondContact O-N 3.44Å; I571-L575 HydrophobicContact CG2-CD1 4.27Å; I571-L575 HydrophobicContact CG2-CD2 4.44Å; I571-L575 HydrophobicContact CG2-CG 4.12Å; I571-L575 PolarHBondContact O-N 2.8Å; I571-L575 VanDerWaalsContact O-N 3.13Å; I571-A832 VanDerWaalsContact CG1-O 3.3Å; I571-A832 WeakPolarHBondContact CG1-O 3.39Å; I571-T833 WeakPolarHBondContact CD1-O 3.12Å
572	E	70	Confident	67.7	Low	109 Å²	109	56.2 Å²	56.2	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-36	-176.4	-65.6	-177.3	174.7	0	0	112.4	N570 T574 L584	N570-E572 PolarHBondContact O-N 2.81Å; E572-T574 VanDerWaalsContact C-N 3.3Å; E572-T574 PolarHBondContact O-N 2.8Å; E572-L584 HydrophobicContact CG-CD1 4.32Å
573	S	71.4	Confident	69.1	Low	72 Å²	72	55.3 Å²	55.3	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-72.3	-23.6	179.6	66.9	0	0	0	0	114	N570 I571	N570-S573 PolarHBondContact O-OG 3.3Å; I571-S573 PolarHBondContact O-N 2.81Å
574	T	81.1	Confident	70.5	Confident	1 Å²	1	54 Å²	54	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-89.9	-23.7	-180	-61.2	0	0	0	0	112.8	I571 E572 L676 R677 Y828 A832	I571-T574 PolarHBondContact O-N 3.44Å; E572-T574 VanDerWaalsContact C-N 3.3Å; E572-T574 PolarHBondContact O-N 2.8Å; T574-L676 HydrophobicContact CG2-CB 4.14Å; T574-L676 HydrophobicContact CG2-CD2 4.15Å; T574-L676 WeakPolarHBondContact O-CA 3.29Å; T574-R677 PolarHBondContact O-N 2.65Å; T574-Y828 HydrophobicContact CG2-CD1 4.39Å; T574-Y828 HydrophobicContact CG2-CE1 3.53Å; T574-Y828 PolarHBondContact OG1-OH 3.29Å; T574-A832 HydrophobicContact CG2-CB 4.08Å; T574-A832 WeakPolarHBondContact OG1-CB 3.47Å
575	L	87.5	Confident	71.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-65.1	141.5	174.2	-67.6	176.8	0	0	0	110.3	M567 I571 C583 L584 L674 V675 L676	M567-L575 HydrophobicContact CE-CD1 4.14Å; I571-L575 HydrophobicContact CG2-CD1 4.27Å; I571-L575 HydrophobicContact CG2-CD2 4.44Å; I571-L575 HydrophobicContact CG2-CG 4.12Å; I571-L575 PolarHBondContact O-N 2.8Å; I571-L575 VanDerWaalsContact O-N 3.13Å; L575-C583 HydrophobicContact CD1-CB 4.17Å; L575-C583 HydrophobicContact CD2-CB 4.25Å; L575-L584 HydrophobicContact CD1-CD1 4.41Å; L575-L584 HydrophobicContact CD1-CD2 3.7Å; L575-L584 HydrophobicContact CD1-CG 3.97Å; L575-L674 HydrophobicContact CD2-CB 4.1Å; L575-L674 HydrophobicContact CD2-CD2 4.29Å; L575-V675 WeakPolarHBondContact CA-O 3.36Å; L575-L676 HydrophobicContact CD2-CD2 3.96Å
576	D	90.1	Very high	72.3	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	29%	0.291	C	S	.	.			trans	-67.7	129	171.4	-172.8	-84.7	0	0	0	110.3	H516 L578 F579 H580 V675	H516-D576 IonicContact CE1-OD2 3.95Å; H516-D576 IonicContact NE2-OD1 2.67Å; H516-D576 IonicContact NE2-OD2 3.53Å; D576-L578 PolarHBondContact O-N 2.89Å; D576-L578 WeakPolarHBondContact OD1-CB 3.21Å; D576-L578 PolarHBondContact OD1-N 3.22Å; D576-F579 HydrophobicContact CB-CD2 3.96Å; D576-F579 CarbonylContact O-C 3.43Å; D576-F579 PolarHBondContact O-N 3.15Å; D576-F579 WeakPolarHBondContact OD1-CD2 3.26Å; D576-H580 PolarHBondContact O-N 3.06Å; D576-V675 HydrophobicContact CB-CB 4.31Å; D576-V675 HydrophobicContact CB-CG1 3.87Å; D576-V675 PolarHBondContact N-O 3.22Å
577	P	85.9	Confident	73.8	Confident	49 Å²	49	52.6 Å²	52.6	32%	0.318	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.2	-174.9	-26.6	34.6	0	0	0	113.7	F579 H580 R677 I717	P577-F579 VanDerWaalsContact C-N 3.26Å; P577-F579 PolarHBondContact O-N 2.88Å; P577-H580 WeakPolarHBondContact O-CB 3.41Å; P577-H580 PolarHBondContact O-N 2.77Å; P577-R677 VanDerWaalsContact CG-CZ 3.43Å; P577-I717 HydrophobicContact CG-CB 4.47Å
578	L	86.6	Confident	75.4	Confident	81 Å²	81	51.8 Å²	51.8	42%	0.424	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-27.6	-178.6	-173.4	60.9	0	0	0	112	H516 L519 D576 P590	H516-L578 HydrophobicContact CB-CD2 3.78Å; L519-L578 HydrophobicContact CD1-CD2 3.42Å; L519-L578 VanDerWaalsContact CD1-CD2 3.42Å; L519-L578 HydrophobicContact CD1-CG 4.39Å; L519-L578 HydrophobicContact CG-CD2 4.29Å; D576-L578 PolarHBondContact O-N 2.89Å; D576-L578 WeakPolarHBondContact OD1-CB 3.21Å; D576-L578 PolarHBondContact OD1-N 3.22Å; L578-P590 HydrophobicContact CG-CG 4.47Å
579	F	87.4	Confident	77.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.1	-179.7	-60.2	-81.3	0	0	0	113	H516 L518 L519 D576 P577 D581 S582 C583 Y589 P590 L612 V675	H516-F579 AromaticContact CE1-CE2 3.96Å; L518-F579 HydrophobicContact CB-CE2 4.43Å; L518-F579 HydrophobicContact CB-CZ 4.44Å; L518-F579 HydrophobicContact CD1-CE2 4.02Å; L519-F579 HydrophobicContact CD1-CZ 4.42Å; L519-F579 HydrophobicContact CD2-CE1 4.42Å; L519-F579 HydrophobicContact CD2-CZ 4.01Å; L519-F579 HydrophobicContact CG-CZ 4.15Å; D576-F579 HydrophobicContact CB-CD2 3.96Å; D576-F579 CarbonylContact O-C 3.43Å; D576-F579 PolarHBondContact O-N 3.15Å; D576-F579 WeakPolarHBondContact OD1-CD2 3.26Å; P577-F579 VanDerWaalsContact C-N 3.26Å; P577-F579 PolarHBondContact O-N 2.88Å; F579-D581 PolarHBondContact O-N 3.37Å; F579-S582 WeakPolarHBondContact O-CA 3.2Å; F579-S582 WeakPolarHBondContact O-CB 3.5Å; F579-S582 PolarHBondContact O-N 3.03Å; F579-C583 PolarHBondContact O-N 3.36Å; F579-C583 PolarHBondContact O-SG 2.81Å; F579-Y589 HydrophobicContact CB-CE1 4.47Å; F579-Y589 AromaticContact CD1-CD1 3.52Å; F579-Y589 HydrophobicContact CD1-CD1 3.52Å; F579-Y589 AromaticContact CD1-CE1 3.96Å; F579-Y589 HydrophobicContact CD1-CE1 3.96Å; F579-Y589 HydrophobicContact CE1-CD1 4.07Å; F579-P590 HydrophobicContact CD1-CG 3.95Å; F579-P590 HydrophobicContact CE1-CG 3.49Å; F579-P590 VanDerWaalsContact CE1-CG 3.49Å; F579-P590 HydrophobicContact CZ-CG 4.14Å; F579-L612 HydrophobicContact CE1-CD1 4.39Å; F579-V675 HydrophobicContact CB-CB 3.85Å; F579-V675 HydrophobicContact CB-CG2 3.92Å; F579-V675 HydrophobicContact CD1-CG2 4.09Å; F579-V675 HydrophobicContact CD2-CB 3.96Å; F579-V675 HydrophobicContact CD2-CG1 3.7Å; F579-V675 HydrophobicContact CD2-CG2 4.12Å; F579-V675 HydrophobicContact CE2-CG1 4.15Å; F579-V675 HydrophobicContact CG-CB 3.93Å; F579-V675 HydrophobicContact CG-CG1 4.19Å; F579-V675 HydrophobicContact CG-CG2 3.77Å
580	H	83	Confident	78.9	Confident	48 Å²	48	44.5 Å²	44.5	22%	0.222	24%	0.24	C	C	.	.	H	α-helix	trans	-52.1	-55.4	-175.1	178.5	-88.5	0	0	0	112.4	D576 P577 S582 C583 L584	D576-H580 PolarHBondContact O-N 3.06Å; P577-H580 WeakPolarHBondContact O-CB 3.41Å; P577-H580 PolarHBondContact O-N 2.77Å; H580-S582 VanDerWaalsContact C-N 3.26Å; H580-S582 PolarHBondContact O-N 3.04Å; H580-C583 PolarHBondContact O-N 2.7Å; H580-C583 VanDerWaalsContact O-N 3.15Å; H580-L584 WeakPolarHBondContact CE1-CD1 3.39Å; H580-L584 VanDerWaalsContact NE2-CD1 3.3Å; H580-L584 WeakPolarHBondContact NE2-CD1 3.46Å; H580-L584 WeakPolarHBondContact O-CG 3.34Å; H580-L584 PolarHBondContact O-N 3.08Å
581	D	75.7	Confident	80.4	Confident	62 Å²	62	41.2 Å²	41.2	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-29.1	178.6	-78.7	6.9	0	0	0	112.9	F579 L585 M586 K587	F579-D581 PolarHBondContact O-N 3.37Å; D581-L585 HydrophobicContact CB-CD1 4.21Å; D581-L585 CarbonylContact O-C 3.6Å; D581-L585 WeakPolarHBondContact O-CA 3.5Å; D581-L585 VanDerWaalsContact O-CB 3.27Å; D581-L585 WeakPolarHBondContact O-CB 3.27Å; D581-L585 PolarHBondContact O-N 3.22Å; D581-M586 PolarHBondContact O-N 3.18Å; D581-K587 HydrophobicContact CB-CD 3.92Å; D581-K587 HydrophobicContact CB-CG 4.41Å; D581-K587 PolarHBondContact O-N 3.05Å; D581-K587 IonicContact OD2-NZ 2.7Å; D581-K587 PolarHBondContact OD2-NZ 2.57Å
582	S	78.9	Confident	81.5	Confident	10 Å²	10	41.6 Å²	41.6	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-69.8	-38.9	176	-52.2	0	0	0	0	110.5	F579 H580 M586 K587 P588	F579-S582 WeakPolarHBondContact O-CA 3.2Å; F579-S582 WeakPolarHBondContact O-CB 3.5Å; F579-S582 PolarHBondContact O-N 3.03Å; H580-S582 VanDerWaalsContact C-N 3.26Å; H580-S582 PolarHBondContact O-N 3.04Å; S582-M586 WeakPolarHBondContact O-CA 3.29Å; S582-K587 WeakPolarHBondContact CA-O 3.42Å; S582-K587 WeakPolarHBondContact CB-O 3.38Å; S582-P588 PolarHBondContact OG-O 3.03Å
583	C	73.2	Confident	82.7	Confident	20 Å²	20	37.1 Å²	37.1	14%	0.135	20%	0.203	C	C	.	.	H	α-helix	trans	-71.8	-42.3	177.6	-62.9	0	0	0	0	112.5	L575 F579 H580 L674	L575-C583 HydrophobicContact CD1-CB 4.17Å; L575-C583 HydrophobicContact CD2-CB 4.25Å; F579-C583 PolarHBondContact O-N 3.36Å; F579-C583 PolarHBondContact O-SG 2.81Å; H580-C583 PolarHBondContact O-N 2.7Å; H580-C583 VanDerWaalsContact O-N 3.15Å; C583-L674 HydrophobicContact CB-CD2 3.95Å
584	L	72.1	Confident	83.8	Confident	53 Å²	53	36.9 Å²	36.9	28%	0.277	19%	0.194	S	C	.	.	H	α-helix	trans	-94.4	-42.8	-172.3	-61.1	-167.6	0	0	0	114.3	M567 E572 L575 H580	M567-L584 HydrophobicContact CE-CD2 3.1Å; E572-L584 HydrophobicContact CG-CD1 4.32Å; L575-L584 HydrophobicContact CD1-CD1 4.41Å; L575-L584 HydrophobicContact CD1-CD2 3.7Å; L575-L584 HydrophobicContact CD1-CG 3.97Å; H580-L584 WeakPolarHBondContact CE1-CD1 3.39Å; H580-L584 VanDerWaalsContact NE2-CD1 3.3Å; H580-L584 WeakPolarHBondContact NE2-CD1 3.46Å; H580-L584 WeakPolarHBondContact O-CG 3.34Å; H580-L584 PolarHBondContact O-N 3.08Å
585	L	67.9	Low	84.5	Confident	98 Å²	98	37 Å²	37	51%	0.513	20%	0.195	S	C	.	.	S	Bend	trans	-100.4	4.8	-173.3	-54.1	176.7	0	0	0	112	D581 K587	D581-L585 HydrophobicContact CB-CD1 4.21Å; D581-L585 CarbonylContact O-C 3.6Å; D581-L585 WeakPolarHBondContact O-CA 3.5Å; D581-L585 VanDerWaalsContact O-CB 3.27Å; D581-L585 WeakPolarHBondContact O-CB 3.27Å; D581-L585 PolarHBondContact O-N 3.22Å; L585-K587 HydrophobicContact CB-CG 4.26Å; L585-K587 PolarHBondContact O-N 3.46Å; L585-K587 VanDerWaalsContact O-N 3.16Å
586	M	69.8	Low	84.8	Confident	52 Å²	52	38.9 Å²	38.9	26%	0.256	21%	0.205	S	C	.	.			trans	50.3	34.1	-173.4	-56.2	-161.4	81.4	0	0	112.5	M553 I556 D581 S582	M553-M586 WeakPolarHBondContact CE-O 3.4Å; I556-M586 HydrophobicContact CG2-CE 3.33Å; I556-M586 HydrophobicContact CG2-SD 3.97Å; D581-M586 PolarHBondContact O-N 3.18Å; S582-M586 WeakPolarHBondContact O-CA 3.29Å
587	K	78.6	Confident	85	Confident	98 Å²	98	39.9 Å²	39.9	43%	0.426	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-66.1	152.5	169.1	-69.2	-169.9	-167.3	162.7	0	109.5	D581 S582 L585 Y589	D581-K587 HydrophobicContact CB-CD 3.92Å; D581-K587 HydrophobicContact CB-CG 4.41Å; D581-K587 PolarHBondContact O-N 3.05Å; D581-K587 IonicContact OD2-NZ 2.7Å; D581-K587 PolarHBondContact OD2-NZ 2.57Å; S582-K587 WeakPolarHBondContact CA-O 3.42Å; S582-K587 WeakPolarHBondContact CB-O 3.38Å; L585-K587 HydrophobicContact CB-CG 4.26Å; L585-K587 PolarHBondContact O-N 3.46Å; L585-K587 VanDerWaalsContact O-N 3.16Å; K587-Y589 PolarHBondContact O-N 3.28Å
588	P	83.5	Confident	85.4	Confident	41 Å²	41	38.2 Å²	38.2	27%	0.266	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-58.4	137.6	175	-23.2	34.5	0	0	0	111	M553 S582 D613 W659	M553-P588 HydrophobicContact CE-CG 4.37Å; M553-P588 HydrophobicContact CG-CG 4.48Å; M553-P588 HydrophobicContact SD-CG 4.05Å; S582-P588 PolarHBondContact OG-O 3.03Å; P588-D613 VanDerWaalsContact CA-OD2 3.32Å; P588-D613 WeakPolarHBondContact CA-OD2 3.15Å; P588-W659 HydrophobicContact CB-CH2 3.99Å; P588-W659 HydrophobicContact CG-CH2 4.05Å
589	Y	90.5	Very high	85.8	Confident	13 Å²	13	35.8 Å²	35.8	5%	0.051	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-65.4	145.2	175.9	-77.9	-109.5	0	0	0	110.2	F579 K587 L612 D613 P672 P673 V675	F579-Y589 HydrophobicContact CB-CE1 4.47Å; F579-Y589 AromaticContact CD1-CD1 3.52Å; F579-Y589 HydrophobicContact CD1-CD1 3.52Å; F579-Y589 AromaticContact CD1-CE1 3.96Å; F579-Y589 HydrophobicContact CD1-CE1 3.96Å; F579-Y589 HydrophobicContact CE1-CD1 4.07Å; K587-Y589 PolarHBondContact O-N 3.28Å; Y589-L612 HydrophobicContact CD1-CB 3.62Å; Y589-L612 HydrophobicContact CD1-CD1 3.66Å; Y589-L612 HydrophobicContact CD1-CG 4.08Å; Y589-L612 HydrophobicContact CE1-CB 3.99Å; Y589-L612 HydrophobicContact CE1-CD1 3.72Å; Y589-L612 HydrophobicContact CE1-CG 4.46Å; Y589-L612 HydrophobicContact CG-CB 3.91Å; Y589-D613 HydrophobicContact CD2-CB 4.08Å; Y589-D613 PolarHBondContact N-OD2 3.28Å; Y589-P672 HydrophobicContact CD2-CB 4.1Å; Y589-P672 HydrophobicContact CD2-CG 4.49Å; Y589-P672 HydrophobicContact CE2-CB 3.42Å; Y589-P672 VanDerWaalsContact CE2-CB 3.42Å; Y589-P672 HydrophobicContact CE2-CG 4.02Å; Y589-P673 PolarHBondContact OH-O 2.85Å; Y589-V675 HydrophobicContact CE1-CG2 4.1Å
590	P	90.9	Very high	86	Confident	37 Å²	37	38.4 Å²	38.4	24%	0.24	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-62.5	143.6	177.4	27.1	-34.5	0	0	0	110.4	L519 L578 F579 S611	L519-P590 HydrophobicContact CD1-CB 3.81Å; L519-P590 HydrophobicContact CD1-CG 3.71Å; L519-P590 HydrophobicContact CD2-CG 4.27Å; L578-P590 HydrophobicContact CG-CG 4.47Å; F579-P590 HydrophobicContact CD1-CG 3.95Å; F579-P590 HydrophobicContact CE1-CG 3.49Å; F579-P590 VanDerWaalsContact CE1-CG 3.49Å; F579-P590 HydrophobicContact CZ-CG 4.14Å; P590-S611 WeakPolarHBondContact O-CB 3.41Å
591	L	93	Very high	86.1	Confident	15 Å²	15	44 Å²	44	8%	0.079	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-78.6	140.3	176.1	-65.9	-163.6	0	0	0	111.2	I545 Y593 S610 S611 K614 H657	I545-L591 HydrophobicContact CD1-CD1 3.01Å; I545-L591 HydrophobicContact CD1-CG 3.93Å; I545-L591 HydrophobicContact CG1-CD1 4.48Å; L591-Y593 HydrophobicContact CB-CE2 4.02Å; L591-Y593 WeakPolarHBondContact O-CE2 3.32Å; L591-S610 WeakPolarHBondContact CA-O 3.14Å; L591-S611 WeakPolarHBondContact CD2-OG 3.33Å; L591-K614 HydrophobicContact CD2-CD 4.16Å; L591-H657 VanDerWaalsContact CD1-CE1 3.42Å; L591-H657 WeakPolarHBondContact CD1-CE1 3.27Å
592	S	94.7	Very high	86.7	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.4	160.4	-174.9	0	0	0	0	109.4	K520 S609 S610	K520-S592 WeakPolarHBondContact CB-OG 3.34Å; K520-S592 PolarHBondContact N-OG 2.94Å; K520-S592 PolarHBondContact O-OG 2.89Å; S592-S609 VanDerWaalsContact O-CA 3.23Å; S592-S609 WeakPolarHBondContact O-CA 3.27Å; S592-S610 PolarHBondContact N-O 3.25Å; S592-S610 PolarHBondContact O-N 3.25Å
593	Y	95.8	Very high	87.3	Confident	15 Å²	15	41.8 Å²	41.8	6%	0.059	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	152.1	-174.2	-58.1	-94.1	0	0	0	112	K520 H521 T540 L543 L591 E608	K520-Y593 WeakPolarHBondContact CB-O 3.25Å; K520-Y593 WeakPolarHBondContact CD-O 3.3Å; K520-Y593 WeakPolarHBondContact CG-O 3.35Å; K520-Y593 PolarHBondContact O-N 2.89Å; H521-Y593 AromaticContact CE1-CE2 3.86Å; H521-Y593 AromaticContact ND1-CD2 3.55Å; H521-Y593 AromaticContact ND1-CE2 3.72Å; T540-Y593 HydrophobicContact CG2-CD1 3.74Å; T540-Y593 HydrophobicContact CG2-CD2 3.97Å; T540-Y593 HydrophobicContact CG2-CE1 4.09Å; T540-Y593 HydrophobicContact CG2-CE2 4.3Å; T540-Y593 HydrophobicContact CG2-CG 3.67Å; L543-Y593 HydrophobicContact CD2-CE1 4.08Å; L591-Y593 HydrophobicContact CB-CE2 4.02Å; L591-Y593 WeakPolarHBondContact O-CE2 3.32Å; Y593-E608 CarbonylContact C-O 3.56Å; Y593-E608 VanDerWaalsContact CA-O 3.3Å; Y593-E608 WeakPolarHBondContact CA-O 3.34Å
594	Q	94.8	Very high	88.2	Confident	68 Å²	68	40.8 Å²	40.8	32%	0.318	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.5	170.1	178.4	175.3	-15.8	0	0	108.6	E511 L607 E608	E511-Q594 WeakPolarHBondContact OE1-CG 3.38Å; Q594-L607 CarbonylContact O-C 3.33Å; Q594-L607 WeakPolarHBondContact O-CA 3.26Å; Q594-E608 HydrophobicContact CB-CB 4.33Å; Q594-E608 PolarHBondContact N-O 3.17Å; Q594-E608 PolarHBondContact O-N 3.27Å
595	L	94.7	Very high	89.3	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.2	-179.5	176.3	51.2	0	0	0	109.2	W500 E511 I522 F598 M605 L607	W500-L595 HydrophobicContact CD2-CD2 3.77Å; W500-L595 HydrophobicContact CD2-CG 4.4Å; W500-L595 HydrophobicContact CE3-CD2 3.28Å; W500-L595 HydrophobicContact CE3-CG 4.08Å; W500-L595 HydrophobicContact CH2-CB 3.82Å; W500-L595 HydrophobicContact CH2-CD2 3.54Å; W500-L595 HydrophobicContact CH2-CG 3.33Å; W500-L595 HydrophobicContact CZ2-CD2 3.96Å; W500-L595 HydrophobicContact CZ2-CG 3.66Å; W500-L595 HydrophobicContact CZ3-CB 4.05Å; W500-L595 HydrophobicContact CZ3-CD2 3.19Å; W500-L595 HydrophobicContact CZ3-CG 3.58Å; E511-L595 HydrophobicContact CG-CB 4.25Å; E511-L595 PolarHBondContact OE1-N 2.92Å; I522-L595 HydrophobicContact CD1-CB 3.72Å; I522-L595 HydrophobicContact CG1-CB 4.49Å; I522-L595 HydrophobicContact CG2-CD2 4.29Å; L595-F598 HydrophobicContact CD1-CB 4.3Å; L595-M605 HydrophobicContact CD1-CE 4.38Å; L595-M605 HydrophobicContact CD1-CG 3.33Å; L595-M605 HydrophobicContact CD1-SD 3.93Å; L595-M605 HydrophobicContact CD2-CE 4.19Å; L595-M605 HydrophobicContact CD2-SD 4.46Å; L595-L607 HydrophobicContact CB-CD2 3.99Å; L595-L607 HydrophobicContact CD1-CD2 3.53Å; L595-L607 HydrophobicContact CG-CD2 4.31Å
596	N	93.7	Very high	90.7	Very high	39 Å²	39	33.6 Å²	33.6	21%	0.209	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-52.9	-178.3	-170.6	-69.9	0	0	0	110.7	I38 I606 E608	I38-N596 WeakPolarHBondContact CB-OD1 3.44Å; N596-I606 HydrophobicContact CB-CG2 4.35Å; N596-I606 PolarHBondContact N-O 3.14Å; N596-E608 HydrophobicContact CB-CG 4.44Å; N596-E608 PolarHBondContact ND2-OE1 3.28Å
597	T	94.7	Very high	91.9	Very high	25 Å²	25	31.1 Å²	31.1	15%	0.153	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.2	178.2	-169.7	0	0	0	0	111.3	I38 I40 I606	I38-T597 HydrophobicContact CB-CG2 4.23Å; I38-T597 HydrophobicContact CG2-CG2 4.16Å; I38-T597 WeakPolarHBondContact O-CG2 3.35Å; I40-T597 HydrophobicContact CD1-CG2 3.9Å; I40-T597 HydrophobicContact CG1-CG2 4.1Å; T597-I606 HydrophobicContact CG2-CB 3.83Å; T597-I606 HydrophobicContact CG2-CG1 3.66Å; T597-I606 PolarHBondContact O-N 2.9Å
598	F	95.2	Very high	92.6	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.066	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	121	177.1	-178.9	-145	0	0	0	109.7	W500 Y509 L595 I600 I604 M605 V623	W500-F598 HydrophobicContact CB-CD1 3.89Å; W500-F598 HydrophobicContact CD2-CB 4.45Å; W500-F598 HydrophobicContact CG-CB 4.09Å; W500-F598 HydrophobicContact CG-CD1 4.11Å; Y509-F598 HydrophobicContact CD1-CE1 4.47Å; Y509-F598 HydrophobicContact CD2-CD1 4.25Å; Y509-F598 AromaticContact CD2-CE1 3.6Å; Y509-F598 HydrophobicContact CD2-CE1 3.6Å; Y509-F598 AromaticContact CE2-CE1 3.66Å; Y509-F598 HydrophobicContact CE2-CE1 3.66Å; Y509-F598 HydrophobicContact CE2-CZ 4.25Å; Y509-F598 HydrophobicContact CG-CD1 4.46Å; Y509-F598 HydrophobicContact CG-CE1 4.03Å; L595-F598 HydrophobicContact CD1-CB 4.3Å; F598-I600 HydrophobicContact CD1-CG1 3.68Å; F598-I600 HydrophobicContact CE1-CB 4.41Å; F598-I600 HydrophobicContact CE1-CG1 3.59Å; F598-I600 HydrophobicContact CG-CG1 4.4Å; F598-I600 HydrophobicContact CZ-CG1 4.24Å; F598-I604 WeakPolarHBondContact CD2-O 3.44Å; F598-M605 HydrophobicContact CB-CG 4.49Å; F598-M605 HydrophobicContact CD1-CE 4Å; F598-M605 HydrophobicContact CD2-CB 3.69Å; F598-M605 HydrophobicContact CD2-CE 3.97Å; F598-M605 HydrophobicContact CD2-CG 4.17Å; F598-M605 HydrophobicContact CE1-CE 4.15Å; F598-M605 HydrophobicContact CE2-CB 4.15Å; F598-M605 HydrophobicContact CE2-CE 4.14Å; F598-M605 HydrophobicContact CG-CB 4.46Å; F598-M605 HydrophobicContact CG-CE 3.93Å; F598-M605 HydrophobicContact CG-CG 4.48Å; F598-M605 HydrophobicContact CZ-CE 4.24Å; F598-V623 HydrophobicContact CE2-CB 4.24Å; F598-V623 HydrophobicContact CE2-CG2 3.7Å; F598-V623 HydrophobicContact CZ-CB 4.18Å; F598-V623 HydrophobicContact CZ-CG2 3.81Å
599	N	93.5	Very high	93.2	Very high	29 Å²	29	26 Å²	26	16%	0.155	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	97	170.8	-176.8	-79.1	0	0	0	108.3	I40 N42 Q601 S602 G603 I604	I40-N599 HydrophobicContact CB-CB 4.14Å; I40-N599 HydrophobicContact CD1-CB 3.79Å; I40-N599 HydrophobicContact CG2-CB 4.21Å; N42-N599 PolarHBondContact ND2-OD1 2.81Å; N599-Q601 VanDerWaalsContact C-N 3.25Å; N599-Q601 PolarHBondContact O-N 3.06Å; N599-S602 WeakPolarHBondContact CB-OG 3.48Å; N599-S602 VanDerWaalsContact CG-OG 3.3Å; N599-S602 PolarHBondContact O-N 2.86Å; N599-S602 PolarHBondContact O-OG 2.84Å; N599-S602 WeakPolarHBondContact OD1-CB 3.33Å; N599-S602 PolarHBondContact OD1-N 3.44Å; N599-S602 PolarHBondContact OD1-OG 3.27Å; N599-G603 PolarHBondContact O-N 2.88Å; N599-I604 PolarHBondContact N-O 2.94Å; N599-I604 PolarHBondContact O-N 3.35Å
600	I	91.5	Very high	93.4	Very high	55 Å²	55	25.9 Å²	25.9	28%	0.282	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.5	-175.7	-63	175.5	0	0	0	111.4	W500 V501 D502 F598 S602 G603	W500-I600 HydrophobicContact CB-CD1 4.33Å; V501-I600 WeakPolarHBondContact O-CD1 3.29Å; D502-I600 HydrophobicContact CB-CG2 3.79Å; F598-I600 HydrophobicContact CD1-CG1 3.68Å; F598-I600 HydrophobicContact CE1-CB 4.41Å; F598-I600 HydrophobicContact CE1-CG1 3.59Å; F598-I600 HydrophobicContact CG-CG1 4.4Å; F598-I600 HydrophobicContact CZ-CG1 4.24Å; I600-S602 PolarHBondContact O-N 3.48Å; I600-G603 PolarHBondContact O-N 2.71Å
601	Q	86.4	Confident	93.5	Very high	166 Å²	166	24.1 Å²	24.1	78%	0.776	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-40.7	-177.5	-173.5	-177.1	7.3	0	0	113.3	N599	N599-Q601 VanDerWaalsContact C-N 3.25Å; N599-Q601 PolarHBondContact O-N 3.06Å
602	S	87.1	Confident	93.5	Very high	15 Å²	15	23.9 Å²	23.9	11%	0.105	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-13.8	177.1	59.4	0	0	0	0	113.3	N42 N599 I600 I604	N42-S602 WeakPolarHBondContact OD1-CB 3.23Å; N599-S602 WeakPolarHBondContact CB-OG 3.48Å; N599-S602 VanDerWaalsContact CG-OG 3.3Å; N599-S602 PolarHBondContact O-N 2.86Å; N599-S602 PolarHBondContact O-OG 2.84Å; N599-S602 WeakPolarHBondContact OD1-CB 3.33Å; N599-S602 PolarHBondContact OD1-N 3.44Å; N599-S602 PolarHBondContact OD1-OG 3.27Å; I600-S602 PolarHBondContact O-N 3.48Å; S602-I604 PolarHBondContact O-N 2.79Å; S602-I604 PolarHBondContact OG-N 3.34Å
603	G	91.4	Very high	93.2	Very high	10 Å²	10	24 Å²	24	10%	0.103	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	10.4	-169.2	0	0	0	0	0	113.8	N599 I600 Q622 V623	N599-G603 PolarHBondContact O-N 2.88Å; I600-G603 PolarHBondContact O-N 2.71Å; G603-Q622 CarbonylContact O-C 3.55Å; G603-Q622 WeakPolarHBondContact O-CA 3.47Å; G603-V623 PolarHBondContact O-N 2.87Å
604	I	93.6	Very high	92.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120	-179.3	-62.8	-54.4	0	0	0	111.4	I40 L50 L77 F598 N599 S602 I606 I620 C621 Q622 I651	I40-I604 HydrophobicContact CD1-CB 4.23Å; I40-I604 HydrophobicContact CD1-CG2 3.83Å; I40-I604 WeakPolarHBondContact CD1-O 3.34Å; L50-I604 HydrophobicContact CD2-CD1 3.6Å; L50-I604 HydrophobicContact CD2-CG1 4.02Å; L77-I604 HydrophobicContact CD2-CD1 4.05Å; L77-I604 HydrophobicContact CD2-CG1 4.29Å; L77-I604 HydrophobicContact CD2-CG2 4.39Å; F598-I604 WeakPolarHBondContact CD2-O 3.44Å; N599-I604 PolarHBondContact N-O 2.94Å; N599-I604 PolarHBondContact O-N 3.35Å; S602-I604 PolarHBondContact O-N 2.79Å; S602-I604 PolarHBondContact OG-N 3.34Å; I604-I606 HydrophobicContact CG2-CD1 4.29Å; I604-I620 HydrophobicContact CG2-CG2 3.98Å; I604-C621 WeakPolarHBondContact CA-O 3.31Å; I604-Q622 HydrophobicContact CD1-CB 4.11Å; I604-Q622 HydrophobicContact CD1-CG 4.2Å; I604-I651 HydrophobicContact CD1-CD1 3.69Å
605	M	95.1	Very high	92.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.5	-179.7	-172.7	178.4	-78.7	0	0	110.4	Y509 I522 L595 F598 L607 C621 V623 L648	Y509-M605 HydrophobicContact CD1-CE 4.08Å; Y509-M605 HydrophobicContact CG-CE 4.46Å; I522-M605 HydrophobicContact CG2-SD 4.25Å; L595-M605 HydrophobicContact CD1-CE 4.38Å; L595-M605 HydrophobicContact CD1-CG 3.33Å; L595-M605 HydrophobicContact CD1-SD 3.93Å; L595-M605 HydrophobicContact CD2-CE 4.19Å; L595-M605 HydrophobicContact CD2-SD 4.46Å; F598-M605 HydrophobicContact CB-CG 4.49Å; F598-M605 HydrophobicContact CD1-CE 4Å; F598-M605 HydrophobicContact CD2-CB 3.69Å; F598-M605 HydrophobicContact CD2-CE 3.97Å; F598-M605 HydrophobicContact CD2-CG 4.17Å; F598-M605 HydrophobicContact CE1-CE 4.15Å; F598-M605 HydrophobicContact CE2-CB 4.15Å; F598-M605 HydrophobicContact CE2-CE 4.14Å; F598-M605 HydrophobicContact CG-CB 4.46Å; F598-M605 HydrophobicContact CG-CE 3.93Å; F598-M605 HydrophobicContact CG-CG 4.48Å; F598-M605 HydrophobicContact CZ-CE 4.24Å; M605-L607 HydrophobicContact CG-CD2 3.78Å; M605-L607 HydrophobicContact CG-CG 4.09Å; M605-L607 HydrophobicContact SD-CD1 4.33Å; M605-L607 HydrophobicContact SD-CD2 3.76Å; M605-L607 HydrophobicContact SD-CG 4.22Å; M605-C621 HydrophobicContact CB-CB 4.48Å; M605-C621 PolarHBondContact N-O 2.99Å; M605-C621 PolarHBondContact O-N 3.1Å; M605-V623 HydrophobicContact CB-CG2 4.26Å; M605-V623 HydrophobicContact CE-CG2 3.78Å; M605-V623 HydrophobicContact SD-CG2 4.41Å; M605-L648 HydrophobicContact CB-CD1 4.25Å; M605-L648 HydrophobicContact SD-CD1 3.7Å
606	I	95.6	Very high	92.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.2	176.5	-53.3	-66.7	0	0	0	109	I38 I40 I54 N596 T597 I604 I618 Q619 I620	I38-I606 HydrophobicContact CD1-CG2 3.82Å; I38-I606 HydrophobicContact CG2-CG1 4.33Å; I38-I606 HydrophobicContact CG2-CG2 4.41Å; I40-I606 HydrophobicContact CD1-CG1 4Å; I40-I606 HydrophobicContact CG1-CG1 4.28Å; I54-I606 HydrophobicContact CD1-CD1 3.92Å; N596-I606 HydrophobicContact CB-CG2 4.35Å; N596-I606 PolarHBondContact N-O 3.14Å; T597-I606 HydrophobicContact CG2-CB 3.83Å; T597-I606 HydrophobicContact CG2-CG1 3.66Å; T597-I606 PolarHBondContact O-N 2.9Å; I604-I606 HydrophobicContact CG2-CD1 4.29Å; I606-I618 HydrophobicContact CG2-CG2 3.52Å; I606-Q619 WeakPolarHBondContact CA-O 3.3Å; I606-I620 HydrophobicContact CD1-CB 4.08Å; I606-I620 HydrophobicContact CD1-CG1 3.7Å; I606-I620 HydrophobicContact CD1-CG2 3.84Å
607	L	95.3	Very high	92.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.3	-177.2	-61.2	-175.3	0	0	0	111	I522 T540 L543 Q594 L595 M605 I618 Q619 L648	I522-L607 HydrophobicContact CD1-CD2 4.35Å; I522-L607 HydrophobicContact CG1-CD1 4.36Å; I522-L607 HydrophobicContact CG1-CD2 3.8Å; T540-L607 HydrophobicContact CG2-CD1 4Å; L543-L607 HydrophobicContact CD2-CD1 4.41Å; Q594-L607 CarbonylContact O-C 3.33Å; Q594-L607 WeakPolarHBondContact O-CA 3.26Å; L595-L607 HydrophobicContact CB-CD2 3.99Å; L595-L607 HydrophobicContact CD1-CD2 3.53Å; L595-L607 HydrophobicContact CG-CD2 4.31Å; M605-L607 HydrophobicContact CG-CD2 3.78Å; M605-L607 HydrophobicContact CG-CG 4.09Å; M605-L607 HydrophobicContact SD-CD1 4.33Å; M605-L607 HydrophobicContact SD-CD2 3.76Å; M605-L607 HydrophobicContact SD-CG 4.22Å; L607-I618 CarbonylContact O-C 3.57Å; L607-I618 WeakPolarHBondContact O-CA 3.47Å; L607-Q619 HydrophobicContact CB-CB 4.45Å; L607-Q619 PolarHBondContact N-O 3.36Å; L607-Q619 PolarHBondContact O-N 3.47Å; L607-L648 HydrophobicContact CD1-CD2 3.51Å
608	E	94.9	Very high	92.6	Very high	28 Å²	28	18.3 Å²	18.3	13%	0.131	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.3	161.2	-64	-175.5	-153.7	0	0	108.9	Y593 Q594 N596 V616 G617 I618	Y593-E608 CarbonylContact C-O 3.56Å; Y593-E608 VanDerWaalsContact CA-O 3.3Å; Y593-E608 WeakPolarHBondContact CA-O 3.34Å; Q594-E608 HydrophobicContact CB-CB 4.33Å; Q594-E608 PolarHBondContact N-O 3.17Å; Q594-E608 PolarHBondContact O-N 3.27Å; N596-E608 HydrophobicContact CB-CG 4.44Å; N596-E608 PolarHBondContact ND2-OE1 3.28Å; E608-V616 HydrophobicContact CB-CG1 4.09Å; E608-V616 HydrophobicContact CG-CG1 4.27Å; E608-G617 CarbonylContact C-O 3.44Å; E608-G617 WeakPolarHBondContact CA-O 3.41Å; E608-I618 HydrophobicContact CG-CD1 4.48Å; E608-I618 HydrophobicContact CG-CG1 4.21Å
609	S	94.8	Very high	92.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	141.3	176.6	55	0	0	0	0	110.4	S592 V616 G617 Q619 H657	S592-S609 VanDerWaalsContact O-CA 3.23Å; S592-S609 WeakPolarHBondContact O-CA 3.27Å; S609-V616 CarbonylContact O-C 3.57Å; S609-V616 WeakPolarHBondContact O-CA 3.32Å; S609-G617 PolarHBondContact N-O 2.87Å; S609-G617 PolarHBondContact O-N 2.83Å; S609-G617 PolarHBondContact OG-O 2.95Å; S609-Q619 PolarHBondContact OG-NE2 2.95Å; S609-H657 PolarHBondContact O-CD2 3.2Å; S609-H657 VanDerWaalsContact O-CD2 3.24Å; S609-H657 PolarHBondContact O-NE2 2.87Å; S609-H657 PolarHBondContact OG-CE1 2.87Å; S609-H657 VanDerWaalsContact OG-CE1 3.26Å; S609-H657 PolarHBondContact OG-NE2 3.08Å
610	S	94.5	Very high	92.5	Very high	12 Å²	12	16.3 Å²	16.3	8%	0.084	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	168.7	177.5	63.4	0	0	0	0	111	L591 S592 Y773	L591-S610 WeakPolarHBondContact CA-O 3.14Å; S592-S610 PolarHBondContact N-O 3.25Å; S592-S610 PolarHBondContact O-N 3.25Å; S610-Y773 PolarHBondContact OG-N 2.85Å; S610-Y773 VanDerWaalsContact OG-N 3.1Å
611	S	93.7	Very high	92.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	178.9	178.3	49.2	0	0	0	0	110.2	P590 L591 D613 K614 G771 Y773	P590-S611 WeakPolarHBondContact O-CB 3.41Å; L591-S611 WeakPolarHBondContact CD2-OG 3.33Å; S611-D613 WeakPolarHBondContact CB-OD1 3.38Å; S611-D613 PolarHBondContact O-N 3.46Å; S611-D613 PolarHBondContact OG-OD1 2.81Å; S611-K614 PolarHBondContact N-O 3.38Å; S611-K614 PolarHBondContact O-N 2.7Å; S611-K614 WeakPolarHBondContact OG-CB 3Å; S611-K614 PolarHBondContact OG-N 3.46Å; S611-G771 WeakPolarHBondContact CA-O 3.47Å; S611-Y773 PolarHBondContact O-N 3.34Å
612	L	92.7	Very high	92.9	Very high	10 Å²	10	7.9 Å²	7.9	5%	0.052	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.2	178.6	-65.7	174.8	0	0	0	114.6	F579 Y589 H660 P673 V675 R770	F579-L612 HydrophobicContact CE1-CD1 4.39Å; Y589-L612 HydrophobicContact CD1-CB 3.62Å; Y589-L612 HydrophobicContact CD1-CD1 3.66Å; Y589-L612 HydrophobicContact CD1-CG 4.08Å; Y589-L612 HydrophobicContact CE1-CB 3.99Å; Y589-L612 HydrophobicContact CE1-CD1 3.72Å; Y589-L612 HydrophobicContact CE1-CG 4.46Å; Y589-L612 HydrophobicContact CG-CB 3.91Å; L612-H660 PolarHBondContact O-CE1 3.08Å; L612-H660 PolarHBondContact O-ND1 2.81Å; L612-P673 HydrophobicContact CB-CG 4.45Å; L612-P673 HydrophobicContact CD1-CG 4.02Å; L612-P673 HydrophobicContact CD2-CG 4.2Å; L612-P673 HydrophobicContact CG-CG 4.46Å; L612-V675 HydrophobicContact CD1-CG2 3.53Å; L612-R770 WeakPolarHBondContact CD2-O 3.5Å
613	D	89.2	Confident	93.2	Very high	12 Å²	12	7.8 Å²	7.8	6%	0.064	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-2.3	177.4	60	-3.5	0	0	0	113.9	P588 Y589 S611 W659 H660 P672	P588-D613 VanDerWaalsContact CA-OD2 3.32Å; P588-D613 WeakPolarHBondContact CA-OD2 3.15Å; Y589-D613 HydrophobicContact CD2-CB 4.08Å; Y589-D613 PolarHBondContact N-OD2 3.28Å; S611-D613 WeakPolarHBondContact CB-OD1 3.38Å; S611-D613 PolarHBondContact O-N 3.46Å; S611-D613 PolarHBondContact OG-OD1 2.81Å; D613-W659 HydrophobicContact CB-CE3 4.36Å; D613-W659 HydrophobicContact CB-CZ3 4.24Å; D613-W659 WeakPolarHBondContact OD2-CZ3 3.22Å; D613-H660 VanDerWaalsContact C-CG 3.48Å; D613-H660 WeakPolarHBondContact CA-ND1 3.32Å; D613-H660 PolarHBondContact O-N 3.33Å; D613-P672 HydrophobicContact CB-CB 4.42Å; D613-P672 HydrophobicContact CB-CG 3.7Å
614	K	89.5	Confident	93.1	Very high	7 Å²	7	10.4 Å²	10.4	3%	0.03	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.6	-178.9	-63.4	171	-178.3	176.4	0	111.4	N547 L591 S611 H657 W659	N547-K614 PolarHBondContact OD1-NZ 3.4Å; L591-K614 HydrophobicContact CD2-CD 4.16Å; S611-K614 PolarHBondContact N-O 3.38Å; S611-K614 PolarHBondContact O-N 2.7Å; S611-K614 WeakPolarHBondContact OG-CB 3Å; S611-K614 PolarHBondContact OG-N 3.46Å; K614-H657 HydrophobicContact CB-CB 4.33Å; K614-H657 HydrophobicContact CD-CB 4.24Å; K614-W659 HydrophobicContact CD-CZ3 4.49Å; K614-W659 HydrophobicContact CG-CD2 3.97Å; K614-W659 HydrophobicContact CG-CE3 3.78Å; K614-W659 HydrophobicContact CG-CZ3 4.11Å
615	L	90.8	Very high	92.8	Very high	5 Å²	5	12.4 Å²	12.4	3%	0.026	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	161.1	164.5	-56.2	-174.8	0	0	0	110.2	I32 G617 H657 V658 H660 A663 Y773 F778	I32-L615 HydrophobicContact CD1-CD1 3.28Å; I32-L615 HydrophobicContact CG1-CD1 4.49Å; I32-L615 HydrophobicContact CG2-CD1 4.17Å; L615-G617 PolarHBondContact O-N 3.01Å; L615-H657 PolarHBondContact O-CD2 3.41Å; L615-V658 HydrophobicContact CB-CB 4.28Å; L615-V658 WeakPolarHBondContact CB-O 3.33Å; L615-V658 HydrophobicContact CD1-CB 4.09Å; L615-V658 HydrophobicContact CD1-CG1 4.17Å; L615-V658 HydrophobicContact CG-CB 4.41Å; L615-V658 WeakPolarHBondContact CG-O 3.22Å; L615-V658 PolarHBondContact N-O 3.14Å; L615-H660 PolarHBondContact N-CD2 3.31Å; L615-H660 PolarHBondContact N-NE2 2.91Å; L615-A663 HydrophobicContact CD1-CB 3.66Å; L615-A663 HydrophobicContact CG-CB 4.32Å; L615-Y773 HydrophobicContact CD2-CD1 4.33Å; L615-Y773 HydrophobicContact CD2-CD2 3.62Å; L615-Y773 HydrophobicContact CD2-CE1 3.97Å; L615-Y773 HydrophobicContact CD2-CE2 3.22Å; L615-Y773 HydrophobicContact CD2-CG 4.15Å; L615-F778 HydrophobicContact CD2-CE1 4.39Å
616	V	92.1	Very high	92	Very high	19 Å²	19	16.9 Å²	16.9	12%	0.115	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.5	139.5	178.2	-177.1	0	0	0	0	111.8	E608 S609 I618 R655 Y773	E608-V616 HydrophobicContact CB-CG1 4.09Å; E608-V616 HydrophobicContact CG-CG1 4.27Å; S609-V616 CarbonylContact O-C 3.57Å; S609-V616 WeakPolarHBondContact O-CA 3.32Å; V616-I618 HydrophobicContact CG1-CG1 4.26Å; V616-R655 PolarHBondContact O-NH1 2.89Å; V616-R655 PolarHBondContact O-NH2 2.79Å; V616-Y773 HydrophobicContact CG2-CD1 3.99Å
617	G	93.1	Very high	90.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.9	164.8	0	0	0	0	0	108.2	E608 S609 L615 R655 H657	E608-G617 CarbonylContact C-O 3.44Å; E608-G617 WeakPolarHBondContact CA-O 3.41Å; S609-G617 PolarHBondContact N-O 2.87Å; S609-G617 PolarHBondContact O-N 2.83Å; S609-G617 PolarHBondContact OG-O 2.95Å; L615-G617 PolarHBondContact O-N 3.01Å; G617-R655 CarbonylContact C-O 3.57Å; G617-R655 VanDerWaalsContact CA-O 3.29Å; G617-R655 WeakPolarHBondContact CA-O 3.42Å; G617-H657 WeakPolarHBondContact CA-CD2 3.49Å; G617-H657 PolarHBondContact N-CD2 3.18Å
618	I	95.1	Very high	88.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.2	-175.6	-51.4	-171.2	0	0	0	108.5	P35 I38 I606 L607 E608 V616 L654 R655	P35-I618 HydrophobicContact CB-CD1 3.65Å; P35-I618 HydrophobicContact CG-CD1 3.8Å; I38-I618 HydrophobicContact CD1-CD1 4.15Å; I38-I618 HydrophobicContact CD1-CG2 4Å; I606-I618 HydrophobicContact CG2-CG2 3.52Å; L607-I618 CarbonylContact O-C 3.57Å; L607-I618 WeakPolarHBondContact O-CA 3.47Å; E608-I618 HydrophobicContact CG-CD1 4.48Å; E608-I618 HydrophobicContact CG-CG1 4.21Å; V616-I618 HydrophobicContact CG1-CG1 4.26Å; I618-L654 HydrophobicContact CB-CB 4.11Å; I618-L654 HydrophobicContact CG2-CB 3.92Å; I618-L654 HydrophobicContact CG2-CD2 4.1Å; I618-L654 PolarHBondContact O-N 2.98Å; I618-R655 HydrophobicContact CB-CB 4.26Å; I618-R655 HydrophobicContact CG1-CB 4.28Å; I618-R655 PolarHBondContact N-O 3.17Å; I618-R655 PolarHBondContact O-N 2.64Å
619	Q	93.1	Very high	86.2	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.3	-177.8	-62.9	-176.1	36.9	0	0	110.2	L543 I606 L607 S609 H650 W653	L543-Q619 VanDerWaalsContact CD2-OE1 3.25Å; I606-Q619 WeakPolarHBondContact CA-O 3.3Å; L607-Q619 HydrophobicContact CB-CB 4.45Å; L607-Q619 PolarHBondContact N-O 3.36Å; L607-Q619 PolarHBondContact O-N 3.47Å; S609-Q619 PolarHBondContact OG-NE2 2.95Å; Q619-H650 PolarHBondContact OE1-ND1 3.36Å; Q619-W653 HydrophobicContact CB-CZ3 4.5Å; Q619-W653 HydrophobicContact CG-CD2 4.34Å; Q619-W653 HydrophobicContact CG-CE3 3.71Å; Q619-W653 HydrophobicContact CG-CH2 3.43Å; Q619-W653 VanDerWaalsContact CG-CH2 3.43Å; Q619-W653 HydrophobicContact CG-CZ2 4.04Å; Q619-W653 HydrophobicContact CG-CZ3 3.25Å
620	I	93.6	Very high	83.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120	169.6	-51.7	172.1	0	0	0	106	I54 L77 L87 I604 I606 I651 A652 L654	I54-I620 HydrophobicContact CD1-CD1 3.43Å; I54-I620 VanDerWaalsContact CD1-CD1 3.43Å; I54-I620 HydrophobicContact CD1-CG1 4.05Å; I54-I620 HydrophobicContact CD1-CG2 4.35Å; L77-I620 HydrophobicContact CD1-CD1 4.34Å; L77-I620 HydrophobicContact CD1-CG2 4.21Å; L77-I620 HydrophobicContact CD2-CG2 3.77Å; L87-I620 HydrophobicContact CD1-CD1 3.32Å; L87-I620 HydrophobicContact CG-CD1 3.87Å; I604-I620 HydrophobicContact CG2-CG2 3.98Å; I606-I620 HydrophobicContact CD1-CB 4.08Å; I606-I620 HydrophobicContact CD1-CG1 3.7Å; I606-I620 HydrophobicContact CD1-CG2 3.84Å; I620-I651 HydrophobicContact CB-CG1 4.3Å; I620-I651 HydrophobicContact CG2-CD1 3.93Å; I620-I651 HydrophobicContact CG2-CG1 3.93Å; I620-I651 WeakPolarHBondContact O-CG1 3.3Å; I620-I651 PolarHBondContact O-N 3.23Å; I620-A652 WeakPolarHBondContact CA-O 3.27Å; I620-A652 HydrophobicContact CB-CB 4.29Å; I620-A652 WeakPolarHBondContact CB-O 3.49Å; I620-A652 HydrophobicContact CD1-CB 4.06Å; I620-A652 PolarHBondContact N-O 3.48Å; I620-A652 PolarHBondContact O-N 2.96Å; I620-L654 HydrophobicContact CD1-CB 4.26Å; I620-L654 HydrophobicContact CG1-CB 4.32Å
621	C	93.1	Very high	80.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.3	-178.5	-57.7	0	0	0	0	110.2	I604 M605 L648 Q649	I604-C621 WeakPolarHBondContact CA-O 3.31Å; M605-C621 HydrophobicContact CB-CB 4.48Å; M605-C621 PolarHBondContact N-O 2.99Å; M605-C621 PolarHBondContact O-N 3.1Å; C621-L648 HydrophobicContact CB-CD1 3.43Å; C621-L648 VanDerWaalsContact CB-CD1 3.43Å; C621-L648 HydrophobicContact CB-CD2 4.26Å; C621-L648 HydrophobicContact CB-CG 3.75Å; C621-Q649 CarbonylContact C-O 3.54Å; C621-Q649 WeakPolarHBondContact CA-O 3.3Å; C621-Q649 WeakPolarHBondContact CB-O 3.39Å
622	Q	92.3	Very high	78.1	Confident	45 Å²	45	53.2 Å²	53.2	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.9	170.1	-171.9	173.3	16.6	0	0	109.4	G603 I604 I624 Q649 I651	G603-Q622 CarbonylContact O-C 3.55Å; G603-Q622 WeakPolarHBondContact O-CA 3.47Å; I604-Q622 HydrophobicContact CD1-CB 4.11Å; I604-Q622 HydrophobicContact CD1-CG 4.2Å; Q622-I624 HydrophobicContact CG-CG1 4.21Å; Q622-Q649 PolarHBondContact N-O 3.43Å; Q622-Q649 PolarHBondContact O-N 3.37Å; Q622-I651 HydrophobicContact CB-CD1 4.24Å; Q622-I651 HydrophobicContact CB-CG2 4.1Å
623	V	92.9	Very high	75.6	Confident	13 Å²	13	60.1 Å²	60.1	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.6	170.3	-178.4	0	0	0	0	108.2	Y509 F598 G603 M605 P646 I647 L648	Y509-V623 HydrophobicContact CE1-CG1 4.05Å; F598-V623 HydrophobicContact CE2-CB 4.24Å; F598-V623 HydrophobicContact CE2-CG2 3.7Å; F598-V623 HydrophobicContact CZ-CB 4.18Å; F598-V623 HydrophobicContact CZ-CG2 3.81Å; G603-V623 PolarHBondContact O-N 2.87Å; M605-V623 HydrophobicContact CB-CG2 4.26Å; M605-V623 HydrophobicContact CE-CG2 3.78Å; M605-V623 HydrophobicContact SD-CG2 4.41Å; V623-P646 HydrophobicContact CG1-CB 3.79Å; V623-I647 WeakPolarHBondContact CA-O 3.42Å; V623-L648 HydrophobicContact CG2-CD1 3.78Å
624	I	90.1	Very high	73	Confident	65 Å²	65	67.1 Å²	67.1	33%	0.333	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.4	177.8	-58.9	172.7	0	0	0	108	Q622 P646 I647 Q649	Q622-I624 HydrophobicContact CG-CG1 4.21Å; I624-P646 WeakPolarHBondContact O-CA 3.41Å; I624-I647 PolarHBondContact N-O 2.96Å; I624-I647 PolarHBondContact O-N 3.33Å; I624-Q649 HydrophobicContact CD1-CB 4.29Å
625	I	88	Confident	70.4	Confident	42 Å²	42	71.2 Å²	71.2	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.1	179.3	-58.3	177.8	0	0	0	108.1	N505 L507 N627 R644	N505-I625 HydrophobicContact CB-CD1 3.67Å; N505-I625 WeakPolarHBondContact ND2-CD1 3.36Å; L507-I625 HydrophobicContact CD1-CD1 4.24Å; I625-N627 PolarHBondContact O-N 3.22Å; I625-R644 HydrophobicContact CG2-CB 3.87Å; I625-R644 HydrophobicContact CG2-CG 4.36Å
626	E	78.3	Confident	67.6	Low	94 Å²	94	79.4 Å²	79.4	44%	0.439	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.9	179.4	-69.8	-170	156	0	0	111.1	N628 K645 I647	E626-N628 PolarHBondContact O-N 2.73Å; E626-K645 PolarHBondContact N-O 2.94Å; E626-I647 HydrophobicContact CG-CD1 3.81Å; E626-I647 HydrophobicContact CG-CG1 4.47Å; E626-I647 WeakPolarHBondContact OE1-CD1 3.46Å
627	N	64	Low	64.8	Low	100 Å²	100	82.6 Å²	82.6	54%	0.535	44%	0.435	S	S	.	.			trans	-85.7	104.5	166	-75.7	-20.6	0	0	0	109	I625 E629	I625-N627 PolarHBondContact O-N 3.22Å; N627-E629 PolarHBondContact O-N 3.38Å
628	N	53.1	Low	61.9	Low	106 Å²	106	89.7 Å²	89.7	57%	0.567	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-68.8	34.2	177	-91.2	-28.2	0	0	0	114.5	E626 K630	E626-N628 PolarHBondContact O-N 2.73Å; N628-K630 VanDerWaalsContact C-N 3.33Å; N628-K630 PolarHBondContact O-N 2.93Å
629	E	46.4	Very low	59	Low	144 Å²	144	98.5 Å²	98.5	67%	0.673	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-75.8	-15.9	-178.2	-69.8	-165.1	147.4	0	0	114.1	N627 N631	N627-E629 PolarHBondContact O-N 3.38Å; E629-N631 PolarHBondContact O-N 3.13Å
630	K	41.2	Very low	56	Low	202 Å²	202	101.1 Å²	101.1	88%	0.878	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-86.7	-1.3	-170.8	-74.5	-174	177.6	176.5	0	117.2	N628	N628-K630 VanDerWaalsContact C-N 3.33Å; N628-K630 PolarHBondContact O-N 2.93Å
631	N	35.2	Very low	53.5	Low	156 Å²	156	105.3 Å²	105.3	83%	0.834	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-110.1	14.4	-179.1	-87.2	-17.3	0	0	0	115.8	E629 N633	E629-N631 PolarHBondContact O-N 3.13Å; N631-N633 PolarHBondContact O-N 3.02Å
632	I	36.6	Very low	51.4	Low	96 Å²	96	111.2 Å²	111.2	49%	0.492	59%	0.588	S	S	.	*			trans	-99	87.3	-176.5	-55.1	169.5	0	0	0	109.4
633	N	39.3	Very low	49.6	Very low	156 Å²	156	112.7 Å²	112.7	83%	0.834	59%	0.594	S	S	*	*	S	Bend	trans	-134.7	3.6	159.8	-94.3	-23	0	0	0	113.7	N631	N631-N633 PolarHBondContact O-N 3.02Å
634	N	34.1	Very low	48.5	Very low	158 Å²	158	117.2 Å²	117.2	85%	0.845	61%	0.61	S	S	*	*	S	Bend	trans	-156.4	79	178.9	-87.5	-33.3	0	0	0	112.9
635	S	36.6	Very low	48.1	Very low	94 Å²	94	119.2 Å²	119.2	66%	0.657	62%	0.616	S	S	*	*			trans	178.7	117	150.5	51.4	0	0	0	0	111.1	S637	S635-S637 PolarHBondContact O-N 3.48Å
636	N	32.1	Very low	48.3	Very low	176 Å²	176	117.4 Å²	117.4	94%	0.941	61%	0.607	S	S	*	*			trans	-73.7	60.9	171.7	-78.8	-24	0	0	0	112.2
637	S	32.9	Very low	48.9	Very low	86 Å²	86	116.2 Å²	116.2	60%	0.601	60%	0.603	S	S	*	*			trans	-107.2	90.8	165.7	70.6	0	0	0	0	109.8	S635 H639	S635-S637 PolarHBondContact O-N 3.48Å; S637-H639 PolarHBondContact O-N 3.12Å
638	I	32.4	Very low	50.2	Low	149 Å²	149	112 Å²	112	76%	0.764	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	121.9	167.3	-60.1	169.2	0	0	0	106.1
639	H	33.4	Very low	52	Low	186 Å²	186	111.7 Å²	111.7	86%	0.861	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	101.5	26.6	179.2	-58.5	-41.6	0	0	0	120.3	S637	S637-H639 PolarHBondContact O-N 3.12Å
640	G	31.3	Very low	54.1	Low	55 Å²	55	105.6 Å²	105.6	57%	0.567	55%	0.547	S	S	*	.			trans	-87.1	110.6	159.7	0	0	0	0	0	111.7	K642	G640-K642 PolarHBondContact O-N 3.01Å; G640-K642 VanDerWaalsContact O-N 3.12Å
641	N	41	Very low	56.3	Low	89 Å²	89	97.3 Å²	97.3	48%	0.476	51%	0.512	S	S	.	.			trans	-57.6	112.3	173	-92.1	-28.9	0	0	0	110.6	N529 H643	N529-N641 PolarHBondContact ND2-ND2 2.87Å; N641-H643 PolarHBondContact O-N 3.43Å; N641-H643 VanDerWaalsContact O-N 3.12Å
642	K	47.6	Very low	59	Low	124 Å²	124	89.9 Å²	89.9	54%	0.539	47%	0.472	S	S	.	.			trans	-76.9	91.6	174.1	-67.3	-179.6	-174.8	177.8	0	109.1	G640 R644	G640-K642 PolarHBondContact O-N 3.01Å; G640-K642 VanDerWaalsContact O-N 3.12Å; K642-R644 PolarHBondContact O-N 3.22Å
643	H	56.1	Low	61.7	Low	75 Å²	75	86.1 Å²	86.1	35%	0.347	45%	0.452	S	S	.	.			trans	-68.3	120.6	173.1	-71.5	-76.7	0	0	0	110.5	N641 K645	N641-H643 PolarHBondContact O-N 3.43Å; N641-H643 VanDerWaalsContact O-N 3.12Å; H643-K645 PolarHBondContact O-N 3.13Å
644	R	69.3	Low	64.3	Low	109 Å²	109	78.7 Å²	78.7	41%	0.411	41%	0.412	S	S	.	.			trans	-69.6	117.5	166.5	-67.4	-176.3	-174.1	168.5	8.5	108	N505 I625 K642	N505-R644 PolarHBondContact OD1-NH1 2.85Å; I625-R644 HydrophobicContact CG2-CB 3.87Å; I625-R644 HydrophobicContact CG2-CG 4.36Å; K642-R644 PolarHBondContact O-N 3.22Å
645	K	82.1	Confident	67	Low	107 Å²	107	71.8 Å²	71.8	47%	0.465	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.7	-178.3	-168.8	177.1	-178.4	-178.8	0	109.4	N537 E626 H643	N537-K645 WeakPolarHBondContact OD1-CE 3.44Å; E626-K645 PolarHBondContact N-O 2.94Å; H643-K645 PolarHBondContact O-N 3.13Å
646	P	90.6	Very high	69.6	Low	4 Å²	4	71.3 Å²	71.3	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.4	171.7	29.2	-33.4	0	0	0	110	L507 Y509 S524 N537 L539 V623 I624	L507-P646 HydrophobicContact CD1-CB 4.26Å; L507-P646 HydrophobicContact CD1-CG 3.97Å; L507-P646 HydrophobicContact CD2-CG 4.48Å; Y509-P646 HydrophobicContact CE1-CB 4.14Å; Y509-P646 HydrophobicContact CE1-CG 4.23Å; S524-P646 WeakPolarHBondContact OG-CG 3.34Å; N537-P646 PolarHBondContact ND2-O 2.69Å; L539-P646 HydrophobicContact CD2-CB 4.28Å; L539-P646 HydrophobicContact CD2-CG 4.13Å; L539-P646 WeakPolarHBondContact CD2-O 3.26Å; V623-P646 HydrophobicContact CG1-CB 3.79Å; I624-P646 WeakPolarHBondContact O-CA 3.41Å
647	I	90.8	Very high	72.4	Confident	68 Å²	68	64.3 Å²	64.3	35%	0.349	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.4	171.9	-60.9	-179.4	0	0	0	107.5	V623 I624 E626	V623-I647 WeakPolarHBondContact CA-O 3.42Å; I624-I647 PolarHBondContact N-O 2.96Å; I624-I647 PolarHBondContact O-N 3.33Å; E626-I647 HydrophobicContact CG-CD1 3.81Å; E626-I647 HydrophobicContact CG-CG1 4.47Å; E626-I647 WeakPolarHBondContact OE1-CD1 3.46Å
648	L	92.1	Very high	74.9	Confident	13 Å²	13	62.1 Å²	62.1	7%	0.068	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.9	175.6	-171.4	74.3	0	0	0	109.2	L539 T540 L543 M605 L607 C621 V623	L539-L648 HydrophobicContact CB-CB 3.98Å; L539-L648 HydrophobicContact CB-CD2 4.2Å; L539-L648 HydrophobicContact CD2-CB 4.5Å; T540-L648 HydrophobicContact CG2-CD2 4.17Å; L543-L648 HydrophobicContact CD1-CD2 4.08Å; L543-L648 HydrophobicContact CD1-CG 4.18Å; L543-L648 HydrophobicContact CD2-CD2 4.04Å; M605-L648 HydrophobicContact CB-CD1 4.25Å; M605-L648 HydrophobicContact SD-CD1 3.7Å; L607-L648 HydrophobicContact CD1-CD2 3.51Å; C621-L648 HydrophobicContact CB-CD1 3.43Å; C621-L648 VanDerWaalsContact CB-CD1 3.43Å; C621-L648 HydrophobicContact CB-CD2 4.26Å; C621-L648 HydrophobicContact CB-CG 3.75Å; V623-L648 HydrophobicContact CG2-CD1 3.78Å
649	Q	90	Very high	77.4	Confident	98 Å²	98	55.9 Å²	55.9	46%	0.458	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.6	177.3	-178.1	176.3	-6.1	0	0	109.8	C621 Q622 I624 I651	C621-Q649 CarbonylContact C-O 3.54Å; C621-Q649 WeakPolarHBondContact CA-O 3.3Å; C621-Q649 WeakPolarHBondContact CB-O 3.39Å; Q622-Q649 PolarHBondContact N-O 3.43Å; Q622-Q649 PolarHBondContact O-N 3.37Å; I624-Q649 HydrophobicContact CD1-CB 4.29Å; Q649-I651 HydrophobicContact CG-CG2 4.32Å
650	H	90.7	Very high	79.9	Confident	17 Å²	17	47.2 Å²	47.2	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.2	170.1	-178.2	78.7	0	0	0	110.2	S83 L543 Q619 A652 W653	S83-H650 PolarHBondContact O-CD2 2.68Å; S83-H650 PolarHBondContact O-NE2 3.01Å; L543-H650 HydrophobicContact CD1-CB 4.02Å; Q619-H650 PolarHBondContact OE1-ND1 3.36Å; H650-A652 PolarHBondContact CE1-O 2.95Å; H650-A652 PolarHBondContact NE2-O 3.24Å; H650-W653 AromaticContact CE1-CD1 3.81Å; H650-W653 AromaticContact CE1-CD2 3.87Å; H650-W653 AromaticContact CE1-CE2 3.56Å; H650-W653 AromaticContact CE1-NE1 3.49Å; H650-W653 PolarHBondContact CE1-NE1 2.88Å; H650-W653 AromaticContact NE2-CD1 3.38Å; H650-W653 AromaticContact NE2-CE2 3.6Å; H650-W653 AromaticContact NE2-NE1 3.04Å; H650-W653 PolarHBondContact NE2-NE1 2.83Å
651	I	88.9	Confident	82.1	Confident	27 Å²	27	48 Å²	48	14%	0.138	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-26.1	-176.2	58	167.8	0	0	0	114.1	L77 I604 I620 Q622 Q649	L77-I651 HydrophobicContact CD1-CD1 4.12Å; L77-I651 HydrophobicContact CD2-CD1 3.8Å; L77-I651 HydrophobicContact CG-CD1 4.42Å; I604-I651 HydrophobicContact CD1-CD1 3.69Å; I620-I651 HydrophobicContact CB-CG1 4.3Å; I620-I651 HydrophobicContact CG2-CD1 3.93Å; I620-I651 HydrophobicContact CG2-CG1 3.93Å; I620-I651 WeakPolarHBondContact O-CG1 3.3Å; I620-I651 PolarHBondContact O-N 3.23Å; Q622-I651 HydrophobicContact CB-CD1 4.24Å; Q622-I651 HydrophobicContact CB-CG2 4.1Å; Q649-I651 HydrophobicContact CG-CG2 4.32Å
652	A	91.3	Very high	83.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	168.2	177.2	0	0	0	0	0	111.4	L77 N81 L87 I620 H650	L77-A652 HydrophobicContact CD1-CB 3.91Å; N81-A652 HydrophobicContact CB-CB 4.41Å; L87-A652 HydrophobicContact CD2-CB 4.01Å; L87-A652 HydrophobicContact CG-CB 4.45Å; I620-A652 WeakPolarHBondContact CA-O 3.27Å; I620-A652 HydrophobicContact CB-CB 4.29Å; I620-A652 WeakPolarHBondContact CB-O 3.49Å; I620-A652 HydrophobicContact CD1-CB 4.06Å; I620-A652 PolarHBondContact N-O 3.48Å; I620-A652 PolarHBondContact O-N 2.96Å; H650-A652 PolarHBondContact CE1-O 2.95Å; H650-A652 PolarHBondContact NE2-O 3.24Å
653	W	92.4	Very high	85.3	Confident	17 Å²	17	41.8 Å²	41.8	6%	0.064	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.1	169.7	-67.3	85.5	0	0	0	110.8	S83 D85 Q86 L87 Q619 H650 R655 K656 H657	S83-W653 PolarHBondContact O-NE1 3.27Å; D85-W653 PolarHBondContact O-N 2.97Å; Q86-W653 CarbonylContact C-O 3.51Å; Q86-W653 VanDerWaalsContact CA-O 3.29Å; Q86-W653 WeakPolarHBondContact CA-O 3.25Å; Q86-W653 HydrophobicContact CB-CB 4.25Å; Q86-W653 HydrophobicContact CG-CB 4.35Å; L87-W653 PolarHBondContact N-O 3.42Å; Q619-W653 HydrophobicContact CB-CZ3 4.5Å; Q619-W653 HydrophobicContact CG-CD2 4.34Å; Q619-W653 HydrophobicContact CG-CE3 3.71Å; Q619-W653 HydrophobicContact CG-CH2 3.43Å; Q619-W653 VanDerWaalsContact CG-CH2 3.43Å; Q619-W653 HydrophobicContact CG-CZ2 4.04Å; Q619-W653 HydrophobicContact CG-CZ3 3.25Å; H650-W653 AromaticContact CE1-CD1 3.81Å; H650-W653 AromaticContact CE1-CD2 3.87Å; H650-W653 AromaticContact CE1-CE2 3.56Å; H650-W653 AromaticContact CE1-NE1 3.49Å; H650-W653 PolarHBondContact CE1-NE1 2.88Å; H650-W653 AromaticContact NE2-CD1 3.38Å; H650-W653 AromaticContact NE2-CE2 3.6Å; H650-W653 AromaticContact NE2-NE1 3.04Å; H650-W653 PolarHBondContact NE2-NE1 2.83Å; W653-R655 VanDerWaalsContact CE3-O 3.25Å; W653-K656 HydrophobicContact CB-CG 3.86Å; W653-K656 HydrophobicContact CD2-CG 3.86Å; W653-K656 HydrophobicContact CE3-CG 4.35Å; W653-K656 HydrophobicContact CG-CG 3.62Å; W653-H657 AromaticContact CH2-CE1 3.37Å; W653-H657 WeakPolarHBondContact CH2-CE1 3.18Å; W653-H657 AromaticContact CH2-ND1 3.4Å; W653-H657 WeakPolarHBondContact CH2-ND1 3.49Å; W653-H657 AromaticContact CZ3-CE1 3.68Å; W653-H657 AromaticContact CZ3-ND1 3.75Å
654	L	93.7	Very high	86.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-39	159.4	-174.8	64.2	0	0	0	109.6	P35 I38 I54 F56 A75 W89 I618 I620	P35-L654 HydrophobicContact CB-CD2 3.79Å; P35-L654 HydrophobicContact CG-CD2 3.94Å; P35-L654 HydrophobicContact CG-CG 4.21Å; I38-L654 HydrophobicContact CD1-CD2 3.94Å; I54-L654 HydrophobicContact CG2-CD2 4.39Å; F56-L654 HydrophobicContact CD1-CD1 4.17Å; F56-L654 HydrophobicContact CD1-CD2 4.05Å; F56-L654 HydrophobicContact CE1-CD1 3.66Å; F56-L654 HydrophobicContact CE1-CD2 4.32Å; F56-L654 HydrophobicContact CE1-CG 4.47Å; F56-L654 HydrophobicContact CG-CD2 4.29Å; F56-L654 HydrophobicContact CZ-CD1 4.05Å; A75-L654 HydrophobicContact CB-CD1 3.8Å; W89-L654 WeakPolarHBondContact CZ2-O 3.44Å; W89-L654 PolarHBondContact NE1-O 3.29Å; I618-L654 HydrophobicContact CB-CB 4.11Å; I618-L654 HydrophobicContact CG2-CB 3.92Å; I618-L654 HydrophobicContact CG2-CD2 4.1Å; I618-L654 PolarHBondContact O-N 2.98Å; I620-L654 HydrophobicContact CD1-CB 4.26Å; I620-L654 HydrophobicContact CG1-CB 4.32Å
655	R	91.9	Very high	86.1	Confident	14 Å²	14	42 Å²	42	5%	0.053	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	121.6	174.9	-174.7	175.4	161.5	-97.7	-25.4	110.1	P33 N34 W89 V616 G617 I618 W653	P33-R655 WeakPolarHBondContact O-CD 3.39Å; P33-R655 PolarHBondContact O-NE 3.39Å; N34-R655 PolarHBondContact OD1-NH1 2.94Å; W89-R655 HydrophobicContact CZ2-CB 4.03Å; W89-R655 HydrophobicContact CZ2-CG 4.35Å; V616-R655 PolarHBondContact O-NH1 2.89Å; V616-R655 PolarHBondContact O-NH2 2.79Å; G617-R655 CarbonylContact C-O 3.57Å; G617-R655 VanDerWaalsContact CA-O 3.29Å; G617-R655 WeakPolarHBondContact CA-O 3.42Å; I618-R655 HydrophobicContact CB-CB 4.26Å; I618-R655 HydrophobicContact CG1-CB 4.28Å; I618-R655 PolarHBondContact N-O 3.17Å; I618-R655 PolarHBondContact O-N 2.64Å; W653-R655 VanDerWaalsContact CE3-O 3.25Å
656	K	91.8	Very high	85.4	Confident	84 Å²	84	38.1 Å²	38.1	37%	0.365	19%	0.194	S	C	.	.			trans	-67.6	154.2	173.9	-70.5	-177.8	177.1	-172.7	0	111.9	D84 Q86 W653	D84-K656 WeakPolarHBondContact O-CE 3.4Å; D84-K656 PolarHBondContact O-NZ 3.35Å; Q86-K656 HydrophobicContact CB-CD 4.49Å; Q86-K656 HydrophobicContact CB-CG 4.33Å; W653-K656 HydrophobicContact CB-CG 3.86Å; W653-K656 HydrophobicContact CD2-CG 3.86Å; W653-K656 HydrophobicContact CE3-CG 4.35Å; W653-K656 HydrophobicContact CG-CG 3.62Å
657	H	89.6	Confident	84.3	Confident	29 Å²	29	41.2 Å²	41.2	13%	0.134	21%	0.207	C	C	.	.			trans	-55.4	149.2	168.5	-63.7	117.6	0	0	0	110.9	L591 S609 K614 L615 G617 W653	L591-H657 VanDerWaalsContact CD1-CE1 3.42Å; L591-H657 WeakPolarHBondContact CD1-CE1 3.27Å; S609-H657 PolarHBondContact O-CD2 3.2Å; S609-H657 VanDerWaalsContact O-CD2 3.24Å; S609-H657 PolarHBondContact O-NE2 2.87Å; S609-H657 PolarHBondContact OG-CE1 2.87Å; S609-H657 VanDerWaalsContact OG-CE1 3.26Å; S609-H657 PolarHBondContact OG-NE2 3.08Å; K614-H657 HydrophobicContact CB-CB 4.33Å; K614-H657 HydrophobicContact CD-CB 4.24Å; L615-H657 PolarHBondContact O-CD2 3.41Å; G617-H657 WeakPolarHBondContact CA-CD2 3.49Å; G617-H657 PolarHBondContact N-CD2 3.18Å; W653-H657 AromaticContact CH2-CE1 3.37Å; W653-H657 WeakPolarHBondContact CH2-CE1 3.18Å; W653-H657 AromaticContact CH2-ND1 3.4Å; W653-H657 WeakPolarHBondContact CH2-ND1 3.49Å; W653-H657 AromaticContact CZ3-CE1 3.68Å; W653-H657 AromaticContact CZ3-ND1 3.75Å
658	V	86.4	Confident	83.5	Confident	40 Å²	40	38.9 Å²	38.9	24%	0.242	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.1	168.3	176	0	0	0	0	107	L615 N662 A663	L615-V658 HydrophobicContact CB-CB 4.28Å; L615-V658 WeakPolarHBondContact CB-O 3.33Å; L615-V658 HydrophobicContact CD1-CB 4.09Å; L615-V658 HydrophobicContact CD1-CG1 4.17Å; L615-V658 HydrophobicContact CG-CB 4.41Å; L615-V658 WeakPolarHBondContact CG-O 3.22Å; L615-V658 PolarHBondContact N-O 3.14Å; V658-N662 HydrophobicContact CG1-CB 4.08Å; V658-A663 HydrophobicContact CG1-CB 4.35Å
659	W	85.5	Confident	82.7	Confident	17 Å²	17	38.3 Å²	38.3	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	140.5	173.2	-69.6	94.6	0	0	0	110.4	V552 P588 D613 K614 Y661 N662 A663	V552-W659 HydrophobicContact CB-CD2 4.48Å; V552-W659 HydrophobicContact CB-CG 4.39Å; V552-W659 HydrophobicContact CG1-CB 4.15Å; V552-W659 HydrophobicContact CG1-CD2 4Å; V552-W659 HydrophobicContact CG1-CG 3.84Å; V552-W659 HydrophobicContact CG2-CG 4.41Å; P588-W659 HydrophobicContact CB-CH2 3.99Å; P588-W659 HydrophobicContact CG-CH2 4.05Å; D613-W659 HydrophobicContact CB-CE3 4.36Å; D613-W659 HydrophobicContact CB-CZ3 4.24Å; D613-W659 WeakPolarHBondContact OD2-CZ3 3.22Å; K614-W659 HydrophobicContact CD-CZ3 4.49Å; K614-W659 HydrophobicContact CG-CD2 3.97Å; K614-W659 HydrophobicContact CG-CE3 3.78Å; K614-W659 HydrophobicContact CG-CZ3 4.11Å; W659-Y661 PolarHBondContact O-N 2.89Å; W659-Y661 VanDerWaalsContact O-N 3.16Å; W659-N662 HydrophobicContact CB-CB 4.5Å; W659-N662 WeakPolarHBondContact O-CA 3.44Å; W659-N662 WeakPolarHBondContact O-CB 3.29Å; W659-N662 PolarHBondContact O-N 3.5Å; W659-A663 PolarHBondContact O-N 3.18Å; W659-A663 VanDerWaalsContact O-N 3.11Å
660	H	84.3	Confident	82.3	Confident	5 Å²	5	33.7 Å²	33.7	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-54.8	-36.5	178.9	-71.4	174.5	0	0	0	112.4	L612 D613 L615 N662 A663 Y668 Y773 F778	L612-H660 PolarHBondContact O-CE1 3.08Å; L612-H660 PolarHBondContact O-ND1 2.81Å; D613-H660 VanDerWaalsContact C-CG 3.48Å; D613-H660 WeakPolarHBondContact CA-ND1 3.32Å; D613-H660 PolarHBondContact O-N 3.33Å; L615-H660 PolarHBondContact N-CD2 3.31Å; L615-H660 PolarHBondContact N-NE2 2.91Å; H660-N662 VanDerWaalsContact C-N 3.3Å; H660-N662 PolarHBondContact O-N 3.41Å; H660-A663 WeakPolarHBondContact O-CB 3.06Å; H660-A663 PolarHBondContact O-N 3.2Å; H660-Y668 HydrophobicContact CB-CE2 3.54Å; H660-Y668 WeakPolarHBondContact CB-OH 3.49Å; H660-Y773 AromaticContact NE2-CD2 3.41Å; H660-Y773 WeakPolarHBondContact NE2-CD2 3.45Å; H660-F778 HydrophobicContact CB-CE2 3.8Å; H660-F778 HydrophobicContact CB-CZ 3.71Å; H660-F778 AromaticContact CD2-CE2 3.96Å; H660-F778 AromaticContact CD2-CZ 3.91Å; H660-F778 AromaticContact CE1-CD2 3.8Å; H660-F778 AromaticContact CE1-CE2 3.75Å; H660-F778 AromaticContact CG-CE2 3.46Å; H660-F778 VanDerWaalsContact CG-CE2 3.46Å; H660-F778 AromaticContact CG-CZ 3.63Å; H660-F778 AromaticContact ND1-CD2 3.79Å; H660-F778 AromaticContact ND1-CE2 3.3Å; H660-F778 VanDerWaalsContact ND1-CE2 3.3Å; H660-F778 WeakPolarHBondContact ND1-CE2 3.49Å; H660-F778 AromaticContact ND1-CZ 3.97Å
661	Y	78.3	Confident	81.7	Confident	70 Å²	70	35.5 Å²	35.5	28%	0.275	18%	0.18	S	C	.	.	H	α-helix	trans	-56.1	-40.5	172.5	179.9	-101.5	0	0	0	113.2	W659 G666 Y668	W659-Y661 PolarHBondContact O-N 2.89Å; W659-Y661 VanDerWaalsContact O-N 3.16Å; Y661-G666 WeakPolarHBondContact CE2-O 3.42Å; Y661-G666 VanDerWaalsContact O-CA 3.27Å; Y661-G666 WeakPolarHBondContact O-CA 3.49Å; Y661-G666 PolarHBondContact O-N 3.01Å; Y661-Y668 HydrophobicContact CD2-CG 4.42Å
662	N	79.7	Confident	81.6	Confident	72 Å²	72	35.5 Å²	35.5	39%	0.385	18%	0.181	S	C	.	.	H	α-helix	trans	-80.3	-24.5	-178.7	-68.1	-15.1	0	0	0	112.7	V658 W659 H660 F664 N665	V658-N662 HydrophobicContact CG1-CB 4.08Å; W659-N662 HydrophobicContact CB-CB 4.5Å; W659-N662 WeakPolarHBondContact O-CA 3.44Å; W659-N662 WeakPolarHBondContact O-CB 3.29Å; W659-N662 PolarHBondContact O-N 3.5Å; H660-N662 VanDerWaalsContact C-N 3.3Å; H660-N662 PolarHBondContact O-N 3.41Å; N662-F664 PolarHBondContact O-N 3.24Å; N662-F664 VanDerWaalsContact O-N 3.13Å; N662-N665 PolarHBondContact O-N 2.78Å
663	A	76.6	Confident	81.6	Confident	11 Å²	11	35.5 Å²	35.5	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-25.8	-177	0	0	0	0	0	113.6	I32 L615 V658 W659 H660	I32-A663 HydrophobicContact CD1-CB 3.81Å; L615-A663 HydrophobicContact CD1-CB 3.66Å; L615-A663 HydrophobicContact CG-CB 4.32Å; V658-A663 HydrophobicContact CG1-CB 4.35Å; W659-A663 PolarHBondContact O-N 3.18Å; W659-A663 VanDerWaalsContact O-N 3.11Å; H660-A663 WeakPolarHBondContact O-CB 3.06Å; H660-A663 PolarHBondContact O-N 3.2Å
664	F	71.6	Confident	81.6	Confident	24 Å²	24	35.1 Å²	35.1	11%	0.105	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	34.5	178.8	-59	-69.9	0	0	0	112.6	Y25 L29 N662 G666 F667 F778 Q782	Y25-F664 HydrophobicContact CD1-CD1 4.25Å; Y25-F664 AromaticContact CD1-CE1 3.78Å; Y25-F664 HydrophobicContact CD1-CE1 3.78Å; Y25-F664 HydrophobicContact CD1-CE2 4.4Å; Y25-F664 AromaticContact CD1-CZ 3.86Å; Y25-F664 HydrophobicContact CD1-CZ 3.86Å; Y25-F664 HydrophobicContact CE1-CE1 4.49Å; Y25-F664 HydrophobicContact CE1-CZ 4.47Å; L29-F664 HydrophobicContact CD1-CZ 4.4Å; L29-F664 HydrophobicContact CD2-CE1 4.16Å; L29-F664 HydrophobicContact CD2-CE2 4.44Å; L29-F664 HydrophobicContact CD2-CZ 3.63Å; L29-F664 HydrophobicContact CG-CE1 4.08Å; L29-F664 HydrophobicContact CG-CZ 3.82Å; N662-F664 PolarHBondContact O-N 3.24Å; N662-F664 VanDerWaalsContact O-N 3.13Å; F664-G666 VanDerWaalsContact C-N 3.28Å; F664-G666 PolarHBondContact O-N 3.2Å; F664-F667 HydrophobicContact CB-CB 4.16Å; F664-F667 VanDerWaalsContact CB-O 3.32Å; F664-F667 WeakPolarHBondContact CB-O 3.12Å; F664-F667 VanDerWaalsContact O-CB 3.25Å; F664-F667 WeakPolarHBondContact O-CB 3.49Å; F664-F667 PolarHBondContact O-N 3.31Å; F664-F778 HydrophobicContact CD2-CE1 4.43Å; F664-F778 HydrophobicContact CD2-CZ 4.45Å; F664-F778 HydrophobicContact CE2-CD1 4.41Å; F664-F778 AromaticContact CE2-CE1 3.39Å; F664-F778 HydrophobicContact CE2-CE1 3.39Å; F664-F778 AromaticContact CE2-CZ 3.72Å; F664-F778 HydrophobicContact CE2-CZ 3.72Å; F664-F778 AromaticContact CZ-CE1 3.91Å; F664-F778 HydrophobicContact CZ-CE1 3.91Å; F664-Q782 HydrophobicContact CE2-CG 4Å
665	N	70.3	Confident	81.7	Confident	165 Å²	165	35.1 Å²	35.1	88%	0.882	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	41.2	178.6	-64.6	-34.2	0	0	0	113.6	N662 F667	N662-N665 PolarHBondContact O-N 2.78Å; N665-F667 VanDerWaalsContact C-N 3.3Å; N665-F667 PolarHBondContact O-N 3.09Å
666	G	66.4	Low	81.7	Confident	26 Å²	26	34.5 Å²	34.5	27%	0.268	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-1.9	-179.3	0	0	0	0	0	114.7	Y661 F664 Y668	Y661-G666 WeakPolarHBondContact CE2-O 3.42Å; Y661-G666 VanDerWaalsContact O-CA 3.27Å; Y661-G666 WeakPolarHBondContact O-CA 3.49Å; Y661-G666 PolarHBondContact O-N 3.01Å; F664-G666 VanDerWaalsContact C-N 3.28Å; F664-G666 PolarHBondContact O-N 3.2Å; G666-Y668 PolarHBondContact O-N 3.11Å
667	F	68.6	Low	81.7	Confident	68 Å²	68	31.3 Å²	31.3	30%	0.298	16%	0.164	S	C	.	.			trans	-81.1	111.1	174.7	-169.2	-116.2	0	0	0	110.9	Y25 F664 N665 H786	Y25-F667 HydrophobicContact CE1-CD1 4.44Å; Y25-F667 HydrophobicContact CE1-CE1 4.47Å; Y25-F667 AromaticContact CZ-CE1 3.98Å; Y25-F667 WeakPolarHBondContact OH-CE1 3.22Å; F664-F667 HydrophobicContact CB-CB 4.16Å; F664-F667 VanDerWaalsContact CB-O 3.32Å; F664-F667 WeakPolarHBondContact CB-O 3.12Å; F664-F667 VanDerWaalsContact O-CB 3.25Å; F664-F667 WeakPolarHBondContact O-CB 3.49Å; F664-F667 PolarHBondContact O-N 3.31Å; N665-F667 VanDerWaalsContact C-N 3.3Å; N665-F667 PolarHBondContact O-N 3.09Å; F667-H786 AromaticContact CE1-ND1 3.6Å; F667-H786 AromaticContact CZ-CE1 3.54Å; F667-H786 AromaticContact CZ-ND1 3.32Å; F667-H786 VanDerWaalsContact CZ-ND1 3.32Å; F667-H786 WeakPolarHBondContact CZ-ND1 3.45Å
668	Y	74.4	Confident	81.7	Confident	20 Å²	20	30 Å²	30	8%	0.078	16%	0.158	C	C	.	.			trans	-135.9	80.9	-170.4	-153.3	-126.3	0	0	0	111.6	H660 Y661 G666 T670 P672 N734 F778	H660-Y668 HydrophobicContact CB-CE2 3.54Å; H660-Y668 WeakPolarHBondContact CB-OH 3.49Å; Y661-Y668 HydrophobicContact CD2-CG 4.42Å; G666-Y668 PolarHBondContact O-N 3.11Å; Y668-T670 WeakPolarHBondContact CD1-O 3.26Å; Y668-T670 WeakPolarHBondContact CE1-O 3.28Å; Y668-T670 WeakPolarHBondContact CE2-O 3.31Å; Y668-T670 PolarHBondContact O-N 2.82Å; Y668-P672 WeakPolarHBondContact OH-CD 3.33Å; Y668-N734 PolarHBondContact O-ND2 3.27Å; Y668-F778 HydrophobicContact CE2-CE2 4.34Å; Y668-F778 HydrophobicContact CE2-CZ 4.41Å
669	P	74.8	Confident	81.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-62.7	-19	179.9	30	-44.6	0	0	0	114.6	Y25 N734 Q782 H786	Y25-P669 HydrophobicContact CE1-CG 4.37Å; Y25-P669 VanDerWaalsContact OH-CG 3.28Å; Y25-P669 WeakPolarHBondContact OH-CG 3.35Å; P669-N734 WeakPolarHBondContact O-CB 3.22Å; P669-N734 PolarHBondContact O-N 2.69Å; P669-Q782 HydrophobicContact CG-CB 4.05Å; P669-Q782 WeakPolarHBondContact CG-O 3.41Å; P669-H786 HydrophobicContact CB-CB 3.74Å; P669-H786 HydrophobicContact CG-CB 4.37Å
670	T	81.3	Confident	81.7	Confident	1 Å²	1	28 Å²	28	1%	0.006	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-145.2	141.7	178	-173.8	0	0	0	0	111	Y668 F731 L732 A781 Q782 C785	Y668-T670 WeakPolarHBondContact CD1-O 3.26Å; Y668-T670 WeakPolarHBondContact CE1-O 3.28Å; Y668-T670 WeakPolarHBondContact CE2-O 3.31Å; Y668-T670 PolarHBondContact O-N 2.82Å; T670-F731 HydrophobicContact CG2-CD1 4.3Å; T670-L732 WeakPolarHBondContact CA-O 3.3Å; T670-L732 VanDerWaalsContact CB-O 3.25Å; T670-L732 WeakPolarHBondContact CB-O 3.35Å; T670-L732 PolarHBondContact OG1-N 3.03Å; T670-L732 PolarHBondContact OG1-O 2.93Å; T670-A781 HydrophobicContact CG2-CB 4.4Å; T670-Q782 HydrophobicContact CG2-CG 4.38Å; T670-C785 HydrophobicContact CG2-CB 4.14Å
671	N	78.7	Confident	81.4	Confident	56 Å²	56	32.1 Å²	32.1	30%	0.299	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-70.3	166	169.8	-72.5	-33.8	0	0	0	111
672	P	86.6	Confident	81.1	Confident	26 Å²	26	33.9 Å²	33.9	17%	0.169	18%	0.179	C	C	.	.	S	Bend	trans	-49.6	149.1	164.2	-24.5	36.5	0	0	0	110.7	Y589 D613 Y668	Y589-P672 HydrophobicContact CD2-CB 4.1Å; Y589-P672 HydrophobicContact CD2-CG 4.49Å; Y589-P672 HydrophobicContact CE2-CB 3.42Å; Y589-P672 VanDerWaalsContact CE2-CB 3.42Å; Y589-P672 HydrophobicContact CE2-CG 4.02Å; D613-P672 HydrophobicContact CB-CB 4.42Å; D613-P672 HydrophobicContact CB-CG 3.7Å; Y668-P672 WeakPolarHBondContact OH-CD 3.33Å
673	P	91.8	Very high	80.3	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-71.3	152.6	-171.7	31.3	-34.1	0	0	0	111.7	Y589 L612 V675 Q729 L730 F731	Y589-P673 PolarHBondContact OH-O 2.85Å; L612-P673 HydrophobicContact CB-CG 4.45Å; L612-P673 HydrophobicContact CD1-CG 4.02Å; L612-P673 HydrophobicContact CD2-CG 4.2Å; L612-P673 HydrophobicContact CG-CG 4.46Å; P673-V675 PolarHBondContact O-N 2.96Å; P673-Q729 HydrophobicContact CB-CB 3.94Å; P673-Q729 HydrophobicContact CB-CG 4.16Å; P673-Q729 HydrophobicContact CG-CB 4.26Å; P673-Q729 HydrophobicContact CG-CG 4Å; P673-L730 WeakPolarHBondContact CA-O 3.23Å; P673-F731 HydrophobicContact CB-CD1 3.82Å; P673-F731 HydrophobicContact CB-CD2 3.81Å; P673-F731 HydrophobicContact CB-CE1 3.72Å; P673-F731 HydrophobicContact CB-CE2 3.65Å; P673-F731 HydrophobicContact CB-CG 3.89Å; P673-F731 HydrophobicContact CB-CZ 3.62Å; P673-F731 VanDerWaalsContact CD-CE1 3.47Å; P673-F731 HydrophobicContact CG-CD1 4.29Å; P673-F731 HydrophobicContact CG-CE1 3.68Å; P673-F731 HydrophobicContact CG-CE2 3.92Å; P673-F731 HydrophobicContact CG-CZ 3.46Å; P673-F731 VanDerWaalsContact CG-CZ 3.46Å
674	L	92.2	Very high	79.4	Confident	9 Å²	9	36.4 Å²	36.4	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.4	158.8	-56.9	179.3	0	0	0	108.1	L575 C583 L676 Q729 L730 L732 L835	L575-L674 HydrophobicContact CD2-CB 4.1Å; L575-L674 HydrophobicContact CD2-CD2 4.29Å; C583-L674 HydrophobicContact CB-CD2 3.95Å; L674-L676 HydrophobicContact CB-CD2 3.85Å; L674-Q729 WeakPolarHBondContact O-CA 3.38Å; L674-L730 HydrophobicContact CB-CB 4.38Å; L674-L730 HydrophobicContact CD1-CD2 4.48Å; L674-L730 PolarHBondContact N-O 2.88Å; L674-L730 PolarHBondContact O-N 3.34Å; L674-L732 HydrophobicContact CD1-CD1 4.2Å; L674-L835 HydrophobicContact CD1-CD1 4.03Å
675	V	94.4	Very high	78.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.4	174.8	-174.8	0	0	0	0	108.1	L518 L575 D576 F579 Y589 L612 P673 Q729	L518-V675 HydrophobicContact CD1-CG1 3.82Å; L575-V675 WeakPolarHBondContact CA-O 3.36Å; D576-V675 HydrophobicContact CB-CB 4.31Å; D576-V675 HydrophobicContact CB-CG1 3.87Å; D576-V675 PolarHBondContact N-O 3.22Å; F579-V675 HydrophobicContact CB-CB 3.85Å; F579-V675 HydrophobicContact CB-CG2 3.92Å; F579-V675 HydrophobicContact CD1-CG2 4.09Å; F579-V675 HydrophobicContact CD2-CB 3.96Å; F579-V675 HydrophobicContact CD2-CG1 3.7Å; F579-V675 HydrophobicContact CD2-CG2 4.12Å; F579-V675 HydrophobicContact CE2-CG1 4.15Å; F579-V675 HydrophobicContact CG-CB 3.93Å; F579-V675 HydrophobicContact CG-CG1 4.19Å; F579-V675 HydrophobicContact CG-CG2 3.77Å; Y589-V675 HydrophobicContact CE1-CG2 4.1Å; L612-V675 HydrophobicContact CD1-CG2 3.53Å; P673-V675 PolarHBondContact O-N 2.96Å; V675-Q729 HydrophobicContact CG2-CG 4.49Å
676	L	93.5	Very high	76.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	153	-173.3	-47.6	-176.2	0	0	0	110.4	T574 L575 L674 G728 L730 F792 F825 A829 T833	T574-L676 HydrophobicContact CG2-CB 4.14Å; T574-L676 HydrophobicContact CG2-CD2 4.15Å; T574-L676 WeakPolarHBondContact O-CA 3.29Å; L575-L676 HydrophobicContact CD2-CD2 3.96Å; L674-L676 HydrophobicContact CB-CD2 3.85Å; L676-G728 PolarHBondContact N-O 3.17Å; L676-G728 PolarHBondContact O-N 2.75Å; L676-L730 HydrophobicContact CD1-CB 4.07Å; L676-F792 HydrophobicContact CD1-CE2 4.23Å; L676-F825 HydrophobicContact CB-CE2 4.07Å; L676-F825 HydrophobicContact CB-CZ 4.07Å; L676-A829 HydrophobicContact CD1-CB 3.83Å; L676-T833 HydrophobicContact CD1-CG2 4.41Å; L676-T833 HydrophobicContact CD2-CG2 4.49Å
677	R	91.3	Very high	75.2	Confident	17 Å²	17	52.7 Å²	52.7	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144	169.7	63.2	-176.4	-176.6	165.1	7.8	111.2	T574 P577 I725 L726 Y727 Y828	T574-R677 PolarHBondContact O-N 2.65Å; P577-R677 VanDerWaalsContact CG-CZ 3.43Å; R677-I725 HydrophobicContact CB-CG2 3.85Å; R677-L726 CarbonylContact C-O 3.26Å; R677-L726 VanDerWaalsContact CA-O 3.28Å; R677-L726 WeakPolarHBondContact CA-O 3.48Å; R677-Y727 HydrophobicContact CB-CD1 4.44Å; R677-Y828 WeakPolarHBondContact O-CE1 3.25Å
678	C	88.9	Confident	73.6	Confident	3 Å²	3	57 Å²	57	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.6	176.6	179	0	0	0	0	109.5	I680 L726 F825 Y828	C678-I680 PolarHBondContact O-N 3.07Å; C678-L726 PolarHBondContact N-O 2.9Å; C678-L726 PolarHBondContact O-N 3.09Å; C678-F825 HydrophobicContact CB-CD1 4.02Å; C678-F825 HydrophobicContact CB-CD2 3.4Å; C678-F825 HydrophobicContact CB-CE1 4.02Å; C678-F825 HydrophobicContact CB-CE2 3.45Å; C678-F825 VanDerWaalsContact CB-CE2 3.45Å; C678-F825 HydrophobicContact CB-CG 3.73Å; C678-F825 HydrophobicContact CB-CZ 3.77Å; C678-Y828 HydrophobicContact CB-CD1 3.76Å; C678-Y828 HydrophobicContact CB-CE1 4.02Å; C678-Y828 HydrophobicContact CB-CG 4.47Å
679	D	88	Confident	71.7	Confident	11 Å²	11	65 Å²	65	6%	0.059	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	105.4	168	-174.9	-17.7	0	0	0	108.8	F681 N682 N683 S724 I725	D679-F681 VanDerWaalsContact C-N 3.3Å; D679-F681 PolarHBondContact O-N 3.25Å; D679-F681 PolarHBondContact OD1-N 3.08Å; D679-N682 HydrophobicContact CB-CB 4.25Å; D679-N682 PolarHBondContact O-N 3.39Å; D679-N682 PolarHBondContact OD1-N 3.5Å; D679-N682 PolarHBondContact OD2-ND2 2.97Å; D679-N683 PolarHBondContact N-ND2 2.71Å; D679-N683 WeakPolarHBondContact O-CB 3.37Å; D679-N683 PolarHBondContact O-N 2.99Å; D679-N683 PolarHBondContact O-ND2 3.26Å; D679-S724 VanDerWaalsContact OD1-CB 3.31Å; D679-S724 WeakPolarHBondContact OD1-CB 3.31Å; D679-S724 PolarHBondContact OD1-OG 3.44Å; D679-I725 HydrophobicContact CB-CD1 3.76Å
680	I	84	Confident	69.6	Low	2 Å²	2	73 Å²	73	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-33.3	-171.4	-167.3	153.5	0	0	0	112.5	C678 L684 S724 L726 D821	C678-I680 PolarHBondContact O-N 3.07Å; I680-L684 HydrophobicContact CD1-CD1 4.29Å; I680-L684 HydrophobicContact CG1-CD1 3.52Å; I680-L684 HydrophobicContact CG1-CG 4.05Å; I680-L684 VanDerWaalsContact O-CB 3.28Å; I680-L684 WeakPolarHBondContact O-CB 3.25Å; I680-L684 WeakPolarHBondContact O-CD1 3.28Å; I680-L684 VanDerWaalsContact O-CG 3.22Å; I680-L684 WeakPolarHBondContact O-CG 3.33Å; I680-L684 PolarHBondContact O-N 2.74Å; I680-L684 VanDerWaalsContact O-N 3.14Å; I680-S724 WeakPolarHBondContact CG2-O 3.41Å; I680-S724 PolarHBondContact N-O 3.47Å; I680-L726 HydrophobicContact CB-CD1 4.32Å; I680-L726 HydrophobicContact CB-CG 4.32Å; I680-L726 HydrophobicContact CD1-CD1 3.63Å; I680-L726 HydrophobicContact CD1-CG 4.43Å; I680-L726 HydrophobicContact CG1-CD1 4.5Å; I680-D821 HydrophobicContact CD1-CB 3.74Å; I680-D821 WeakPolarHBondContact CD1-OD1 3.16Å
681	F	79.2	Confident	67.1	Low	93 Å²	93	81.9 Å²	81.9	41%	0.408	39%	0.388	S	S	.	.	H	α-helix	trans	-77.5	-30.9	-176.8	-61.1	-48.5	0	0	0	112.9	D679	D679-F681 VanDerWaalsContact C-N 3.3Å; D679-F681 PolarHBondContact O-N 3.25Å; D679-F681 PolarHBondContact OD1-N 3.08Å
682	N	71.7	Confident	64.8	Low	106 Å²	106	86.4 Å²	86.4	57%	0.567	41%	0.413	S	S	*	.	H	α-helix	trans	-86.5	-27	178.5	-75.7	-34.2	0	0	0	113.1	D679	D679-N682 HydrophobicContact CB-CB 4.25Å; D679-N682 PolarHBondContact O-N 3.39Å; D679-N682 PolarHBondContact OD1-N 3.5Å; D679-N682 PolarHBondContact OD2-ND2 2.97Å
683	N	63.1	Low	62.4	Low	73 Å²	73	96.3 Å²	96.3	39%	0.39	45%	0.448	S	S	.	.	H	α-helix	trans	-98.4	-10	-177.6	-65.6	-67	0	0	0	114.4	D679 D685 Y828	D679-N683 PolarHBondContact N-ND2 2.71Å; D679-N683 WeakPolarHBondContact O-CB 3.37Å; D679-N683 PolarHBondContact O-N 2.99Å; D679-N683 PolarHBondContact O-ND2 3.26Å; N683-D685 PolarHBondContact O-N 2.8Å; N683-D685 VanDerWaalsContact O-N 3.1Å; N683-Y828 HydrophobicContact CB-CD2 4.13Å; N683-Y828 WeakPolarHBondContact OD1-CE2 3.48Å
684	L	55.9	Low	59.4	Low	64 Å²	64	104 Å²	104	34%	0.335	49%	0.489	S	S	.	.			trans	-69.6	102.2	166.1	-86.9	161.5	0	0	0	108.9	I680 R686 A824	I680-L684 HydrophobicContact CD1-CD1 4.29Å; I680-L684 HydrophobicContact CG1-CD1 3.52Å; I680-L684 HydrophobicContact CG1-CG 4.05Å; I680-L684 VanDerWaalsContact O-CB 3.28Å; I680-L684 WeakPolarHBondContact O-CB 3.25Å; I680-L684 WeakPolarHBondContact O-CD1 3.28Å; I680-L684 VanDerWaalsContact O-CG 3.22Å; I680-L684 WeakPolarHBondContact O-CG 3.33Å; I680-L684 PolarHBondContact O-N 2.74Å; I680-L684 VanDerWaalsContact O-N 3.14Å; L684-R686 PolarHBondContact O-N 2.93Å; L684-A824 HydrophobicContact CD2-CB 4.22Å
685	D	45.8	Very low	56.5	Low	136 Å²	136	110.8 Å²	110.8	73%	0.727	53%	0.525	S	S	*	.			trans	-60.3	86	162.1	-112.1	-32.1	0	0	0	108.1	N683 R687	N683-D685 PolarHBondContact O-N 2.8Å; N683-D685 VanDerWaalsContact O-N 3.1Å; D685-R687 PolarHBondContact O-N 3.21Å
686	R	43.3	Very low	53.5	Low	196 Å²	196	116.8 Å²	116.8	74%	0.74	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	14.4	176.7	-82.4	-166.9	-175.4	-172.5	2.6	113.7	L684	L684-R686 PolarHBondContact O-N 2.93Å
687	R	32.7	Very low	50.6	Low	225 Å²	225	124 Å²	124	85%	0.849	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	6.3	-174.2	-80.5	-171.6	-179.2	-174	2.7	115.3	D685	D685-R687 PolarHBondContact O-N 3.21Å
688	L	33.7	Very low	47.6	Very low	159 Å²	159	132.6 Å²	132.6	83%	0.832	64%	0.641	S	S	*	*	S	Bend	trans	-129	4.5	-174.2	-77.2	167.4	0	0	0	118.4
689	E	34	Very low	44.8	Very low	186 Å²	186	138.2 Å²	138.2	87%	0.869	68%	0.679	S	S	*	*	S	Bend	trans	-131.5	21.1	-176.3	-74.4	-176.2	176.9	0	0	116.5
690	L	31.3	Very low	42.3	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	72%	0.718	S	S	*	*			trans	-131.4	73.4	172	-70.6	166.8	0	0	0	110
691	Q	29.2	Very low	39.5	Very low	189 Å²	189	153.8 Å²	153.8	88%	0.883	76%	0.759	S	S	*	*	S	Bend	trans	-135.8	-3.7	167.9	-108.7	-175.9	-2.1	0	0	115.5
692	D	30.5	Very low	37.1	Very low	151 Å²	151	156 Å²	156	81%	0.807	78%	0.775	S	S	*	*	S	Bend	trans	-143.1	114.9	171.9	-77.5	-49.3	0	0	0	108.2
693	Y	36.8	Very low	35.3	Very low	233 Å²	233	159.4 Å²	159.4	91%	0.914	79%	0.787	S	S	*	*			trans	140.4	73.2	166	-80.7	-68.9	0	0	0	110	D695	Y693-D695 PolarHBondContact O-N 3.05Å
694	D	27.8	Very low	33.8	Very low	162 Å²	162	164 Å²	164	87%	0.866	81%	0.81	S	S	*	*			trans	-71.3	99.7	154.9	-74.2	-38.8	0	0	0	107.4
695	D	30.5	Very low	32.4	Very low	152 Å²	152	166.8 Å²	166.8	81%	0.813	84%	0.835	S	S	*	*			trans	163.8	136.7	141.7	-87.7	-30.3	0	0	0	110.6	Y693	Y693-D695 PolarHBondContact O-N 3.05Å
696	V	32.8	Very low	31.7	Very low	126 Å²	126	165.2 Å²	165.2	76%	0.764	83%	0.834	S	S	*	*			trans	100.4	113.3	156.1	-156.3	0	0	0	0	119.4
697	D	32.5	Very low	31	Very low	152 Å²	152	161 Å²	161	81%	0.813	84%	0.836	S	S	*	*			trans	88.3	92.8	154	-72.9	-13.1	0	0	0	122.3	C699	D697-C699 PolarHBondContact O-N 3.36Å; D697-C699 VanDerWaalsContact O-N 3.08Å
698	E	28	Very low	31.2	Very low	197 Å²	197	153.9 Å²	153.9	92%	0.921	81%	0.813	S	S	*	*			trans	-58.2	90.6	157.6	-68.7	179.6	144.5	0	0	112.1
699	C	30.9	Very low	30.8	Very low	121 Å²	121	152.3 Å²	152.3	82%	0.818	81%	0.806	S	S	*	*			trans	-161.9	49.1	160	-120.1	0	0	0	0	113.9	D697	D697-C699 PolarHBondContact O-N 3.36Å; D697-C699 VanDerWaalsContact O-N 3.08Å
700	M	34.1	Very low	30.7	Very low	179 Å²	179	146 Å²	146	88%	0.882	78%	0.78	S	S	*	*			trans	-145.6	13.4	169.9	-82.1	-135.1	169.5	0	0	115.9	D702	M700-D702 PolarHBondContact O-N 3.25Å
701	N	26.7	Very low	30.4	Very low	162 Å²	162	142.3 Å²	142.3	87%	0.866	76%	0.764	S	S	*	*			trans	-100.9	72.8	175.7	-77.9	-24.2	0	0	0	111.2
702	D	29	Very low	30.4	Very low	140 Å²	140	142.5 Å²	142.5	75%	0.749	76%	0.758	S	S	*	*	S	Bend	trans	-144.9	119.4	157.4	-90.7	-35.1	0	0	0	110.2	M700	M700-D702 PolarHBondContact O-N 3.25Å
703	H	32	Very low	30.2	Very low	177 Å²	177	138.4 Å²	138.4	82%	0.819	74%	0.741	S	S	*	*	S	Bend	trans	74.8	59	166.6	-48.6	-53.6	0	0	0	119.8
704	I	31.9	Very low	30	Very low	169 Å²	169	133 Å²	133	87%	0.867	74%	0.738	S	S	*	*			trans	-129.9	73.3	151.1	-51.6	177.7	0	0	0	109.1
705	S	26.3	Very low	30.1	Very low	123 Å²	123	131.1 Å²	131.1	86%	0.86	73%	0.728	S	S	*	*			trans	-138.8	86.6	157.4	73.5	0	0	0	0	108.6
706	S	31.5	Very low	30.4	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	72%	0.717	S	S	*	*			trans	-144.7	124.5	156.8	60.1	0	0	0	0	107.8	I708	S706-I708 PolarHBondContact O-N 2.88Å
707	S	29.5	Very low	30.4	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	69%	0.694	S	S	*	*			trans	-57	115.3	172.3	46	0	0	0	0	109.5	N709	S707-N709 PolarHBondContact O-N 3.06Å
708	I	35.5	Very low	30.7	Very low	74 Å²	74	125.8 Å²	125.8	38%	0.379	69%	0.686	S	S	.	*			trans	-78.5	113.4	177	-66.7	-177.6	0	0	0	108.4	S706 S720	S706-I708 PolarHBondContact O-N 2.88Å; I708-S720 WeakPolarHBondContact CB-OG 3.36Å; I708-S720 WeakPolarHBondContact CD1-OG 3.47Å; I708-S720 WeakPolarHBondContact CG1-OG 3.48Å; I708-S720 WeakPolarHBondContact CG2-OG 3.29Å
709	N	26.4	Very low	31.5	Very low	126 Å²	126	119.3 Å²	119.3	67%	0.674	65%	0.654	S	S	*	*			trans	-87	128.5	172.7	-76.4	-26.1	0	0	0	109.5	S707	S707-N709 PolarHBondContact O-N 3.06Å
710	V	30.8	Very low	32.3	Very low	55 Å²	55	116.9 Å²	116.9	33%	0.333	64%	0.639	S	S	.	*			trans	-97.9	115.7	167.9	178	0	0	0	0	107.5	Y712 I717 F719	V710-Y712 HydrophobicContact CG1-CD2 4.49Å; V710-Y712 HydrophobicContact CG1-CE2 4.1Å; V710-I717 HydrophobicContact CG1-CG2 4.13Å; V710-F719 HydrophobicContact CG2-CD1 4.42Å
711	T	25.3	Very low	33.7	Very low	89 Å²	89	111.5 Å²	111.5	55%	0.546	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.1	117.9	174.8	-10.4	0	0	0	0	109.2	S713	T711-S713 PolarHBondContact O-N 3.49Å
712	Y	29.3	Very low	35.7	Very low	193 Å²	193	105.8 Å²	105.8	76%	0.757	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.8	104.2	172.3	-65.6	-89.5	0	0	0	108.9	V710	V710-Y712 HydrophobicContact CG1-CD2 4.49Å; V710-Y712 HydrophobicContact CG1-CE2 4.1Å
713	S	27.5	Very low	38	Very low	65 Å²	65	100.9 Å²	100.9	46%	0.455	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	147	156.2	79.4	0	0	0	0	107.9	T711 D715 H716	T711-S713 PolarHBondContact O-N 3.49Å; S713-D715 PolarHBondContact O-N 3.33Å; S713-H716 PolarHBondContact N-O 2.89Å; S713-H716 PolarHBondContact O-N 3.05Å; S713-H716 VanDerWaalsContact O-N 3.16Å; S713-H716 PolarHBondContact OG-N 3.37Å; S713-H716 PolarHBondContact OG-O 3.49Å
714	S	31.5	Very low	40.5	Very low	119 Å²	119	92.6 Å²	92.6	83%	0.832	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-7.6	-176.9	47.1	0	0	0	0	114.9
715	D	31.3	Very low	43.3	Very low	124 Å²	124	84.7 Å²	84.7	66%	0.663	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-10.6	-177.7	-60.5	-59.5	0	0	0	113.6	S713	S713-D715 PolarHBondContact O-N 3.33Å
716	H	35	Very low	46.5	Very low	126 Å²	126	78.9 Å²	78.9	58%	0.583	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.4	130	-178.9	-61.4	-64.7	0	0	0	112.8	S713	S713-H716 PolarHBondContact N-O 2.89Å; S713-H716 PolarHBondContact O-N 3.05Å; S713-H716 VanDerWaalsContact O-N 3.16Å; S713-H716 PolarHBondContact OG-N 3.37Å; S713-H716 PolarHBondContact OG-O 3.49Å
717	I	34.4	Very low	49.5	Very low	55 Å²	55	75 Å²	75	28%	0.282	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	101.5	160.7	-65.4	168.7	0	0	0	106.9	P577 V710 F719	P577-I717 HydrophobicContact CG-CB 4.47Å; V710-I717 HydrophobicContact CG1-CG2 4.13Å; I717-F719 HydrophobicContact CG2-CD1 4.46Å; I717-F719 HydrophobicContact CG2-CD2 4.41Å; I717-F719 HydrophobicContact CG2-CE1 4.11Å; I717-F719 HydrophobicContact CG2-CE2 4.13Å; I717-F719 HydrophobicContact CG2-CZ 3.93Å
718	E	38.1	Very low	52.7	Low	136 Å²	136	69.8 Å²	69.8	64%	0.636	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.3	169.4	-82.7	-177.4	156.8	0	0	109.7
719	F	44.6	Very low	55.6	Low	61 Å²	61	66.5 Å²	66.5	27%	0.268	36%	0.356	S	S	.	.			trans	-89.4	140.5	165	-67.2	-68	0	0	0	109.5	V710 I717 N721 I725	V710-F719 HydrophobicContact CG2-CD1 4.42Å; I717-F719 HydrophobicContact CG2-CD1 4.46Å; I717-F719 HydrophobicContact CG2-CD2 4.41Å; I717-F719 HydrophobicContact CG2-CE1 4.11Å; I717-F719 HydrophobicContact CG2-CE2 4.13Å; I717-F719 HydrophobicContact CG2-CZ 3.93Å; F719-N721 PolarHBondContact O-N 3.4Å; F719-I725 HydrophobicContact CB-CD1 4.41Å; F719-I725 HydrophobicContact CD1-CD1 4.47Å; F719-I725 HydrophobicContact CD2-CD1 3.66Å; F719-I725 HydrophobicContact CD2-CG1 4.04Å; F719-I725 HydrophobicContact CE2-CD1 3.85Å; F719-I725 HydrophobicContact CG-CD1 3.97Å; F719-I725 HydrophobicContact CG-CG1 4.5Å; F719-I725 HydrophobicContact CZ-CD1 4.42Å
720	S	47.2	Very low	58.9	Low	70 Å²	70	60.5 Å²	60.5	49%	0.49	32%	0.324	S	S	.	.	S	Bend	trans	-71.5	-12.6	-175.2	74.9	0	0	0	0	114.6	I708	I708-S720 WeakPolarHBondContact CB-OG 3.36Å; I708-S720 WeakPolarHBondContact CD1-OG 3.47Å; I708-S720 WeakPolarHBondContact CG1-OG 3.48Å; I708-S720 WeakPolarHBondContact CG2-OG 3.29Å
721	N	65.1	Low	61.9	Low	66 Å²	66	58.3 Å²	58.3	35%	0.353	31%	0.31	S	S	.	.			trans	-145	98.6	179.1	-169.7	-3.5	0	0	0	111.4	F719 Q723 S724	F719-N721 PolarHBondContact O-N 3.4Å; N721-Q723 PolarHBondContact O-N 3.1Å; N721-Q723 VanDerWaalsContact O-N 3.08Å; N721-Q723 VanDerWaalsContact OD1-CB 3.26Å; N721-Q723 WeakPolarHBondContact OD1-CB 3.44Å; N721-Q723 PolarHBondContact OD1-N 3.25Å; N721-Q723 VanDerWaalsContact OD1-N 3.13Å; N721-S724 PolarHBondContact O-N 2.72Å; N721-S724 VanDerWaalsContact O-N 3.15Å; N721-S724 PolarHBondContact O-OG 2.82Å
722	S	68	Low	65	Low	42 Å²	42	55 Å²	55	29%	0.294	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56.6	-26.3	178.7	66.7	0	0	0	0	112.7	S724 I725 R802	S722-S724 VanDerWaalsContact C-N 3.26Å; S722-S724 PolarHBondContact O-N 3.03Å; S722-I725 PolarHBondContact O-N 2.94Å; S722-R802 PolarHBondContact O-NH2 2.96Å
723	Q	78	Confident	67.8	Low	37 Å²	37	46 Å²	46	17%	0.173	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-69.2	-17.2	-178.8	-62.9	-74.5	-56.9	0	0	114.1	F444 N721 R802	F444-Q723 VanDerWaalsContact CZ-NE2 3.26Å; N721-Q723 PolarHBondContact O-N 3.1Å; N721-Q723 VanDerWaalsContact O-N 3.08Å; N721-Q723 VanDerWaalsContact OD1-CB 3.26Å; N721-Q723 WeakPolarHBondContact OD1-CB 3.44Å; N721-Q723 PolarHBondContact OD1-N 3.25Å; N721-Q723 VanDerWaalsContact OD1-N 3.13Å; Q723-R802 PolarHBondContact NE2-O 3.02Å; Q723-R802 PolarHBondContact OE1-O 3.16Å
724	S	83.3	Confident	70.1	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.021	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-85.6	-14.3	176.6	75.5	0	0	0	0	113.8	D679 I680 N721 S722	D679-S724 VanDerWaalsContact OD1-CB 3.31Å; D679-S724 WeakPolarHBondContact OD1-CB 3.31Å; D679-S724 PolarHBondContact OD1-OG 3.44Å; I680-S724 WeakPolarHBondContact CG2-O 3.41Å; I680-S724 PolarHBondContact N-O 3.47Å; N721-S724 PolarHBondContact O-N 2.72Å; N721-S724 VanDerWaalsContact O-N 3.15Å; N721-S724 PolarHBondContact O-OG 2.82Å; S722-S724 VanDerWaalsContact C-N 3.26Å; S722-S724 PolarHBondContact O-N 3.03Å
725	I	90	Very high	71.3	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.6	-174.5	-54.4	-56.3	0	0	0	110.3	R677 D679 F719 S722 Y727 R802	R677-I725 HydrophobicContact CB-CG2 3.85Å; D679-I725 HydrophobicContact CB-CD1 3.76Å; F719-I725 HydrophobicContact CB-CD1 4.41Å; F719-I725 HydrophobicContact CD1-CD1 4.47Å; F719-I725 HydrophobicContact CD2-CD1 3.66Å; F719-I725 HydrophobicContact CD2-CG1 4.04Å; F719-I725 HydrophobicContact CE2-CD1 3.85Å; F719-I725 HydrophobicContact CG-CD1 3.97Å; F719-I725 HydrophobicContact CG-CG1 4.5Å; F719-I725 HydrophobicContact CZ-CD1 4.42Å; S722-I725 PolarHBondContact O-N 2.94Å; I725-Y727 HydrophobicContact CG2-CE1 4.11Å; I725-Y727 HydrophobicContact CG2-CE2 4.11Å; I725-R802 PolarHBondContact O-NH1 2.93Å; I725-R802 PolarHBondContact O-NH2 3.03Å
726	L	94.1	Very high	72.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.4	165.3	-57.2	-170	0	0	0	109.8	R677 C678 I680 R797 F806 D821 F825	R677-L726 CarbonylContact C-O 3.26Å; R677-L726 VanDerWaalsContact CA-O 3.28Å; R677-L726 WeakPolarHBondContact CA-O 3.48Å; C678-L726 PolarHBondContact N-O 2.9Å; C678-L726 PolarHBondContact O-N 3.09Å; I680-L726 HydrophobicContact CB-CD1 4.32Å; I680-L726 HydrophobicContact CB-CG 4.32Å; I680-L726 HydrophobicContact CD1-CD1 3.63Å; I680-L726 HydrophobicContact CD1-CG 4.43Å; I680-L726 HydrophobicContact CG1-CD1 4.5Å; L726-R797 HydrophobicContact CD2-CG 4.34Å; L726-F806 HydrophobicContact CD2-CE2 4.04Å; L726-F806 HydrophobicContact CD2-CZ 3.68Å; L726-D821 HydrophobicContact CD1-CB 3.86Å; L726-F825 HydrophobicContact CB-CD1 3.7Å; L726-F825 HydrophobicContact CB-CE1 3.74Å; L726-F825 HydrophobicContact CD1-CD1 4.38Å; L726-F825 WeakPolarHBondContact O-CE1 3.48Å
727	Y	95.3	Very high	72.9	Confident	20 Å²	20	36.9 Å²	36.9	8%	0.078	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.3	178.5	-64	-84.6	0	0	0	110.8	H516 P517 L518 R677 I725 C794 D795	H516-Y727 AromaticContact CE1-CE1 3.88Å; P517-Y727 HydrophobicContact CB-CE2 4Å; P517-Y727 HydrophobicContact CG-CE2 4.08Å; L518-Y727 HydrophobicContact CD1-CD1 3.77Å; L518-Y727 HydrophobicContact CD1-CE1 4.44Å; L518-Y727 HydrophobicContact CD1-CG 4.11Å; L518-Y727 HydrophobicContact CD2-CD1 4.32Å; L518-Y727 HydrophobicContact CD2-CD2 4.21Å; L518-Y727 HydrophobicContact CD2-CG 3.89Å; L518-Y727 HydrophobicContact CG-CD1 4.07Å; L518-Y727 HydrophobicContact CG-CE1 4.48Å; L518-Y727 HydrophobicContact CG-CG 4.16Å; R677-Y727 HydrophobicContact CB-CD1 4.44Å; I725-Y727 HydrophobicContact CG2-CE1 4.11Å; I725-Y727 HydrophobicContact CG2-CE2 4.11Å; Y727-C794 WeakPolarHBondContact O-CA 3.38Å; Y727-C794 WeakPolarHBondContact O-CB 3.38Å; Y727-D795 PolarHBondContact O-N 3.47Å
728	G	96.5	Very high	73.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161	-177.7	0	0	0	0	0	112.3	L676 L793	L676-G728 PolarHBondContact N-O 3.17Å; L676-G728 PolarHBondContact O-N 2.75Å; G728-L793 CarbonylContact C-O 3.57Å; G728-L793 WeakPolarHBondContact CA-O 3.45Å
729	Q	96.7	Very high	74.1	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137	172.8	-79.4	170.4	1.3	0	0	109.9	P673 L674 V675 F731 V769 R770 F792 L793	P673-Q729 HydrophobicContact CB-CB 3.94Å; P673-Q729 HydrophobicContact CB-CG 4.16Å; P673-Q729 HydrophobicContact CG-CB 4.26Å; P673-Q729 HydrophobicContact CG-CG 4Å; L674-Q729 WeakPolarHBondContact O-CA 3.38Å; V675-Q729 HydrophobicContact CG2-CG 4.49Å; Q729-F731 HydrophobicContact CB-CE2 4.09Å; Q729-V769 HydrophobicContact CG-CG1 3.95Å; Q729-R770 PolarHBondContact NE2-O 2.7Å; Q729-F792 WeakPolarHBondContact O-CA 3.18Å; Q729-L793 HydrophobicContact CB-CD2 3.95Å; Q729-L793 HydrophobicContact CB-CG 4.02Å; Q729-L793 PolarHBondContact N-O 3.41Å; Q729-L793 PolarHBondContact O-N 3.21Å
730	L	95.4	Very high	74.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.1	175.3	-179.8	61.7	0	0	0	109.9	P673 L674 L676 L732 A790 F792 T833 L835 I836	P673-L730 WeakPolarHBondContact CA-O 3.23Å; L674-L730 HydrophobicContact CB-CB 4.38Å; L674-L730 HydrophobicContact CD1-CD2 4.48Å; L674-L730 PolarHBondContact N-O 2.88Å; L674-L730 PolarHBondContact O-N 3.34Å; L676-L730 HydrophobicContact CD1-CB 4.07Å; L730-L732 HydrophobicContact CD1-CD2 4.28Å; L730-L732 HydrophobicContact CD2-CD2 4.09Å; L730-L732 HydrophobicContact CG-CD2 3.92Å; L730-L732 HydrophobicContact CG-CG 4.37Å; L730-A790 HydrophobicContact CD1-CB 4.19Å; L730-F792 HydrophobicContact CB-CD2 4.47Å; L730-F792 HydrophobicContact CD1-CB 4.11Å; L730-F792 HydrophobicContact CD1-CD2 4.43Å; L730-T833 HydrophobicContact CD2-CG2 4.33Å; L730-L835 HydrophobicContact CD2-CB 4.21Å; L730-L835 HydrophobicContact CD2-CD1 4.38Å; L730-I836 HydrophobicContact CD1-CD1 4.09Å; L730-I836 HydrophobicContact CD1-CG1 4.1Å; L730-I836 HydrophobicContact CD2-CD1 4.35Å; L730-I836 HydrophobicContact CD2-CG1 4.31Å
731	F	93.8	Very high	74.5	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.7	171.5	-64.6	-96.5	0	0	0	109.7	T670 P673 Q729 V777 A781 A790 V791 L793	T670-F731 HydrophobicContact CG2-CD1 4.3Å; P673-F731 HydrophobicContact CB-CD1 3.82Å; P673-F731 HydrophobicContact CB-CD2 3.81Å; P673-F731 HydrophobicContact CB-CE1 3.72Å; P673-F731 HydrophobicContact CB-CE2 3.65Å; P673-F731 HydrophobicContact CB-CG 3.89Å; P673-F731 HydrophobicContact CB-CZ 3.62Å; P673-F731 VanDerWaalsContact CD-CE1 3.47Å; P673-F731 HydrophobicContact CG-CD1 4.29Å; P673-F731 HydrophobicContact CG-CE1 3.68Å; P673-F731 HydrophobicContact CG-CE2 3.92Å; P673-F731 HydrophobicContact CG-CZ 3.46Å; P673-F731 VanDerWaalsContact CG-CZ 3.46Å; Q729-F731 HydrophobicContact CB-CE2 4.09Å; F731-V777 HydrophobicContact CE2-CG1 3.75Å; F731-V777 HydrophobicContact CZ-CG1 3.91Å; F731-A781 HydrophobicContact CB-CB 4.05Å; F731-A781 HydrophobicContact CD1-CB 3.49Å; F731-A781 VanDerWaalsContact CD1-CB 3.49Å; F731-A781 HydrophobicContact CD2-CB 3.96Å; F731-A781 HydrophobicContact CE1-CB 3.81Å; F731-A781 HydrophobicContact CE2-CB 4.28Å; F731-A781 HydrophobicContact CG-CB 3.56Å; F731-A781 HydrophobicContact CZ-CB 4.2Å; F731-A790 VanDerWaalsContact O-CA 3.32Å; F731-A790 WeakPolarHBondContact O-CA 3.42Å; F731-V791 HydrophobicContact CB-CB 4.17Å; F731-V791 PolarHBondContact N-O 2.97Å; F731-V791 PolarHBondContact O-N 3.34Å; F731-L793 HydrophobicContact CD2-CD2 4.03Å; F731-L793 HydrophobicContact CE2-CD2 3.81Å
732	L	90.7	Very high	73.7	Confident	20 Å²	20	33.8 Å²	33.8	11%	0.105	17%	0.17	C	C	.	.			trans	-121.6	142.7	-176	-60.1	170	0	0	0	110.9	L565 T670 L674 L730 N734 Y754 A790 L835	L565-L732 HydrophobicContact CD1-CD1 4.13Å; L565-L732 HydrophobicContact CD2-CD1 4.09Å; T670-L732 WeakPolarHBondContact CA-O 3.3Å; T670-L732 VanDerWaalsContact CB-O 3.25Å; T670-L732 WeakPolarHBondContact CB-O 3.35Å; T670-L732 PolarHBondContact OG1-N 3.03Å; T670-L732 PolarHBondContact OG1-O 2.93Å; L674-L732 HydrophobicContact CD1-CD1 4.2Å; L730-L732 HydrophobicContact CD1-CD2 4.28Å; L730-L732 HydrophobicContact CD2-CD2 4.09Å; L730-L732 HydrophobicContact CG-CD2 3.92Å; L730-L732 HydrophobicContact CG-CG 4.37Å; L732-N734 PolarHBondContact O-N 2.89Å; L732-Y754 HydrophobicContact CD2-CD2 4.11Å; L732-Y754 HydrophobicContact CD2-CE2 4.27Å; L732-A790 HydrophobicContact CD2-CB 4.17Å; L732-L835 HydrophobicContact CD1-CD1 3.63Å; L732-L835 HydrophobicContact CD2-CB 4.15Å; L732-L835 HydrophobicContact CD2-CD1 4.2Å
733	P	87.3	Confident	72.1	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.032	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-55.8	135.9	167.3	-24.6	35.2	0	0	0	111.9	Y754 C785 G788	P733-Y754 HydrophobicContact CB-CE1 4.15Å; P733-Y754 HydrophobicContact CG-CD1 3.82Å; P733-Y754 HydrophobicContact CG-CE1 3.92Å; P733-C785 HydrophobicContact CG-CB 4.4Å; P733-G788 VanDerWaalsContact CG-C 3.43Å; P733-G788 WeakPolarHBondContact CG-O 3.17Å
734	N	76.7	Confident	70.3	Confident	17 Å²	17	37.9 Å²	37.9	9%	0.091	20%	0.198	C	C	.	.			trans	-75.2	134.9	173.6	-155.2	-5.2	0	0	0	109.8	Y668 P669 L732 N736 H737 S738	Y668-N734 PolarHBondContact O-ND2 3.27Å; P669-N734 WeakPolarHBondContact O-CB 3.22Å; P669-N734 PolarHBondContact O-N 2.69Å; L732-N734 PolarHBondContact O-N 2.89Å; N734-N736 PolarHBondContact O-N 3.44Å; N734-H737 PolarHBondContact O-N 3.23Å; N734-S738 PolarHBondContact O-N 3.04Å; N734-S738 VanDerWaalsContact O-N 3.15Å
735	C	56.3	Low	68	Low	50 Å²	50	43.4 Å²	43.4	34%	0.338	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.4	-161.8	-45.4	0	0	0	0	115.1
736	N	50	Low	65.2	Low	101 Å²	101	49.1 Å²	49.1	54%	0.54	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.6	179.3	-75.7	25	0	0	0	114.1	N561 N734	N561-N736 VanDerWaalsContact CG-CG 3.45Å; N561-N736 PolarHBondContact ND2-ND2 2.94Å; N561-N736 PolarHBondContact OD1-ND2 3.42Å; N734-N736 PolarHBondContact O-N 3.44Å
737	H	50.2	Low	62.2	Low	74 Å²	74	55.4 Å²	55.4	34%	0.343	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-15.9	-176.8	-65.3	-54.8	0	0	0	113	N734 R739	N734-H737 PolarHBondContact O-N 3.23Å; H737-R739 PolarHBondContact O-N 2.91Å
738	S	49.1	Very low	59.2	Low	9 Å²	9	60.8 Å²	60.8	6%	0.063	35%	0.346	C	S	.	.			trans	-73.9	112	174.8	102.8	0	0	0	0	110	N734 L740 L741	N734-S738 PolarHBondContact O-N 3.04Å; N734-S738 VanDerWaalsContact O-N 3.15Å; S738-L740 PolarHBondContact OG-O 3.44Å; S738-L741 WeakPolarHBondContact OG-CD2 3.2Å; S738-L741 PolarHBondContact OG-N 3.3Å
739	R	48.8	Very low	56.1	Low	166 Å²	166	65.9 Å²	65.9	63%	0.626	38%	0.377	S	S	*	.	S	Bend	trans	-68.4	-27.8	165.4	-69.1	-171.2	-173	164.8	10	111.2	N13 H737 L741	N13-R739 PolarHBondContact ND2-NH1 3.47Å; N13-R739 PolarHBondContact OD1-NH1 3.41Å; N13-R739 PolarHBondContact OD1-NH2 3.29Å; H737-R739 PolarHBondContact O-N 2.91Å; R739-L741 PolarHBondContact O-N 3.48Å
740	L	52.2	Low	53.4	Low	37 Å²	37	70.3 Å²	70.3	19%	0.194	41%	0.408	C	S	.	.	S	Bend	trans	-92.8	75	175.1	-55.2	168.9	0	0	0	106.5	S738 Y754 P755 Y789 C978	S738-L740 PolarHBondContact OG-O 3.44Å; L740-Y754 WeakPolarHBondContact O-CE1 3.4Å; L740-P755 HydrophobicContact CB-CG 4.45Å; L740-P755 HydrophobicContact CD1-CG 3.65Å; L740-Y789 HydrophobicContact CD1-CE1 4.43Å; L740-C978 WeakPolarHBondContact CD1-SG 3.39Å; L740-C978 HydrophobicContact CD2-CB 4.47Å
741	L	47	Very low	51.4	Low	102 Å²	102	74.7 Å²	74.7	53%	0.534	43%	0.427	S	S	.	.			trans	-70.3	139.6	166.5	-76.4	169.8	0	0	0	108	S738 R739 V743	S738-L741 WeakPolarHBondContact OG-CD2 3.2Å; S738-L741 PolarHBondContact OG-N 3.3Å; R739-L741 PolarHBondContact O-N 3.48Å; L741-V743 PolarHBondContact O-N 3.05Å; L741-V743 VanDerWaalsContact O-N 3.12Å
742	P	47.6	Very low	50.2	Low	9 Å²	9	76 Å²	76	6%	0.058	44%	0.439	C	S	.	.			trans	-59	120.2	166.1	25.7	-29.4	0	0	0	106	S744 F751 A752 Y754	P742-S744 PolarHBondContact O-N 2.67Å; P742-S744 PolarHBondContact O-OG 3.33Å; P742-F751 HydrophobicContact CB-CD1 3.72Å; P742-F751 HydrophobicContact CB-CE1 3.66Å; P742-F751 HydrophobicContact CB-CZ 4.49Å; P742-F751 HydrophobicContact CG-CD1 3.94Å; P742-F751 HydrophobicContact CG-CE1 3.32Å; P742-F751 HydrophobicContact CG-CZ 3.95Å; P742-A752 VanDerWaalsContact CA-O 3.23Å; P742-A752 WeakPolarHBondContact CA-O 3.24Å; P742-A752 WeakPolarHBondContact CB-O 3.44Å; P742-Y754 VanDerWaalsContact CD-CE1 3.5Å; P742-Y754 VanDerWaalsContact CD-CZ 3.42Å; P742-Y754 WeakPolarHBondContact CD-OH 3.37Å; P742-Y754 HydrophobicContact CG-CE1 4.22Å; P742-Y754 HydrophobicContact CG-CE2 3.98Å
743	V	35.8	Very low	50	Low	102 Å²	102	75.3 Å²	75.3	62%	0.618	44%	0.437	S	S	*	.	S	Bend	trans	-50.5	105.4	-170.2	178.9	0	0	0	0	109.3	L741	L741-V743 PolarHBondContact O-N 3.05Å; L741-V743 VanDerWaalsContact O-N 3.12Å
744	S	38.8	Very low	50.1	Low	62 Å²	62	75.6 Å²	75.6	43%	0.434	44%	0.438	S	S	.	.			trans	-157.9	117.8	167.6	60.1	0	0	0	0	111.4	P742 F751	P742-S744 PolarHBondContact O-N 2.67Å; P742-S744 PolarHBondContact O-OG 3.33Å; S744-F751 VanDerWaalsContact OG-CE2 3.25Å; S744-F751 WeakPolarHBondContact OG-CE2 3.31Å
745	S	34.9	Very low	51	Low	119 Å²	119	74.9 Å²	74.9	83%	0.832	43%	0.434	S	S	*	.	S	Bend		157	53.1	127.2	55.3	0	0	0	0	112.2
746	V	31.7	Very low	52.9	Low	125 Å²	125	72.5 Å²	72.5	76%	0.758	42%	0.418	S	S	*	.	S	Bend	trans	-138.4	107.1	146.8	-169.9	0	0	0	0	106.1
747	D	31.3	Very low	55.2	Low	132 Å²	132	67.7 Å²	67.7	71%	0.706	39%	0.392	S	S	*	.	S	Bend	trans	56.9	99.4	166.4	-53.3	-29.4	0	0	0	119	V749	D747-V749 PolarHBondContact O-N 3.11Å
748	S	31.6	Very low	57.5	Low	134 Å²	134	64.1 Å²	64.1	94%	0.937	38%	0.376	S	S	*	.	S	Bend	trans	62.2	12	149	63.1	0	0	0	0	121.1
749	V	32.2	Very low	59.8	Low	107 Å²	107	64.2 Å²	64.2	65%	0.648	38%	0.375	S	S	*	.			trans	-95	133.7	175.9	-175.1	0	0	0	0	111.6	D747	D747-V749 PolarHBondContact O-N 3.11Å
750	S	40.2	Very low	62.1	Low	96 Å²	96	56.4 Å²	56.4	67%	0.671	35%	0.346	S	S	*	.			trans	-45.4	134.8	177.4	52.5	0	0	0	0	113.3	A752	S750-A752 PolarHBondContact O-N 3.21Å
751	F	54	Low	64.2	Low	93 Å²	93	57.3 Å²	57.3	41%	0.408	35%	0.347	S	S	.	.			trans	-52.4	105.8	169.9	-128.4	-102.2	0	0	0	109.1	P566 P742 S744	P566-F751 HydrophobicContact CG-CE1 4.32Å; P566-F751 HydrophobicContact CG-CE2 4.11Å; P566-F751 HydrophobicContact CG-CZ 3.75Å; P742-F751 HydrophobicContact CB-CD1 3.72Å; P742-F751 HydrophobicContact CB-CE1 3.66Å; P742-F751 HydrophobicContact CB-CZ 4.49Å; P742-F751 HydrophobicContact CG-CD1 3.94Å; P742-F751 HydrophobicContact CG-CE1 3.32Å; P742-F751 HydrophobicContact CG-CZ 3.95Å; S744-F751 VanDerWaalsContact OG-CE2 3.25Å; S744-F751 WeakPolarHBondContact OG-CE2 3.31Å
752	A	68	Low	66.3	Low	35 Å²	35	52.5 Å²	52.5	29%	0.289	32%	0.323	S	S	.	.			trans	-79.7	124.6	172.6	0	0	0	0	0	107.9	P742 S750	P742-A752 VanDerWaalsContact CA-O 3.23Å; P742-A752 WeakPolarHBondContact CA-O 3.24Å; P742-A752 WeakPolarHBondContact CB-O 3.44Å; S750-A752 PolarHBondContact O-N 3.21Å
753	G	85.4	Confident	68.2	Low	6 Å²	6	52.1 Å²	52.1	6%	0.062	32%	0.32	C	S	.	.			trans	-58.2	174.6	-179.2	0	0	0	0	0	114.1	D837 R840	G753-D837 WeakPolarHBondContact O-CB 3.42Å; G753-R840 PolarHBondContact O-NH2 3.28Å; G753-R840 VanDerWaalsContact O-NH2 3.12Å
754	Y	90.6	Very high	70.9	Confident	11 Å²	11	47.5 Å²	47.5	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.2	176.3	-65.3	-90.8	0	0	0	111	L732 P733 L740 P742 T756 A790 L835 D837	L732-Y754 HydrophobicContact CD2-CD2 4.11Å; L732-Y754 HydrophobicContact CD2-CE2 4.27Å; P733-Y754 HydrophobicContact CB-CE1 4.15Å; P733-Y754 HydrophobicContact CG-CD1 3.82Å; P733-Y754 HydrophobicContact CG-CE1 3.92Å; L740-Y754 WeakPolarHBondContact O-CE1 3.4Å; P742-Y754 VanDerWaalsContact CD-CE1 3.5Å; P742-Y754 VanDerWaalsContact CD-CZ 3.42Å; P742-Y754 WeakPolarHBondContact CD-OH 3.37Å; P742-Y754 HydrophobicContact CG-CE1 4.22Å; P742-Y754 HydrophobicContact CG-CE2 3.98Å; Y754-T756 PolarHBondContact O-N 2.72Å; Y754-T756 PolarHBondContact O-OG1 2.93Å; Y754-A790 HydrophobicContact CG-CB 4.42Å; Y754-L835 WeakPolarHBondContact CD2-O 3.31Å; Y754-L835 HydrophobicContact CE2-CD2 4.29Å; Y754-L835 PolarHBondContact N-O 3.35Å; Y754-D837 PolarHBondContact O-N 3.41Å
755	P	94.8	Very high	73.3	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.013	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	132.7	162.4	26.5	-28.6	0	0	0	108.3	L740 Y789 A790 R840 L977	L740-P755 HydrophobicContact CB-CG 4.45Å; L740-P755 HydrophobicContact CD1-CG 3.65Å; P755-Y789 HydrophobicContact CB-CD1 4Å; P755-Y789 HydrophobicContact CB-CE1 4.25Å; P755-Y789 HydrophobicContact CG-CD1 4Å; P755-Y789 HydrophobicContact CG-CE1 4.28Å; P755-Y789 CarbonylContact O-C 3.39Å; P755-Y789 WeakPolarHBondContact O-CA 3.43Å; P755-A790 PolarHBondContact O-N 2.79Å; P755-R840 WeakPolarHBondContact CA-O 3.34Å; P755-R840 HydrophobicContact CB-CB 3.93Å; P755-L977 HydrophobicContact CB-CB 4.31Å; P755-L977 HydrophobicContact CB-CD1 4.34Å
756	T	96.4	Very high	76	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.7	-164.7	-60.8	0	0	0	0	111.2	Y754 A790 F792 I836 R840 V841 A842	Y754-T756 PolarHBondContact O-N 2.72Å; Y754-T756 PolarHBondContact O-OG1 2.93Å; T756-A790 CarbonylContact C-O 3.51Å; T756-A790 WeakPolarHBondContact CA-O 3.32Å; T756-A790 HydrophobicContact CG2-CB 4.44Å; T756-F792 HydrophobicContact CG2-CB 3.78Å; T756-I836 HydrophobicContact CG2-CG1 4.44Å; T756-I836 HydrophobicContact CG2-CG2 4.31Å; T756-R840 PolarHBondContact N-O 3.48Å; T756-V841 WeakPolarHBondContact O-CA 3.45Å; T756-A842 PolarHBondContact O-N 2.79Å
757	L	97.9	Very high	79.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.5	164.5	-175.2	67.6	0	0	0	108.8	F759 F784 A790 V791 F792 A842 M844 L973	L757-F759 PolarHBondContact O-N 3.2Å; L757-F784 HydrophobicContact CD2-CB 4.45Å; L757-F784 HydrophobicContact CD2-CD1 3.91Å; L757-F784 HydrophobicContact CD2-CD2 3.36Å; L757-F784 HydrophobicContact CD2-CE1 3.96Å; L757-F784 HydrophobicContact CD2-CE2 3.42Å; L757-F784 VanDerWaalsContact CD2-CE2 3.42Å; L757-F784 HydrophobicContact CD2-CG 3.64Å; L757-F784 HydrophobicContact CD2-CZ 3.73Å; L757-A790 PolarHBondContact N-O 3.43Å; L757-V791 WeakPolarHBondContact O-CA 3.35Å; L757-F792 PolarHBondContact O-N 3.33Å; L757-A842 CarbonylContact C-O 3.57Å; L757-A842 WeakPolarHBondContact CA-O 3.32Å; L757-A842 HydrophobicContact CD1-CB 4.04Å; L757-M844 HydrophobicContact CD1-CB 3.71Å; L757-M844 HydrophobicContact CD2-CE 3.89Å; L757-M844 HydrophobicContact CD2-SD 4.49Å; L757-M844 HydrophobicContact CG-CB 4.45Å; L757-L973 HydrophobicContact CD1-CD1 4.27Å
758	H	98.4	Very high	82.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	98.7	168.7	-168.1	175.6	0	0	0	108.8	V760 F792 H822 V841 A842 I843 M844 Y864	H758-V760 VanDerWaalsContact CD2-CG1 3.44Å; H758-V760 WeakPolarHBondContact CD2-CG1 3.34Å; H758-F792 CarbonylContact C-O 3.59Å; H758-F792 VanDerWaalsContact CA-O 3.31Å; H758-F792 WeakPolarHBondContact CA-O 3.49Å; H758-F792 AromaticContact CD2-CD1 3.62Å; H758-F792 PolarHBondContact CD2-O 3.18Å; H758-F792 AromaticContact CE1-CE1 3.98Å; H758-F792 AromaticContact NE2-CD1 3.66Å; H758-F792 AromaticContact NE2-CE1 3.69Å; H758-H822 AromaticContact CE1-CG 3.92Å; H758-H822 AromaticContact CE1-ND1 3.33Å; H758-H822 PolarHBondContact CE1-ND1 2.66Å; H758-H822 VanDerWaalsContact CE1-ND1 3.33Å; H758-H822 AromaticContact NE2-CE1 3.93Å; H758-H822 AromaticContact NE2-ND1 3.07Å; H758-H822 PolarHBondContact NE2-ND1 3.08Å; H758-V841 HydrophobicContact CB-CG1 4.19Å; H758-A842 PolarHBondContact N-O 2.9Å; H758-I843 WeakPolarHBondContact O-CA 3.38Å; H758-M844 PolarHBondContact O-N 2.66Å; H758-Y864 HydrophobicContact CB-CE1 4.14Å; H758-Y864 PolarHBondContact CE1-OH 3.45Å; H758-Y864 AromaticContact ND1-CE1 3.67Å; H758-Y864 AromaticContact ND1-CZ 3.77Å; H758-Y864 PolarHBondContact ND1-OH 3.19Å
759	F	98	Very high	85.2	Confident	11 Å²	11	27.2 Å²	27.2	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.1	178.2	-173.8	-116.4	0	0	0	110.2	L757 L768 V777 H780 V791 F792 L793 M844 Y846	L757-F759 PolarHBondContact O-N 3.2Å; F759-L768 HydrophobicContact CD1-CD2 4.12Å; F759-L768 HydrophobicContact CE1-CD1 4.31Å; F759-L768 HydrophobicContact CE1-CD2 4.38Å; F759-V777 HydrophobicContact CE1-CG2 4.48Å; F759-H780 AromaticContact CE2-CE1 3.93Å; F759-H780 AromaticContact CE2-ND1 3.85Å; F759-H780 AromaticContact CZ-CE1 3.79Å; F759-H780 AromaticContact CZ-ND1 3.57Å; F759-V791 HydrophobicContact CB-CG1 4.12Å; F759-F792 PolarHBondContact N-O 3.17Å; F759-L793 VanDerWaalsContact O-CB 3.26Å; F759-L793 WeakPolarHBondContact O-CB 3.48Å; F759-M844 WeakPolarHBondContact CA-O 3.31Å; F759-M844 HydrophobicContact CD2-CE 3.63Å; F759-M844 WeakPolarHBondContact CD2-O 2.93Å; F759-M844 HydrophobicContact CE2-CE 3.79Å; F759-Y846 HydrophobicContact CE2-CD2 4.05Å; F759-Y846 HydrophobicContact CE2-CE2 4.01Å; F759-Y846 HydrophobicContact CZ-CD2 4.39Å
760	V	97.6	Very high	88.3	Confident	2 Å²	2	27 Å²	27	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.5	-169.8	-60.6	0	0	0	0	113.1	H758 I843 M844 G845 L852	H758-V760 VanDerWaalsContact CD2-CG1 3.44Å; H758-V760 WeakPolarHBondContact CD2-CG1 3.34Å; V760-I843 HydrophobicContact CG1-CD1 3.98Å; V760-I843 HydrophobicContact CG1-CG1 3.97Å; V760-I843 HydrophobicContact CG2-CD1 3.91Å; V760-I843 HydrophobicContact CG2-CG1 3.74Å; V760-M844 PolarHBondContact N-O 3.06Å; V760-G845 WeakPolarHBondContact O-CA 3.44Å; V760-L852 HydrophobicContact CG2-CB 4.44Å
761	Y	96.7	Very high	90.8	Very high	55 Å²	55	22.4 Å²	22.4	22%	0.216	12%	0.122	C	C	.	.			trans	-124.4	-62.8	158.4	-174.6	-96.8	0	0	0	109.8	G763 I766 F848 G849 L852	Y761-G763 VanDerWaalsContact CD1-N 3.32Å; Y761-G763 PolarHBondContact O-N 3.02Å; Y761-I766 HydrophobicContact CD1-CB 3.54Å; Y761-I766 HydrophobicContact CD1-CG1 3.87Å; Y761-I766 HydrophobicContact CD1-CG2 3.65Å; Y761-I766 HydrophobicContact CE1-CB 3.45Å; Y761-I766 VanDerWaalsContact CE1-CB 3.45Å; Y761-I766 HydrophobicContact CE1-CG1 3.27Å; Y761-I766 HydrophobicContact CE1-CG2 4Å; Y761-I766 HydrophobicContact CG-CG2 4.19Å; Y761-F848 HydrophobicContact CE1-CB 4.28Å; Y761-F848 HydrophobicContact CE2-CB 4.04Å; Y761-F848 CarbonylContact O-C 3.59Å; Y761-F848 WeakPolarHBondContact O-CD1 3.41Å; Y761-G849 WeakPolarHBondContact O-CA 3.24Å; Y761-G849 PolarHBondContact O-N 2.78Å; Y761-L852 WeakPolarHBondContact O-CD1 3.23Å
762	G	90	Very high	92.8	Very high	2 Å²	2	19 Å²	19	2%	0.021	11%	0.11	C	C	.	.			trans	67.4	-5	172.2	0	0	0	0	0	116.6
763	G	87.9	Confident	93.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.			trans	-80.8	160.6	177.9	0	0	0	0	0	114.3	Y761 F848	Y761-G763 VanDerWaalsContact CD1-N 3.32Å; Y761-G763 PolarHBondContact O-N 3.02Å; G763-F848 VanDerWaalsContact N-CD1 3.34Å
764	P	93	Very high	94.2	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.039	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	159	176.1	26.2	-33.6	0	0	0	113	I766 I810 Y883 Y887	P764-I766 PolarHBondContact O-N 3.35Å; P764-I810 HydrophobicContact CB-CD1 3.56Å; P764-I810 HydrophobicContact CG-CD1 3.62Å; P764-Y883 WeakPolarHBondContact CD-OH 3.22Å; P764-Y883 HydrophobicContact CG-CE2 4.44Å; P764-Y883 WeakPolarHBondContact CG-OH 3.29Å; P764-Y887 HydrophobicContact CB-CD1 4.22Å; P764-Y887 HydrophobicContact CB-CE1 3.5Å; P764-Y887 HydrophobicContact CB-CE2 4.27Å; P764-Y887 HydrophobicContact CG-CD1 3.99Å; P764-Y887 HydrophobicContact CG-CD2 3.93Å; P764-Y887 HydrophobicContact CG-CE1 3.56Å; P764-Y887 HydrophobicContact CG-CE2 3.51Å; P764-Y887 HydrophobicContact CG-CG 4.17Å
765	G	88.4	Confident	94.1	Very high	53 Å²	53	25.3 Å²	25.3	55%	0.546	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-7.6	179.1	0	0	0	0	0	114.2	S800	G765-S800 WeakPolarHBondContact CA-OG 3.49Å; G765-S800 PolarHBondContact N-OG 3.35Å; G765-S800 VanDerWaalsContact N-OG 3.09Å
766	I	93.1	Very high	93.6	Very high	62 Å²	62	28 Å²	28	32%	0.318	15%	0.149	S	C	.	.			trans	-124.9	139.2	-174.3	-59.3	-62.2	0	0	0	110.6	Y761 P764 S799 S800	Y761-I766 HydrophobicContact CD1-CB 3.54Å; Y761-I766 HydrophobicContact CD1-CG1 3.87Å; Y761-I766 HydrophobicContact CD1-CG2 3.65Å; Y761-I766 HydrophobicContact CE1-CB 3.45Å; Y761-I766 VanDerWaalsContact CE1-CB 3.45Å; Y761-I766 HydrophobicContact CE1-CG1 3.27Å; Y761-I766 HydrophobicContact CE1-CG2 4Å; Y761-I766 HydrophobicContact CG-CG2 4.19Å; P764-I766 PolarHBondContact O-N 3.35Å; I766-S799 WeakPolarHBondContact O-CA 3.25Å; I766-S799 VanDerWaalsContact O-CB 3.3Å; I766-S799 WeakPolarHBondContact O-CB 3.47Å; I766-S800 PolarHBondContact N-OG 2.73Å; I766-S800 PolarHBondContact O-N 3.36Å; I766-S800 VanDerWaalsContact O-N 3.08Å
767	Q	95	Very high	93.4	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.028	15%	0.151	C	C	.	.			trans	-117	115.8	163.5	-178.2	-172.7	19.5	0	0	106.8	P517 V769 R770 D795 N801	P517-Q767 PolarHBondContact O-NE2 3.2Å; Q767-V769 WeakPolarHBondContact CG-O 3.38Å; Q767-V769 PolarHBondContact NE2-O 2.87Å; Q767-R770 HydrophobicContact CG-CG 4.41Å; Q767-R770 PolarHBondContact O-NE 3.3Å; Q767-R770 PolarHBondContact O-NH2 2.97Å; Q767-D795 VanDerWaalsContact CG-OD2 3.23Å; Q767-D795 WeakPolarHBondContact CG-OD2 3.37Å; Q767-N801 PolarHBondContact OE1-ND2 2.83Å
768	L	95.7	Very high	93	Very high	24 Å²	24	28.7 Å²	28.7	13%	0.126	15%	0.152	C	C	.	.			trans	-86.9	-39.2	-178.1	-173.2	65.3	0	0	0	111	F759 V777 L793 D795	F759-L768 HydrophobicContact CD1-CD2 4.12Å; F759-L768 HydrophobicContact CE1-CD1 4.31Å; F759-L768 HydrophobicContact CE1-CD2 4.38Å; L768-V777 HydrophobicContact CD1-CG2 3.81Å; L768-V777 HydrophobicContact CG-CG2 4.36Å; L768-L793 HydrophobicContact CD2-CB 4.06Å; L768-L793 HydrophobicContact CD2-CD1 3.9Å; L768-L793 HydrophobicContact CG-CD1 3.73Å; L768-D795 WeakPolarHBondContact CB-OD1 3.41Å; L768-D795 PolarHBondContact N-OD1 2.93Å; L768-D795 PolarHBondContact N-OD2 2.97Å
769	V	96.8	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.			trans	-84.8	114.7	179.4	-177.6	0	0	0	0	109.4	L518 Q729 Q767 L793 D795	L518-V769 HydrophobicContact CD1-CG1 4.32Å; L518-V769 HydrophobicContact CD2-CG1 4.14Å; L518-V769 VanDerWaalsContact CD2-O 3.31Å; L518-V769 WeakPolarHBondContact CD2-O 3.49Å; Q729-V769 HydrophobicContact CG-CG1 3.95Å; Q767-V769 WeakPolarHBondContact CG-O 3.38Å; Q767-V769 PolarHBondContact NE2-O 2.87Å; V769-L793 HydrophobicContact CG2-CD1 3.98Å; V769-L793 HydrophobicContact CG2-CG 4.3Å; V769-D795 WeakPolarHBondContact CB-OD2 3.5Å; V769-D795 HydrophobicContact CG2-CB 4.49Å; V769-D795 PolarHBondContact N-OD2 2.94Å
770	R	95.7	Very high	92.2	Very high	102 Å²	102	29.4 Å²	29.4	39%	0.385	16%	0.159	S	C	.	.			trans	-136.2	153.1	-179.1	-56.2	178.7	-170.6	-175	-1.3	109.8	L612 Q729 Q767 S772	L612-R770 WeakPolarHBondContact CD2-O 3.5Å; Q729-R770 PolarHBondContact NE2-O 2.7Å; Q767-R770 HydrophobicContact CG-CG 4.41Å; Q767-R770 PolarHBondContact O-NE 3.3Å; Q767-R770 PolarHBondContact O-NH2 2.97Å; R770-S772 PolarHBondContact O-N 3.46Å
771	G	94.4	Very high	91.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-78.7	8.3	171.8	0	0	0	0	0	113.6	L518 S611	L518-G771 WeakPolarHBondContact O-CA 3.35Å; L518-G771 PolarHBondContact O-N 2.95Å; S611-G771 WeakPolarHBondContact CA-O 3.47Å
772	S	94.3	Very high	91.6	Very high	22 Å²	22	26.7 Å²	26.7	15%	0.154	15%	0.148	C	C	.	.	S	Bend	trans	-115.8	165.1	-175.1	66.7	0	0	0	0	112	R770 S774	R770-S772 PolarHBondContact O-N 3.46Å; S772-S774 PolarHBondContact O-N 2.98Å
773	Y	92.5	Very high	91.6	Very high	41 Å²	41	26.6 Å²	26.6	16%	0.161	15%	0.147	C	C	.	.			trans	-65.5	124.9	176	168.8	-108.4	0	0	0	111.1	S610 S611 L615 V616 H660 R775 F778	S610-Y773 PolarHBondContact OG-N 2.85Å; S610-Y773 VanDerWaalsContact OG-N 3.1Å; S611-Y773 PolarHBondContact O-N 3.34Å; L615-Y773 HydrophobicContact CD2-CD1 4.33Å; L615-Y773 HydrophobicContact CD2-CD2 3.62Å; L615-Y773 HydrophobicContact CD2-CE1 3.97Å; L615-Y773 HydrophobicContact CD2-CE2 3.22Å; L615-Y773 HydrophobicContact CD2-CG 4.15Å; V616-Y773 HydrophobicContact CG2-CD1 3.99Å; H660-Y773 AromaticContact NE2-CD2 3.41Å; H660-Y773 WeakPolarHBondContact NE2-CD2 3.45Å; Y773-R775 HydrophobicContact CE1-CB 4.05Å; Y773-R775 WeakPolarHBondContact OH-CA 3.32Å; Y773-F778 HydrophobicContact CD2-CB 4.13Å; Y773-F778 HydrophobicContact CD2-CG 4.28Å; Y773-F778 HydrophobicContact CE2-CB 3.64Å; Y773-F778 AromaticContact CE2-CD1 3.63Å; Y773-F778 HydrophobicContact CE2-CD1 3.63Å; Y773-F778 HydrophobicContact CE2-CE1 4.41Å; Y773-F778 AromaticContact CE2-CG 3.74Å; Y773-F778 HydrophobicContact CE2-CG 3.74Å
774	S	91.5	Very high	91.9	Very high	36 Å²	36	26.7 Å²	26.7	25%	0.252	15%	0.147	S	C	.	.			trans	-115.6	117.6	166.9	170.8	0	0	0	0	109.2	S772 S776 V777 F778	S772-S774 PolarHBondContact O-N 2.98Å; S774-S776 VanDerWaalsContact C-N 3.29Å; S774-S776 PolarHBondContact O-N 3.03Å; S774-V777 PolarHBondContact O-N 3.37Å; S774-F778 WeakPolarHBondContact O-CB 3.37Å; S774-F778 PolarHBondContact O-N 3.05Å
775	R	87.5	Confident	91.8	Very high	107 Å²	107	26.4 Å²	26.4	40%	0.404	15%	0.146	S	C	.	.	H	α-helix	trans	-56	-43	-178.7	-178.2	176	-178.3	156	5.2	112.7	L29 H30 Y773 A779	L29-R775 HydrophobicContact CD1-CG 4.37Å; H30-R775 PolarHBondContact CD2-NH2 2.96Å; H30-R775 VanDerWaalsContact CD2-NH2 3.31Å; H30-R775 PolarHBondContact CE1-NH2 2.96Å; H30-R775 PolarHBondContact ND1-NH2 3.42Å; H30-R775 PolarHBondContact NE2-NH2 2.87Å; Y773-R775 HydrophobicContact CE1-CB 4.05Å; Y773-R775 WeakPolarHBondContact OH-CA 3.32Å; R775-A779 WeakPolarHBondContact O-CB 3.45Å; R775-A779 PolarHBondContact O-N 2.74Å
776	S	85.7	Confident	91.9	Very high	60 Å²	60	25.4 Å²	25.4	42%	0.42	13%	0.127	S	C	.	.	H	α-helix	trans	-68.5	-49	-178.2	178.5	0	0	0	0	111.8	S774 F778 A779 H780	S774-S776 VanDerWaalsContact C-N 3.29Å; S774-S776 PolarHBondContact O-N 3.03Å; S776-F778 PolarHBondContact O-N 3.31Å; S776-A779 PolarHBondContact O-N 3.49Å; S776-H780 PolarHBondContact O-N 3.3Å; S776-H780 VanDerWaalsContact O-N 3.1Å; S776-H780 PolarHBondContact O-ND1 3.3Å; S776-H780 VanDerWaalsContact O-ND1 3.12Å
777	V	92.1	Very high	91.8	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-46.1	179.2	175.5	0	0	0	0	110.2	F731 F759 L768 S774 H780 A781 L793	F731-V777 HydrophobicContact CE2-CG1 3.75Å; F731-V777 HydrophobicContact CZ-CG1 3.91Å; F759-V777 HydrophobicContact CE1-CG2 4.48Å; L768-V777 HydrophobicContact CD1-CG2 3.81Å; L768-V777 HydrophobicContact CG-CG2 4.36Å; S774-V777 PolarHBondContact O-N 3.37Å; V777-H780 PolarHBondContact O-N 3.42Å; V777-A781 VanDerWaalsContact O-CB 3.25Å; V777-A781 WeakPolarHBondContact O-CB 3.47Å; V777-A781 PolarHBondContact O-N 3.41Å; V777-L793 HydrophobicContact CG1-CD1 4.08Å; V777-L793 HydrophobicContact CG1-CD2 4.1Å; V777-L793 HydrophobicContact CG2-CD1 4.23Å
778	F	89.8	Confident	91.5	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-45.2	179.4	-176.8	-109.9	0	0	0	112.3	L29 L615 H660 F664 Y668 Y773 S774 S776 A781 Q782	L29-F778 HydrophobicContact CD2-CD1 4.09Å; L29-F778 HydrophobicContact CD2-CE1 4.07Å; L615-F778 HydrophobicContact CD2-CE1 4.39Å; H660-F778 HydrophobicContact CB-CE2 3.8Å; H660-F778 HydrophobicContact CB-CZ 3.71Å; H660-F778 AromaticContact CD2-CE2 3.96Å; H660-F778 AromaticContact CD2-CZ 3.91Å; H660-F778 AromaticContact CE1-CD2 3.8Å; H660-F778 AromaticContact CE1-CE2 3.75Å; H660-F778 AromaticContact CG-CE2 3.46Å; H660-F778 VanDerWaalsContact CG-CE2 3.46Å; H660-F778 AromaticContact CG-CZ 3.63Å; H660-F778 AromaticContact ND1-CD2 3.79Å; H660-F778 AromaticContact ND1-CE2 3.3Å; H660-F778 VanDerWaalsContact ND1-CE2 3.3Å; H660-F778 WeakPolarHBondContact ND1-CE2 3.49Å; H660-F778 AromaticContact ND1-CZ 3.97Å; F664-F778 HydrophobicContact CD2-CE1 4.43Å; F664-F778 HydrophobicContact CD2-CZ 4.45Å; F664-F778 HydrophobicContact CE2-CD1 4.41Å; F664-F778 AromaticContact CE2-CE1 3.39Å; F664-F778 HydrophobicContact CE2-CE1 3.39Å; F664-F778 AromaticContact CE2-CZ 3.72Å; F664-F778 HydrophobicContact CE2-CZ 3.72Å; F664-F778 AromaticContact CZ-CE1 3.91Å; F664-F778 HydrophobicContact CZ-CE1 3.91Å; Y668-F778 HydrophobicContact CE2-CE2 4.34Å; Y668-F778 HydrophobicContact CE2-CZ 4.41Å; Y773-F778 HydrophobicContact CD2-CB 4.13Å; Y773-F778 HydrophobicContact CD2-CG 4.28Å; Y773-F778 HydrophobicContact CE2-CB 3.64Å; Y773-F778 AromaticContact CE2-CD1 3.63Å; Y773-F778 HydrophobicContact CE2-CD1 3.63Å; Y773-F778 HydrophobicContact CE2-CE1 4.41Å; Y773-F778 AromaticContact CE2-CG 3.74Å; Y773-F778 HydrophobicContact CE2-CG 3.74Å; S774-F778 WeakPolarHBondContact O-CB 3.37Å; S774-F778 PolarHBondContact O-N 3.05Å; S776-F778 PolarHBondContact O-N 3.31Å; F778-A781 PolarHBondContact O-N 3.37Å; F778-Q782 HydrophobicContact CD1-CG 4.23Å; F778-Q782 HydrophobicContact CD2-CG 4.1Å; F778-Q782 HydrophobicContact CE1-CG 4Å; F778-Q782 HydrophobicContact CE2-CG 3.82Å; F778-Q782 HydrophobicContact CG-CG 4.29Å; F778-Q782 HydrophobicContact CZ-CG 3.77Å; F778-Q782 WeakPolarHBondContact O-CB 2.94Å; F778-Q782 WeakPolarHBondContact O-CG 3.24Å; F778-Q782 PolarHBondContact O-N 2.91Å
779	A	87.6	Confident	91.4	Very high	18 Å²	18	22 Å²	22	15%	0.149	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-49	178.2	0	0	0	0	0	112.1	L29 R775 S776 Q782 L783	L29-A779 HydrophobicContact CD1-CB 3.65Å; R775-A779 WeakPolarHBondContact O-CB 3.45Å; R775-A779 PolarHBondContact O-N 2.74Å; S776-A779 PolarHBondContact O-N 3.49Å; A779-Q782 PolarHBondContact O-N 2.85Å; A779-L783 WeakPolarHBondContact O-CB 3.34Å; A779-L783 PolarHBondContact O-N 2.94Å
780	H	90.7	Very high	91.3	Very high	7 Å²	7	22 Å²	22	3%	0.032	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-45.9	176.7	-70.6	131.3	0	0	0	111.5	F759 S776 V777 Q782 L783 F784 Y846 E966	F759-H780 AromaticContact CE2-CE1 3.93Å; F759-H780 AromaticContact CE2-ND1 3.85Å; F759-H780 AromaticContact CZ-CE1 3.79Å; F759-H780 AromaticContact CZ-ND1 3.57Å; S776-H780 PolarHBondContact O-N 3.3Å; S776-H780 VanDerWaalsContact O-N 3.1Å; S776-H780 PolarHBondContact O-ND1 3.3Å; S776-H780 VanDerWaalsContact O-ND1 3.12Å; V777-H780 PolarHBondContact O-N 3.42Å; H780-Q782 PolarHBondContact O-N 3.37Å; H780-L783 PolarHBondContact O-N 3.37Å; H780-F784 HydrophobicContact CB-CD2 4.02Å; H780-F784 HydrophobicContact CB-CE2 4.02Å; H780-F784 AromaticContact CD2-CE2 3.77Å; H780-F784 WeakPolarHBondContact O-CD2 3.43Å; H780-F784 PolarHBondContact O-N 2.95Å; H780-Y846 AromaticContact CE1-CE2 3.92Å; H780-E966 IonicContact CD2-OE1 3.56Å
781	A	92	Very high	91.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.1	-48.8	178.3	0	0	0	0	0	112	T670 F731 V777 F778 L783 C785	T670-A781 HydrophobicContact CG2-CB 4.4Å; F731-A781 HydrophobicContact CB-CB 4.05Å; F731-A781 HydrophobicContact CD1-CB 3.49Å; F731-A781 VanDerWaalsContact CD1-CB 3.49Å; F731-A781 HydrophobicContact CD2-CB 3.96Å; F731-A781 HydrophobicContact CE1-CB 3.81Å; F731-A781 HydrophobicContact CE2-CB 4.28Å; F731-A781 HydrophobicContact CG-CB 3.56Å; F731-A781 HydrophobicContact CZ-CB 4.2Å; V777-A781 VanDerWaalsContact O-CB 3.25Å; V777-A781 WeakPolarHBondContact O-CB 3.47Å; V777-A781 PolarHBondContact O-N 3.41Å; F778-A781 PolarHBondContact O-N 3.37Å; A781-L783 PolarHBondContact O-N 3.34Å; A781-C785 WeakPolarHBondContact O-CB 3.31Å; A781-C785 PolarHBondContact O-N 3.37Å; A781-C785 PolarHBondContact O-SG 3Å
782	Q	89.2	Confident	91.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.7	-44.8	178.6	-65	-72.7	-39.5	0	0	111.4	Y25 F664 P669 T670 F778 A779 H780 H786	Y25-Q782 HydrophobicContact CD1-CB 4.11Å; Y25-Q782 HydrophobicContact CE1-CB 3.83Å; F664-Q782 HydrophobicContact CE2-CG 4Å; P669-Q782 HydrophobicContact CG-CB 4.05Å; P669-Q782 WeakPolarHBondContact CG-O 3.41Å; T670-Q782 HydrophobicContact CG2-CG 4.38Å; F778-Q782 HydrophobicContact CD1-CG 4.23Å; F778-Q782 HydrophobicContact CD2-CG 4.1Å; F778-Q782 HydrophobicContact CE1-CG 4Å; F778-Q782 HydrophobicContact CE2-CG 3.82Å; F778-Q782 HydrophobicContact CG-CG 4.29Å; F778-Q782 HydrophobicContact CZ-CG 3.77Å; F778-Q782 WeakPolarHBondContact O-CB 2.94Å; F778-Q782 WeakPolarHBondContact O-CG 3.24Å; F778-Q782 PolarHBondContact O-N 2.91Å; A779-Q782 PolarHBondContact O-N 2.85Å; H780-Q782 PolarHBondContact O-N 3.37Å; Q782-H786 VanDerWaalsContact O-CB 3.31Å; Q782-H786 WeakPolarHBondContact O-CB 3.02Å; Q782-H786 PolarHBondContact O-N 2.92Å; Q782-H786 VanDerWaalsContact O-N 3.14Å
783	L	91.4	Very high	91.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-66.1	-51.2	-179.6	178	65.5	0	0	0	112.9	I21 A22 Y25 A779 H780 A781 H786 F787 E966 L970	I21-L783 HydrophobicContact CG2-CD1 3.98Å; A22-L783 HydrophobicContact CB-CD1 4.22Å; A22-L783 HydrophobicContact CB-CD2 4.25Å; Y25-L783 HydrophobicContact CD2-CB 4.24Å; Y25-L783 HydrophobicContact CD2-CD1 3.79Å; Y25-L783 HydrophobicContact CE2-CB 4.46Å; Y25-L783 HydrophobicContact CE2-CD1 4.01Å; A779-L783 WeakPolarHBondContact O-CB 3.34Å; A779-L783 PolarHBondContact O-N 2.94Å; H780-L783 PolarHBondContact O-N 3.37Å; A781-L783 PolarHBondContact O-N 3.34Å; L783-H786 WeakPolarHBondContact O-CB 3.1Å; L783-H786 PolarHBondContact O-N 2.93Å; L783-F787 HydrophobicContact CD1-CD2 4.36Å; L783-F787 HydrophobicContact CD1-CE2 3.93Å; L783-F787 WeakPolarHBondContact O-CD2 3.32Å; L783-E966 HydrophobicContact CD2-CB 3.6Å; L783-E966 HydrophobicContact CD2-CG 3.62Å; L783-L970 HydrophobicContact CD1-CD1 3.85Å; L783-L970 HydrophobicContact CD2-CD1 4.05Å; L783-L970 HydrophobicContact CG-CD1 3.95Å
784	F	93.6	Very high	91.9	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-73	-38.1	-174.9	-70.8	-66.3	0	0	0	112	L757 H780 H786 F787 G788 Y789 V791 M844 V969 L970 L973	L757-F784 HydrophobicContact CD2-CB 4.45Å; L757-F784 HydrophobicContact CD2-CD1 3.91Å; L757-F784 HydrophobicContact CD2-CD2 3.36Å; L757-F784 HydrophobicContact CD2-CE1 3.96Å; L757-F784 HydrophobicContact CD2-CE2 3.42Å; L757-F784 VanDerWaalsContact CD2-CE2 3.42Å; L757-F784 HydrophobicContact CD2-CG 3.64Å; L757-F784 HydrophobicContact CD2-CZ 3.73Å; H780-F784 HydrophobicContact CB-CD2 4.02Å; H780-F784 HydrophobicContact CB-CE2 4.02Å; H780-F784 AromaticContact CD2-CE2 3.77Å; H780-F784 WeakPolarHBondContact O-CD2 3.43Å; H780-F784 PolarHBondContact O-N 2.95Å; F784-H786 VanDerWaalsContact C-N 3.27Å; F784-H786 PolarHBondContact O-N 2.75Å; F784-F787 CarbonylContact O-C 3.59Å; F784-F787 PolarHBondContact O-N 3.31Å; F784-F787 VanDerWaalsContact O-N 3.1Å; F784-G788 PolarHBondContact O-N 2.94Å; F784-Y789 PolarHBondContact O-N 3.06Å; F784-Y789 VanDerWaalsContact O-N 3.09Å; F784-V791 HydrophobicContact CB-CG2 3.66Å; F784-V791 HydrophobicContact CD2-CG2 4.45Å; F784-V791 HydrophobicContact CG-CG2 4.45Å; F784-M844 HydrophobicContact CE2-CE 3.83Å; F784-M844 HydrophobicContact CZ-CE 4Å; F784-M844 HydrophobicContact CZ-SD 4.34Å; F784-V969 HydrophobicContact CE1-CG1 3.75Å; F784-V969 HydrophobicContact CZ-CG1 3.84Å; F784-L970 HydrophobicContact CD1-CD2 3.56Å; F784-L970 HydrophobicContact CD1-CG 4.26Å; F784-L970 HydrophobicContact CE1-CD2 3.75Å; F784-L970 HydrophobicContact CE1-CG 3.96Å; F784-L973 HydrophobicContact CD1-CD1 4.12Å; F784-L973 HydrophobicContact CE1-CD1 3.91Å
785	C	91.9	Very high	92.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.7	-30.2	174.3	-69.5	0	0	0	0	112.8	T670 P733 A781 F787 G788 Y789	T670-C785 HydrophobicContact CG2-CB 4.14Å; P733-C785 HydrophobicContact CG-CB 4.4Å; A781-C785 WeakPolarHBondContact O-CB 3.31Å; A781-C785 PolarHBondContact O-N 3.37Å; A781-C785 PolarHBondContact O-SG 3Å; C785-F787 PolarHBondContact O-N 2.75Å; C785-G788 PolarHBondContact O-N 3.22Å; C785-Y789 VanDerWaalsContact CA-O 3.26Å; C785-Y789 WeakPolarHBondContact CA-O 3.45Å; C785-Y789 PolarHBondContact N-O 3.34Å; C785-Y789 PolarHBondContact SG-O 2.96Å
786	H	89.8	Confident	92.5	Very high	32 Å²	32	7.8 Å²	7.8	15%	0.148	5%	0.047	C	C	.	.	H	α-helix	trans	-57.5	-36.9	171.8	175.4	95.6	0	0	0	112	Y25 F667 P669 Q782 L783 F784 G788	Y25-H786 HydrophobicContact CE2-CB 4.39Å; Y25-H786 WeakPolarHBondContact OH-CB 3.45Å; Y25-H786 PolarHBondContact OH-ND1 3.4Å; F667-H786 AromaticContact CE1-ND1 3.6Å; F667-H786 AromaticContact CZ-CE1 3.54Å; F667-H786 AromaticContact CZ-ND1 3.32Å; F667-H786 VanDerWaalsContact CZ-ND1 3.32Å; F667-H786 WeakPolarHBondContact CZ-ND1 3.45Å; P669-H786 HydrophobicContact CB-CB 3.74Å; P669-H786 HydrophobicContact CG-CB 4.37Å; Q782-H786 VanDerWaalsContact O-CB 3.31Å; Q782-H786 WeakPolarHBondContact O-CB 3.02Å; Q782-H786 PolarHBondContact O-N 2.92Å; Q782-H786 VanDerWaalsContact O-N 3.14Å; L783-H786 WeakPolarHBondContact O-CB 3.1Å; L783-H786 PolarHBondContact O-N 2.93Å; F784-H786 VanDerWaalsContact C-N 3.27Å; F784-H786 PolarHBondContact O-N 2.75Å; H786-G788 VanDerWaalsContact C-N 3.31Å
787	F	90.4	Very high	92.9	Very high	16 Å²	16	6.8 Å²	6.8	7%	0.07	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11	177.3	-67.2	-70.5	0	0	0	113.7	H17 F18 I21 L783 F784 C785 Y789 L970	H17-F787 AromaticContact CD2-CE1 3.8Å; H17-F787 AromaticContact CD2-CZ 3.94Å; F18-F787 AromaticContact CD1-CD1 3.94Å; F18-F787 HydrophobicContact CD1-CD1 3.94Å; F18-F787 HydrophobicContact CD1-CD2 4.21Å; F18-F787 AromaticContact CD1-CE1 3.53Å; F18-F787 HydrophobicContact CD1-CE1 3.53Å; F18-F787 AromaticContact CD1-CE2 3.82Å; F18-F787 HydrophobicContact CD1-CE2 3.82Å; F18-F787 HydrophobicContact CD1-CG 4.27Å; F18-F787 AromaticContact CD1-CZ 3.47Å; F18-F787 HydrophobicContact CD1-CZ 3.47Å; F18-F787 VanDerWaalsContact CD1-CZ 3.47Å; F18-F787 AromaticContact CE1-CD1 3.54Å; F18-F787 HydrophobicContact CE1-CD1 3.54Å; F18-F787 HydrophobicContact CE1-CD2 4.34Å; F18-F787 AromaticContact CE1-CE1 3.54Å; F18-F787 HydrophobicContact CE1-CE1 3.54Å; F18-F787 HydrophobicContact CE1-CE2 4.34Å; F18-F787 AromaticContact CE1-CG 3.96Å; F18-F787 HydrophobicContact CE1-CG 3.96Å; F18-F787 AromaticContact CE1-CZ 3.97Å; F18-F787 HydrophobicContact CE1-CZ 3.97Å; I21-F787 HydrophobicContact CB-CE2 4.2Å; I21-F787 HydrophobicContact CB-CZ 3.94Å; I21-F787 HydrophobicContact CG1-CZ 4.02Å; I21-F787 HydrophobicContact CG2-CE2 3.84Å; I21-F787 HydrophobicContact CG2-CZ 3.94Å; L783-F787 HydrophobicContact CD1-CD2 4.36Å; L783-F787 HydrophobicContact CD1-CE2 3.93Å; L783-F787 WeakPolarHBondContact O-CD2 3.32Å; F784-F787 CarbonylContact O-C 3.59Å; F784-F787 PolarHBondContact O-N 3.31Å; F784-F787 VanDerWaalsContact O-N 3.1Å; C785-F787 PolarHBondContact O-N 2.75Å; F787-Y789 HydrophobicContact CB-CD2 4.03Å; F787-Y789 HydrophobicContact CB-CE2 3.97Å; F787-L970 HydrophobicContact CB-CD2 3.97Å; F787-L970 HydrophobicContact CD2-CD1 3.55Å; F787-L970 HydrophobicContact CD2-CD2 3.53Å; F787-L970 HydrophobicContact CD2-CG 4.17Å; F787-L970 HydrophobicContact CE2-CD1 3.51Å; F787-L970 HydrophobicContact CE2-CD2 4.36Å; F787-L970 HydrophobicContact CG-CD2 3.98Å; F787-L970 HydrophobicContact CZ-CD1 4.49Å
788	G	89.4	Confident	92.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	10.2	172.2	0	0	0	0	0	115.5	P733 F784 C785 H786	P733-G788 VanDerWaalsContact CG-C 3.43Å; P733-G788 WeakPolarHBondContact CG-O 3.17Å; F784-G788 PolarHBondContact O-N 2.94Å; C785-G788 PolarHBondContact O-N 3.22Å; H786-G788 VanDerWaalsContact C-N 3.31Å
789	Y	93.2	Very high	93.2	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.016	3%	0.031	C	C	.	.			trans	-89.6	134.1	174.7	-58.6	-82.6	0	0	0	110.8	L740 P755 F784 C785 F787 L970 L973 E974 L977 C978	L740-Y789 HydrophobicContact CD1-CE1 4.43Å; P755-Y789 HydrophobicContact CB-CD1 4Å; P755-Y789 HydrophobicContact CB-CE1 4.25Å; P755-Y789 HydrophobicContact CG-CD1 4Å; P755-Y789 HydrophobicContact CG-CE1 4.28Å; P755-Y789 CarbonylContact O-C 3.39Å; P755-Y789 WeakPolarHBondContact O-CA 3.43Å; F784-Y789 PolarHBondContact O-N 3.06Å; F784-Y789 VanDerWaalsContact O-N 3.09Å; C785-Y789 VanDerWaalsContact CA-O 3.26Å; C785-Y789 WeakPolarHBondContact CA-O 3.45Å; C785-Y789 PolarHBondContact N-O 3.34Å; C785-Y789 PolarHBondContact SG-O 2.96Å; F787-Y789 HydrophobicContact CB-CD2 4.03Å; F787-Y789 HydrophobicContact CB-CE2 3.97Å; Y789-L970 HydrophobicContact CD2-CD2 4.48Å; Y789-L970 HydrophobicContact CE2-CD2 4.28Å; Y789-L973 HydrophobicContact CE1-CB 4.02Å; Y789-L973 HydrophobicContact CE2-CB 4.32Å; Y789-L973 WeakPolarHBondContact OH-CB 3.36Å; Y789-L973 PolarHBondContact OH-O 2.95Å; Y789-E974 WeakPolarHBondContact OH-CA 3.35Å; Y789-E974 PolarHBondContact OH-N 3.07Å; Y789-E974 VanDerWaalsContact OH-N 3.13Å; Y789-L977 HydrophobicContact CD1-CD1 4.18Å; Y789-L977 HydrophobicContact CE1-CB 4.07Å; Y789-L977 HydrophobicContact CE1-CD1 3.9Å; Y789-C978 PolarHBondContact OH-SG 3.46Å; Y789-C978 VanDerWaalsContact OH-SG 3.33Å
790	A	94.5	Very high	93.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147.5	162.8	0	0	0	0	0	109.5	L730 F731 L732 Y754 P755 T756 L757	L730-A790 HydrophobicContact CD1-CB 4.19Å; F731-A790 VanDerWaalsContact O-CA 3.32Å; F731-A790 WeakPolarHBondContact O-CA 3.42Å; L732-A790 HydrophobicContact CD2-CB 4.17Å; Y754-A790 HydrophobicContact CG-CB 4.42Å; P755-A790 PolarHBondContact O-N 2.79Å; T756-A790 CarbonylContact C-O 3.51Å; T756-A790 WeakPolarHBondContact CA-O 3.32Å; T756-A790 HydrophobicContact CG2-CB 4.44Å; L757-A790 PolarHBondContact N-O 3.43Å
791	V	97.1	Very high	93.5	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.012	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.8	174	-177.1	0	0	0	0	108.6	F731 L757 F759 F784 L793	F731-V791 HydrophobicContact CB-CB 4.17Å; F731-V791 PolarHBondContact N-O 2.97Å; F731-V791 PolarHBondContact O-N 3.34Å; L757-V791 WeakPolarHBondContact O-CA 3.35Å; F759-V791 HydrophobicContact CB-CG1 4.12Å; F784-V791 HydrophobicContact CB-CG2 3.66Å; F784-V791 HydrophobicContact CD2-CG2 4.45Å; F784-V791 HydrophobicContact CG-CG2 4.45Å; V791-L793 HydrophobicContact CG1-CD2 4.48Å
792	F	97.9	Very high	93.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.5	176.1	178.1	-111.8	0	0	0	109.6	L676 Q729 L730 T756 L757 H758 F759 C794 F825 L826 A829 I836	L676-F792 HydrophobicContact CD1-CE2 4.23Å; Q729-F792 WeakPolarHBondContact O-CA 3.18Å; L730-F792 HydrophobicContact CB-CD2 4.47Å; L730-F792 HydrophobicContact CD1-CB 4.11Å; L730-F792 HydrophobicContact CD1-CD2 4.43Å; T756-F792 HydrophobicContact CG2-CB 3.78Å; L757-F792 PolarHBondContact O-N 3.33Å; H758-F792 CarbonylContact C-O 3.59Å; H758-F792 VanDerWaalsContact CA-O 3.31Å; H758-F792 WeakPolarHBondContact CA-O 3.49Å; H758-F792 AromaticContact CD2-CD1 3.62Å; H758-F792 PolarHBondContact CD2-O 3.18Å; H758-F792 AromaticContact CE1-CE1 3.98Å; H758-F792 AromaticContact NE2-CD1 3.66Å; H758-F792 AromaticContact NE2-CE1 3.69Å; F759-F792 PolarHBondContact N-O 3.17Å; F792-C794 HydrophobicContact CE1-CB 4.27Å; F792-C794 HydrophobicContact CZ-CB 3.91Å; F792-F825 HydrophobicContact CZ-CB 4.47Å; F792-F825 HydrophobicContact CZ-CD2 4.11Å; F792-F825 HydrophobicContact CZ-CG 4.11Å; F792-L826 HydrophobicContact CD1-CB 4.42Å; F792-L826 HydrophobicContact CD1-CD1 3.7Å; F792-L826 HydrophobicContact CE1-CB 4Å; F792-L826 HydrophobicContact CE1-CD1 4.1Å; F792-L826 HydrophobicContact CG-CD1 4.38Å; F792-A829 HydrophobicContact CE2-CB 3.97Å; F792-A829 HydrophobicContact CZ-CB 4.21Å; F792-I836 HydrophobicContact CB-CD1 4.43Å; F792-I836 HydrophobicContact CD2-CD1 4.36Å; F792-I836 HydrophobicContact CG-CD1 4.32Å
793	L	97.7	Very high	93.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.4	168.7	55.2	151.2	0	0	0	109.4	G728 Q729 F731 F759 L768 V769 V777 V791	G728-L793 CarbonylContact C-O 3.57Å; G728-L793 WeakPolarHBondContact CA-O 3.45Å; Q729-L793 HydrophobicContact CB-CD2 3.95Å; Q729-L793 HydrophobicContact CB-CG 4.02Å; Q729-L793 PolarHBondContact N-O 3.41Å; Q729-L793 PolarHBondContact O-N 3.21Å; F731-L793 HydrophobicContact CD2-CD2 4.03Å; F731-L793 HydrophobicContact CE2-CD2 3.81Å; F759-L793 VanDerWaalsContact O-CB 3.26Å; F759-L793 WeakPolarHBondContact O-CB 3.48Å; L768-L793 HydrophobicContact CD2-CB 4.06Å; L768-L793 HydrophobicContact CD2-CD1 3.9Å; L768-L793 HydrophobicContact CG-CD1 3.73Å; V769-L793 HydrophobicContact CG2-CD1 3.98Å; V769-L793 HydrophobicContact CG2-CG 4.3Å; V777-L793 HydrophobicContact CG1-CD1 4.08Å; V777-L793 HydrophobicContact CG1-CD2 4.1Å; V777-L793 HydrophobicContact CG2-CD1 4.23Å; V791-L793 HydrophobicContact CG1-CD2 4.48Å
794	C	97.3	Very high	93.9	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.007	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	160.1	170.9	60.6	0	0	0	0	111.2	Y727 F792 H822 F825	Y727-C794 WeakPolarHBondContact O-CA 3.38Å; Y727-C794 WeakPolarHBondContact O-CB 3.38Å; F792-C794 HydrophobicContact CE1-CB 4.27Å; F792-C794 HydrophobicContact CZ-CB 3.91Å; C794-H822 PolarHBondContact O-CE1 3.1Å; C794-H822 PolarHBondContact SG-ND1 3.07Å; C794-F825 HydrophobicContact CB-CD1 3.38Å; C794-F825 HydrophobicContact CB-CE1 3.72Å; C794-F825 HydrophobicContact CB-CG 4.15Å
795	D	96.6	Very high	93.9	Very high	8 Å²	8	12 Å²	12	4%	0.043	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-100.5	131.9	170	-79.4	-32.4	0	0	0	109.3	Y727 Q767 L768 V769 S799	Y727-D795 PolarHBondContact O-N 3.47Å; Q767-D795 VanDerWaalsContact CG-OD2 3.23Å; Q767-D795 WeakPolarHBondContact CG-OD2 3.37Å; L768-D795 WeakPolarHBondContact CB-OD1 3.41Å; L768-D795 PolarHBondContact N-OD1 2.93Å; L768-D795 PolarHBondContact N-OD2 2.97Å; V769-D795 WeakPolarHBondContact CB-OD2 3.5Å; V769-D795 HydrophobicContact CG2-CB 4.49Å; V769-D795 PolarHBondContact N-OD2 2.94Å; D795-S799 WeakPolarHBondContact CB-OG 3.3Å
796	C	94.7	Very high	93.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	P	Polyproline II helix	trans	-97.6	170.4	177.1	63.4	0	0	0	0	112	G798 S799 F806 D821	C796-G798 PolarHBondContact O-N 2.8Å; C796-S799 WeakPolarHBondContact O-CB 3.21Å; C796-S799 PolarHBondContact O-N 2.89Å; C796-S799 VanDerWaalsContact O-N 3.14Å; C796-S799 PolarHBondContact O-OG 3.47Å; C796-F806 WeakPolarHBondContact O-CE1 3.44Å; C796-D821 HydrophobicContact CB-CB 3.57Å
797	R	94	Very high	94.1	Very high	39 Å²	39	11 Å²	11	15%	0.147	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.6	165.9	-67.4	173	-68.1	167.4	3.2	109.2	L726 F806 H809 D821	L726-R797 HydrophobicContact CD2-CG 4.34Å; R797-F806 HydrophobicContact CB-CE2 4.43Å; R797-F806 HydrophobicContact CB-CZ 4.34Å; R797-F806 HydrophobicContact CG-CD2 4.15Å; R797-F806 HydrophobicContact CG-CE2 3.68Å; R797-F806 HydrophobicContact CG-CZ 3.94Å; R797-H809 HydrophobicContact CB-CB 3.8Å; R797-H809 PolarHBondContact NH1-CE1 2.99Å; R797-H809 VanDerWaalsContact NH1-CE1 3.33Å; R797-H809 PolarHBondContact NH1-NE2 3.45Å; R797-D821 VanDerWaalsContact CB-OD2 3.31Å; R797-D821 WeakPolarHBondContact CB-OD2 3.22Å; R797-D821 WeakPolarHBondContact CG-OD2 3.18Å; R797-D821 IonicContact CZ-OD1 3.54Å; R797-D821 IonicContact CZ-OD2 2.95Å; R797-D821 PolarHBondContact N-OD2 3.12Å; R797-D821 IonicContact NE-OD1 3.95Å; R797-D821 PolarHBondContact NE-OD1 3.39Å; R797-D821 IonicContact NE-OD2 3.86Å; R797-D821 PolarHBondContact NE-OD2 3.2Å; R797-D821 IonicContact NH2-OD1 3.37Å; R797-D821 PolarHBondContact NH2-OD1 2.74Å; R797-D821 IonicContact NH2-OD2 3.83Å
798	G	93.1	Very high	94.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.6	-26.4	-169.4	0	0	0	0	0	114.6	C796 F806 D807	C796-G798 PolarHBondContact O-N 2.8Å; G798-F806 PolarHBondContact N-O 2.9Å; G798-D807 WeakPolarHBondContact CA-O 3.47Å
799	S	94.7	Very high	94.5	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.014	6%	0.061	C	C	.	.			trans	-70.1	156.5	172.1	60.1	0	0	0	0	112	I766 D795 C796 F806	I766-S799 WeakPolarHBondContact O-CA 3.25Å; I766-S799 VanDerWaalsContact O-CB 3.3Å; I766-S799 WeakPolarHBondContact O-CB 3.47Å; D795-S799 WeakPolarHBondContact CB-OG 3.3Å; C796-S799 WeakPolarHBondContact O-CB 3.21Å; C796-S799 PolarHBondContact O-N 2.89Å; C796-S799 VanDerWaalsContact O-N 3.14Å; C796-S799 PolarHBondContact O-OG 3.47Å; S799-F806 WeakPolarHBondContact O-CD1 3.43Å; S799-F806 WeakPolarHBondContact OG-CE1 3.23Å
800	S	92.7	Very high	94.6	Very high	13 Å²	13	12.1 Å²	12.1	9%	0.091	6%	0.061	C	C	.	.	S	Bend	trans	-83.7	175.9	-170.1	-69.3	0	0	0	0	115.5	G765 I766 R802	G765-S800 WeakPolarHBondContact CA-OG 3.49Å; G765-S800 PolarHBondContact N-OG 3.35Å; G765-S800 VanDerWaalsContact N-OG 3.09Å; I766-S800 PolarHBondContact N-OG 2.73Å; I766-S800 PolarHBondContact O-N 3.36Å; I766-S800 VanDerWaalsContact O-N 3.08Å; S800-R802 VanDerWaalsContact C-N 3.32Å
801	N	92.2	Very high	94.7	Very high	31 Å²	31	12.9 Å²	12.9	17%	0.166	6%	0.064	C	C	.	.	S	Bend	trans	68.4	24.4	178.4	-56.3	-40.3	0	0	0	114.3	E493 F513 Q767	E493-N801 WeakPolarHBondContact OE2-CA 3.38Å; F513-N801 HydrophobicContact CD2-CB 3.93Å; F513-N801 HydrophobicContact CE2-CB 3.67Å; F513-N801 HydrophobicContact CZ-CB 4.32Å; Q767-N801 PolarHBondContact OE1-ND2 2.83Å
802	R	92.9	Very high	94.6	Very high	13 Å²	13	16 Å²	16	5%	0.049	8%	0.081	C	C	.	.	S	Bend	trans	-130	11.9	-176.4	-61.6	-62.7	-61.1	-74	0.9	113.7	F444 S722 Q723 I725 S800 F806	F444-R802 WeakPolarHBondContact CE1-O 3.09Å; S722-R802 PolarHBondContact O-NH2 2.96Å; Q723-R802 PolarHBondContact NE2-O 3.02Å; Q723-R802 PolarHBondContact OE1-O 3.16Å; I725-R802 PolarHBondContact O-NH1 2.93Å; I725-R802 PolarHBondContact O-NH2 3.03Å; S800-R802 VanDerWaalsContact C-N 3.32Å; R802-F806 HydrophobicContact CB-CB 3.65Å; R802-F806 HydrophobicContact CB-CD1 3.41Å; R802-F806 VanDerWaalsContact CB-CD1 3.41Å; R802-F806 HydrophobicContact CB-CD2 4.16Å; R802-F806 HydrophobicContact CB-CE1 4Å; R802-F806 HydrophobicContact CB-CG 3.48Å; R802-F806 VanDerWaalsContact CB-CG 3.48Å; R802-F806 HydrophobicContact CG-CD1 3.91Å; R802-F806 HydrophobicContact CG-CE1 3.98Å; R802-F806 HydrophobicContact CG-CG 4.31Å; R802-F806 HydrophobicContact CG-CZ 4.48Å; R802-F806 WeakPolarHBondContact O-CB 3.21Å
803	G	93.3	Very high	94.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	10%	0.096	C	C	.	.			trans	92.9	151.2	-177.9	0	0	0	0	0	112.5	G443 E493 N805 F806 D807	G443-G803 CarbonylContact O-C 3.55Å; G443-G803 VanDerWaalsContact O-CA 3.23Å; G443-G803 WeakPolarHBondContact O-CA 3.37Å; E493-G803 WeakPolarHBondContact OE1-CA 3.33Å; E493-G803 PolarHBondContact OE1-N 2.87Å; E493-G803 VanDerWaalsContact OE1-N 3.07Å; G803-N805 PolarHBondContact O-N 2.85Å; G803-N805 VanDerWaalsContact O-N 3.15Å; G803-F806 WeakPolarHBondContact O-CB 3.5Å; G803-F806 PolarHBondContact O-N 2.61Å; G803-D807 PolarHBondContact O-N 2.87Å
804	I	94.5	Very high	94.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-26.9	-177.9	-166.5	58.3	0	0	0	112.8	E397 F400 W401 K403 G443 F806 G808	E397-I804 HydrophobicContact CG-CG1 4.33Å; F400-I804 HydrophobicContact CB-CD1 4.24Å; F400-I804 HydrophobicContact CB-CG1 4.13Å; F400-I804 HydrophobicContact CD2-CG1 3.82Å; F400-I804 HydrophobicContact CD2-CG2 4.46Å; F400-I804 HydrophobicContact CG-CG1 4.37Å; W401-I804 HydrophobicContact CZ2-CD1 4.46Å; K403-I804 HydrophobicContact CD-CD1 4.03Å; K403-I804 HydrophobicContact CG-CD1 4.1Å; G443-I804 PolarHBondContact O-N 3.01Å; I804-F806 VanDerWaalsContact C-N 3.35Å; I804-G808 VanDerWaalsContact O-CA 3.29Å; I804-G808 WeakPolarHBondContact O-CA 3.45Å; I804-G808 PolarHBondContact O-N 3.3Å
805	N	93.2	Very high	94.1	Very high	88 Å²	88	20.4 Å²	20.4	47%	0.471	10%	0.098	S	C	.	.	H	α-helix	trans	-69.4	-33.6	176.3	-75	-48.9	0	0	0	112.4	F400 G803	F400-N805 WeakPolarHBondContact CE2-OD1 3.22Å; G803-N805 PolarHBondContact O-N 2.85Å; G803-N805 VanDerWaalsContact O-N 3.15Å
806	F	93.8	Very high	94	Very high	7 Å²	7	23 Å²	23	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-77.3	-49.5	175.8	-167	-88.5	0	0	0	110.5	L726 C796 R797 G798 S799 R802 G803 I804 G808 H809	L726-F806 HydrophobicContact CD2-CE2 4.04Å; L726-F806 HydrophobicContact CD2-CZ 3.68Å; C796-F806 WeakPolarHBondContact O-CE1 3.44Å; R797-F806 HydrophobicContact CB-CE2 4.43Å; R797-F806 HydrophobicContact CB-CZ 4.34Å; R797-F806 HydrophobicContact CG-CD2 4.15Å; R797-F806 HydrophobicContact CG-CE2 3.68Å; R797-F806 HydrophobicContact CG-CZ 3.94Å; G798-F806 PolarHBondContact N-O 2.9Å; S799-F806 WeakPolarHBondContact O-CD1 3.43Å; S799-F806 WeakPolarHBondContact OG-CE1 3.23Å; R802-F806 HydrophobicContact CB-CB 3.65Å; R802-F806 HydrophobicContact CB-CD1 3.41Å; R802-F806 VanDerWaalsContact CB-CD1 3.41Å; R802-F806 HydrophobicContact CB-CD2 4.16Å; R802-F806 HydrophobicContact CB-CE1 4Å; R802-F806 HydrophobicContact CB-CG 3.48Å; R802-F806 VanDerWaalsContact CB-CG 3.48Å; R802-F806 HydrophobicContact CG-CD1 3.91Å; R802-F806 HydrophobicContact CG-CE1 3.98Å; R802-F806 HydrophobicContact CG-CG 4.31Å; R802-F806 HydrophobicContact CG-CZ 4.48Å; R802-F806 WeakPolarHBondContact O-CB 3.21Å; G803-F806 WeakPolarHBondContact O-CB 3.5Å; G803-F806 PolarHBondContact O-N 2.61Å; I804-F806 VanDerWaalsContact C-N 3.35Å; F806-G808 VanDerWaalsContact C-N 3.3Å; F806-G808 PolarHBondContact O-N 3.1Å; F806-H809 WeakPolarHBondContact O-CB 3.35Å; F806-H809 PolarHBondContact O-N 3.19Å
807	D	93.2	Very high	93.9	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-45.2	175.7	-62.3	12	0	0	0	110.3	W401 K403 G798 G803 H809	W401-D807 WeakPolarHBondContact CH2-O 3.43Å; W401-D807 HydrophobicContact CZ2-CB 4.1Å; K403-D807 IonicContact NZ-OD2 2.61Å; K403-D807 PolarHBondContact NZ-OD2 3.4Å; G798-D807 WeakPolarHBondContact CA-O 3.47Å; G803-D807 PolarHBondContact O-N 2.87Å; D807-H809 PolarHBondContact O-N 2.61Å; D807-H809 VanDerWaalsContact O-N 3.14Å
808	G	94.7	Very high	94	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-69.1	-6.9	-175.8	0	0	0	0	0	115.7	F400 I804 F806 I810 K811	F400-G808 WeakPolarHBondContact CD1-O 3.37Å; F400-G808 VanDerWaalsContact CE1-C 3.46Å; F400-G808 WeakPolarHBondContact CE1-O 3.37Å; I804-G808 VanDerWaalsContact O-CA 3.29Å; I804-G808 WeakPolarHBondContact O-CA 3.45Å; I804-G808 PolarHBondContact O-N 3.3Å; F806-G808 VanDerWaalsContact C-N 3.3Å; F806-G808 PolarHBondContact O-N 3.1Å; G808-I810 PolarHBondContact O-N 2.92Å; G808-K811 WeakPolarHBondContact O-CB 3.37Å; G808-K811 PolarHBondContact O-N 2.79Å
809	H	93.3	Very high	94.1	Very high	44 Å²	44	22.1 Å²	22.1	20%	0.204	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-57.6	-23.9	179.9	-171.8	64.8	0	0	0	113.2	R797 F806 D807 R813	R797-H809 HydrophobicContact CB-CB 3.8Å; R797-H809 PolarHBondContact NH1-CE1 2.99Å; R797-H809 VanDerWaalsContact NH1-CE1 3.33Å; R797-H809 PolarHBondContact NH1-NE2 3.45Å; F806-H809 WeakPolarHBondContact O-CB 3.35Å; F806-H809 PolarHBondContact O-N 3.19Å; D807-H809 PolarHBondContact O-N 2.61Å; D807-H809 VanDerWaalsContact O-N 3.14Å; H809-R813 PolarHBondContact O-NE 2.85Å; H809-R813 PolarHBondContact O-NH2 3.05Å
810	I	95	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-90.1	-5.7	-179	69	-175.7	0	0	0	114.2	W401 P764 G808 N812 R813 L814 V817 E818 Y887	W401-I810 HydrophobicContact CH2-CD1 4.28Å; W401-I810 HydrophobicContact CH2-CG1 3.99Å; P764-I810 HydrophobicContact CB-CD1 3.56Å; P764-I810 HydrophobicContact CG-CD1 3.62Å; G808-I810 PolarHBondContact O-N 2.92Å; I810-N812 PolarHBondContact O-N 3.26Å; I810-R813 CarbonylContact O-C 3.5Å; I810-R813 WeakPolarHBondContact O-CA 3.11Å; I810-R813 PolarHBondContact O-N 3.35Å; I810-L814 HydrophobicContact CB-CD2 3.95Å; I810-L814 HydrophobicContact CD1-CD2 3.67Å; I810-L814 HydrophobicContact CG1-CD2 3.96Å; I810-L814 PolarHBondContact O-N 2.99Å; I810-V817 HydrophobicContact CG2-CG2 3.95Å; I810-E818 HydrophobicContact CG2-CG 4.18Å; I810-Y887 HydrophobicContact CD1-CD1 4.24Å
811	K	96.5	Very high	94.1	Very high	16 Å²	16	23.5 Å²	23.5	7%	0.07	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	126.7	-178	-176.7	75.1	-176	-163.2	0	110.2	F400 W401 G808 R813 R886 Y887	F400-K811 HydrophobicContact CD1-CB 4Å; F400-K811 PolarHBondContact O-NZ 2.48Å; W401-K811 HydrophobicContact CE3-CD 3.95Å; W401-K811 HydrophobicContact CZ3-CB 4.12Å; W401-K811 HydrophobicContact CZ3-CD 4.03Å; G808-K811 WeakPolarHBondContact O-CB 3.37Å; G808-K811 PolarHBondContact O-N 2.79Å; K811-R813 PolarHBondContact O-N 3.05Å; K811-R813 PolarHBondContact O-NH1 3.28Å; K811-R886 PolarHBondContact NZ-O 3.04Å; K811-Y887 CarbonylContact C-O 3.54Å; K811-Y887 WeakPolarHBondContact CA-O 3.4Å
812	N	96.5	Very high	94.3	Very high	67 Å²	67	22 Å²	22	36%	0.358	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	15.9	-177.3	-57.4	-14.7	0	0	0	114.2	I810 Y887 I888 N894 A897	I810-N812 PolarHBondContact O-N 3.26Å; N812-Y887 PolarHBondContact N-O 3.27Å; N812-I888 PolarHBondContact OD1-O 3.48Å; N812-N894 VanDerWaalsContact CB-ND2 3.34Å; N812-N894 WeakPolarHBondContact CB-ND2 3.19Å; N812-N894 PolarHBondContact OD1-ND2 3.01Å; N812-A897 VanDerWaalsContact O-CB 3.26Å; N812-A897 WeakPolarHBondContact O-CB 3.12Å
813	R	95.6	Very high	94.4	Very high	88 Å²	88	21.7 Å²	21.7	33%	0.332	11%	0.11	S	C	.	.			trans	-141.4	24	-171.9	-68.3	-172.2	-63.6	-80.7	-3.8	113.9	H809 I810 K811 G815 Q816 V817	H809-R813 PolarHBondContact O-NE 2.85Å; H809-R813 PolarHBondContact O-NH2 3.05Å; I810-R813 CarbonylContact O-C 3.5Å; I810-R813 WeakPolarHBondContact O-CA 3.11Å; I810-R813 PolarHBondContact O-N 3.35Å; K811-R813 PolarHBondContact O-N 3.05Å; K811-R813 PolarHBondContact O-NH1 3.28Å; R813-G815 PolarHBondContact O-N 3.22Å; R813-Q816 HydrophobicContact CB-CB 4.31Å; R813-Q816 WeakPolarHBondContact O-CB 3.42Å; R813-Q816 PolarHBondContact O-N 3.43Å; R813-V817 HydrophobicContact CB-CG1 4.19Å
814	L	93.9	Very high	94.4	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	130.7	175.7	-71.4	-174.1	0	0	0	110.9	I810 Q816 F848 Y851 W876 Y883 Y887 I888	I810-L814 HydrophobicContact CB-CD2 3.95Å; I810-L814 HydrophobicContact CD1-CD2 3.67Å; I810-L814 HydrophobicContact CG1-CD2 3.96Å; I810-L814 PolarHBondContact O-N 2.99Å; L814-Q816 VanDerWaalsContact C-N 3.29Å; L814-Q816 PolarHBondContact O-N 3.03Å; L814-F848 HydrophobicContact CD1-CE2 4.4Å; L814-F848 HydrophobicContact CD2-CE2 4Å; L814-F848 HydrophobicContact CD2-CZ 3.9Å; L814-Y851 PolarHBondContact O-OH 2.83Å; L814-W876 HydrophobicContact CD1-CD2 4.35Å; L814-W876 HydrophobicContact CD1-CH2 4.26Å; L814-W876 HydrophobicContact CD1-CZ2 3.99Å; L814-Y883 HydrophobicContact CD1-CE1 4.45Å; L814-Y887 HydrophobicContact CD1-CD2 4.37Å; L814-Y887 HydrophobicContact CD1-CG 4.33Å; L814-I888 HydrophobicContact CB-CD1 4.36Å; L814-I888 HydrophobicContact CB-CG1 4.38Å; L814-I888 HydrophobicContact CD1-CD1 3.94Å; L814-I888 HydrophobicContact CD1-CG1 3.72Å; L814-I888 HydrophobicContact CG-CD1 4.47Å; L814-I888 HydrophobicContact CG-CG1 4.09Å
815	G	92	Very high	94.4	Very high	3 Å²	3	22.8 Å²	22.8	3%	0.031	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-5.6	-176.6	0	0	0	0	0	115.8	R813 E818 Y851 M855	R813-G815 PolarHBondContact O-N 3.22Å; G815-E818 VanDerWaalsContact C-OE2 3.24Å; G815-E818 VanDerWaalsContact CA-OE2 3.26Å; G815-E818 WeakPolarHBondContact CA-OE2 3.29Å; G815-E818 VanDerWaalsContact N-CD 3.32Å; G815-E818 PolarHBondContact N-OE1 3.4Å; G815-E818 PolarHBondContact N-OE2 2.91Å; G815-Y851 WeakPolarHBondContact CA-OH 3.47Å; G815-M855 WeakPolarHBondContact O-CE 3.35Å
816	Q	93.7	Very high	94.6	Very high	63 Å²	63	18.6 Å²	18.6	29%	0.294	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-21.9	-172.4	-61.4	169.4	55.2	0	0	113.3	R813 L814 E818 K900	R813-Q816 HydrophobicContact CB-CB 4.31Å; R813-Q816 WeakPolarHBondContact O-CB 3.42Å; R813-Q816 PolarHBondContact O-N 3.43Å; L814-Q816 VanDerWaalsContact C-N 3.29Å; L814-Q816 PolarHBondContact O-N 3.03Å; Q816-E818 PolarHBondContact N-OE2 2.94Å; Q816-E818 VanDerWaalsContact N-OE2 3.1Å; Q816-K900 HydrophobicContact CG-CB 4.19Å
817	V	93.4	Very high	94.6	Very high	18 Å²	18	23.9 Å²	23.9	11%	0.109	12%	0.116	C	C	.	.	S	Bend	trans	-123.6	-19.8	-168.9	-63.6	0	0	0	0	113.8	I810 R813 S820	I810-V817 HydrophobicContact CG2-CG2 3.95Å; R813-V817 HydrophobicContact CB-CG1 4.19Å; V817-S820 PolarHBondContact O-OG 3.49Å
818	E	95.9	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.8	-46.5	-172.8	-56.6	91.4	141.3	0	0	110.7	I810 G815 Q816 S820 D821 H822 F848 L852	I810-E818 HydrophobicContact CG2-CG 4.18Å; G815-E818 VanDerWaalsContact C-OE2 3.24Å; G815-E818 VanDerWaalsContact CA-OE2 3.26Å; G815-E818 WeakPolarHBondContact CA-OE2 3.29Å; G815-E818 VanDerWaalsContact N-CD 3.32Å; G815-E818 PolarHBondContact N-OE1 3.4Å; G815-E818 PolarHBondContact N-OE2 2.91Å; Q816-E818 PolarHBondContact N-OE2 2.94Å; Q816-E818 VanDerWaalsContact N-OE2 3.1Å; E818-S820 VanDerWaalsContact C-N 3.35Å; E818-S820 PolarHBondContact O-N 3.01Å; E818-D821 WeakPolarHBondContact O-CB 3.46Å; E818-D821 PolarHBondContact O-N 3.47Å; E818-H822 PolarHBondContact O-CD2 3.4Å; E818-H822 VanDerWaalsContact O-CD2 3.28Å; E818-H822 PolarHBondContact O-N 3.2Å; E818-H822 VanDerWaalsContact O-N 3.13Å; E818-F848 WeakPolarHBondContact OE1-CZ 3.43Å; E818-L852 HydrophobicContact CB-CD1 4Å; E818-L852 HydrophobicContact CB-CD2 3.95Å; E818-L852 HydrophobicContact CG-CD2 4.43Å
819	L	95.3	Very high	94.3	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-30	-176	-80.5	174.2	0	0	0	113.8	D821 H822 V823 I843 L852 M855 A856 Y860	L819-D821 VanDerWaalsContact C-N 3.34Å; L819-H822 PolarHBondContact O-N 2.88Å; L819-V823 WeakPolarHBondContact O-CB 3.35Å; L819-V823 VanDerWaalsContact O-CG2 3.28Å; L819-V823 WeakPolarHBondContact O-CG2 3.33Å; L819-V823 PolarHBondContact O-N 2.83Å; L819-I843 HydrophobicContact CD2-CD1 4.01Å; L819-L852 HydrophobicContact CD2-CB 4.34Å; L819-L852 HydrophobicContact CG-CD2 4.33Å; L819-M855 HydrophobicContact CD1-CB 3.44Å; L819-M855 VanDerWaalsContact CD1-CB 3.44Å; L819-A856 HydrophobicContact CD1-CB 4.01Å; L819-A856 HydrophobicContact CD2-CB 4.09Å; L819-Y860 HydrophobicContact CB-CD2 4Å; L819-Y860 HydrophobicContact CB-CE2 3.47Å; L819-Y860 VanDerWaalsContact CB-CE2 3.47Å; L819-Y860 HydrophobicContact CD1-CD2 3.75Å; L819-Y860 HydrophobicContact CD1-CE2 3.83Å; L819-Y860 HydrophobicContact CG-CD2 4.45Å; L819-Y860 HydrophobicContact CG-CE2 4.3Å
820	S	93.8	Very high	94.3	Very high	43 Å²	43	24.1 Å²	24.1	30%	0.301	12%	0.117	S	C	.	.	H	α-helix	trans	-65.2	-41.1	177.3	58.7	0	0	0	0	111	V817 E818 A824	V817-S820 PolarHBondContact O-OG 3.49Å; E818-S820 VanDerWaalsContact C-N 3.35Å; E818-S820 PolarHBondContact O-N 3.01Å; S820-A824 WeakPolarHBondContact O-CB 3.4Å; S820-A824 PolarHBondContact O-N 3.01Å
821	D	94.4	Very high	93.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-47.4	172.2	-73	14.4	0	0	0	111.6	I680 L726 C796 R797 E818 L819 V823 A824 F825	I680-D821 HydrophobicContact CD1-CB 3.74Å; I680-D821 WeakPolarHBondContact CD1-OD1 3.16Å; L726-D821 HydrophobicContact CD1-CB 3.86Å; C796-D821 HydrophobicContact CB-CB 3.57Å; R797-D821 VanDerWaalsContact CB-OD2 3.31Å; R797-D821 WeakPolarHBondContact CB-OD2 3.22Å; R797-D821 WeakPolarHBondContact CG-OD2 3.18Å; R797-D821 IonicContact CZ-OD1 3.54Å; R797-D821 IonicContact CZ-OD2 2.95Å; R797-D821 PolarHBondContact N-OD2 3.12Å; R797-D821 IonicContact NE-OD1 3.95Å; R797-D821 PolarHBondContact NE-OD1 3.39Å; R797-D821 IonicContact NE-OD2 3.86Å; R797-D821 PolarHBondContact NE-OD2 3.2Å; R797-D821 IonicContact NH2-OD1 3.37Å; R797-D821 PolarHBondContact NH2-OD1 2.74Å; R797-D821 IonicContact NH2-OD2 3.83Å; E818-D821 WeakPolarHBondContact O-CB 3.46Å; E818-D821 PolarHBondContact O-N 3.47Å; L819-D821 VanDerWaalsContact C-N 3.34Å; D821-V823 PolarHBondContact O-N 3.32Å; D821-A824 PolarHBondContact O-N 3.42Å; D821-F825 WeakPolarHBondContact O-CB 3.28Å; D821-F825 PolarHBondContact O-N 3Å
822	H	95.6	Very high	93.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-46.9	177.9	-90.5	-82.1	0	0	0	112.4	H758 C794 E818 L819 L826	H758-H822 AromaticContact CE1-CG 3.92Å; H758-H822 AromaticContact CE1-ND1 3.33Å; H758-H822 PolarHBondContact CE1-ND1 2.66Å; H758-H822 VanDerWaalsContact CE1-ND1 3.33Å; H758-H822 AromaticContact NE2-CE1 3.93Å; H758-H822 AromaticContact NE2-ND1 3.07Å; H758-H822 PolarHBondContact NE2-ND1 3.08Å; C794-H822 PolarHBondContact O-CE1 3.1Å; C794-H822 PolarHBondContact SG-ND1 3.07Å; E818-H822 PolarHBondContact O-CD2 3.4Å; E818-H822 VanDerWaalsContact O-CD2 3.28Å; E818-H822 PolarHBondContact O-N 3.2Å; E818-H822 VanDerWaalsContact O-N 3.13Å; L819-H822 PolarHBondContact O-N 2.88Å; H822-L826 VanDerWaalsContact O-CB 3.31Å; H822-L826 WeakPolarHBondContact O-CB 3.41Å; H822-L826 PolarHBondContact O-N 3.11Å
823	V	95.4	Very high	92.8	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-41.9	-179.6	169	0	0	0	0	111.3	L819 D821 F825 L826 R827 Y860 V863 Y864	L819-V823 WeakPolarHBondContact O-CB 3.35Å; L819-V823 VanDerWaalsContact O-CG2 3.28Å; L819-V823 WeakPolarHBondContact O-CG2 3.33Å; L819-V823 PolarHBondContact O-N 2.83Å; D821-V823 PolarHBondContact O-N 3.32Å; V823-F825 VanDerWaalsContact C-N 3.34Å; V823-F825 PolarHBondContact O-N 3.41Å; V823-L826 PolarHBondContact O-N 3.07Å; V823-R827 HydrophobicContact CG1-CG 4.47Å; V823-R827 WeakPolarHBondContact O-CB 3.21Å; V823-R827 WeakPolarHBondContact O-CG 3.16Å; V823-R827 PolarHBondContact O-N 3.01Å; V823-Y860 HydrophobicContact CB-CD1 4.4Å; V823-Y860 HydrophobicContact CB-CE1 4.36Å; V823-Y860 HydrophobicContact CG1-CD1 4.42Å; V823-Y860 HydrophobicContact CG2-CD1 3.67Å; V823-Y860 HydrophobicContact CG2-CE1 3.97Å; V823-Y860 HydrophobicContact CG2-CG 4.14Å; V823-V863 HydrophobicContact CG1-CG1 4.29Å; V823-V863 HydrophobicContact CG1-CG2 3.81Å; V823-V863 HydrophobicContact CG2-CG1 4.24Å; V823-V863 HydrophobicContact CG2-CG2 4.44Å; V823-Y864 HydrophobicContact CG2-CE2 3.78Å
824	A	93.3	Very high	92.4	Very high	23 Å²	23	26.8 Å²	26.8	19%	0.19	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-46.4	176	0	0	0	0	0	111	L684 S820 D821 Y828	L684-A824 HydrophobicContact CD2-CB 4.22Å; S820-A824 WeakPolarHBondContact O-CB 3.4Å; S820-A824 PolarHBondContact O-N 3.01Å; D821-A824 PolarHBondContact O-N 3.42Å; A824-Y828 WeakPolarHBondContact O-CB 3.22Å; A824-Y828 PolarHBondContact O-N 3.39Å
825	F	94.9	Very high	92.2	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-43.4	177.7	-159	166.9	0	0	0	111.7	L676 C678 L726 F792 C794 D821 V823 R827 Y828 A829	L676-F825 HydrophobicContact CB-CE2 4.07Å; L676-F825 HydrophobicContact CB-CZ 4.07Å; C678-F825 HydrophobicContact CB-CD1 4.02Å; C678-F825 HydrophobicContact CB-CD2 3.4Å; C678-F825 HydrophobicContact CB-CE1 4.02Å; C678-F825 HydrophobicContact CB-CE2 3.45Å; C678-F825 VanDerWaalsContact CB-CE2 3.45Å; C678-F825 HydrophobicContact CB-CG 3.73Å; C678-F825 HydrophobicContact CB-CZ 3.77Å; L726-F825 HydrophobicContact CB-CD1 3.7Å; L726-F825 HydrophobicContact CB-CE1 3.74Å; L726-F825 HydrophobicContact CD1-CD1 4.38Å; L726-F825 WeakPolarHBondContact O-CE1 3.48Å; F792-F825 HydrophobicContact CZ-CB 4.47Å; F792-F825 HydrophobicContact CZ-CD2 4.11Å; F792-F825 HydrophobicContact CZ-CG 4.11Å; C794-F825 HydrophobicContact CB-CD1 3.38Å; C794-F825 HydrophobicContact CB-CE1 3.72Å; C794-F825 HydrophobicContact CB-CG 4.15Å; D821-F825 WeakPolarHBondContact O-CB 3.28Å; D821-F825 PolarHBondContact O-N 3Å; V823-F825 VanDerWaalsContact C-N 3.34Å; V823-F825 PolarHBondContact O-N 3.41Å; F825-R827 VanDerWaalsContact C-N 3.35Å; F825-R827 PolarHBondContact O-N 3.5Å; F825-Y828 HydrophobicContact CD2-CD1 4.11Å; F825-Y828 HydrophobicContact CE2-CD1 4.22Å; F825-Y828 PolarHBondContact O-N 3.03Å; F825-A829 HydrophobicContact CD2-CB 4.38Å; F825-A829 VanDerWaalsContact O-CB 3.3Å; F825-A829 WeakPolarHBondContact O-CB 3.4Å; F825-A829 PolarHBondContact O-N 2.91Å
826	L	95.8	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.3	-48.8	175.6	175.1	66.9	0	0	0	111.8	F792 H822 V823 A829 A830 I836 L838 V841 V863 Y864	F792-L826 HydrophobicContact CD1-CB 4.42Å; F792-L826 HydrophobicContact CD1-CD1 3.7Å; F792-L826 HydrophobicContact CE1-CB 4Å; F792-L826 HydrophobicContact CE1-CD1 4.1Å; F792-L826 HydrophobicContact CG-CD1 4.38Å; H822-L826 VanDerWaalsContact O-CB 3.31Å; H822-L826 WeakPolarHBondContact O-CB 3.41Å; H822-L826 PolarHBondContact O-N 3.11Å; V823-L826 PolarHBondContact O-N 3.07Å; L826-A829 PolarHBondContact O-N 3.14Å; L826-A830 WeakPolarHBondContact O-CB 3.3Å; L826-A830 PolarHBondContact O-N 3.09Å; L826-I836 HydrophobicContact CD1-CD1 4.14Å; L826-I836 HydrophobicContact CD1-CG2 4.04Å; L826-L838 HydrophobicContact CD2-CD2 4.43Å; L826-L838 HydrophobicContact CG-CD2 4.06Å; L826-V841 HydrophobicContact CD2-CG1 3.94Å; L826-V841 HydrophobicContact CD2-CG2 4.43Å; L826-V863 HydrophobicContact CD2-CG1 3.85Å; L826-Y864 HydrophobicContact CD2-CE1 3.94Å
827	R	94.1	Very high	92.2	Very high	119 Å²	119	25.8 Å²	25.8	45%	0.449	14%	0.136	S	C	.	.	H	α-helix	trans	-63.2	-42.6	177.9	-73.8	178.1	173.3	170.2	-0.7	111.7	V823 F825 A830 K831 L838 D862 V863	V823-R827 HydrophobicContact CG1-CG 4.47Å; V823-R827 WeakPolarHBondContact O-CB 3.21Å; V823-R827 WeakPolarHBondContact O-CG 3.16Å; V823-R827 PolarHBondContact O-N 3.01Å; F825-R827 VanDerWaalsContact C-N 3.35Å; F825-R827 PolarHBondContact O-N 3.5Å; R827-A830 PolarHBondContact O-N 2.93Å; R827-K831 WeakPolarHBondContact O-CB 3.3Å; R827-K831 PolarHBondContact O-N 3.2Å; R827-L838 HydrophobicContact CG-CD1 4.39Å; R827-D862 IonicContact NH2-OD2 3.33Å; R827-D862 PolarHBondContact NH2-OD2 3.18Å; R827-V863 VanDerWaalsContact NH2-CG2 3.35Å
828	Y	91.2	Very high	92.3	Very high	46 Å²	46	28.4 Å²	28.4	18%	0.18	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-49.4	175.5	172.6	-100.4	0	0	0	111.8	T574 R677 C678 N683 A824 F825 A830 K831 A832	T574-Y828 HydrophobicContact CG2-CD1 4.39Å; T574-Y828 HydrophobicContact CG2-CE1 3.53Å; T574-Y828 PolarHBondContact OG1-OH 3.29Å; R677-Y828 WeakPolarHBondContact O-CE1 3.25Å; C678-Y828 HydrophobicContact CB-CD1 3.76Å; C678-Y828 HydrophobicContact CB-CE1 4.02Å; C678-Y828 HydrophobicContact CB-CG 4.47Å; N683-Y828 HydrophobicContact CB-CD2 4.13Å; N683-Y828 WeakPolarHBondContact OD1-CE2 3.48Å; A824-Y828 WeakPolarHBondContact O-CB 3.22Å; A824-Y828 PolarHBondContact O-N 3.39Å; F825-Y828 HydrophobicContact CD2-CD1 4.11Å; F825-Y828 HydrophobicContact CE2-CD1 4.22Å; F825-Y828 PolarHBondContact O-N 3.03Å; Y828-A830 VanDerWaalsContact C-N 3.34Å; Y828-A830 PolarHBondContact O-N 3.25Å; Y828-K831 PolarHBondContact O-N 3.19Å; Y828-A832 VanDerWaalsContact O-CB 3.25Å; Y828-A832 WeakPolarHBondContact O-CB 3.44Å; Y828-A832 PolarHBondContact O-N 3.11Å
829	A	91.6	Very high	92.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-43.1	178.1	0	0	0	0	0	111.1	L676 F792 F825 L826 A832 T833 I836	L676-A829 HydrophobicContact CD1-CB 3.83Å; F792-A829 HydrophobicContact CE2-CB 3.97Å; F792-A829 HydrophobicContact CZ-CB 4.21Å; F825-A829 HydrophobicContact CD2-CB 4.38Å; F825-A829 VanDerWaalsContact O-CB 3.3Å; F825-A829 WeakPolarHBondContact O-CB 3.4Å; F825-A829 PolarHBondContact O-N 2.91Å; L826-A829 PolarHBondContact O-N 3.14Å; A829-A832 PolarHBondContact O-N 3Å; A829-T833 VanDerWaalsContact O-CB 3.28Å; A829-T833 WeakPolarHBondContact O-CB 3.38Å; A829-T833 VanDerWaalsContact O-CG2 3.29Å; A829-T833 WeakPolarHBondContact O-CG2 3.19Å; A829-T833 PolarHBondContact O-N 2.83Å; A829-T833 PolarHBondContact O-OG1 3.09Å; A829-I836 HydrophobicContact CB-CD1 4.07Å
830	A	91.5	Very high	92.1	Very high	8 Å²	8	34.1 Å²	34.1	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-47	175.6	0	0	0	0	0	112.3	L826 R827 Y828 G834 I836 L838	L826-A830 WeakPolarHBondContact O-CB 3.3Å; L826-A830 PolarHBondContact O-N 3.09Å; R827-A830 PolarHBondContact O-N 2.93Å; Y828-A830 VanDerWaalsContact C-N 3.34Å; Y828-A830 PolarHBondContact O-N 3.25Å; A830-G834 WeakPolarHBondContact O-CA 3.35Å; A830-G834 PolarHBondContact O-N 2.85Å; A830-I836 HydrophobicContact CB-CB 3.73Å; A830-I836 HydrophobicContact CB-CG2 3.92Å; A830-L838 HydrophobicContact CB-CD1 3.9Å; A830-L838 HydrophobicContact CB-CD2 3.64Å; A830-L838 HydrophobicContact CB-CG 3.63Å
831	K	88.6	Confident	92.3	Very high	174 Å²	174	32 Å²	32	76%	0.757	17%	0.168	S	C	*	.	H	α-helix	trans	-64.4	-44.4	177.9	-178.8	-178.1	177.9	-177.2	0	112.4	R827 Y828	R827-K831 WeakPolarHBondContact O-CB 3.3Å; R827-K831 PolarHBondContact O-N 3.2Å; Y828-K831 PolarHBondContact O-N 3.19Å
832	A	84.1	Confident	92.5	Very high	9 Å²	9	32 Å²	32	7%	0.074	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-41.1	-176.2	0	0	0	0	0	112.2	I571 T574 Y828 A829	I571-A832 VanDerWaalsContact CG1-O 3.3Å; I571-A832 WeakPolarHBondContact CG1-O 3.39Å; T574-A832 HydrophobicContact CG2-CB 4.08Å; T574-A832 WeakPolarHBondContact OG1-CB 3.47Å; Y828-A832 VanDerWaalsContact O-CB 3.25Å; Y828-A832 WeakPolarHBondContact O-CB 3.44Å; Y828-A832 PolarHBondContact O-N 3.11Å; A829-A832 PolarHBondContact O-N 3Å
833	T	85.4	Confident	92.7	Very high	7 Å²	7	32 Å²	32	4%	0.043	17%	0.168	C	C	.	.	H	α-helix	trans	-89.2	-33.7	-176.1	68	0	0	0	0	114	I571 L676 L730 A829 L835	I571-T833 WeakPolarHBondContact CD1-O 3.12Å; L676-T833 HydrophobicContact CD1-CG2 4.41Å; L676-T833 HydrophobicContact CD2-CG2 4.49Å; L730-T833 HydrophobicContact CD2-CG2 4.33Å; A829-T833 VanDerWaalsContact O-CB 3.28Å; A829-T833 WeakPolarHBondContact O-CB 3.38Å; A829-T833 VanDerWaalsContact O-CG2 3.29Å; A829-T833 WeakPolarHBondContact O-CG2 3.19Å; A829-T833 PolarHBondContact O-N 2.83Å; A829-T833 PolarHBondContact O-OG1 3.09Å; T833-L835 PolarHBondContact O-N 2.89Å; T833-L835 PolarHBondContact OG1-N 2.91Å
834	G	87.2	Confident	92.8	Very high	36 Å²	36	31.8 Å²	31.8	37%	0.371	17%	0.167	S	C	.	.	S	Bend	trans	66.7	8	-167.2	0	0	0	0	0	113.8	A830	A830-G834 WeakPolarHBondContact O-CA 3.35Å; A830-G834 PolarHBondContact O-N 2.85Å
835	L	89.6	Confident	93	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.047	16%	0.157	C	C	.	.			trans	-98.7	-8.2	-172.9	-64.2	172.9	0	0	0	113.4	L674 L730 L732 Y754 T833	L674-L835 HydrophobicContact CD1-CD1 4.03Å; L730-L835 HydrophobicContact CD2-CB 4.21Å; L730-L835 HydrophobicContact CD2-CD1 4.38Å; L732-L835 HydrophobicContact CD1-CD1 3.63Å; L732-L835 HydrophobicContact CD2-CB 4.15Å; L732-L835 HydrophobicContact CD2-CD1 4.2Å; Y754-L835 WeakPolarHBondContact CD2-O 3.31Å; Y754-L835 HydrophobicContact CE2-CD2 4.29Å; Y754-L835 PolarHBondContact N-O 3.35Å; T833-L835 PolarHBondContact O-N 2.89Å; T833-L835 PolarHBondContact OG1-N 2.91Å
836	I	92.5	Very high	93.1	Very high	10 Å²	10	33 Å²	33	5%	0.051	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.4	179.5	-63.7	172	0	0	0	108.4	L730 T756 F792 L826 A829 A830 L838 V841	L730-I836 HydrophobicContact CD1-CD1 4.09Å; L730-I836 HydrophobicContact CD1-CG1 4.1Å; L730-I836 HydrophobicContact CD2-CD1 4.35Å; L730-I836 HydrophobicContact CD2-CG1 4.31Å; T756-I836 HydrophobicContact CG2-CG1 4.44Å; T756-I836 HydrophobicContact CG2-CG2 4.31Å; F792-I836 HydrophobicContact CB-CD1 4.43Å; F792-I836 HydrophobicContact CD2-CD1 4.36Å; F792-I836 HydrophobicContact CG-CD1 4.32Å; L826-I836 HydrophobicContact CD1-CD1 4.14Å; L826-I836 HydrophobicContact CD1-CG2 4.04Å; A829-I836 HydrophobicContact CB-CD1 4.07Å; A830-I836 HydrophobicContact CB-CB 3.73Å; A830-I836 HydrophobicContact CB-CG2 3.92Å; I836-L838 HydrophobicContact CG2-CD2 4.2Å; I836-L838 PolarHBondContact O-N 3.34Å; I836-V841 HydrophobicContact CG2-CG2 4.37Å
837	D	93.4	Very high	93.2	Very high	30 Å²	30	33.8 Å²	33.8	16%	0.16	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	102.7	169.8	-176.7	-8.5	0	0	0	110.3	G753 Y754 S839 R840 V841	G753-D837 WeakPolarHBondContact O-CB 3.42Å; Y754-D837 PolarHBondContact O-N 3.41Å; D837-S839 VanDerWaalsContact CG-OG 3.31Å; D837-S839 PolarHBondContact O-N 3.1Å; D837-S839 VanDerWaalsContact O-N 3.13Å; D837-S839 WeakPolarHBondContact OD1-CB 3.44Å; D837-S839 PolarHBondContact OD1-N 2.94Å; D837-S839 PolarHBondContact OD1-OG 2.64Å; D837-S839 PolarHBondContact OD2-OG 3.11Å; D837-R840 CarbonylContact O-C 3.59Å; D837-R840 PolarHBondContact O-N 2.9Å; D837-R840 IonicContact OD2-CZ 3.19Å; D837-R840 IonicContact OD2-NE 2.71Å; D837-R840 PolarHBondContact OD2-NE 3.35Å; D837-R840 IonicContact OD2-NH2 2.81Å; D837-R840 PolarHBondContact OD2-NH2 3.4Å; D837-V841 WeakPolarHBondContact O-CG2 3.39Å
838	L	93.9	Very high	93.3	Very high	72 Å²	72	28.2 Å²	28.2	38%	0.377	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-17.3	-179.6	-69	176.7	0	0	0	113.6	L826 R827 A830 I836 R840 V841	L826-L838 HydrophobicContact CD2-CD2 4.43Å; L826-L838 HydrophobicContact CG-CD2 4.06Å; R827-L838 HydrophobicContact CG-CD1 4.39Å; A830-L838 HydrophobicContact CB-CD1 3.9Å; A830-L838 HydrophobicContact CB-CD2 3.64Å; A830-L838 HydrophobicContact CB-CG 3.63Å; I836-L838 HydrophobicContact CG2-CD2 4.2Å; I836-L838 PolarHBondContact O-N 3.34Å; L838-R840 VanDerWaalsContact C-N 3.29Å; L838-V841 HydrophobicContact CD2-CG2 4.49Å
839	S	93.9	Very high	93.6	Very high	81 Å²	81	26 Å²	26	57%	0.566	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	-11.5	175.1	74	0	0	0	0	113.5	D837	D837-S839 VanDerWaalsContact CG-OG 3.31Å; D837-S839 PolarHBondContact O-N 3.1Å; D837-S839 VanDerWaalsContact O-N 3.13Å; D837-S839 WeakPolarHBondContact OD1-CB 3.44Å; D837-S839 PolarHBondContact OD1-N 2.94Å; D837-S839 PolarHBondContact OD1-OG 2.64Å; D837-S839 PolarHBondContact OD2-OG 3.11Å
840	R	95.1	Very high	94	Very high	41 Å²	41	26 Å²	26	16%	0.155	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	56.1	-174.9	-65.6	-175.2	-68	156.4	5.8	111.4	G753 P755 T756 D837 L838 L977	G753-R840 PolarHBondContact O-NH2 3.28Å; G753-R840 VanDerWaalsContact O-NH2 3.12Å; P755-R840 WeakPolarHBondContact CA-O 3.34Å; P755-R840 HydrophobicContact CB-CB 3.93Å; T756-R840 PolarHBondContact N-O 3.48Å; D837-R840 CarbonylContact O-C 3.59Å; D837-R840 PolarHBondContact O-N 2.9Å; D837-R840 IonicContact OD2-CZ 3.19Å; D837-R840 IonicContact OD2-NE 2.71Å; D837-R840 PolarHBondContact OD2-NE 3.35Å; D837-R840 IonicContact OD2-NH2 2.81Å; D837-R840 PolarHBondContact OD2-NH2 3.4Å; L838-R840 VanDerWaalsContact C-N 3.29Å; R840-L977 HydrophobicContact CB-CD2 4.36Å; R840-L977 WeakPolarHBondContact CD-O 3.48Å
841	V	97.7	Very high	94.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.9	176	-170.7	0	0	0	0	110.8	T756 H758 L826 I836 D837 L838 Y864 K865	T756-V841 WeakPolarHBondContact O-CA 3.45Å; H758-V841 HydrophobicContact CB-CG1 4.19Å; L826-V841 HydrophobicContact CD2-CG1 3.94Å; L826-V841 HydrophobicContact CD2-CG2 4.43Å; I836-V841 HydrophobicContact CG2-CG2 4.37Å; D837-V841 WeakPolarHBondContact O-CG2 3.39Å; L838-V841 HydrophobicContact CD2-CG2 4.49Å; V841-Y864 HydrophobicContact CB-CD1 4.41Å; V841-Y864 HydrophobicContact CG1-CD1 3.83Å; V841-Y864 HydrophobicContact CG1-CE1 3.92Å; V841-K865 PolarHBondContact O-N 3.16Å
842	A	98.4	Very high	94.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.6	165.2	0	0	0	0	0	109.9	T756 L757 H758 V866 L973 L977	T756-A842 PolarHBondContact O-N 2.79Å; L757-A842 CarbonylContact C-O 3.57Å; L757-A842 WeakPolarHBondContact CA-O 3.32Å; L757-A842 HydrophobicContact CD1-CB 4.04Å; H758-A842 PolarHBondContact N-O 2.9Å; A842-V866 CarbonylContact C-O 3.54Å; A842-V866 VanDerWaalsContact CA-O 3.24Å; A842-V866 WeakPolarHBondContact CA-O 3.29Å; A842-V866 HydrophobicContact CB-CB 3.93Å; A842-V866 HydrophobicContact CB-CG1 4.28Å; A842-L973 HydrophobicContact CB-CD2 3.49Å; A842-L973 VanDerWaalsContact CB-CD2 3.49Å; A842-L977 HydrophobicContact CB-CD1 3.99Å
843	I	98.6	Very high	95.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.1	168.9	-171.9	170.1	0	0	0	109.9	H758 V760 L819 A856 Y864 V866 A867 I868	H758-I843 WeakPolarHBondContact O-CA 3.38Å; V760-I843 HydrophobicContact CG1-CD1 3.98Å; V760-I843 HydrophobicContact CG1-CG1 3.97Å; V760-I843 HydrophobicContact CG2-CD1 3.91Å; V760-I843 HydrophobicContact CG2-CG1 3.74Å; L819-I843 HydrophobicContact CD2-CD1 4.01Å; I843-A856 HydrophobicContact CD1-CB 3.78Å; I843-A856 HydrophobicContact CG2-CB 3.86Å; I843-Y864 HydrophobicContact CB-CD1 3.61Å; I843-Y864 HydrophobicContact CB-CE1 3.75Å; I843-Y864 HydrophobicContact CB-CG 4.1Å; I843-Y864 HydrophobicContact CD1-CE1 4.2Å; I843-Y864 HydrophobicContact CD1-CE2 4.24Å; I843-Y864 HydrophobicContact CG1-CE1 4.35Å; I843-Y864 HydrophobicContact CG2-CD1 3.95Å; I843-Y864 HydrophobicContact CG2-CD2 4.41Å; I843-Y864 HydrophobicContact CG2-CE1 4.45Å; I843-Y864 HydrophobicContact CG2-CG 3.91Å; I843-V866 PolarHBondContact N-O 2.79Å; I843-A867 HydrophobicContact CG2-CB 3.78Å; I843-I868 PolarHBondContact O-N 2.88Å
844	M	98.4	Very high	96.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.7	177.5	-177.7	-179	81.6	0	0	111.3	L757 H758 F759 V760 F784 Y846 I868 I870 V969	L757-M844 HydrophobicContact CD1-CB 3.71Å; L757-M844 HydrophobicContact CD2-CE 3.89Å; L757-M844 HydrophobicContact CD2-SD 4.49Å; L757-M844 HydrophobicContact CG-CB 4.45Å; H758-M844 PolarHBondContact O-N 2.66Å; F759-M844 WeakPolarHBondContact CA-O 3.31Å; F759-M844 HydrophobicContact CD2-CE 3.63Å; F759-M844 WeakPolarHBondContact CD2-O 2.93Å; F759-M844 HydrophobicContact CE2-CE 3.79Å; V760-M844 PolarHBondContact N-O 3.06Å; F784-M844 HydrophobicContact CE2-CE 3.83Å; F784-M844 HydrophobicContact CZ-CE 4Å; F784-M844 HydrophobicContact CZ-SD 4.34Å; M844-Y846 HydrophobicContact CE-CE2 4.46Å; M844-I868 WeakPolarHBondContact CA-O 3.13Å; M844-I868 HydrophobicContact CB-CB 4Å; M844-I868 HydrophobicContact CB-CG2 4.49Å; M844-I868 HydrophobicContact CG-CB 3.87Å; M844-I868 HydrophobicContact CG-CG2 3.81Å; M844-I868 HydrophobicContact SD-CG2 4.19Å; M844-I870 HydrophobicContact CG-CD1 4.25Å; M844-I870 HydrophobicContact SD-CD1 4.29Å; M844-V969 HydrophobicContact SD-CG1 3.95Å; M844-V969 HydrophobicContact SD-CG2 4.27Å
845	G	97.8	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	164.6	173.5	0	0	0	0	0	113.3	V760 G849 G850 S853 I868 I870	V760-G845 WeakPolarHBondContact O-CA 3.44Å; G845-G849 VanDerWaalsContact C-C 3.49Å; G845-G849 VanDerWaalsContact CA-C 3.48Å; G845-G850 VanDerWaalsContact C-N 3.28Å; G845-G850 VanDerWaalsContact O-CA 3.31Å; G845-G850 WeakPolarHBondContact O-CA 3.42Å; G845-G850 PolarHBondContact O-N 3.05Å; G845-S853 PolarHBondContact N-OG 2.91Å; G845-S853 VanDerWaalsContact N-OG 3.15Å; G845-I868 PolarHBondContact N-O 3.43Å; G845-I870 PolarHBondContact O-N 2.62Å
846	Y	96.6	Very high	97	Very high	50 Å²	50	14.5 Å²	14.5	20%	0.196	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.6	178	-66.7	-109.1	0	0	0	109.5	F759 H780 M844 F848 G849 G850 I870 Q962	F759-Y846 HydrophobicContact CE2-CD2 4.05Å; F759-Y846 HydrophobicContact CE2-CE2 4.01Å; F759-Y846 HydrophobicContact CZ-CD2 4.39Å; H780-Y846 AromaticContact CE1-CE2 3.92Å; M844-Y846 HydrophobicContact CE-CE2 4.46Å; Y846-F848 PolarHBondContact O-N 3.15Å; Y846-G849 WeakPolarHBondContact O-CA 3.31Å; Y846-G849 PolarHBondContact O-N 3.5Å; Y846-G850 PolarHBondContact O-N 2.88Å; Y846-I870 CarbonylContact C-O 3.56Å; Y846-I870 VanDerWaalsContact CA-O 3.28Å; Y846-I870 WeakPolarHBondContact CA-O 3.44Å; Y846-I870 HydrophobicContact CD1-CB 3.77Å; Y846-I870 HydrophobicContact CD1-CD1 4.17Å; Y846-I870 HydrophobicContact CD1-CG2 3.39Å; Y846-I870 HydrophobicContact CD2-CD1 4.15Å; Y846-I870 HydrophobicContact CE1-CB 4.04Å; Y846-I870 HydrophobicContact CE1-CD1 3.65Å; Y846-I870 HydrophobicContact CE1-CG1 4.43Å; Y846-I870 HydrophobicContact CE1-CG2 3.5Å; Y846-I870 HydrophobicContact CE2-CD1 3.63Å; Y846-I870 HydrophobicContact CG-CB 4.06Å; Y846-I870 HydrophobicContact CG-CD1 4.39Å; Y846-I870 HydrophobicContact CG-CG2 4.19Å; Y846-Q962 PolarHBondContact OH-NE2 2.89Å
847	S	96.7	Very high	97.2	Very high	17 Å²	17	14 Å²	14	12%	0.119	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-118.9	176.3	-168.4	0	0	0	0	111.4	G849 G850 Y851 I870 S871 H957	S847-G849 PolarHBondContact O-N 3.02Å; S847-G850 CarbonylContact O-C 3.57Å; S847-G850 VanDerWaalsContact O-CA 3.32Å; S847-G850 WeakPolarHBondContact O-CA 3.37Å; S847-G850 PolarHBondContact O-N 2.98Å; S847-Y851 PolarHBondContact O-N 2.85Å; S847-I870 PolarHBondContact N-O 3.28Å; S847-S871 WeakPolarHBondContact CA-O 3.27Å; S847-H957 VanDerWaalsContact CB-NE2 3.3Å; S847-H957 WeakPolarHBondContact CB-NE2 3.32Å; S847-H957 PolarHBondContact OG-CE1 2.81Å; S847-H957 PolarHBondContact OG-NE2 2.77Å; S847-H957 VanDerWaalsContact OG-NE2 3.08Å
848	F	97.9	Very high	97.3	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-56.1	-36.7	171.8	-158.5	-77.7	0	0	0	112.9	Y761 G763 L814 E818 Y846 G850 Y851 L852 W876 Y883	Y761-F848 HydrophobicContact CE1-CB 4.28Å; Y761-F848 HydrophobicContact CE2-CB 4.04Å; Y761-F848 CarbonylContact O-C 3.59Å; Y761-F848 WeakPolarHBondContact O-CD1 3.41Å; G763-F848 VanDerWaalsContact N-CD1 3.34Å; L814-F848 HydrophobicContact CD1-CE2 4.4Å; L814-F848 HydrophobicContact CD2-CE2 4Å; L814-F848 HydrophobicContact CD2-CZ 3.9Å; E818-F848 WeakPolarHBondContact OE1-CZ 3.43Å; Y846-F848 PolarHBondContact O-N 3.15Å; F848-G850 VanDerWaalsContact C-N 3.25Å; F848-G850 PolarHBondContact O-N 3.14Å; F848-Y851 HydrophobicContact CD1-CD1 4.34Å; F848-Y851 HydrophobicContact CE1-CD1 4.1Å; F848-Y851 HydrophobicContact CE2-CD1 4.31Å; F848-Y851 HydrophobicContact CZ-CD1 4.07Å; F848-Y851 HydrophobicContact CZ-CE1 4.2Å; F848-Y851 WeakPolarHBondContact O-CA 3.35Å; F848-Y851 VanDerWaalsContact O-CB 3.28Å; F848-Y851 WeakPolarHBondContact O-CB 3.49Å; F848-Y851 PolarHBondContact O-N 3.03Å; F848-Y851 VanDerWaalsContact O-N 3.14Å; F848-L852 HydrophobicContact CD1-CD1 4.21Å; F848-L852 HydrophobicContact CD1-CD2 4.42Å; F848-L852 HydrophobicContact CD1-CG 3.93Å; F848-L852 HydrophobicContact CE1-CD1 4.12Å; F848-L852 HydrophobicContact CE1-CD2 3.87Å; F848-L852 HydrophobicContact CE1-CG 3.86Å; F848-L852 PolarHBondContact O-N 3.39Å; F848-W876 AromaticContact CD2-CH2 3.66Å; F848-W876 HydrophobicContact CD2-CH2 3.66Å; F848-W876 AromaticContact CD2-CZ2 4Å; F848-W876 HydrophobicContact CD2-CZ2 4Å; F848-W876 AromaticContact CE2-CH2 3.58Å; F848-W876 HydrophobicContact CE2-CH2 3.58Å; F848-W876 AromaticContact CE2-CZ2 3.55Å; F848-W876 HydrophobicContact CE2-CZ2 3.55Å; F848-W876 HydrophobicContact CZ-CZ2 4.37Å; F848-Y883 VanDerWaalsContact CD2-OH 3.26Å; F848-Y883 WeakPolarHBondContact CD2-OH 3.44Å
849	G	97.8	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-30	172.9	0	0	0	0	0	112.8	Y761 G845 Y846 S847 S853	Y761-G849 WeakPolarHBondContact O-CA 3.24Å; Y761-G849 PolarHBondContact O-N 2.78Å; G845-G849 VanDerWaalsContact C-C 3.49Å; G845-G849 VanDerWaalsContact CA-C 3.48Å; Y846-G849 WeakPolarHBondContact O-CA 3.31Å; Y846-G849 PolarHBondContact O-N 3.5Å; S847-G849 PolarHBondContact O-N 3.02Å; G849-S853 WeakPolarHBondContact O-CB 3.29Å; G849-S853 PolarHBondContact O-N 3.37Å; G849-S853 PolarHBondContact O-OG 2.68Å
850	G	98.2	Very high	97.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.7	-40.8	171.2	0	0	0	0	0	111.2	G845 Y846 S847 F848 S853 L854 A869	G845-G850 VanDerWaalsContact C-N 3.28Å; G845-G850 VanDerWaalsContact O-CA 3.31Å; G845-G850 WeakPolarHBondContact O-CA 3.42Å; G845-G850 PolarHBondContact O-N 3.05Å; Y846-G850 PolarHBondContact O-N 2.88Å; S847-G850 CarbonylContact O-C 3.57Å; S847-G850 VanDerWaalsContact O-CA 3.32Å; S847-G850 WeakPolarHBondContact O-CA 3.37Å; S847-G850 PolarHBondContact O-N 2.98Å; F848-G850 VanDerWaalsContact C-N 3.25Å; F848-G850 PolarHBondContact O-N 3.14Å; G850-S853 WeakPolarHBondContact O-CB 3.36Å; G850-S853 PolarHBondContact O-N 3.3Å; G850-L854 WeakPolarHBondContact O-CG 3.27Å; G850-L854 PolarHBondContact O-N 3.42Å; G850-A869 WeakPolarHBondContact O-CB 3.22Å
851	Y	98.6	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.2	-46.7	171.3	166.9	-113.2	0	0	0	112.1	L814 G815 S847 F848 S853 L854 M855 V873 W876 G901 I903	L814-Y851 PolarHBondContact O-OH 2.83Å; G815-Y851 WeakPolarHBondContact CA-OH 3.47Å; S847-Y851 PolarHBondContact O-N 2.85Å; F848-Y851 HydrophobicContact CD1-CD1 4.34Å; F848-Y851 HydrophobicContact CE1-CD1 4.1Å; F848-Y851 HydrophobicContact CE2-CD1 4.31Å; F848-Y851 HydrophobicContact CZ-CD1 4.07Å; F848-Y851 HydrophobicContact CZ-CE1 4.2Å; F848-Y851 WeakPolarHBondContact O-CA 3.35Å; F848-Y851 VanDerWaalsContact O-CB 3.28Å; F848-Y851 WeakPolarHBondContact O-CB 3.49Å; F848-Y851 PolarHBondContact O-N 3.03Å; F848-Y851 VanDerWaalsContact O-N 3.14Å; Y851-S853 VanDerWaalsContact C-N 3.3Å; Y851-S853 PolarHBondContact O-N 2.91Å; Y851-L854 WeakPolarHBondContact O-CB 3.47Å; Y851-L854 PolarHBondContact O-N 3.36Å; Y851-L854 VanDerWaalsContact O-N 3.17Å; Y851-M855 HydrophobicContact CD2-CG 4.34Å; Y851-M855 HydrophobicContact CE1-CG 4.38Å; Y851-M855 HydrophobicContact CE2-CG 3.91Å; Y851-M855 HydrophobicContact CE2-SD 4.3Å; Y851-M855 PolarHBondContact O-N 2.81Å; Y851-V873 VanDerWaalsContact CD2-O 3.23Å; Y851-V873 WeakPolarHBondContact CD2-O 3.41Å; Y851-W876 AromaticContact CD1-CZ2 3.9Å; Y851-W876 HydrophobicContact CD1-CZ2 3.9Å; Y851-W876 AromaticContact CE1-CZ2 3.82Å; Y851-W876 HydrophobicContact CE1-CZ2 3.82Å; Y851-W876 AromaticContact CE1-NE1 3.87Å; Y851-W876 AromaticContact CE2-NE1 3.92Å; Y851-W876 HydrophobicContact CG-CZ2 4.35Å; Y851-W876 AromaticContact CZ-NE1 3.43Å; Y851-W876 PolarHBondContact OH-NE1 2.98Å; Y851-G901 VanDerWaalsContact CE2-O 3.27Å; Y851-G901 WeakPolarHBondContact CE2-O 3.42Å; Y851-G901 WeakPolarHBondContact OH-CA 3.47Å; Y851-G901 PolarHBondContact OH-O 2.87Å; Y851-I903 HydrophobicContact CD2-CD1 3.68Å; Y851-I903 HydrophobicContact CD2-CG1 3.98Å; Y851-I903 HydrophobicContact CE2-CD1 3.57Å; Y851-I903 HydrophobicContact CE2-CG1 4Å
852	L	98.2	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.6	-34.2	174.3	-66.5	-170.8	0	0	0	112.7	V760 Y761 E818 L819 F848 L854 M855 A856	V760-L852 HydrophobicContact CG2-CB 4.44Å; Y761-L852 WeakPolarHBondContact O-CD1 3.23Å; E818-L852 HydrophobicContact CB-CD1 4Å; E818-L852 HydrophobicContact CB-CD2 3.95Å; E818-L852 HydrophobicContact CG-CD2 4.43Å; L819-L852 HydrophobicContact CD2-CB 4.34Å; L819-L852 HydrophobicContact CG-CD2 4.33Å; F848-L852 HydrophobicContact CD1-CD1 4.21Å; F848-L852 HydrophobicContact CD1-CD2 4.42Å; F848-L852 HydrophobicContact CD1-CG 3.93Å; F848-L852 HydrophobicContact CE1-CD1 4.12Å; F848-L852 HydrophobicContact CE1-CD2 3.87Å; F848-L852 HydrophobicContact CE1-CG 3.86Å; F848-L852 PolarHBondContact O-N 3.39Å; L852-L854 VanDerWaalsContact C-N 3.34Å; L852-M855 PolarHBondContact O-N 3.1Å; L852-A856 VanDerWaalsContact O-CB 3.29Å; L852-A856 WeakPolarHBondContact O-CB 3.5Å; L852-A856 PolarHBondContact O-N 2.79Å
853	S	98.5	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-39.7	173.5	-58.5	0	0	0	0	111.3	G845 G849 G850 Y851 A856 A857 A867 I868	G845-S853 PolarHBondContact N-OG 2.91Å; G845-S853 VanDerWaalsContact N-OG 3.15Å; G849-S853 WeakPolarHBondContact O-CB 3.29Å; G849-S853 PolarHBondContact O-N 3.37Å; G849-S853 PolarHBondContact O-OG 2.68Å; G850-S853 WeakPolarHBondContact O-CB 3.36Å; G850-S853 PolarHBondContact O-N 3.3Å; Y851-S853 VanDerWaalsContact C-N 3.3Å; Y851-S853 PolarHBondContact O-N 2.91Å; S853-A856 PolarHBondContact O-N 3.1Å; S853-A857 PolarHBondContact O-N 3.37Å; S853-A867 WeakPolarHBondContact O-CB 3.27Å; S853-I868 PolarHBondContact OG-O 3.11Å
854	L	98.4	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-48.9	171.6	-68.2	-179.1	0	0	0	111.6	G850 Y851 L852 A856 A857 M858 A869 P872 V874 I903 L917 I919 L936	G850-L854 WeakPolarHBondContact O-CG 3.27Å; G850-L854 PolarHBondContact O-N 3.42Å; Y851-L854 WeakPolarHBondContact O-CB 3.47Å; Y851-L854 PolarHBondContact O-N 3.36Å; Y851-L854 VanDerWaalsContact O-N 3.17Å; L852-L854 VanDerWaalsContact C-N 3.34Å; L854-A856 PolarHBondContact O-N 2.68Å; L854-A857 WeakPolarHBondContact O-CB 3.31Å; L854-A857 PolarHBondContact O-N 3.39Å; L854-M858 WeakPolarHBondContact O-CG 3.34Å; L854-M858 PolarHBondContact O-N 3.26Å; L854-M858 VanDerWaalsContact O-N 3.08Å; L854-A869 HydrophobicContact CD2-CB 3.59Å; L854-A869 HydrophobicContact CG-CB 3.67Å; L854-P872 HydrophobicContact CD1-CB 3.58Å; L854-P872 HydrophobicContact CD1-CG 3.7Å; L854-P872 HydrophobicContact CG-CB 4.13Å; L854-P872 HydrophobicContact CG-CG 4.35Å; L854-V874 HydrophobicContact CD1-CG2 3.88Å; L854-I903 HydrophobicContact CB-CD1 3.67Å; L854-I903 HydrophobicContact CB-CG1 4.05Å; L854-I903 HydrophobicContact CB-CG2 4.25Å; L854-I903 HydrophobicContact CD1-CG1 3.99Å; L854-I903 HydrophobicContact CD1-CG2 4.3Å; L854-L917 HydrophobicContact CD2-CD1 3.76Å; L854-L917 HydrophobicContact CD2-CD2 4.39Å; L854-I919 HydrophobicContact CD2-CG1 4.36Å; L854-L936 HydrophobicContact CD1-CD2 3.63Å; L854-L936 HydrophobicContact CD2-CD2 3.85Å; L854-L936 HydrophobicContact CG-CD2 4.41Å
855	M	97.8	Very high	97	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-56.9	-39.9	177.1	-73.3	-63.4	-88.3	0	0	111.6	G815 L819 Y851 L852 M858 L859 I903 Y906	G815-M855 WeakPolarHBondContact O-CE 3.35Å; L819-M855 HydrophobicContact CD1-CB 3.44Å; L819-M855 VanDerWaalsContact CD1-CB 3.44Å; Y851-M855 HydrophobicContact CD2-CG 4.34Å; Y851-M855 HydrophobicContact CE1-CG 4.38Å; Y851-M855 HydrophobicContact CE2-CG 3.91Å; Y851-M855 HydrophobicContact CE2-SD 4.3Å; Y851-M855 PolarHBondContact O-N 2.81Å; L852-M855 PolarHBondContact O-N 3.1Å; M855-M858 PolarHBondContact O-N 2.94Å; M855-L859 HydrophobicContact CE-CD1 3.69Å; M855-L859 WeakPolarHBondContact O-CB 3.27Å; M855-L859 PolarHBondContact O-N 3.2Å; M855-L859 HydrophobicContact SD-CD1 4.38Å; M855-I903 HydrophobicContact CB-CD1 4.49Å; M855-I903 HydrophobicContact CG-CD1 3.58Å; M855-I903 HydrophobicContact SD-CD1 3.4Å; M855-I903 WeakPolarHBondContact SD-CD1 3.39Å; M855-Y906 HydrophobicContact CE-CE2 4.03Å; M855-Y906 HydrophobicContact SD-CD2 4.16Å; M855-Y906 HydrophobicContact SD-CE2 4.18Å
856	A	97.7	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-41	175.4	0	0	0	0	0	112.6	L819 I843 L852 S853 L854 M858 L859 Y860 Y864	L819-A856 HydrophobicContact CD1-CB 4.01Å; L819-A856 HydrophobicContact CD2-CB 4.09Å; I843-A856 HydrophobicContact CD1-CB 3.78Å; I843-A856 HydrophobicContact CG2-CB 3.86Å; L852-A856 VanDerWaalsContact O-CB 3.29Å; L852-A856 WeakPolarHBondContact O-CB 3.5Å; L852-A856 PolarHBondContact O-N 2.79Å; S853-A856 PolarHBondContact O-N 3.1Å; L854-A856 PolarHBondContact O-N 2.68Å; A856-M858 PolarHBondContact O-N 2.98Å; A856-L859 PolarHBondContact O-N 2.61Å; A856-Y860 CarbonylContact O-C 3.57Å; A856-Y860 WeakPolarHBondContact O-CA 3.26Å; A856-Y860 PolarHBondContact O-N 3.1Å; A856-Y864 HydrophobicContact CB-CD2 3.67Å; A856-Y864 HydrophobicContact CB-CE2 3.89Å; A856-Y864 HydrophobicContact CB-CG 4.42Å
857	A	97.4	Very high	97	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-26.8	174.2	0	0	0	0	0	113	S853 L854 Q861 A867 H916 L917	S853-A857 PolarHBondContact O-N 3.37Å; L854-A857 WeakPolarHBondContact O-CB 3.31Å; L854-A857 PolarHBondContact O-N 3.39Å; A857-Q861 WeakPolarHBondContact O-CG 3.38Å; A857-Q861 PolarHBondContact O-OE1 3.32Å; A857-A867 HydrophobicContact CB-CB 3.53Å; A857-H916 WeakPolarHBondContact CA-NE2 3.49Å; A857-H916 PolarHBondContact O-NE2 3.25Å; A857-L917 HydrophobicContact CB-CD1 4.17Å
858	M	95.9	Very high	97.1	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.015	9%	0.086	C	C	.	.	H	α-helix	trans	-92.3	-39.4	179.1	-53.2	-54.6	153.7	0	0	112.4	L854 M855 A856 Q861 I903 M910 L917	L854-M858 WeakPolarHBondContact O-CG 3.34Å; L854-M858 PolarHBondContact O-N 3.26Å; L854-M858 VanDerWaalsContact O-N 3.08Å; M855-M858 PolarHBondContact O-N 2.94Å; A856-M858 PolarHBondContact O-N 2.98Å; M858-Q861 PolarHBondContact O-NE2 3.29Å; M858-I903 HydrophobicContact CE-CG2 4.16Å; M858-I903 HydrophobicContact CG-CG2 4.43Å; M858-M910 HydrophobicContact CE-CG 4.25Å; M858-M910 HydrophobicContact CE-SD 3.74Å; M858-M910 HydrophobicContact SD-CB 3.63Å; M858-M910 HydrophobicContact SD-CG 3.77Å; M858-M910 HydrophobicContact SD-SD 4.04Å; M858-L917 HydrophobicContact CE-CD2 4.26Å
859	L	95.4	Very high	97.2	Very high	74 Å²	74	17.5 Å²	17.5	39%	0.387	9%	0.086	S	C	.	.	H	α-helix	trans	-112.7	-21.8	-164.7	-58.1	178.6	0	0	0	114.9	M855 A856 Y906	M855-L859 HydrophobicContact CE-CD1 3.69Å; M855-L859 WeakPolarHBondContact O-CB 3.27Å; M855-L859 PolarHBondContact O-N 3.2Å; M855-L859 HydrophobicContact SD-CD1 4.38Å; A856-L859 PolarHBondContact O-N 2.61Å; L859-Y906 HydrophobicContact CD2-CD1 3.76Å; L859-Y906 HydrophobicContact CD2-CE1 4.17Å; L859-Y906 HydrophobicContact CD2-CG 4.05Å
860	Y	96.2	Very high	97.2	Very high	54 Å²	54	17.5 Å²	17.5	21%	0.212	9%	0.086	C	C	.	.			trans	-125.1	42.4	-172.4	-68.3	-88.2	0	0	0	111.9	L819 V823 A856 D862 V863 Y864	L819-Y860 HydrophobicContact CB-CD2 4Å; L819-Y860 HydrophobicContact CB-CE2 3.47Å; L819-Y860 VanDerWaalsContact CB-CE2 3.47Å; L819-Y860 HydrophobicContact CD1-CD2 3.75Å; L819-Y860 HydrophobicContact CD1-CE2 3.83Å; L819-Y860 HydrophobicContact CG-CD2 4.45Å; L819-Y860 HydrophobicContact CG-CE2 4.3Å; V823-Y860 HydrophobicContact CB-CD1 4.4Å; V823-Y860 HydrophobicContact CB-CE1 4.36Å; V823-Y860 HydrophobicContact CG1-CD1 4.42Å; V823-Y860 HydrophobicContact CG2-CD1 3.67Å; V823-Y860 HydrophobicContact CG2-CE1 3.97Å; V823-Y860 HydrophobicContact CG2-CG 4.14Å; A856-Y860 CarbonylContact O-C 3.57Å; A856-Y860 WeakPolarHBondContact O-CA 3.26Å; A856-Y860 PolarHBondContact O-N 3.1Å; Y860-D862 PolarHBondContact O-N 2.87Å; Y860-V863 PolarHBondContact O-N 3.32Å; Y860-Y864 WeakPolarHBondContact O-CD2 3.44Å; Y860-Y864 PolarHBondContact O-N 3.06Å
861	Q	94.8	Very high	97.2	Very high	40 Å²	40	17.6 Å²	17.6	19%	0.187	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.9	-172.7	-51.2	-173.9	59.6	0	0	112.8	A857 M858 V863 D909 L911	A857-Q861 WeakPolarHBondContact O-CG 3.38Å; A857-Q861 PolarHBondContact O-OE1 3.32Å; M858-Q861 PolarHBondContact O-NE2 3.29Å; Q861-V863 VanDerWaalsContact C-N 3.35Å; Q861-D909 PolarHBondContact NE2-O 2.98Å; Q861-L911 HydrophobicContact CB-CD1 3.82Å; Q861-L911 HydrophobicContact CB-CG 4.21Å
862	D	93.5	Very high	97.2	Very high	120 Å²	120	17.6 Å²	17.6	64%	0.642	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.4	169.8	67	-55.8	0	0	0	112.8	R827 Y860	R827-D862 IonicContact NH2-OD2 3.33Å; R827-D862 PolarHBondContact NH2-OD2 3.18Å; Y860-D862 PolarHBondContact O-N 2.87Å
863	V	95.7	Very high	97.2	Very high	10 Å²	10	17.8 Å²	17.8	6%	0.061	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-44.1	-178.7	-178	0	0	0	0	111.5	V823 L826 R827 Y860 Q861	V823-V863 HydrophobicContact CG1-CG1 4.29Å; V823-V863 HydrophobicContact CG1-CG2 3.81Å; V823-V863 HydrophobicContact CG2-CG1 4.24Å; V823-V863 HydrophobicContact CG2-CG2 4.44Å; L826-V863 HydrophobicContact CD2-CG1 3.85Å; R827-V863 VanDerWaalsContact NH2-CG2 3.35Å; Y860-V863 PolarHBondContact O-N 3.32Å; Q861-V863 VanDerWaalsContact C-N 3.35Å
864	Y	97.3	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.			trans	-107.4	114.2	-173.8	-60	-71.8	0	0	0	110.6	H758 V823 L826 V841 I843 A856 Y860 V866 H916	H758-Y864 HydrophobicContact CB-CE1 4.14Å; H758-Y864 PolarHBondContact CE1-OH 3.45Å; H758-Y864 AromaticContact ND1-CE1 3.67Å; H758-Y864 AromaticContact ND1-CZ 3.77Å; H758-Y864 PolarHBondContact ND1-OH 3.19Å; V823-Y864 HydrophobicContact CG2-CE2 3.78Å; L826-Y864 HydrophobicContact CD2-CE1 3.94Å; V841-Y864 HydrophobicContact CB-CD1 4.41Å; V841-Y864 HydrophobicContact CG1-CD1 3.83Å; V841-Y864 HydrophobicContact CG1-CE1 3.92Å; I843-Y864 HydrophobicContact CB-CD1 3.61Å; I843-Y864 HydrophobicContact CB-CE1 3.75Å; I843-Y864 HydrophobicContact CB-CG 4.1Å; I843-Y864 HydrophobicContact CD1-CE1 4.2Å; I843-Y864 HydrophobicContact CD1-CE2 4.24Å; I843-Y864 HydrophobicContact CG1-CE1 4.35Å; I843-Y864 HydrophobicContact CG2-CD1 3.95Å; I843-Y864 HydrophobicContact CG2-CD2 4.41Å; I843-Y864 HydrophobicContact CG2-CE1 4.45Å; I843-Y864 HydrophobicContact CG2-CG 3.91Å; A856-Y864 HydrophobicContact CB-CD2 3.67Å; A856-Y864 HydrophobicContact CB-CE2 3.89Å; A856-Y864 HydrophobicContact CB-CG 4.42Å; Y860-Y864 WeakPolarHBondContact O-CD2 3.44Å; Y860-Y864 PolarHBondContact O-N 3.06Å; Y864-V866 VanDerWaalsContact C-N 3.27Å; Y864-V866 PolarHBondContact O-N 3.05Å; Y864-H916 PolarHBondContact O-CE1 3.01Å
865	K	96.2	Very high	97.2	Very high	65 Å²	65	18.4 Å²	18.4	28%	0.283	9%	0.091	S	C	.	.	S	Bend	trans	-66	-36.5	174.5	-171.2	167.2	-176.2	177.4	0	111.1	V841 H916 T976 L977 S980	V841-K865 PolarHBondContact O-N 3.16Å; K865-H916 PolarHBondContact O-ND1 2.92Å; K865-H916 VanDerWaalsContact O-ND1 3.08Å; K865-T976 WeakPolarHBondContact CE-O 3.42Å; K865-T976 PolarHBondContact NZ-O 3.25Å; K865-L977 HydrophobicContact CB-CD2 4.18Å; K865-L977 HydrophobicContact CD-CD2 3.95Å; K865-L977 HydrophobicContact CG-CD2 4.34Å; K865-S980 PolarHBondContact NZ-OG 3.35Å
866	V	97.1	Very high	97.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.5	-175.4	173.5	0	0	0	0	110.7	A842 I843 Y864 I868 H916 F972 T976 L977	A842-V866 CarbonylContact C-O 3.54Å; A842-V866 VanDerWaalsContact CA-O 3.24Å; A842-V866 WeakPolarHBondContact CA-O 3.29Å; A842-V866 HydrophobicContact CB-CB 3.93Å; A842-V866 HydrophobicContact CB-CG1 4.28Å; I843-V866 PolarHBondContact N-O 2.79Å; Y864-V866 VanDerWaalsContact C-N 3.27Å; Y864-V866 PolarHBondContact O-N 3.05Å; V866-I868 HydrophobicContact CG1-CD1 4.31Å; V866-I868 HydrophobicContact CG1-CG1 3.9Å; V866-H916 CarbonylContact C-O 3.47Å; V866-H916 WeakPolarHBondContact CA-O 3.26Å; V866-F972 HydrophobicContact CG1-CD1 3.94Å; V866-F972 HydrophobicContact CG1-CE1 3.42Å; V866-F972 VanDerWaalsContact CG1-CE1 3.42Å; V866-F972 HydrophobicContact CG1-CZ 4.47Å; V866-T976 HydrophobicContact CG2-CG2 4.11Å; V866-L977 HydrophobicContact CG2-CD2 4.42Å
867	A	98.5	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.5	170	0	0	0	0	0	111.6	I843 S853 A857 H916 L917 F918	I843-A867 HydrophobicContact CG2-CB 3.78Å; S853-A867 WeakPolarHBondContact O-CB 3.27Å; A857-A867 HydrophobicContact CB-CB 3.53Å; A867-H916 PolarHBondContact N-O 3.08Å; A867-L917 HydrophobicContact CB-CD1 4.36Å; A867-F918 PolarHBondContact O-N 2.7Å
868	I	98.7	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	103.2	-178.8	-57.7	-179	0	0	0	108.8	I843 M844 G845 S853 V866 I870 F918 F920 V969 F972 L973	I843-I868 PolarHBondContact O-N 2.88Å; M844-I868 WeakPolarHBondContact CA-O 3.13Å; M844-I868 HydrophobicContact CB-CB 4Å; M844-I868 HydrophobicContact CB-CG2 4.49Å; M844-I868 HydrophobicContact CG-CB 3.87Å; M844-I868 HydrophobicContact CG-CG2 3.81Å; M844-I868 HydrophobicContact SD-CG2 4.19Å; G845-I868 PolarHBondContact N-O 3.43Å; S853-I868 PolarHBondContact OG-O 3.11Å; V866-I868 HydrophobicContact CG1-CD1 4.31Å; V866-I868 HydrophobicContact CG1-CG1 3.9Å; I868-I870 HydrophobicContact CG2-CD1 4.33Å; I868-I870 HydrophobicContact CG2-CG1 4.2Å; I868-F918 CarbonylContact C-O 3.57Å; I868-F918 WeakPolarHBondContact CA-O 3.34Å; I868-F920 HydrophobicContact CG2-CD2 4.09Å; I868-F920 HydrophobicContact CG2-CE2 3.77Å; I868-V969 HydrophobicContact CD1-CB 4.46Å; I868-V969 HydrophobicContact CD1-CG1 3.67Å; I868-V969 HydrophobicContact CD1-CG2 4.28Å; I868-V969 HydrophobicContact CG2-CG2 4.01Å; I868-F972 HydrophobicContact CD1-CD1 4.29Å; I868-L973 HydrophobicContact CD1-CD2 4.04Å; I868-L973 HydrophobicContact CD1-CG 4.37Å
869	A	98.6	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.2	-176.2	0	0	0	0	0	111	G850 L854 P872 F918 I919 F920	G850-A869 WeakPolarHBondContact O-CB 3.22Å; L854-A869 HydrophobicContact CD2-CB 3.59Å; L854-A869 HydrophobicContact CG-CB 3.67Å; A869-P872 HydrophobicContact CB-CB 4.25Å; A869-P872 HydrophobicContact CB-CG 4.13Å; A869-F918 PolarHBondContact N-O 3.34Å; A869-I919 CarbonylContact O-C 3.51Å; A869-I919 WeakPolarHBondContact O-CA 3.43Å; A869-F920 PolarHBondContact O-N 2.96Å
870	I	98.5	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.3	-177.9	-52.8	172	0	0	0	110	M844 G845 Y846 S847 I868 F920 L959 V965	M844-I870 HydrophobicContact CG-CD1 4.25Å; M844-I870 HydrophobicContact SD-CD1 4.29Å; G845-I870 PolarHBondContact O-N 2.62Å; Y846-I870 CarbonylContact C-O 3.56Å; Y846-I870 VanDerWaalsContact CA-O 3.28Å; Y846-I870 WeakPolarHBondContact CA-O 3.44Å; Y846-I870 HydrophobicContact CD1-CB 3.77Å; Y846-I870 HydrophobicContact CD1-CD1 4.17Å; Y846-I870 HydrophobicContact CD1-CG2 3.39Å; Y846-I870 HydrophobicContact CD2-CD1 4.15Å; Y846-I870 HydrophobicContact CE1-CB 4.04Å; Y846-I870 HydrophobicContact CE1-CD1 3.65Å; Y846-I870 HydrophobicContact CE1-CG1 4.43Å; Y846-I870 HydrophobicContact CE1-CG2 3.5Å; Y846-I870 HydrophobicContact CE2-CD1 3.63Å; Y846-I870 HydrophobicContact CG-CB 4.06Å; Y846-I870 HydrophobicContact CG-CD1 4.39Å; Y846-I870 HydrophobicContact CG-CG2 4.19Å; S847-I870 PolarHBondContact N-O 3.28Å; I868-I870 HydrophobicContact CG2-CD1 4.33Å; I868-I870 HydrophobicContact CG2-CG1 4.2Å; I870-F920 HydrophobicContact CB-CB 4.36Å; I870-F920 HydrophobicContact CG1-CB 4.09Å; I870-F920 HydrophobicContact CG1-CD2 3.98Å; I870-F920 HydrophobicContact CG1-CG 4.28Å; I870-F920 HydrophobicContact CG2-CB 4.04Å; I870-L959 HydrophobicContact CG2-CD1 3.54Å; I870-L959 HydrophobicContact CG2-CG 4.38Å; I870-V965 HydrophobicContact CD1-CG1 4.05Å
871	S	98	Very high	97.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.097	C	C	.	.	S	Bend	trans	44.5	51.9	-173.4	-59	0	0	0	0	114	S847 F920	S847-S871 WeakPolarHBondContact CA-O 3.27Å; S871-F920 PolarHBondContact N-O 2.99Å
872	P	98.5	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.			trans	-76.6	144.6	-171.2	32.9	-37.4	0	0	0	113.3	L854 A869 I919 V928	L854-P872 HydrophobicContact CD1-CB 3.58Å; L854-P872 HydrophobicContact CD1-CG 3.7Å; L854-P872 HydrophobicContact CG-CB 4.13Å; L854-P872 HydrophobicContact CG-CG 4.35Å; A869-P872 HydrophobicContact CB-CB 4.25Å; A869-P872 HydrophobicContact CB-CG 4.13Å; P872-I919 HydrophobicContact CG-CG2 4.46Å; P872-V928 VanDerWaalsContact O-CG1 3.28Å; P872-V928 WeakPolarHBondContact O-CG1 3.25Å
873	V	98.4	Very high	97.7	Very high	3 Å²	3	14 Å²	14	2%	0.018	6%	0.061	C	C	.	.			trans	-69.6	136	157.7	179.5	0	0	0	0	108.1	Y851 W876 Y879 V928	Y851-V873 VanDerWaalsContact CD2-O 3.23Å; Y851-V873 WeakPolarHBondContact CD2-O 3.41Å; V873-W876 HydrophobicContact CB-CH2 4.2Å; V873-W876 HydrophobicContact CB-CZ2 4.47Å; V873-W876 HydrophobicContact CB-CZ3 4.38Å; V873-W876 HydrophobicContact CG1-CD2 3.94Å; V873-W876 HydrophobicContact CG1-CE3 3.82Å; V873-W876 HydrophobicContact CG1-CH2 4.03Å; V873-W876 HydrophobicContact CG1-CZ2 4.18Å; V873-W876 HydrophobicContact CG1-CZ3 3.86Å; V873-W876 HydrophobicContact CG2-CH2 4.16Å; V873-W876 HydrophobicContact CG2-CZ3 4.15Å; V873-Y879 HydrophobicContact CG2-CD2 4.16Å; V873-Y879 HydrophobicContact CG2-CE2 4.23Å; V873-V928 HydrophobicContact CG2-CG1 4.13Å; V873-V928 HydrophobicContact CG2-CG2 3.91Å
874	V	98.5	Very high	97.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	6%	0.058	C	C	.	.			trans	-114.3	-37.5	-179.9	171.4	0	0	0	0	111.9	L854 N902 I903 M904 H932 L936	L854-V874 HydrophobicContact CD1-CG2 3.88Å; V874-N902 PolarHBondContact O-OD1 3.18Å; V874-I903 HydrophobicContact CG1-CB 4.06Å; V874-I903 HydrophobicContact CG1-CG1 4.49Å; V874-I903 PolarHBondContact O-N 3.35Å; V874-M904 HydrophobicContact CG1-CE 3.63Å; V874-M904 HydrophobicContact CG1-CG 4.32Å; V874-M904 HydrophobicContact CG1-SD 4.15Å; V874-H932 HydrophobicContact CB-CB 3.96Å; V874-H932 HydrophobicContact CG2-CB 3.91Å; V874-H932 PolarHBondContact N-ND1 2.83Å; V874-H932 VanDerWaalsContact N-ND1 3.19Å; V874-L936 HydrophobicContact CG1-CB 4.02Å; V874-L936 HydrophobicContact CG2-CB 4.05Å; V874-L936 HydrophobicContact CG2-CD2 3.99Å
875	D	97.9	Very high	97.8	Very high	13 Å²	13	13.5 Å²	13.5	7%	0.07	6%	0.058	C	C	.	.			trans	-142.6	110.7	-175.1	-176.9	-15.6	0	0	0	108.7	R877 L878 N902 H932	D875-R877 PolarHBondContact O-N 2.87Å; D875-R877 VanDerWaalsContact OD1-CB 3.3Å; D875-R877 WeakPolarHBondContact OD1-CB 3.3Å; D875-R877 WeakPolarHBondContact OD1-CG 3.48Å; D875-R877 IonicContact OD1-CZ 3.11Å; D875-R877 PolarHBondContact OD1-N 2.9Å; D875-R877 IonicContact OD1-NE 2.64Å; D875-R877 PolarHBondContact OD1-NE 3.17Å; D875-R877 IonicContact OD1-NH2 3.23Å; D875-R877 IonicContact OD2-CZ 2.79Å; D875-R877 VanDerWaalsContact OD2-CZ 3.23Å; D875-R877 IonicContact OD2-NE 2.61Å; D875-R877 PolarHBondContact OD2-NE 2.95Å; D875-R877 VanDerWaalsContact OD2-NE 3.11Å; D875-R877 IonicContact OD2-NH2 2.75Å; D875-R877 PolarHBondContact OD2-NH2 2.84Å; D875-L878 HydrophobicContact CB-CD1 4.15Å; D875-L878 HydrophobicContact CB-CG 4.21Å; D875-L878 WeakPolarHBondContact O-CB 3.18Å; D875-L878 PolarHBondContact O-N 3.05Å; D875-N902 PolarHBondContact OD1-ND2 2.83Å; D875-N902 PolarHBondContact OD2-ND2 2.81Å; D875-H932 PolarHBondContact N-ND1 2.78Å; D875-H932 PolarHBondContact O-CE1 2.8Å
876	W	97.8	Very high	97.9	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-58.8	-18.5	-177.5	-70.8	112.2	0	0	0	113.9	L814 F848 Y851 V873 L878 Y879 Y883 T884 I888 Y898	L814-W876 HydrophobicContact CD1-CD2 4.35Å; L814-W876 HydrophobicContact CD1-CH2 4.26Å; L814-W876 HydrophobicContact CD1-CZ2 3.99Å; F848-W876 AromaticContact CD2-CH2 3.66Å; F848-W876 HydrophobicContact CD2-CH2 3.66Å; F848-W876 AromaticContact CD2-CZ2 4Å; F848-W876 HydrophobicContact CD2-CZ2 4Å; F848-W876 AromaticContact CE2-CH2 3.58Å; F848-W876 HydrophobicContact CE2-CH2 3.58Å; F848-W876 AromaticContact CE2-CZ2 3.55Å; F848-W876 HydrophobicContact CE2-CZ2 3.55Å; F848-W876 HydrophobicContact CZ-CZ2 4.37Å; Y851-W876 AromaticContact CD1-CZ2 3.9Å; Y851-W876 HydrophobicContact CD1-CZ2 3.9Å; Y851-W876 AromaticContact CE1-CZ2 3.82Å; Y851-W876 HydrophobicContact CE1-CZ2 3.82Å; Y851-W876 AromaticContact CE1-NE1 3.87Å; Y851-W876 AromaticContact CE2-NE1 3.92Å; Y851-W876 HydrophobicContact CG-CZ2 4.35Å; Y851-W876 AromaticContact CZ-NE1 3.43Å; Y851-W876 PolarHBondContact OH-NE1 2.98Å; V873-W876 HydrophobicContact CB-CH2 4.2Å; V873-W876 HydrophobicContact CB-CZ2 4.47Å; V873-W876 HydrophobicContact CB-CZ3 4.38Å; V873-W876 HydrophobicContact CG1-CD2 3.94Å; V873-W876 HydrophobicContact CG1-CE3 3.82Å; V873-W876 HydrophobicContact CG1-CH2 4.03Å; V873-W876 HydrophobicContact CG1-CZ2 4.18Å; V873-W876 HydrophobicContact CG1-CZ3 3.86Å; V873-W876 HydrophobicContact CG2-CH2 4.16Å; V873-W876 HydrophobicContact CG2-CZ3 4.15Å; W876-L878 PolarHBondContact O-N 3.45Å; W876-Y879 HydrophobicContact CE3-CD1 4.4Å; W876-Y879 HydrophobicContact CZ3-CD1 4.06Å; W876-Y879 HydrophobicContact CZ3-CG 4.41Å; W876-Y879 PolarHBondContact O-N 3.41Å; W876-Y883 HydrophobicContact CE3-CE1 4.45Å; W876-Y883 AromaticContact CH2-CE1 3.75Å; W876-Y883 HydrophobicContact CH2-CE1 3.75Å; W876-Y883 AromaticContact CZ3-CD1 3.81Å; W876-Y883 HydrophobicContact CZ3-CD1 3.81Å; W876-Y883 AromaticContact CZ3-CE1 3.48Å; W876-Y883 HydrophobicContact CZ3-CE1 3.48Å; W876-Y883 VanDerWaalsContact CZ3-CE1 3.48Å; W876-T884 HydrophobicContact CB-CG2 3.87Å; W876-T884 HydrophobicContact CE3-CG2 4.33Å; W876-T884 WeakPolarHBondContact O-CG2 3.4Å; W876-I888 HydrophobicContact CB-CD1 3.65Å; W876-I888 HydrophobicContact CD2-CD1 4.05Å; W876-I888 HydrophobicContact CG-CD1 3.51Å; W876-Y898 HydrophobicContact CB-CD1 3.91Å; W876-Y898 HydrophobicContact CB-CE1 4.02Å
877	R	96.5	Very high	97.9	Very high	128 Å²	128	12.1 Å²	12.1	48%	0.483	5%	0.051	S	C	.	.	G	3₁₀ helix	trans	-70.7	-17.4	175.1	-58.8	173.7	-67.3	169.3	-2.3	113.6	D875 Y898 N902	D875-R877 PolarHBondContact O-N 2.87Å; D875-R877 VanDerWaalsContact OD1-CB 3.3Å; D875-R877 WeakPolarHBondContact OD1-CB 3.3Å; D875-R877 WeakPolarHBondContact OD1-CG 3.48Å; D875-R877 IonicContact OD1-CZ 3.11Å; D875-R877 PolarHBondContact OD1-N 2.9Å; D875-R877 IonicContact OD1-NE 2.64Å; D875-R877 PolarHBondContact OD1-NE 3.17Å; D875-R877 IonicContact OD1-NH2 3.23Å; D875-R877 IonicContact OD2-CZ 2.79Å; D875-R877 VanDerWaalsContact OD2-CZ 3.23Å; D875-R877 IonicContact OD2-NE 2.61Å; D875-R877 PolarHBondContact OD2-NE 2.95Å; D875-R877 VanDerWaalsContact OD2-NE 3.11Å; D875-R877 IonicContact OD2-NH2 2.75Å; D875-R877 PolarHBondContact OD2-NH2 2.84Å; R877-Y898 HydrophobicContact CG-CD1 3.55Å; R877-Y898 HydrophobicContact CG-CE1 4.12Å; R877-Y898 HydrophobicContact CG-CG 4.36Å; R877-N902 PolarHBondContact NH2-ND2 2.78Å
878	L	96.6	Very high	97.8	Very high	43 Å²	43	12.2 Å²	12.2	23%	0.225	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-92.7	-10.9	178.8	-59.2	178.6	0	0	0	112.7	D875 W876 L931	D875-L878 HydrophobicContact CB-CD1 4.15Å; D875-L878 HydrophobicContact CB-CG 4.21Å; D875-L878 WeakPolarHBondContact O-CB 3.18Å; D875-L878 PolarHBondContact O-N 3.05Å; W876-L878 PolarHBondContact O-N 3.45Å; L878-L931 HydrophobicContact CD1-CD2 4.16Å; L878-L931 HydrophobicContact CD1-CG 4.12Å; L878-L931 HydrophobicContact CD2-CD2 4.04Å
879	Y	97.6	Very high	97.7	Very high	10 Å²	10	12.7 Å²	12.7	4%	0.039	6%	0.056	C	C	.	.	S	Bend	trans	-91	166.4	-179.7	-149.8	-113	0	0	0	110.9	I274 A275 V873 W876 Y883 N927 V928	I274-Y879 CarbonylContact C-O 3.52Å; I274-Y879 WeakPolarHBondContact CA-O 3.45Å; A275-Y879 PolarHBondContact N-O 2.84Å; V873-Y879 HydrophobicContact CG2-CD2 4.16Å; V873-Y879 HydrophobicContact CG2-CE2 4.23Å; W876-Y879 HydrophobicContact CE3-CD1 4.4Å; W876-Y879 HydrophobicContact CZ3-CD1 4.06Å; W876-Y879 HydrophobicContact CZ3-CG 4.41Å; W876-Y879 PolarHBondContact O-N 3.41Å; Y879-Y883 AromaticContact CD1-CD1 3.89Å; Y879-Y883 HydrophobicContact CD1-CD1 3.89Å; Y879-Y883 HydrophobicContact CD1-CG 4.12Å; Y879-Y883 AromaticContact CE1-CD1 3.85Å; Y879-Y883 HydrophobicContact CE1-CD1 3.85Å; Y879-Y883 HydrophobicContact CE1-CD2 4.35Å; Y879-Y883 AromaticContact CE1-CG 3.76Å; Y879-Y883 HydrophobicContact CE1-CG 3.76Å; Y879-N927 WeakPolarHBondContact CE2-O 3.31Å; Y879-N927 PolarHBondContact OH-ND2 2.86Å; Y879-N927 PolarHBondContact OH-OD1 3.49Å; Y879-V928 HydrophobicContact CD2-CG2 4.37Å; Y879-V928 HydrophobicContact CE2-CB 4.4Å; Y879-V928 HydrophobicContact CE2-CG2 3.55Å
880	D	97.6	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-68.4	164.2	-168.2	73.6	86.1	0	0	0	113.7	F217 V218 Y272 P273 A882 Y883 T884	F217-D880 HydrophobicContact CE1-CB 4.4Å; V218-D880 HydrophobicContact CG1-CB 3.95Å; Y272-D880 HydrophobicContact CE1-CB 4.04Å; Y272-D880 PolarHBondContact OH-N 2.62Å; P273-D880 CarbonylContact O-C 3.57Å; P273-D880 WeakPolarHBondContact O-CA 3.34Å; D880-A882 WeakPolarHBondContact OD1-CA 3.48Å; D880-A882 PolarHBondContact OD1-N 2.71Å; D880-Y883 PolarHBondContact OD1-N 2.74Å; D880-T884 WeakPolarHBondContact O-CB 3.45Å; D880-T884 PolarHBondContact O-N 2.92Å; D880-T884 PolarHBondContact O-OG1 2.91Å
881	T	98	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-51.2	178.3	53.1	0	0	0	0	113.1	P273 I274 N279 Y318 E885	P273-T881 HydrophobicContact CB-CG2 3.95Å; P273-T881 WeakPolarHBondContact O-CG2 3.39Å; P273-T881 PolarHBondContact O-N 2.76Å; I274-T881 VanDerWaalsContact O-CG2 3.29Å; I274-T881 WeakPolarHBondContact O-CG2 3.44Å; N279-T881 PolarHBondContact OD1-OG1 2.9Å; Y318-T881 PolarHBondContact OH-OG1 3.32Å; T881-E885 WeakPolarHBondContact CG2-OE1 3.47Å; T881-E885 WeakPolarHBondContact O-CB 3.47Å; T881-E885 WeakPolarHBondContact O-CG 3.44Å; T881-E885 PolarHBondContact O-N 2.83Å
882	A	97.3	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70	-42.7	-166.4	0	0	0	0	0	111.8	V218 E222 F223 Y318 Q340 D880 R886	V218-A882 HydrophobicContact CB-CB 3.99Å; V218-A882 HydrophobicContact CG1-CB 4.44Å; E222-A882 HydrophobicContact CB-CB 3.83Å; E222-A882 HydrophobicContact CG-CB 3.92Å; F223-A882 HydrophobicContact CE2-CB 3.74Å; F223-A882 HydrophobicContact CZ-CB 4.33Å; Y318-A882 HydrophobicContact CE1-CB 4.36Å; Q340-A882 PolarHBondContact NE2-O 3.13Å; D880-A882 WeakPolarHBondContact OD1-CA 3.48Å; D880-A882 PolarHBondContact OD1-N 2.71Å; A882-R886 VanDerWaalsContact O-CB 3.24Å; A882-R886 WeakPolarHBondContact O-CB 3.33Å; A882-R886 PolarHBondContact O-N 3.16Å
883	Y	97.7	Very high	97.5	Very high	16 Å²	16	27.9 Å²	27.9	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-67.8	-54.7	174.9	-172.2	-83.2	0	0	0	110.6	E222 P764 L814 F848 W876 Y879 D880 R886 Y887	E222-Y883 WeakPolarHBondContact OE2-CD2 3.43Å; P764-Y883 WeakPolarHBondContact CD-OH 3.22Å; P764-Y883 HydrophobicContact CG-CE2 4.44Å; P764-Y883 WeakPolarHBondContact CG-OH 3.29Å; L814-Y883 HydrophobicContact CD1-CE1 4.45Å; F848-Y883 VanDerWaalsContact CD2-OH 3.26Å; F848-Y883 WeakPolarHBondContact CD2-OH 3.44Å; W876-Y883 HydrophobicContact CE3-CE1 4.45Å; W876-Y883 AromaticContact CH2-CE1 3.75Å; W876-Y883 HydrophobicContact CH2-CE1 3.75Å; W876-Y883 AromaticContact CZ3-CD1 3.81Å; W876-Y883 HydrophobicContact CZ3-CD1 3.81Å; W876-Y883 AromaticContact CZ3-CE1 3.48Å; W876-Y883 HydrophobicContact CZ3-CE1 3.48Å; W876-Y883 VanDerWaalsContact CZ3-CE1 3.48Å; Y879-Y883 AromaticContact CD1-CD1 3.89Å; Y879-Y883 HydrophobicContact CD1-CD1 3.89Å; Y879-Y883 HydrophobicContact CD1-CG 4.12Å; Y879-Y883 AromaticContact CE1-CD1 3.85Å; Y879-Y883 HydrophobicContact CE1-CD1 3.85Å; Y879-Y883 HydrophobicContact CE1-CD2 4.35Å; Y879-Y883 AromaticContact CE1-CG 3.76Å; Y879-Y883 HydrophobicContact CE1-CG 3.76Å; D880-Y883 PolarHBondContact OD1-N 2.74Å; Y883-R886 WeakPolarHBondContact O-CB 3.39Å; Y883-R886 PolarHBondContact O-N 2.81Å; Y883-Y887 AromaticContact CD1-CD2 3.74Å; Y883-Y887 HydrophobicContact CD1-CD2 3.74Å; Y883-Y887 AromaticContact CD1-CE2 3.86Å; Y883-Y887 HydrophobicContact CD1-CE2 3.86Å; Y883-Y887 HydrophobicContact CD2-CD2 4.38Å; Y883-Y887 AromaticContact CD2-CE2 3.65Å; Y883-Y887 HydrophobicContact CD2-CE2 3.65Å; Y883-Y887 AromaticContact CE1-CD2 3.58Å; Y883-Y887 HydrophobicContact CE1-CD2 3.58Å; Y883-Y887 AromaticContact CE1-CE2 3.71Å; Y883-Y887 HydrophobicContact CE1-CE2 3.71Å; Y883-Y887 HydrophobicContact CE2-CD2 4.26Å; Y883-Y887 AromaticContact CE2-CE2 3.5Å; Y883-Y887 HydrophobicContact CE2-CE2 3.5Å; Y883-Y887 HydrophobicContact CG-CD2 4.14Å; Y883-Y887 AromaticContact CG-CE2 3.82Å; Y883-Y887 HydrophobicContact CG-CE2 3.82Å; Y883-Y887 AromaticContact CZ-CD2 3.86Å; Y883-Y887 AromaticContact CZ-CE2 3.53Å; Y883-Y887 WeakPolarHBondContact O-CD2 3.34Å; Y883-Y887 PolarHBondContact O-N 2.84Å
884	T	98	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.5	-44.6	-168.5	-45.5	0	0	0	0	112.3	A275 W876 D880 R886 Y887 I888 Y898	A275-T884 HydrophobicContact CB-CG2 4.04Å; W876-T884 HydrophobicContact CB-CG2 3.87Å; W876-T884 HydrophobicContact CE3-CG2 4.33Å; W876-T884 WeakPolarHBondContact O-CG2 3.4Å; D880-T884 WeakPolarHBondContact O-CB 3.45Å; D880-T884 PolarHBondContact O-N 2.92Å; D880-T884 PolarHBondContact O-OG1 2.91Å; T884-R886 VanDerWaalsContact C-N 3.3Å; T884-R886 PolarHBondContact O-N 3.26Å; T884-Y887 PolarHBondContact O-N 2.59Å; T884-I888 HydrophobicContact CG2-CD1 3.89Å; T884-I888 HydrophobicContact CG2-CG1 4.33Å; T884-I888 PolarHBondContact O-N 2.93Å; T884-Y898 HydrophobicContact CG2-CE1 3.61Å; T884-Y898 VanDerWaalsContact CG2-OH 3.31Å; T884-Y898 WeakPolarHBondContact CG2-OH 3.49Å
885	E	98.1	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.5	-25.7	-178.1	-59.3	175.7	-170.6	0	0	111.9	A275 G276 R338 L339 T881 G889 L890	A275-E885 HydrophobicContact CB-CG 4.45Å; G276-E885 PolarHBondContact N-OE1 2.7Å; R338-E885 WeakPolarHBondContact CG-OE2 3.39Å; R338-E885 IonicContact CZ-OE1 3.52Å; R338-E885 IonicContact CZ-OE2 3.94Å; R338-E885 IonicContact NE-OE1 2.99Å; R338-E885 IonicContact NE-OE2 3.23Å; R338-E885 PolarHBondContact NE-OE2 2.58Å; R338-E885 IonicContact NH2-OE1 3.23Å; R338-E885 PolarHBondContact NH2-OE1 3.17Å; R338-E885 IonicContact NH2-OE2 3.18Å; L339-E885 HydrophobicContact CD2-CB 4.37Å; T881-E885 WeakPolarHBondContact CG2-OE1 3.47Å; T881-E885 WeakPolarHBondContact O-CB 3.47Å; T881-E885 WeakPolarHBondContact O-CG 3.44Å; T881-E885 PolarHBondContact O-N 2.83Å; E885-G889 VanDerWaalsContact O-CA 3.24Å; E885-G889 WeakPolarHBondContact O-CA 3.32Å; E885-G889 PolarHBondContact O-N 3.29Å; E885-L890 HydrophobicContact CG-CD2 4.04Å; E885-L890 WeakPolarHBondContact OE1-CD2 3.49Å; E885-L890 WeakPolarHBondContact OE2-CD2 3.36Å
886	R	97.6	Very high	97.2	Very high	30 Å²	30	36.8 Å²	36.8	11%	0.113	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-47.1	171.4	-176	-171.6	-65.7	166.5	4.8	111.1	E222 F223 W401 K811 A882 Y883 T884	E222-R886 PolarHBondContact O-NH2 3.01Å; F223-R886 VanDerWaalsContact CE1-NH2 3.32Å; W401-R886 HydrophobicContact CB-CG 3.72Å; W401-R886 HydrophobicContact CD2-CG 4.04Å; W401-R886 HydrophobicContact CE3-CG 4.47Å; W401-R886 HydrophobicContact CG-CG 3.67Å; K811-R886 PolarHBondContact NZ-O 3.04Å; A882-R886 VanDerWaalsContact O-CB 3.24Å; A882-R886 WeakPolarHBondContact O-CB 3.33Å; A882-R886 PolarHBondContact O-N 3.16Å; Y883-R886 WeakPolarHBondContact O-CB 3.39Å; Y883-R886 PolarHBondContact O-N 2.81Å; T884-R886 VanDerWaalsContact C-N 3.3Å; T884-R886 PolarHBondContact O-N 3.26Å
887	Y	97.3	Very high	97.2	Very high	8 Å²	8	37 Å²	37	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-95.2	-32.2	-171.8	-54.9	-60.2	0	0	0	114.3	W401 P764 I810 K811 N812 L814 Y883 T884	W401-Y887 HydrophobicContact CD2-CD1 4.27Å; W401-Y887 HydrophobicContact CD2-CE1 4.2Å; W401-Y887 AromaticContact CE2-CE1 3.81Å; W401-Y887 AromaticContact CE3-CD1 3.98Å; W401-Y887 HydrophobicContact CE3-CD1 3.98Å; W401-Y887 HydrophobicContact CE3-CE1 4.37Å; W401-Y887 AromaticContact CH2-CD1 3.62Å; W401-Y887 HydrophobicContact CH2-CD1 3.62Å; W401-Y887 AromaticContact CH2-CE1 3.83Å; W401-Y887 HydrophobicContact CH2-CE1 3.83Å; W401-Y887 AromaticContact CZ2-CD1 3.93Å; W401-Y887 HydrophobicContact CZ2-CD1 3.93Å; W401-Y887 AromaticContact CZ2-CE1 3.63Å; W401-Y887 HydrophobicContact CZ2-CE1 3.63Å; W401-Y887 AromaticContact CZ3-CD1 3.65Å; W401-Y887 HydrophobicContact CZ3-CD1 3.65Å; W401-Y887 HydrophobicContact CZ3-CE1 4.2Å; P764-Y887 HydrophobicContact CB-CD1 4.22Å; P764-Y887 HydrophobicContact CB-CE1 3.5Å; P764-Y887 HydrophobicContact CB-CE2 4.27Å; P764-Y887 HydrophobicContact CG-CD1 3.99Å; P764-Y887 HydrophobicContact CG-CD2 3.93Å; P764-Y887 HydrophobicContact CG-CE1 3.56Å; P764-Y887 HydrophobicContact CG-CE2 3.51Å; P764-Y887 HydrophobicContact CG-CG 4.17Å; I810-Y887 HydrophobicContact CD1-CD1 4.24Å; K811-Y887 CarbonylContact C-O 3.54Å; K811-Y887 WeakPolarHBondContact CA-O 3.4Å; N812-Y887 PolarHBondContact N-O 3.27Å; L814-Y887 HydrophobicContact CD1-CD2 4.37Å; L814-Y887 HydrophobicContact CD1-CG 4.33Å; Y883-Y887 AromaticContact CD1-CD2 3.74Å; Y883-Y887 HydrophobicContact CD1-CD2 3.74Å; Y883-Y887 AromaticContact CD1-CE2 3.86Å; Y883-Y887 HydrophobicContact CD1-CE2 3.86Å; Y883-Y887 HydrophobicContact CD2-CD2 4.38Å; Y883-Y887 AromaticContact CD2-CE2 3.65Å; Y883-Y887 HydrophobicContact CD2-CE2 3.65Å; Y883-Y887 AromaticContact CE1-CD2 3.58Å; Y883-Y887 HydrophobicContact CE1-CD2 3.58Å; Y883-Y887 AromaticContact CE1-CE2 3.71Å; Y883-Y887 HydrophobicContact CE1-CE2 3.71Å; Y883-Y887 HydrophobicContact CE2-CD2 4.26Å; Y883-Y887 AromaticContact CE2-CE2 3.5Å; Y883-Y887 HydrophobicContact CE2-CE2 3.5Å; Y883-Y887 HydrophobicContact CG-CD2 4.14Å; Y883-Y887 AromaticContact CG-CE2 3.82Å; Y883-Y887 HydrophobicContact CG-CE2 3.82Å; Y883-Y887 AromaticContact CZ-CD2 3.86Å; Y883-Y887 AromaticContact CZ-CE2 3.53Å; Y883-Y887 WeakPolarHBondContact O-CD2 3.34Å; Y883-Y887 PolarHBondContact O-N 2.84Å; T884-Y887 PolarHBondContact O-N 2.59Å
888	I	97.2	Very high	97.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-26.7	-177.5	-46.8	-176.5	0	0	0	112.2	N812 L814 W876 T884 N894 A897 Y898	N812-I888 PolarHBondContact OD1-O 3.48Å; L814-I888 HydrophobicContact CB-CD1 4.36Å; L814-I888 HydrophobicContact CB-CG1 4.38Å; L814-I888 HydrophobicContact CD1-CD1 3.94Å; L814-I888 HydrophobicContact CD1-CG1 3.72Å; L814-I888 HydrophobicContact CG-CD1 4.47Å; L814-I888 HydrophobicContact CG-CG1 4.09Å; W876-I888 HydrophobicContact CB-CD1 3.65Å; W876-I888 HydrophobicContact CD2-CD1 4.05Å; W876-I888 HydrophobicContact CG-CD1 3.51Å; T884-I888 HydrophobicContact CG2-CD1 3.89Å; T884-I888 HydrophobicContact CG2-CG1 4.33Å; T884-I888 PolarHBondContact O-N 2.93Å; I888-N894 PolarHBondContact O-ND2 2.88Å; I888-A897 HydrophobicContact CG2-CB 3.61Å; I888-Y898 HydrophobicContact CB-CD2 4.42Å; I888-Y898 HydrophobicContact CB-CE2 3.87Å; I888-Y898 HydrophobicContact CD1-CE1 4.44Å; I888-Y898 HydrophobicContact CG2-CD2 3.46Å; I888-Y898 VanDerWaalsContact CG2-CD2 3.46Å; I888-Y898 HydrophobicContact CG2-CE2 3.35Å; I888-Y898 HydrophobicContact CG2-CG 4.19Å
889	G	96.8	Very high	97.3	Very high	9 Å²	9	34.2 Å²	34.2	9%	0.093	17%	0.171	C	C	.	.			trans	87.3	-171.1	-167.9	0	0	0	0	0	112.7	E885 Y898	E885-G889 VanDerWaalsContact O-CA 3.24Å; E885-G889 WeakPolarHBondContact O-CA 3.32Å; E885-G889 PolarHBondContact O-N 3.29Å; G889-Y898 VanDerWaalsContact O-CE2 3.29Å; G889-Y898 WeakPolarHBondContact O-CE2 3.45Å; G889-Y898 PolarHBondContact O-OH 3.03Å
890	L	97.3	Very high	97.3	Very high	22 Å²	22	37.9 Å²	37.9	12%	0.115	19%	0.187	C	C	.	.			trans	-73.7	140.2	-178.2	-72.9	165.3	0	0	0	111.5	L339 E885 K892 D893 N894	L339-L890 HydrophobicContact CD2-CD1 4.36Å; L339-L890 HydrophobicContact CD2-CG 3.98Å; E885-L890 HydrophobicContact CG-CD2 4.04Å; E885-L890 WeakPolarHBondContact OE1-CD2 3.49Å; E885-L890 WeakPolarHBondContact OE2-CD2 3.36Å; L890-K892 HydrophobicContact CB-CG 4.19Å; L890-K892 PolarHBondContact O-N 3.02Å; L890-K892 VanDerWaalsContact O-N 3.14Å; L890-D893 HydrophobicContact CB-CB 4.34Å; L890-D893 WeakPolarHBondContact CB-OD2 3.34Å; L890-D893 WeakPolarHBondContact CD1-OD2 3.48Å; L890-D893 PolarHBondContact O-N 3.18Å; L890-N894 PolarHBondContact O-N 2.98Å
891	P	97.2	Very high	97.3	Very high	29 Å²	29	37.9 Å²	37.9	19%	0.188	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.9	-179.6	-25.1	30.9	0	0	0	114.5	A275 D893 Y898	A275-P891 HydrophobicContact CB-CG 4.02Å; P891-D893 VanDerWaalsContact C-N 3.34Å; P891-Y898 VanDerWaalsContact CA-CE2 3.44Å; P891-Y898 HydrophobicContact CB-CD2 4.35Å; P891-Y898 HydrophobicContact CB-CE1 4.34Å; P891-Y898 HydrophobicContact CB-CE2 4.13Å; P891-Y898 WeakPolarHBondContact CD-OH 3.31Å; P891-Y898 HydrophobicContact CG-CE1 3.88Å; P891-Y898 HydrophobicContact CG-CE2 4.05Å
892	K	96.9	Very high	97.2	Very high	163 Å²	163	38 Å²	38	71%	0.709	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-30.1	178.8	68.1	178.3	-170.1	-177.9	0	113.3	L890	L890-K892 HydrophobicContact CB-CG 4.19Å; L890-K892 PolarHBondContact O-N 3.02Å; L890-K892 VanDerWaalsContact O-N 3.14Å
893	D	96.6	Very high	97.3	Very high	107 Å²	107	38 Å²	38	57%	0.572	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-21	-172.8	-60.6	-39.2	0	0	0	111.3	L890 P891 P895	L890-D893 HydrophobicContact CB-CB 4.34Å; L890-D893 WeakPolarHBondContact CB-OD2 3.34Å; L890-D893 WeakPolarHBondContact CD1-OD2 3.48Å; L890-D893 PolarHBondContact O-N 3.18Å; P891-D893 VanDerWaalsContact C-N 3.34Å; D893-P895 VanDerWaalsContact C-CD 3.49Å
894	N	95.7	Very high	97.3	Very high	33 Å²	33	38.9 Å²	38.9	18%	0.176	19%	0.193	C	C	.	.			trans	-133.6	51.7	-179.6	-159.7	2.1	0	0	0	113.9	N812 I888 L890 D896 A897 Y898	N812-N894 VanDerWaalsContact CB-ND2 3.34Å; N812-N894 WeakPolarHBondContact CB-ND2 3.19Å; N812-N894 PolarHBondContact OD1-ND2 3.01Å; I888-N894 PolarHBondContact O-ND2 2.88Å; L890-N894 PolarHBondContact O-N 2.98Å; N894-D896 VanDerWaalsContact C-N 3.26Å; N894-D896 PolarHBondContact O-N 2.61Å; N894-A897 HydrophobicContact CB-CB 4.44Å; N894-A897 WeakPolarHBondContact ND2-CB 3.36Å; N894-A897 PolarHBondContact O-N 3.21Å; N894-A897 VanDerWaalsContact OD1-CB 3.22Å; N894-A897 WeakPolarHBondContact OD1-CB 3.28Å; N894-Y898 WeakPolarHBondContact O-CD2 3.48Å; N894-Y898 PolarHBondContact O-N 3.24Å
895	P	96.9	Very high	97.2	Very high	79 Å²	79	42.8 Å²	42.8	51%	0.513	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-34.6	-172.9	24.8	-35.2	0	0	0	113.3	D893 Y898 R899	D893-P895 VanDerWaalsContact C-CD 3.49Å; P895-Y898 PolarHBondContact O-N 2.66Å; P895-R899 WeakPolarHBondContact O-CB 3.46Å; P895-R899 PolarHBondContact O-N 3.32Å
896	D	97.5	Very high	97.2	Very high	93 Å²	93	44.9 Å²	44.9	50%	0.497	22%	0.219	S	C	.	.	H	α-helix	trans	-67.8	-37.6	179.3	-80.9	-44.8	0	0	0	113.2	N894 R899 K900	N894-D896 VanDerWaalsContact C-N 3.26Å; N894-D896 PolarHBondContact O-N 2.61Å; D896-R899 PolarHBondContact O-N 2.76Å; D896-R899 IonicContact OD1-NE 2.76Å; D896-R899 IonicContact OD1-NH2 3.43Å; D896-K900 WeakPolarHBondContact O-CB 3.4Å; D896-K900 VanDerWaalsContact O-CG 3.3Å; D896-K900 WeakPolarHBondContact O-CG 3.48Å; D896-K900 PolarHBondContact O-N 2.89Å
897	A	97	Very high	97.2	Very high	6 Å²	6	43.4 Å²	43.4	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-39.9	176.4	0	0	0	0	0	111.6	N812 I888 N894 R899 G901	N812-A897 VanDerWaalsContact O-CB 3.26Å; N812-A897 WeakPolarHBondContact O-CB 3.12Å; I888-A897 HydrophobicContact CG2-CB 3.61Å; N894-A897 HydrophobicContact CB-CB 4.44Å; N894-A897 WeakPolarHBondContact ND2-CB 3.36Å; N894-A897 PolarHBondContact O-N 3.21Å; N894-A897 VanDerWaalsContact OD1-CB 3.22Å; N894-A897 WeakPolarHBondContact OD1-CB 3.28Å; A897-R899 VanDerWaalsContact C-N 3.34Å; A897-G901 PolarHBondContact O-N 2.92Å
898	Y	97.9	Very high	97.1	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-41.9	173.1	-83.3	-94.3	0	0	0	111.8	A275 W876 R877 T884 I888 G889 P891 N894 P895 G901 N902	A275-Y898 HydrophobicContact CB-CE1 4.31Å; W876-Y898 HydrophobicContact CB-CD1 3.91Å; W876-Y898 HydrophobicContact CB-CE1 4.02Å; R877-Y898 HydrophobicContact CG-CD1 3.55Å; R877-Y898 HydrophobicContact CG-CE1 4.12Å; R877-Y898 HydrophobicContact CG-CG 4.36Å; T884-Y898 HydrophobicContact CG2-CE1 3.61Å; T884-Y898 VanDerWaalsContact CG2-OH 3.31Å; T884-Y898 WeakPolarHBondContact CG2-OH 3.49Å; I888-Y898 HydrophobicContact CB-CD2 4.42Å; I888-Y898 HydrophobicContact CB-CE2 3.87Å; I888-Y898 HydrophobicContact CD1-CE1 4.44Å; I888-Y898 HydrophobicContact CG2-CD2 3.46Å; I888-Y898 VanDerWaalsContact CG2-CD2 3.46Å; I888-Y898 HydrophobicContact CG2-CE2 3.35Å; I888-Y898 HydrophobicContact CG2-CG 4.19Å; G889-Y898 VanDerWaalsContact O-CE2 3.29Å; G889-Y898 WeakPolarHBondContact O-CE2 3.45Å; G889-Y898 PolarHBondContact O-OH 3.03Å; P891-Y898 VanDerWaalsContact CA-CE2 3.44Å; P891-Y898 HydrophobicContact CB-CD2 4.35Å; P891-Y898 HydrophobicContact CB-CE1 4.34Å; P891-Y898 HydrophobicContact CB-CE2 4.13Å; P891-Y898 WeakPolarHBondContact CD-OH 3.31Å; P891-Y898 HydrophobicContact CG-CE1 3.88Å; P891-Y898 HydrophobicContact CG-CE2 4.05Å; N894-Y898 WeakPolarHBondContact O-CD2 3.48Å; N894-Y898 PolarHBondContact O-N 3.24Å; P895-Y898 PolarHBondContact O-N 2.66Å; Y898-G901 PolarHBondContact O-N 3.19Å; Y898-N902 WeakPolarHBondContact O-CB 3.3Å; Y898-N902 PolarHBondContact O-N 3.31Å
899	R	97.7	Very high	96.9	Very high	106 Å²	106	50.4 Å²	50.4	40%	0.4	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-53.2	177.1	-171.1	-175.6	62.6	74.8	1.2	111.3	P895 D896 A897 G901 N902 E905	P895-R899 WeakPolarHBondContact O-CB 3.46Å; P895-R899 PolarHBondContact O-N 3.32Å; D896-R899 PolarHBondContact O-N 2.76Å; D896-R899 IonicContact OD1-NE 2.76Å; D896-R899 IonicContact OD1-NH2 3.43Å; A897-R899 VanDerWaalsContact C-N 3.34Å; R899-G901 PolarHBondContact O-N 2.91Å; R899-N902 VanDerWaalsContact O-CB 3.3Å; R899-N902 WeakPolarHBondContact O-CB 3.47Å; R899-N902 PolarHBondContact O-N 2.83Å; R899-E905 VanDerWaalsContact CG-CD 3.45Å; R899-E905 HydrophobicContact CG-CG 3.87Å; R899-E905 VanDerWaalsContact CG-OE2 3.31Å; R899-E905 WeakPolarHBondContact CG-OE2 3.37Å; R899-E905 IonicContact NH1-OE2 3.65Å; R899-E905 PolarHBondContact NH1-OE2 3.23Å; R899-E905 VanDerWaalsContact O-CG 3.3Å; R899-E905 WeakPolarHBondContact O-CG 3.37Å
900	K	97.1	Very high	96.9	Very high	86 Å²	86	50 Å²	50	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-26.5	178.7	-69.7	176.3	-177.7	-179.3	0	113.4	Q816 D896 N902 Y906	Q816-K900 HydrophobicContact CG-CB 4.19Å; D896-K900 WeakPolarHBondContact O-CB 3.4Å; D896-K900 VanDerWaalsContact O-CG 3.3Å; D896-K900 WeakPolarHBondContact O-CG 3.48Å; D896-K900 PolarHBondContact O-N 2.89Å; K900-N902 VanDerWaalsContact C-N 3.35Å; K900-Y906 WeakPolarHBondContact CA-OH 3.46Å; K900-Y906 WeakPolarHBondContact O-CE2 3.38Å; K900-Y906 PolarHBondContact O-OH 2.75Å
901	G	96.6	Very high	96.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.5	173.8	0	0	0	0	0	114.3	Y851 A897 Y898 R899	Y851-G901 VanDerWaalsContact CE2-O 3.27Å; Y851-G901 WeakPolarHBondContact CE2-O 3.42Å; Y851-G901 WeakPolarHBondContact OH-CA 3.47Å; Y851-G901 PolarHBondContact OH-O 2.87Å; A897-G901 PolarHBondContact O-N 2.92Å; Y898-G901 PolarHBondContact O-N 3.19Å; R899-G901 PolarHBondContact O-N 2.91Å
902	N	97.8	Very high	96.4	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.289	C	S	.	.			trans	-91.2	120.3	-174.9	-169.7	-26.5	0	0	0	111.2	V874 D875 R877 Y898 R899 K900 M904 E905	V874-N902 PolarHBondContact O-OD1 3.18Å; D875-N902 PolarHBondContact OD1-ND2 2.83Å; D875-N902 PolarHBondContact OD2-ND2 2.81Å; R877-N902 PolarHBondContact NH2-ND2 2.78Å; Y898-N902 WeakPolarHBondContact O-CB 3.3Å; Y898-N902 PolarHBondContact O-N 3.31Å; R899-N902 VanDerWaalsContact O-CB 3.3Å; R899-N902 WeakPolarHBondContact O-CB 3.47Å; R899-N902 PolarHBondContact O-N 2.83Å; K900-N902 VanDerWaalsContact C-N 3.35Å; N902-M904 PolarHBondContact O-N 2.85Å; N902-M904 VanDerWaalsContact O-N 3.13Å; N902-M904 WeakPolarHBondContact OD1-CB 3.32Å; N902-M904 WeakPolarHBondContact OD1-CG 3.42Å; N902-M904 PolarHBondContact OD1-N 2.96Å; N902-E905 HydrophobicContact CB-CG 4.28Å; N902-E905 PolarHBondContact O-N 2.68Å
903	I	98.1	Very high	96.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56.6	-33.3	179.4	-58.9	-57.8	0	0	0	111.7	Y851 L854 M855 M858 V874 E905 Y906 V907 L936	Y851-I903 HydrophobicContact CD2-CD1 3.68Å; Y851-I903 HydrophobicContact CD2-CG1 3.98Å; Y851-I903 HydrophobicContact CE2-CD1 3.57Å; Y851-I903 HydrophobicContact CE2-CG1 4Å; L854-I903 HydrophobicContact CB-CD1 3.67Å; L854-I903 HydrophobicContact CB-CG1 4.05Å; L854-I903 HydrophobicContact CB-CG2 4.25Å; L854-I903 HydrophobicContact CD1-CG1 3.99Å; L854-I903 HydrophobicContact CD1-CG2 4.3Å; M855-I903 HydrophobicContact CB-CD1 4.49Å; M855-I903 HydrophobicContact CG-CD1 3.58Å; M855-I903 HydrophobicContact SD-CD1 3.4Å; M855-I903 WeakPolarHBondContact SD-CD1 3.39Å; M858-I903 HydrophobicContact CE-CG2 4.16Å; M858-I903 HydrophobicContact CG-CG2 4.43Å; V874-I903 HydrophobicContact CG1-CB 4.06Å; V874-I903 HydrophobicContact CG1-CG1 4.49Å; V874-I903 PolarHBondContact O-N 3.35Å; I903-E905 PolarHBondContact O-N 3.48Å; I903-E905 VanDerWaalsContact O-N 3.12Å; I903-Y906 PolarHBondContact O-N 2.79Å; I903-V907 HydrophobicContact CG2-CG2 4.38Å; I903-V907 WeakPolarHBondContact O-CG2 3.37Å; I903-V907 PolarHBondContact O-N 3.49Å; I903-L936 HydrophobicContact CG2-CD1 3.84Å
904	M	97.1	Very high	96	Very high	33 Å²	33	51.9 Å²	51.9	16%	0.163	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26.9	-176	-61.3	-59.7	-167.8	0	0	114	V874 N902 Y906 S935 L936 R939	V874-M904 HydrophobicContact CG1-CE 3.63Å; V874-M904 HydrophobicContact CG1-CG 4.32Å; V874-M904 HydrophobicContact CG1-SD 4.15Å; N902-M904 PolarHBondContact O-N 2.85Å; N902-M904 VanDerWaalsContact O-N 3.13Å; N902-M904 WeakPolarHBondContact OD1-CB 3.32Å; N902-M904 WeakPolarHBondContact OD1-CG 3.42Å; N902-M904 PolarHBondContact OD1-N 2.96Å; M904-Y906 PolarHBondContact O-N 2.86Å; M904-S935 VanDerWaalsContact CE-CB 3.47Å; M904-S935 VanDerWaalsContact CE-O 3.29Å; M904-S935 WeakPolarHBondContact CE-O 3.42Å; M904-L936 HydrophobicContact CE-CB 4.38Å; M904-L936 HydrophobicContact SD-CD1 4.41Å; M904-R939 HydrophobicContact SD-CB 3.58Å; M904-R939 VanDerWaalsContact SD-CB 3.58Å; M904-R939 HydrophobicContact SD-CG 3.79Å
905	E	96.9	Very high	95.8	Very high	83 Å²	83	54 Å²	54	39%	0.388	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.7	-28.2	178.6	-64.2	-69.5	119.6	0	0	112	R899 N902 I903	R899-E905 VanDerWaalsContact CG-CD 3.45Å; R899-E905 HydrophobicContact CG-CG 3.87Å; R899-E905 VanDerWaalsContact CG-OE2 3.31Å; R899-E905 WeakPolarHBondContact CG-OE2 3.37Å; R899-E905 IonicContact NH1-OE2 3.65Å; R899-E905 PolarHBondContact NH1-OE2 3.23Å; R899-E905 VanDerWaalsContact O-CG 3.3Å; R899-E905 WeakPolarHBondContact O-CG 3.37Å; N902-E905 HydrophobicContact CB-CG 4.28Å; N902-E905 PolarHBondContact O-N 2.68Å; I903-E905 PolarHBondContact O-N 3.48Å; I903-E905 VanDerWaalsContact O-N 3.12Å
906	Y	97.3	Very high	95.8	Very high	43 Å²	43	50.3 Å²	50.3	17%	0.169	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-3.5	-169.3	-49.9	-68.6	0	0	0	113.7	M855 L859 K900 I903 M904 S908 D909	M855-Y906 HydrophobicContact CE-CE2 4.03Å; M855-Y906 HydrophobicContact SD-CD2 4.16Å; M855-Y906 HydrophobicContact SD-CE2 4.18Å; L859-Y906 HydrophobicContact CD2-CD1 3.76Å; L859-Y906 HydrophobicContact CD2-CE1 4.17Å; L859-Y906 HydrophobicContact CD2-CG 4.05Å; K900-Y906 WeakPolarHBondContact CA-OH 3.46Å; K900-Y906 WeakPolarHBondContact O-CE2 3.38Å; K900-Y906 PolarHBondContact O-OH 2.75Å; I903-Y906 PolarHBondContact O-N 2.79Å; M904-Y906 PolarHBondContact O-N 2.86Å; Y906-S908 PolarHBondContact O-N 2.99Å; Y906-D909 PolarHBondContact O-N 3.48Å
907	V	97.7	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59	-33.6	-176.5	175	0	0	0	0	112.6	I903 D909 M910 L936 R939 L940 C943 K945	I903-V907 HydrophobicContact CG2-CG2 4.38Å; I903-V907 WeakPolarHBondContact O-CG2 3.37Å; I903-V907 PolarHBondContact O-N 3.49Å; V907-D909 PolarHBondContact O-N 3.07Å; V907-M910 PolarHBondContact O-N 2.96Å; V907-L936 HydrophobicContact CG2-CD1 3.79Å; V907-R939 HydrophobicContact CB-CG 3.86Å; V907-R939 HydrophobicContact CG1-CG 3.89Å; V907-R939 HydrophobicContact CG2-CG 3.85Å; V907-L940 HydrophobicContact CG1-CD2 3.71Å; V907-L940 HydrophobicContact CG1-CG 4.11Å; V907-C943 HydrophobicContact CG1-CB 4.19Å; V907-K945 HydrophobicContact CG1-CG 4.31Å; V907-K945 VanDerWaalsContact O-CE 3.32Å; V907-K945 WeakPolarHBondContact O-CE 3.45Å; V907-K945 WeakPolarHBondContact O-CG 3.38Å
908	S	96	Very high	95.9	Very high	57 Å²	57	46.3 Å²	46.3	40%	0.399	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.5	-25.1	177.5	49.1	0	0	0	0	113.4	Y906 K945	Y906-S908 PolarHBondContact O-N 2.99Å; S908-K945 WeakPolarHBondContact O-CE 3.46Å; S908-K945 PolarHBondContact O-NZ 3.17Å
909	D	93.7	Very high	95.9	Very high	99 Å²	99	46 Å²	46	53%	0.529	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-92.9	-12.9	-171	-53.2	-22.1	0	0	0	111.7	Q861 Y906 V907	Q861-D909 PolarHBondContact NE2-O 2.98Å; Y906-D909 PolarHBondContact O-N 3.48Å; V907-D909 PolarHBondContact O-N 3.07Å
910	M	96.1	Very high	96	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	-56.9	140.9	175.6	-158.8	-172.8	83.3	0	0	112.3	M858 V907 L917 L940 K945 P946	M858-M910 HydrophobicContact CE-CG 4.25Å; M858-M910 HydrophobicContact CE-SD 3.74Å; M858-M910 HydrophobicContact SD-CB 3.63Å; M858-M910 HydrophobicContact SD-CG 3.77Å; M858-M910 HydrophobicContact SD-SD 4.04Å; V907-M910 PolarHBondContact O-N 2.96Å; M910-L917 HydrophobicContact SD-CB 4.24Å; M910-L917 HydrophobicContact SD-CD2 3.68Å; M910-L940 HydrophobicContact CE-CD2 4Å; M910-L940 HydrophobicContact SD-CD2 3.88Å; M910-K945 HydrophobicContact CB-CD 4.33Å; M910-K945 HydrophobicContact CE-CB 3.71Å; M910-K945 HydrophobicContact CE-CD 4.49Å; M910-K945 HydrophobicContact CE-CG 4.38Å; M910-K945 WeakPolarHBondContact O-CD 3.38Å; M910-K945 WeakPolarHBondContact O-CE 3.2Å; M910-K945 PolarHBondContact O-NZ 2.84Å; M910-P946 WeakPolarHBondContact CE-O 3.4Å
911	L	91.7	Very high	96	Very high	86 Å²	86	36.9 Å²	36.9	45%	0.45	19%	0.191	S	C	.	.			trans	-61.7	138.8	176.8	-84.1	171.7	0	0	0	108.9	Q861 D913	Q861-L911 HydrophobicContact CB-CD1 3.82Å; Q861-L911 HydrophobicContact CB-CG 4.21Å; L911-D913 PolarHBondContact O-N 3.11Å
912	S	92	Very high	95.9	Very high	89 Å²	89	36.9 Å²	36.9	62%	0.622	19%	0.191	S	C	*	.			trans	-83.4	39	174	-60	0	0	0	0	111.9
913	D	92.8	Very high	95.6	Very high	73 Å²	73	37.4 Å²	37.4	39%	0.39	20%	0.197	S	C	.	.			trans	-90	126.2	171.5	-179.1	-11	0	0	0	109.2	L911 Y915 H916 P946	L911-D913 PolarHBondContact O-N 3.11Å; D913-Y915 PolarHBondContact O-N 3.46Å; D913-Y915 VanDerWaalsContact O-N 3.11Å; D913-Y915 PolarHBondContact OD1-N 3.09Å; D913-H916 HydrophobicContact CB-CB 4.17Å; D913-H916 WeakPolarHBondContact O-CB 3.4Å; D913-H916 PolarHBondContact O-N 2.85Å; D913-P946 WeakPolarHBondContact O-CG 3.48Å
914	K	92.1	Very high	95.2	Very high	112 Å²	112	37.5 Å²	37.5	49%	0.487	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-35.3	179.9	-177.9	-175	171.6	-158.1	0	112.7	H948	K914-H948 PolarHBondContact O-CD2 3.48Å; K914-H948 VanDerWaalsContact O-CD2 3.27Å; K914-H948 PolarHBondContact O-NE2 2.81Å
915	Y	92.8	Very high	95	Very high	77 Å²	77	36 Å²	36	30%	0.302	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	10.9	-171.4	-64	-71.9	0	0	0	114.2	D913 H948 F972 T976	D913-Y915 PolarHBondContact O-N 3.46Å; D913-Y915 VanDerWaalsContact O-N 3.11Å; D913-Y915 PolarHBondContact OD1-N 3.09Å; Y915-H948 AromaticContact CD1-NE2 3.97Å; Y915-F972 HydrophobicContact CD1-CD2 4.44Å; Y915-F972 AromaticContact CD1-CE2 3.8Å; Y915-F972 HydrophobicContact CD1-CE2 3.8Å; Y915-F972 WeakPolarHBondContact O-CZ 3.21Å; Y915-T976 VanDerWaalsContact CB-CG2 3.48Å; Y915-T976 HydrophobicContact CD1-CG2 3.91Å; Y915-T976 HydrophobicContact CG-CG2 3.86Å
916	H	96.1	Very high	94.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	17%	0.172	C	C	.	.	S	Bend	trans	-74.7	-36.8	-174.7	-170.9	57.1	0	0	0	113.6	A857 Y864 K865 V866 A867 D913	A857-H916 WeakPolarHBondContact CA-NE2 3.49Å; A857-H916 PolarHBondContact O-NE2 3.25Å; Y864-H916 PolarHBondContact O-CE1 3.01Å; K865-H916 PolarHBondContact O-ND1 2.92Å; K865-H916 VanDerWaalsContact O-ND1 3.08Å; V866-H916 CarbonylContact C-O 3.47Å; V866-H916 WeakPolarHBondContact CA-O 3.26Å; A867-H916 PolarHBondContact N-O 3.08Å; D913-H916 HydrophobicContact CB-CB 4.17Å; D913-H916 WeakPolarHBondContact O-CB 3.4Å; D913-H916 PolarHBondContact O-N 2.85Å
917	L	98.2	Very high	94.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.3	-170.8	178.2	61.3	0	0	0	112.8	L854 A857 M858 A867 M910 I919 L940 H947 H948	L854-L917 HydrophobicContact CD2-CD1 3.76Å; L854-L917 HydrophobicContact CD2-CD2 4.39Å; A857-L917 HydrophobicContact CB-CD1 4.17Å; M858-L917 HydrophobicContact CE-CD2 4.26Å; A867-L917 HydrophobicContact CB-CD1 4.36Å; M910-L917 HydrophobicContact SD-CB 4.24Å; M910-L917 HydrophobicContact SD-CD2 3.68Å; L917-I919 HydrophobicContact CD1-CG1 4.13Å; L917-I919 HydrophobicContact CD2-CD1 4.06Å; L917-I919 HydrophobicContact CD2-CG1 4.3Å; L917-I919 HydrophobicContact CG-CD1 4.36Å; L917-I919 HydrophobicContact CG-CG1 4.1Å; L917-L940 HydrophobicContact CD2-CD1 4.14Å; L917-L940 HydrophobicContact CD2-CD2 4.34Å; L917-H947 HydrophobicContact CD2-CB 4.38Å; L917-H948 PolarHBondContact O-N 2.92Å
918	F	98.4	Very high	94.4	Very high	15 Å²	15	30.3 Å²	30.3	7%	0.066	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.1	169.4	-154.1	152.6	0	0	0	110.8	A867 I868 A869 F920 H948 Q950 T968 F972	A867-F918 PolarHBondContact O-N 2.7Å; I868-F918 CarbonylContact C-O 3.57Å; I868-F918 WeakPolarHBondContact CA-O 3.34Å; A869-F918 PolarHBondContact N-O 3.34Å; F918-F920 HydrophobicContact CB-CE2 4.08Å; F918-F920 AromaticContact CD1-CE2 3.98Å; F918-F920 HydrophobicContact CD1-CE2 3.98Å; F918-F920 AromaticContact CD1-CZ 3.92Å; F918-F920 HydrophobicContact CD1-CZ 3.92Å; F918-F920 AromaticContact CD2-CD2 3.96Å; F918-F920 HydrophobicContact CD2-CD2 3.96Å; F918-F920 HydrophobicContact CD2-CE1 4.41Å; F918-F920 AromaticContact CD2-CE2 3.38Å; F918-F920 HydrophobicContact CD2-CE2 3.38Å; F918-F920 AromaticContact CD2-CZ 3.66Å; F918-F920 HydrophobicContact CD2-CZ 3.66Å; F918-F920 HydrophobicContact CE1-CE2 4.32Å; F918-F920 AromaticContact CE1-CZ 3.81Å; F918-F920 HydrophobicContact CE1-CZ 3.81Å; F918-F920 HydrophobicContact CE2-CD1 4.5Å; F918-F920 HydrophobicContact CE2-CD2 4.38Å; F918-F920 AromaticContact CE2-CE1 3.95Å; F918-F920 HydrophobicContact CE2-CE1 3.95Å; F918-F920 AromaticContact CE2-CE2 3.76Å; F918-F920 HydrophobicContact CE2-CE2 3.76Å; F918-F920 AromaticContact CE2-CZ 3.54Å; F918-F920 HydrophobicContact CE2-CZ 3.54Å; F918-F920 HydrophobicContact CG-CD2 4.41Å; F918-F920 AromaticContact CG-CE2 3.52Å; F918-F920 HydrophobicContact CG-CE2 3.52Å; F918-F920 AromaticContact CG-CZ 3.88Å; F918-F920 HydrophobicContact CG-CZ 3.88Å; F918-F920 HydrophobicContact CZ-CE1 4.09Å; F918-F920 HydrophobicContact CZ-CE2 4.23Å; F918-F920 AromaticContact CZ-CZ 3.63Å; F918-F920 HydrophobicContact CZ-CZ 3.63Å; F918-H948 WeakPolarHBondContact CA-O 3.39Å; F918-H948 HydrophobicContact CB-CB 4.11Å; F918-H948 HydrophobicContact CD1-CB 3.86Å; F918-H948 HydrophobicContact CD2-CB 3.52Å; F918-H948 WeakPolarHBondContact CD2-O 3.19Å; F918-H948 HydrophobicContact CE1-CB 4.1Å; F918-H948 HydrophobicContact CE2-CB 3.78Å; F918-H948 HydrophobicContact CG-CB 3.56Å; F918-H948 HydrophobicContact CZ-CB 4.06Å; F918-Q950 HydrophobicContact CE2-CB 3.88Å; F918-Q950 HydrophobicContact CZ-CB 4.4Å; F918-T968 HydrophobicContact CE1-CG2 3.55Å; F918-T968 HydrophobicContact CZ-CG2 3.43Å; F918-T968 VanDerWaalsContact CZ-CG2 3.43Å; F918-F972 HydrophobicContact CB-CD1 4.26Å; F918-F972 HydrophobicContact CB-CE1 3.83Å; F918-F972 HydrophobicContact CB-CZ 4.08Å; F918-F972 HydrophobicContact CD1-CB 4.03Å; F918-F972 AromaticContact CD1-CD1 3.81Å; F918-F972 HydrophobicContact CD1-CD1 3.81Å; F918-F972 AromaticContact CD1-CD2 3.7Å; F918-F972 HydrophobicContact CD1-CD2 3.7Å; F918-F972 HydrophobicContact CD1-CE1 4.05Å; F918-F972 AromaticContact CD1-CE2 3.98Å; F918-F972 HydrophobicContact CD1-CE2 3.98Å; F918-F972 AromaticContact CD1-CG 3.6Å; F918-F972 HydrophobicContact CD1-CG 3.6Å; F918-F972 HydrophobicContact CD1-CZ 4.14Å; F918-F972 HydrophobicContact CE1-CB 4.23Å; F918-F972 HydrophobicContact CE1-CD2 4.11Å; F918-F972 HydrophobicContact CE1-CG 4.17Å; F918-F972 HydrophobicContact CG-CE1 4.47Å
919	I	98.7	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.2	177.5	-55.3	160.2	0	0	0	110.9	L854 A869 P872 L917 T933 L936 L940 H948 F949 Q950	L854-I919 HydrophobicContact CD2-CG1 4.36Å; A869-I919 CarbonylContact O-C 3.51Å; A869-I919 WeakPolarHBondContact O-CA 3.43Å; P872-I919 HydrophobicContact CG-CG2 4.46Å; L917-I919 HydrophobicContact CD1-CG1 4.13Å; L917-I919 HydrophobicContact CD2-CD1 4.06Å; L917-I919 HydrophobicContact CD2-CG1 4.3Å; L917-I919 HydrophobicContact CG-CD1 4.36Å; L917-I919 HydrophobicContact CG-CG1 4.1Å; I919-T933 HydrophobicContact CG2-CG2 3.7Å; I919-L936 HydrophobicContact CD1-CD2 3.72Å; I919-L936 HydrophobicContact CD1-CG 4.34Å; I919-L940 HydrophobicContact CD1-CD1 3.98Å; I919-H948 PolarHBondContact N-O 3.43Å; I919-F949 HydrophobicContact CB-CD2 4.12Å; I919-F949 HydrophobicContact CG2-CD2 4.11Å; I919-F949 HydrophobicContact CG2-CE2 4.46Å; I919-F949 CarbonylContact O-C 3.46Å; I919-F949 VanDerWaalsContact O-CA 3.3Å; I919-F949 WeakPolarHBondContact O-CA 3.48Å; I919-F949 WeakPolarHBondContact O-CD2 3.43Å; I919-Q950 PolarHBondContact O-N 2.86Å
920	F	98.6	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.6	171.8	-61.1	-104	0	0	0	109.5	I868 A869 I870 S871 F918 Q950 Y952 L959 V965 T968 V969	I868-F920 HydrophobicContact CG2-CD2 4.09Å; I868-F920 HydrophobicContact CG2-CE2 3.77Å; A869-F920 PolarHBondContact O-N 2.96Å; I870-F920 HydrophobicContact CB-CB 4.36Å; I870-F920 HydrophobicContact CG1-CB 4.09Å; I870-F920 HydrophobicContact CG1-CD2 3.98Å; I870-F920 HydrophobicContact CG1-CG 4.28Å; I870-F920 HydrophobicContact CG2-CB 4.04Å; S871-F920 PolarHBondContact N-O 2.99Å; F918-F920 HydrophobicContact CB-CE2 4.08Å; F918-F920 AromaticContact CD1-CE2 3.98Å; F918-F920 HydrophobicContact CD1-CE2 3.98Å; F918-F920 AromaticContact CD1-CZ 3.92Å; F918-F920 HydrophobicContact CD1-CZ 3.92Å; F918-F920 AromaticContact CD2-CD2 3.96Å; F918-F920 HydrophobicContact CD2-CD2 3.96Å; F918-F920 HydrophobicContact CD2-CE1 4.41Å; F918-F920 AromaticContact CD2-CE2 3.38Å; F918-F920 HydrophobicContact CD2-CE2 3.38Å; F918-F920 AromaticContact CD2-CZ 3.66Å; F918-F920 HydrophobicContact CD2-CZ 3.66Å; F918-F920 HydrophobicContact CE1-CE2 4.32Å; F918-F920 AromaticContact CE1-CZ 3.81Å; F918-F920 HydrophobicContact CE1-CZ 3.81Å; F918-F920 HydrophobicContact CE2-CD1 4.5Å; F918-F920 HydrophobicContact CE2-CD2 4.38Å; F918-F920 AromaticContact CE2-CE1 3.95Å; F918-F920 HydrophobicContact CE2-CE1 3.95Å; F918-F920 AromaticContact CE2-CE2 3.76Å; F918-F920 HydrophobicContact CE2-CE2 3.76Å; F918-F920 AromaticContact CE2-CZ 3.54Å; F918-F920 HydrophobicContact CE2-CZ 3.54Å; F918-F920 HydrophobicContact CG-CD2 4.41Å; F918-F920 AromaticContact CG-CE2 3.52Å; F918-F920 HydrophobicContact CG-CE2 3.52Å; F918-F920 AromaticContact CG-CZ 3.88Å; F918-F920 HydrophobicContact CG-CZ 3.88Å; F918-F920 HydrophobicContact CZ-CE1 4.09Å; F918-F920 HydrophobicContact CZ-CE2 4.23Å; F918-F920 AromaticContact CZ-CZ 3.63Å; F918-F920 HydrophobicContact CZ-CZ 3.63Å; F920-Q950 WeakPolarHBondContact CA-O 3.49Å; F920-Q950 HydrophobicContact CD1-CB 3.5Å; F920-Q950 HydrophobicContact CD1-CG 3.86Å; F920-Q950 HydrophobicContact CE1-CB 3.74Å; F920-Q950 HydrophobicContact CE1-CG 4.05Å; F920-Q950 HydrophobicContact CG-CB 4.3Å; F920-Y952 HydrophobicContact CB-CE2 4.42Å; F920-Y952 AromaticContact CD1-CE2 3.82Å; F920-Y952 HydrophobicContact CD1-CE2 3.82Å; F920-L959 HydrophobicContact CB-CD1 4.47Å; F920-V965 HydrophobicContact CD1-CG1 4.32Å; F920-V965 HydrophobicContact CE1-CG1 4.44Å; F920-T968 HydrophobicContact CE1-CG2 3.78Å; F920-T968 HydrophobicContact CZ-CG2 3.79Å; F920-V969 HydrophobicContact CE2-CG2 4.08Å; F920-V969 HydrophobicContact CZ-CG2 3.9Å
921	H	98	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149	176.8	-139.4	109.2	0	0	0	112.8	D925 V928 F930 T933 F949 Q950 Y952	H921-D925 IonicContact CD2-OD2 2.77Å; H921-D925 IonicContact NE2-OD2 3.12Å; H921-V928 PolarHBondContact NE2-O 2.89Å; H921-F930 HydrophobicContact CB-CD2 3.9Å; H921-F930 HydrophobicContact CB-CE2 4.11Å; H921-F930 AromaticContact CG-CD2 3.93Å; H921-T933 HydrophobicContact CB-CG2 4.34Å; H921-T933 PolarHBondContact CE1-OG1 3.13Å; H921-T933 WeakPolarHBondContact ND1-CB 3.39Å; H921-T933 PolarHBondContact ND1-OG1 3.29Å; H921-F949 HydrophobicContact CB-CE2 4.24Å; H921-Q950 PolarHBondContact N-O 3.5Å; H921-Q950 VanDerWaalsContact N-O 3.14Å; H921-Y952 PolarHBondContact O-N 2.88Å
922	G	94.3	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.2	168.6	0	0	0	0	0	111.9	Q924 D925 S955	G922-Q924 PolarHBondContact O-N 3.35Å; G922-D925 PolarHBondContact O-N 2.81Å; G922-S955 CarbonylContact C-O 3.6Å; G922-S955 VanDerWaalsContact C-O 3.26Å; G922-S955 VanDerWaalsContact CA-O 3.26Å; G922-S955 WeakPolarHBondContact CA-O 3.35Å
923	G	91.6	Very high	95	Very high	15 Å²	15	22 Å²	22	16%	0.155	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.1	-178.7	0	0	0	0	0	114.9	Y952 S955	G923-Y952 PolarHBondContact N-O 3.06Å; G923-S955 PolarHBondContact N-O 3.02Å
924	Q	89.4	Confident	95.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	10.7	-178.2	-51	-178.1	-12.8	0	0	112.4	F259 G922 E926 P953 N954 S955 R956	F259-Q924 WeakPolarHBondContact O-CG 3.24Å; G922-Q924 PolarHBondContact O-N 3.35Å; Q924-E926 PolarHBondContact O-N 3.09Å; Q924-P953 VanDerWaalsContact CG-O 3.28Å; Q924-P953 WeakPolarHBondContact CG-O 3.13Å; Q924-P953 PolarHBondContact NE2-O 2.91Å; Q924-N954 PolarHBondContact NE2-OD1 3.44Å; Q924-S955 PolarHBondContact N-O 2.98Å; Q924-R956 HydrophobicContact CB-CG 3.8Å; Q924-R956 WeakPolarHBondContact O-CG 3.34Å
925	D	92.3	Very high	95.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.09	C	C	.	.			trans	-56.1	110.3	-175.8	-166.8	-19.5	0	0	0	111	H921 G922 N927 V928 H929 H957	H921-D925 IonicContact CD2-OD2 2.77Å; H921-D925 IonicContact NE2-OD2 3.12Å; G922-D925 PolarHBondContact O-N 2.81Å; D925-N927 PolarHBondContact OD1-N 2.95Å; D925-V928 WeakPolarHBondContact CB-O 3.12Å; D925-V928 PolarHBondContact OD1-N 3.18Å; D925-H929 WeakPolarHBondContact O-CA 2.89Å; D925-H929 PolarHBondContact O-CD2 2.83Å; D925-H957 VanDerWaalsContact CG-CA 3.49Å; D925-H957 WeakPolarHBondContact OD1-CB 3.36Å; D925-H957 IonicContact OD1-CG 3.79Å; D925-H957 IonicContact OD1-ND1 3.77Å; D925-H957 PolarHBondContact OD1-ND1 2.77Å; D925-H957 WeakPolarHBondContact OD2-CA 3.37Å; D925-H957 IonicContact OD2-CE1 3.3Å; D925-H957 IonicContact OD2-CG 2.89Å; D925-H957 IonicContact OD2-ND1 2.69Å; D925-H957 PolarHBondContact OD2-ND1 3.37Å
926	E	91	Very high	95.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.8	-179.4	76.7	-71.6	173.6	0	0	113.9	L110 L258 Q270 Q924 R956	L110-E926 HydrophobicContact CD2-CG 4.19Å; L258-E926 HydrophobicContact CD1-CB 3.38Å; Q270-E926 PolarHBondContact NE2-O 2.89Å; Q270-E926 PolarHBondContact OE1-O 3.04Å; Q924-E926 PolarHBondContact O-N 3.09Å; E926-R956 VanDerWaalsContact CD-NH1 3.32Å; E926-R956 VanDerWaalsContact OE2-CB 3.23Å; E926-R956 WeakPolarHBondContact OE2-CB 3.5Å; E926-R956 WeakPolarHBondContact OE2-CD 3.36Å; E926-R956 WeakPolarHBondContact OE2-CG 3.26Å; E926-R956 IonicContact OE2-CZ 3.86Å; E926-R956 IonicContact OE2-NE 2.94Å; E926-R956 IonicContact OE2-NH1 3.66Å; E926-R956 PolarHBondContact OE2-NH1 3.25Å
927	N	92.9	Very high	95.9	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.021	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-65.7	178.9	-171	20.4	0	0	0	109.7	E221 Y272 Y879 D925 H929 H957	E221-N927 PolarHBondContact OE1-ND2 3.46Å; Y272-N927 PolarHBondContact OH-O 2.86Å; Y879-N927 WeakPolarHBondContact CE2-O 3.31Å; Y879-N927 PolarHBondContact OH-ND2 2.86Å; Y879-N927 PolarHBondContact OH-OD1 3.49Å; D925-N927 PolarHBondContact OD1-N 2.95Å; N927-H929 PolarHBondContact O-N 2.83Å; N927-H957 HydrophobicContact CB-CB 4.2Å
928	V	95.9	Very high	95.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	83.4	171.7	-176.7	0	0	0	0	107.4	P872 V873 Y879 H921 D925 F930 H932 H957	P872-V928 VanDerWaalsContact O-CG1 3.28Å; P872-V928 WeakPolarHBondContact O-CG1 3.25Å; V873-V928 HydrophobicContact CG2-CG1 4.13Å; V873-V928 HydrophobicContact CG2-CG2 3.91Å; Y879-V928 HydrophobicContact CD2-CG2 4.37Å; Y879-V928 HydrophobicContact CE2-CB 4.4Å; Y879-V928 HydrophobicContact CE2-CG2 3.55Å; H921-V928 PolarHBondContact NE2-O 2.89Å; D925-V928 WeakPolarHBondContact CB-O 3.12Å; D925-V928 PolarHBondContact OD1-N 3.18Å; V928-F930 PolarHBondContact O-N 2.94Å; V928-H932 HydrophobicContact CG1-CB 4.44Å; V928-H957 WeakPolarHBondContact CG2-CE1 3.44Å
929	H	95.3	Very high	95.9	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.056	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	139.2	-176.2	-64.3	140.7	0	0	0	113.1	L258 Q270 Y272 D925 N927 L931 H932	L258-H929 VanDerWaalsContact CD2-CD2 3.49Å; L258-H929 WeakPolarHBondContact CD2-CD2 3.49Å; Q270-H929 PolarHBondContact OE1-NE2 3.41Å; Y272-H929 AromaticContact CD1-CE1 3.67Å; Y272-H929 AromaticContact CD2-CE1 3.45Å; Y272-H929 VanDerWaalsContact CD2-CE1 3.45Å; Y272-H929 WeakPolarHBondContact CD2-CE1 3.33Å; Y272-H929 AromaticContact CD2-NE2 3.73Å; Y272-H929 AromaticContact CE1-CE1 3.88Å; Y272-H929 AromaticContact CE2-CE1 3.67Å; Y272-H929 AromaticContact CE2-NE2 3.98Å; Y272-H929 AromaticContact CG-CE1 3.45Å; Y272-H929 VanDerWaalsContact CG-CE1 3.45Å; Y272-H929 AromaticContact CZ-CE1 3.88Å; D925-H929 WeakPolarHBondContact O-CA 2.89Å; D925-H929 PolarHBondContact O-CD2 2.83Å; N927-H929 PolarHBondContact O-N 2.83Å; H929-L931 HydrophobicContact CB-CB 4.27Å; H929-L931 PolarHBondContact O-N 2.81Å; H929-H932 PolarHBondContact O-CD2 2.8Å; H929-H932 VanDerWaalsContact O-CD2 3.27Å; H929-H932 PolarHBondContact O-N 2.91Å
930	F	95.3	Very high	95.8	Very high	59 Å²	59	24.7 Å²	24.7	26%	0.259	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.4	177.5	-178.1	-117.6	0	0	0	113.5	H921 V928 H932 T933 S934 F949 L951	H921-F930 HydrophobicContact CB-CD2 3.9Å; H921-F930 HydrophobicContact CB-CE2 4.11Å; H921-F930 AromaticContact CG-CD2 3.93Å; V928-F930 PolarHBondContact O-N 2.94Å; F930-H932 PolarHBondContact O-N 2.83Å; F930-T933 HydrophobicContact CD2-CG2 4.46Å; F930-T933 HydrophobicContact CE2-CG2 3.81Å; F930-T933 PolarHBondContact O-N 2.88Å; F930-T933 VanDerWaalsContact O-N 3.09Å; F930-S934 PolarHBondContact O-N 2.79Å; F930-S934 PolarHBondContact O-OG 3.16Å; F930-F949 HydrophobicContact CE2-CE1 4.38Å; F930-F949 HydrophobicContact CE2-CE2 4.12Å; F930-F949 AromaticContact CE2-CZ 3.5Å; F930-F949 HydrophobicContact CE2-CZ 3.5Å; F930-F949 HydrophobicContact CZ-CE1 4.2Å; F930-F949 AromaticContact CZ-CZ 3.75Å; F930-F949 HydrophobicContact CZ-CZ 3.75Å; F930-L951 HydrophobicContact CD2-CD1 4.06Å; F930-L951 HydrophobicContact CE2-CD1 3.75Å; F930-L951 HydrophobicContact CZ-CD1 4.04Å
931	L	95.4	Very high	95.8	Very high	88 Å²	88	30 Å²	30	46%	0.461	15%	0.153	S	C	.	.	H	α-helix	trans	-46.3	-41.8	170.7	-177.3	59.6	0	0	0	112.7	L878 H929 T933 S934 S935	L878-L931 HydrophobicContact CD1-CD2 4.16Å; L878-L931 HydrophobicContact CD1-CG 4.12Å; L878-L931 HydrophobicContact CD2-CD2 4.04Å; H929-L931 HydrophobicContact CB-CB 4.27Å; H929-L931 PolarHBondContact O-N 2.81Å; L931-T933 PolarHBondContact O-N 2.93Å; L931-S934 VanDerWaalsContact CA-OG 3.3Å; L931-S934 WeakPolarHBondContact CA-OG 3.36Å; L931-S934 PolarHBondContact O-N 3.31Å; L931-S934 PolarHBondContact O-OG 3.37Å; L931-S935 WeakPolarHBondContact O-CB 3.46Å; L931-S935 PolarHBondContact O-N 2.83Å; L931-S935 PolarHBondContact O-OG 2.87Å; L931-S935 VanDerWaalsContact O-OG 3.11Å
932	H	98.1	Very high	95.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-53	-56.5	176.4	-75.9	-77.7	0	0	0	111.9	V874 D875 V928 H929 F930 L936	V874-H932 HydrophobicContact CB-CB 3.96Å; V874-H932 HydrophobicContact CG2-CB 3.91Å; V874-H932 PolarHBondContact N-ND1 2.83Å; V874-H932 VanDerWaalsContact N-ND1 3.19Å; D875-H932 PolarHBondContact N-ND1 2.78Å; D875-H932 PolarHBondContact O-CE1 2.8Å; V928-H932 HydrophobicContact CG1-CB 4.44Å; H929-H932 PolarHBondContact O-CD2 2.8Å; H929-H932 VanDerWaalsContact O-CD2 3.27Å; H929-H932 PolarHBondContact O-N 2.91Å; F930-H932 PolarHBondContact O-N 2.83Å; H932-L936 PolarHBondContact O-N 3.29Å; H932-L936 VanDerWaalsContact O-N 3.08Å
933	T	98.2	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.3	-39.1	-178.1	-75.3	0	0	0	0	112.1	I919 H921 F930 L931 S935 L936 I937 F949	I919-T933 HydrophobicContact CG2-CG2 3.7Å; H921-T933 HydrophobicContact CB-CG2 4.34Å; H921-T933 PolarHBondContact CE1-OG1 3.13Å; H921-T933 WeakPolarHBondContact ND1-CB 3.39Å; H921-T933 PolarHBondContact ND1-OG1 3.29Å; F930-T933 HydrophobicContact CD2-CG2 4.46Å; F930-T933 HydrophobicContact CE2-CG2 3.81Å; F930-T933 PolarHBondContact O-N 2.88Å; F930-T933 VanDerWaalsContact O-N 3.09Å; L931-T933 PolarHBondContact O-N 2.93Å; T933-S935 VanDerWaalsContact C-N 3.34Å; T933-S935 PolarHBondContact O-N 2.69Å; T933-L936 PolarHBondContact O-N 3.13Å; T933-I937 HydrophobicContact CG2-CD1 3.73Å; T933-I937 HydrophobicContact CG2-CG1 4.31Å; T933-I937 WeakPolarHBondContact O-CG1 3.38Å; T933-I937 PolarHBondContact O-N 3.32Å; T933-F949 HydrophobicContact CG2-CD2 4.03Å; T933-F949 HydrophobicContact CG2-CE2 3.57Å; T933-F949 HydrophobicContact CG2-CZ 4.16Å
934	S	97.3	Very high	96.1	Very high	43 Å²	43	38.7 Å²	38.7	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-62.9	-40.9	177.8	59.9	0	0	0	0	112.4	F930 L931 L936 I937 E938	F930-S934 PolarHBondContact O-N 2.79Å; F930-S934 PolarHBondContact O-OG 3.16Å; L931-S934 VanDerWaalsContact CA-OG 3.3Å; L931-S934 WeakPolarHBondContact CA-OG 3.36Å; L931-S934 PolarHBondContact O-N 3.31Å; L931-S934 PolarHBondContact O-OG 3.37Å; S934-L936 VanDerWaalsContact C-N 3.35Å; S934-I937 PolarHBondContact O-N 2.87Å; S934-E938 PolarHBondContact O-N 2.68Å
935	S	97.7	Very high	96.5	Very high	32 Å²	32	40.1 Å²	40.1	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-35	176.3	-63.6	0	0	0	0	111.6	M904 L931 T933 E938 R939	M904-S935 VanDerWaalsContact CE-CB 3.47Å; M904-S935 VanDerWaalsContact CE-O 3.29Å; M904-S935 WeakPolarHBondContact CE-O 3.42Å; L931-S935 WeakPolarHBondContact O-CB 3.46Å; L931-S935 PolarHBondContact O-N 2.83Å; L931-S935 PolarHBondContact O-OG 2.87Å; L931-S935 VanDerWaalsContact O-OG 3.11Å; T933-S935 VanDerWaalsContact C-N 3.34Å; T933-S935 PolarHBondContact O-N 2.69Å; S935-E938 PolarHBondContact O-N 2.93Å; S935-R939 PolarHBondContact O-N 2.99Å
936	L	98.5	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-45.2	175.3	175.1	61.4	0	0	0	111.3	L854 V874 I903 M904 V907 I919 H932 T933 S934 E938 R939 L940	L854-L936 HydrophobicContact CD1-CD2 3.63Å; L854-L936 HydrophobicContact CD2-CD2 3.85Å; L854-L936 HydrophobicContact CG-CD2 4.41Å; V874-L936 HydrophobicContact CG1-CB 4.02Å; V874-L936 HydrophobicContact CG2-CB 4.05Å; V874-L936 HydrophobicContact CG2-CD2 3.99Å; I903-L936 HydrophobicContact CG2-CD1 3.84Å; M904-L936 HydrophobicContact CE-CB 4.38Å; M904-L936 HydrophobicContact SD-CD1 4.41Å; V907-L936 HydrophobicContact CG2-CD1 3.79Å; I919-L936 HydrophobicContact CD1-CD2 3.72Å; I919-L936 HydrophobicContact CD1-CG 4.34Å; H932-L936 PolarHBondContact O-N 3.29Å; H932-L936 VanDerWaalsContact O-N 3.08Å; T933-L936 PolarHBondContact O-N 3.13Å; S934-L936 VanDerWaalsContact C-N 3.35Å; L936-E938 VanDerWaalsContact C-N 3.33Å; L936-E938 PolarHBondContact O-N 2.89Å; L936-R939 WeakPolarHBondContact O-CB 3.38Å; L936-R939 PolarHBondContact O-N 2.65Å; L936-L940 HydrophobicContact CD1-CD1 4.19Å; L936-L940 HydrophobicContact CD1-CG 4.21Å; L936-L940 HydrophobicContact CG-CD1 3.87Å; L936-L940 HydrophobicContact CG-CG 4.38Å; L936-L940 WeakPolarHBondContact O-CG 3.42Å; L936-L940 PolarHBondContact O-N 2.83Å
937	I	98.4	Very high	97	Very high	26 Å²	26	44.3 Å²	44.3	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-44.6	177.1	-72	169.1	0	0	0	110.5	T933 S934 R939 L940 I941 F949	T933-I937 HydrophobicContact CG2-CD1 3.73Å; T933-I937 HydrophobicContact CG2-CG1 4.31Å; T933-I937 WeakPolarHBondContact O-CG1 3.38Å; T933-I937 PolarHBondContact O-N 3.32Å; S934-I937 PolarHBondContact O-N 2.87Å; I937-R939 VanDerWaalsContact C-N 3.31Å; I937-R939 PolarHBondContact O-N 3.48Å; I937-L940 PolarHBondContact O-N 2.81Å; I937-I941 HydrophobicContact CG2-CD1 3.74Å; I937-I941 HydrophobicContact CG2-CG1 4.39Å; I937-I941 VanDerWaalsContact O-CG1 3.25Å; I937-I941 WeakPolarHBondContact O-CG1 3.39Å; I937-I941 PolarHBondContact O-N 2.9Å; I937-F949 HydrophobicContact CD1-CB 4.14Å; I937-F949 HydrophobicContact CD1-CD1 3.64Å; I937-F949 HydrophobicContact CD1-CD2 3.83Å; I937-F949 HydrophobicContact CD1-CE1 3.98Å; I937-F949 HydrophobicContact CD1-CE2 4.18Å; I937-F949 HydrophobicContact CD1-CG 3.57Å; I937-F949 HydrophobicContact CD1-CZ 4.25Å
938	E	98.1	Very high	97.3	Very high	130 Å²	130	46.5 Å²	46.5	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-56.5	-47.1	174.2	-177.1	175	-161.1	0	0	111	S934 S935 L936 I941 T942	S934-E938 PolarHBondContact O-N 2.68Å; S935-E938 PolarHBondContact O-N 2.93Å; L936-E938 VanDerWaalsContact C-N 3.33Å; L936-E938 PolarHBondContact O-N 2.89Å; E938-I941 PolarHBondContact O-N 3.08Å; E938-T942 VanDerWaalsContact O-CG2 3.31Å; E938-T942 WeakPolarHBondContact O-CG2 3.35Å; E938-T942 PolarHBondContact O-N 3.04Å; E938-T942 PolarHBondContact O-OG1 2.91Å
939	R	98.1	Very high	97.4	Very high	104 Å²	104	49.8 Å²	49.8	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-47.2	177.1	-173.5	60.5	169.3	173.4	-0.5	112.2	M904 V907 S935 L936 I937 I941 T942 C943	M904-R939 HydrophobicContact SD-CB 3.58Å; M904-R939 VanDerWaalsContact SD-CB 3.58Å; M904-R939 HydrophobicContact SD-CG 3.79Å; V907-R939 HydrophobicContact CB-CG 3.86Å; V907-R939 HydrophobicContact CG1-CG 3.89Å; V907-R939 HydrophobicContact CG2-CG 3.85Å; S935-R939 PolarHBondContact O-N 2.99Å; L936-R939 WeakPolarHBondContact O-CB 3.38Å; L936-R939 PolarHBondContact O-N 2.65Å; I937-R939 VanDerWaalsContact C-N 3.31Å; I937-R939 PolarHBondContact O-N 3.48Å; R939-I941 VanDerWaalsContact C-N 3.32Å; R939-I941 PolarHBondContact O-N 3.08Å; R939-T942 WeakPolarHBondContact CA-OG1 3.46Å; R939-T942 PolarHBondContact O-N 2.83Å; R939-T942 PolarHBondContact O-OG1 2.87Å; R939-C943 WeakPolarHBondContact O-CB 3.37Å; R939-C943 PolarHBondContact O-N 2.91Å
940	L	98.2	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.3	-45.5	176.4	-73.7	162.8	0	0	0	111.5	V907 M910 L917 I919 L936 I937 C943 G944 K945 H947	V907-L940 HydrophobicContact CG1-CD2 3.71Å; V907-L940 HydrophobicContact CG1-CG 4.11Å; M910-L940 HydrophobicContact CE-CD2 4Å; M910-L940 HydrophobicContact SD-CD2 3.88Å; L917-L940 HydrophobicContact CD2-CD1 4.14Å; L917-L940 HydrophobicContact CD2-CD2 4.34Å; I919-L940 HydrophobicContact CD1-CD1 3.98Å; L936-L940 HydrophobicContact CD1-CD1 4.19Å; L936-L940 HydrophobicContact CD1-CG 4.21Å; L936-L940 HydrophobicContact CG-CD1 3.87Å; L936-L940 HydrophobicContact CG-CG 4.38Å; L936-L940 WeakPolarHBondContact O-CG 3.42Å; L936-L940 PolarHBondContact O-N 2.83Å; I937-L940 PolarHBondContact O-N 2.81Å; L940-C943 PolarHBondContact O-N 3.18Å; L940-G944 PolarHBondContact O-N 3.44Å; L940-G944 VanDerWaalsContact O-N 3.1Å; L940-K945 HydrophobicContact CB-CB 4.37Å; L940-K945 HydrophobicContact CD2-CB 3.65Å; L940-K945 HydrophobicContact CD2-CG 4.43Å; L940-K945 PolarHBondContact O-N 2.8Å; L940-H947 HydrophobicContact CD1-CB 4.02Å
941	I	97.5	Very high	97.5	Very high	112 Å²	112	52.1 Å²	52.1	57%	0.574	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-49.6	176.4	-68.3	165.6	0	0	0	110.5	I937 E938 R939 C943 G944	I937-I941 HydrophobicContact CG2-CD1 3.74Å; I937-I941 HydrophobicContact CG2-CG1 4.39Å; I937-I941 VanDerWaalsContact O-CG1 3.25Å; I937-I941 WeakPolarHBondContact O-CG1 3.39Å; I937-I941 PolarHBondContact O-N 2.9Å; E938-I941 PolarHBondContact O-N 3.08Å; R939-I941 VanDerWaalsContact C-N 3.32Å; R939-I941 PolarHBondContact O-N 3.08Å; I941-C943 VanDerWaalsContact C-N 3.25Å; I941-C943 PolarHBondContact O-N 3.02Å; I941-G944 PolarHBondContact O-N 2.8Å
942	T	97.3	Very high	97.5	Very high	96 Å²	96	48.3 Å²	48.3	59%	0.589	26%	0.262	S	S	*	.	H	α-helix	trans	-63.4	-31.1	-178.8	60.8	0	0	0	0	113.1	E938 R939 G944	E938-T942 VanDerWaalsContact O-CG2 3.31Å; E938-T942 WeakPolarHBondContact O-CG2 3.35Å; E938-T942 PolarHBondContact O-N 3.04Å; E938-T942 PolarHBondContact O-OG1 2.91Å; R939-T942 WeakPolarHBondContact CA-OG1 3.46Å; R939-T942 PolarHBondContact O-N 2.83Å; R939-T942 PolarHBondContact O-OG1 2.87Å; T942-G944 VanDerWaalsContact C-N 3.35Å
943	C	97.3	Very high	97.1	Very high	41 Å²	41	51.5 Å²	51.5	28%	0.277	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.4	176.2	-68.4	0	0	0	0	113.7	V907 R939 L940 I941 K945	V907-C943 HydrophobicContact CG1-CB 4.19Å; R939-C943 WeakPolarHBondContact O-CB 3.37Å; R939-C943 PolarHBondContact O-N 2.91Å; L940-C943 PolarHBondContact O-N 3.18Å; I941-C943 VanDerWaalsContact C-N 3.25Å; I941-C943 PolarHBondContact O-N 3.02Å; C943-K945 VanDerWaalsContact C-N 3.33Å; C943-K945 HydrophobicContact CB-CG 3.9Å; C943-K945 PolarHBondContact O-N 2.76Å
944	G	96.5	Very high	96.4	Very high	59 Å²	59	54.4 Å²	54.4	61%	0.608	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	30.5	-179.4	0	0	0	0	0	114	L940 I941 T942	L940-G944 PolarHBondContact O-N 3.44Å; L940-G944 VanDerWaalsContact O-N 3.1Å; I941-G944 PolarHBondContact O-N 2.8Å; T942-G944 VanDerWaalsContact C-N 3.35Å
945	K	97.4	Very high	96	Very high	33 Å²	33	52.4 Å²	52.4	14%	0.143	28%	0.284	C	S	.	.			trans	-98	125.3	-175.7	-63.8	-58.6	-176.7	177.2	0	111.7	V907 S908 M910 L940 C943 H947	V907-K945 HydrophobicContact CG1-CG 4.31Å; V907-K945 VanDerWaalsContact O-CE 3.32Å; V907-K945 WeakPolarHBondContact O-CE 3.45Å; V907-K945 WeakPolarHBondContact O-CG 3.38Å; S908-K945 WeakPolarHBondContact O-CE 3.46Å; S908-K945 PolarHBondContact O-NZ 3.17Å; M910-K945 HydrophobicContact CB-CD 4.33Å; M910-K945 HydrophobicContact CE-CB 3.71Å; M910-K945 HydrophobicContact CE-CD 4.49Å; M910-K945 HydrophobicContact CE-CG 4.38Å; M910-K945 WeakPolarHBondContact O-CD 3.38Å; M910-K945 WeakPolarHBondContact O-CE 3.2Å; M910-K945 PolarHBondContact O-NZ 2.84Å; L940-K945 HydrophobicContact CB-CB 4.37Å; L940-K945 HydrophobicContact CD2-CB 3.65Å; L940-K945 HydrophobicContact CD2-CG 4.43Å; L940-K945 PolarHBondContact O-N 2.8Å; C943-K945 VanDerWaalsContact C-N 3.33Å; C943-K945 HydrophobicContact CB-CG 3.9Å; C943-K945 PolarHBondContact O-N 2.76Å; K945-H947 PolarHBondContact O-ND1 2.88Å
946	P	96.9	Very high	95.6	Very high	40 Å²	40	51 Å²	51	26%	0.26	27%	0.274	S	S	.	.			trans	-72.2	147.9	179.8	32.2	-35.5	0	0	0	111.2	M910 D913	M910-P946 WeakPolarHBondContact CE-O 3.4Å; D913-P946 WeakPolarHBondContact O-CG 3.48Å
947	H	97.5	Very high	95.3	Very high	51 Å²	51	52.3 Å²	52.3	24%	0.236	28%	0.28	C	S	.	.			trans	-157.5	155.8	176	59.1	-80.8	0	0	0	110.5	L917 L940 K945	L917-H947 HydrophobicContact CD2-CB 4.38Å; L940-H947 HydrophobicContact CD1-CB 4.02Å; K945-H947 PolarHBondContact O-ND1 2.88Å
948	H	98	Very high	94.7	Very high	49 Å²	49	56.9 Å²	56.9	23%	0.227	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.2	165.6	-70.6	-97.7	0	0	0	109.7	K914 Y915 L917 F918 I919 F972	K914-H948 PolarHBondContact O-CD2 3.48Å; K914-H948 VanDerWaalsContact O-CD2 3.27Å; K914-H948 PolarHBondContact O-NE2 2.81Å; Y915-H948 AromaticContact CD1-NE2 3.97Å; L917-H948 PolarHBondContact O-N 2.92Å; F918-H948 WeakPolarHBondContact CA-O 3.39Å; F918-H948 HydrophobicContact CB-CB 4.11Å; F918-H948 HydrophobicContact CD1-CB 3.86Å; F918-H948 HydrophobicContact CD2-CB 3.52Å; F918-H948 WeakPolarHBondContact CD2-O 3.19Å; F918-H948 HydrophobicContact CE1-CB 4.1Å; F918-H948 HydrophobicContact CE2-CB 3.78Å; F918-H948 HydrophobicContact CG-CB 3.56Å; F918-H948 HydrophobicContact CZ-CB 4.06Å; I919-H948 PolarHBondContact N-O 3.43Å; H948-F972 AromaticContact CD2-CE2 3.64Å; H948-F972 AromaticContact NE2-CE2 3.87Å
949	F	97.9	Very high	94.2	Very high	69 Å²	69	51.4 Å²	51.4	30%	0.303	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135	179.7	174.7	-121.1	0	0	0	111.9	I919 H921 F930 T933 I937 L951	I919-F949 HydrophobicContact CB-CD2 4.12Å; I919-F949 HydrophobicContact CG2-CD2 4.11Å; I919-F949 HydrophobicContact CG2-CE2 4.46Å; I919-F949 CarbonylContact O-C 3.46Å; I919-F949 VanDerWaalsContact O-CA 3.3Å; I919-F949 WeakPolarHBondContact O-CA 3.48Å; I919-F949 WeakPolarHBondContact O-CD2 3.43Å; H921-F949 HydrophobicContact CB-CE2 4.24Å; F930-F949 HydrophobicContact CE2-CE1 4.38Å; F930-F949 HydrophobicContact CE2-CE2 4.12Å; F930-F949 AromaticContact CE2-CZ 3.5Å; F930-F949 HydrophobicContact CE2-CZ 3.5Å; F930-F949 HydrophobicContact CZ-CE1 4.2Å; F930-F949 AromaticContact CZ-CZ 3.75Å; F930-F949 HydrophobicContact CZ-CZ 3.75Å; T933-F949 HydrophobicContact CG2-CD2 4.03Å; T933-F949 HydrophobicContact CG2-CE2 3.57Å; T933-F949 HydrophobicContact CG2-CZ 4.16Å; I937-F949 HydrophobicContact CD1-CB 4.14Å; I937-F949 HydrophobicContact CD1-CD1 3.64Å; I937-F949 HydrophobicContact CD1-CD2 3.83Å; I937-F949 HydrophobicContact CD1-CE1 3.98Å; I937-F949 HydrophobicContact CD1-CE2 4.18Å; I937-F949 HydrophobicContact CD1-CG 3.57Å; I937-F949 HydrophobicContact CD1-CZ 4.25Å; F949-L951 HydrophobicContact CE1-CB 3.87Å; F949-L951 HydrophobicContact CZ-CB 3.69Å; F949-L951 HydrophobicContact CZ-CD1 4.03Å; F949-L951 HydrophobicContact CZ-CG 4.42Å
950	Q	97.7	Very high	93.6	Very high	61 Å²	61	50.4 Å²	50.4	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.3	174.7	-178	66.5	68.2	0	0	110.6	F918 I919 F920 H921 Y952	F918-Q950 HydrophobicContact CE2-CB 3.88Å; F918-Q950 HydrophobicContact CZ-CB 4.4Å; I919-Q950 PolarHBondContact O-N 2.86Å; F920-Q950 WeakPolarHBondContact CA-O 3.49Å; F920-Q950 HydrophobicContact CD1-CB 3.5Å; F920-Q950 HydrophobicContact CD1-CG 3.86Å; F920-Q950 HydrophobicContact CE1-CB 3.74Å; F920-Q950 HydrophobicContact CE1-CG 4.05Å; F920-Q950 HydrophobicContact CG-CB 4.3Å; H921-Q950 PolarHBondContact N-O 3.5Å; H921-Q950 VanDerWaalsContact N-O 3.14Å; Q950-Y952 HydrophobicContact CG-CE1 4.42Å; Q950-Y952 HydrophobicContact CG-CE2 3.83Å
951	L	96.2	Very high	93.1	Very high	59 Å²	59	54.5 Å²	54.5	31%	0.309	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.4	172.5	-175.3	66.4	0	0	0	110.3	F930 F949 P953	F930-L951 HydrophobicContact CD2-CD1 4.06Å; F930-L951 HydrophobicContact CE2-CD1 3.75Å; F930-L951 HydrophobicContact CZ-CD1 4.04Å; F949-L951 HydrophobicContact CE1-CB 3.87Å; F949-L951 HydrophobicContact CZ-CB 3.69Å; F949-L951 HydrophobicContact CZ-CD1 4.03Å; F949-L951 HydrophobicContact CZ-CG 4.42Å; L951-P953 HydrophobicContact CD2-CG 4.31Å; L951-P953 HydrophobicContact CG-CG 4.32Å; L951-P953 WeakPolarHBondContact O-CD 3.41Å
952	Y	94.3	Very high	92.7	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.035	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	92.6	166.3	-66.1	-80.8	0	0	0	109.6	F920 H921 G923 Q950 N954 S955 L959 Q961 H964 V965	F920-Y952 HydrophobicContact CB-CE2 4.42Å; F920-Y952 AromaticContact CD1-CE2 3.82Å; F920-Y952 HydrophobicContact CD1-CE2 3.82Å; H921-Y952 PolarHBondContact O-N 2.88Å; G923-Y952 PolarHBondContact N-O 3.06Å; Q950-Y952 HydrophobicContact CG-CE1 4.42Å; Q950-Y952 HydrophobicContact CG-CE2 3.83Å; Y952-N954 VanDerWaalsContact C-N 3.25Å; Y952-N954 PolarHBondContact O-N 2.86Å; Y952-N954 VanDerWaalsContact O-N 3.07Å; Y952-S955 PolarHBondContact O-N 3.27Å; Y952-L959 HydrophobicContact CD2-CD1 3.74Å; Y952-L959 HydrophobicContact CD2-CD2 3.96Å; Y952-L959 HydrophobicContact CD2-CG 4.33Å; Y952-L959 HydrophobicContact CE2-CD1 3.77Å; Y952-L959 HydrophobicContact CG-CD2 4.42Å; Y952-Q961 HydrophobicContact CD1-CB 4.05Å; Y952-Q961 HydrophobicContact CE1-CB 4.03Å; Y952-H964 HydrophobicContact CE1-CB 4.42Å; Y952-H964 AromaticContact CE1-ND1 3.91Å; Y952-H964 PolarHBondContact OH-ND1 3.05Å; Y952-V965 HydrophobicContact CD2-CG2 4.44Å; Y952-V965 HydrophobicContact CE1-CG2 4.14Å; Y952-V965 HydrophobicContact CE2-CG2 3.51Å; Y952-V965 VanDerWaalsContact OH-CA 3.24Å; Y952-V965 WeakPolarHBondContact OH-CA 3.04Å; Y952-V965 WeakPolarHBondContact OH-CG2 3.34Å; Y952-V965 PolarHBondContact OH-N 3.31Å
953	P	89.5	Confident	92.5	Very high	68 Å²	68	48.4 Å²	48.4	44%	0.442	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.2	-164.1	-26.8	35.3	0	0	0	116	Q924 L951	Q924-P953 VanDerWaalsContact CG-O 3.28Å; Q924-P953 WeakPolarHBondContact CG-O 3.13Å; Q924-P953 PolarHBondContact NE2-O 2.91Å; L951-P953 HydrophobicContact CD2-CG 4.31Å; L951-P953 HydrophobicContact CG-CG 4.32Å; L951-P953 WeakPolarHBondContact O-CD 3.41Å
954	N	85.1	Confident	92.4	Very high	61 Å²	61	49.3 Å²	49.3	33%	0.326	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.6	-178.6	-64.6	-29.2	0	0	0	113.4	E262 Q924 Y952 K960	E262-N954 HydrophobicContact CG-CB 4.02Å; Q924-N954 PolarHBondContact NE2-OD1 3.44Å; Y952-N954 VanDerWaalsContact C-N 3.25Å; Y952-N954 PolarHBondContact O-N 2.86Å; Y952-N954 VanDerWaalsContact O-N 3.07Å; N954-K960 WeakPolarHBondContact O-CD 3.48Å; N954-K960 WeakPolarHBondContact O-CE 3.43Å; N954-K960 PolarHBondContact O-NZ 2.86Å
955	S	88.5	Confident	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.			trans	-95.3	148.2	173.8	-68.5	0	0	0	0	110.5	G922 G923 Q924 Y952 K960 Q961	G922-S955 CarbonylContact C-O 3.6Å; G922-S955 VanDerWaalsContact C-O 3.26Å; G922-S955 VanDerWaalsContact CA-O 3.26Å; G922-S955 WeakPolarHBondContact CA-O 3.35Å; G923-S955 PolarHBondContact N-O 3.02Å; Q924-S955 PolarHBondContact N-O 2.98Å; Y952-S955 PolarHBondContact O-N 3.27Å; S955-K960 PolarHBondContact OG-N 2.74Å; S955-Q961 PolarHBondContact OG-OE1 3.12Å
956	R	89.7	Confident	92.3	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.015	22%	0.221	C	C	.	.			trans	-99.1	-143.9	172.4	-73.1	179.4	172.8	-93.8	8.4	109	L110 E268 Q924 E926 R958	L110-R956 VanDerWaalsContact CD2-NH1 3.32Å; E268-R956 VanDerWaalsContact CD-NH2 3.33Å; E268-R956 IonicContact OE1-CZ 3.01Å; E268-R956 IonicContact OE1-NH1 3.73Å; E268-R956 IonicContact OE1-NH2 3.17Å; E268-R956 PolarHBondContact OE1-NH2 2.8Å; E268-R956 VanDerWaalsContact OE1-NH2 3.12Å; E268-R956 IonicContact OE2-CZ 3.84Å; E268-R956 IonicContact OE2-NH2 4Å; E268-R956 PolarHBondContact OE2-NH2 3.29Å; Q924-R956 HydrophobicContact CB-CG 3.8Å; Q924-R956 WeakPolarHBondContact O-CG 3.34Å; E926-R956 VanDerWaalsContact CD-NH1 3.32Å; E926-R956 VanDerWaalsContact OE2-CB 3.23Å; E926-R956 WeakPolarHBondContact OE2-CB 3.5Å; E926-R956 WeakPolarHBondContact OE2-CD 3.36Å; E926-R956 WeakPolarHBondContact OE2-CG 3.26Å; E926-R956 IonicContact OE2-CZ 3.86Å; E926-R956 IonicContact OE2-NE 2.94Å; E926-R956 IonicContact OE2-NH1 3.66Å; E926-R956 PolarHBondContact OE2-NH1 3.25Å; R956-R958 PolarHBondContact O-N 2.7Å
957	H	91.2	Very high	92.3	Very high	26 Å²	26	43.7 Å²	43.7	12%	0.12	21%	0.209	C	C	.	.	S	Bend	trans	-60.7	-35.1	175.2	-156.5	54.7	0	0	0	112.7	S847 D925 N927 V928	S847-H957 VanDerWaalsContact CB-NE2 3.3Å; S847-H957 WeakPolarHBondContact CB-NE2 3.32Å; S847-H957 PolarHBondContact OG-CE1 2.81Å; S847-H957 PolarHBondContact OG-NE2 2.77Å; S847-H957 VanDerWaalsContact OG-NE2 3.08Å; D925-H957 VanDerWaalsContact CG-CA 3.49Å; D925-H957 WeakPolarHBondContact OD1-CB 3.36Å; D925-H957 IonicContact OD1-CG 3.79Å; D925-H957 IonicContact OD1-ND1 3.77Å; D925-H957 PolarHBondContact OD1-ND1 2.77Å; D925-H957 WeakPolarHBondContact OD2-CA 3.37Å; D925-H957 IonicContact OD2-CE1 3.3Å; D925-H957 IonicContact OD2-CG 2.89Å; D925-H957 IonicContact OD2-ND1 2.69Å; D925-H957 PolarHBondContact OD2-ND1 3.37Å; N927-H957 HydrophobicContact CB-CB 4.2Å; V928-H957 WeakPolarHBondContact CG2-CE1 3.44Å
958	R	85	Confident	92.3	Very high	122 Å²	122	42 Å²	42	46%	0.46	20%	0.202	S	C	.	.	S	Bend	trans	-87.5	124.4	167.7	-70	178.7	170.3	-168	-7.1	110.5	R116 R956 K960	R116-R958 PolarHBondContact O-NH1 2.94Å; R956-R958 PolarHBondContact O-N 2.7Å; R958-K960 PolarHBondContact O-N 2.66Å
959	L	89.2	Confident	92.2	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.079	19%	0.191	C	C	.	.			trans	-78.2	113.1	176.8	-56.5	-172.3	0	0	0	110.5	I870 F920 Y952 Q961 V965	I870-L959 HydrophobicContact CG2-CD1 3.54Å; I870-L959 HydrophobicContact CG2-CG 4.38Å; F920-L959 HydrophobicContact CB-CD1 4.47Å; Y952-L959 HydrophobicContact CD2-CD1 3.74Å; Y952-L959 HydrophobicContact CD2-CD2 3.96Å; Y952-L959 HydrophobicContact CD2-CG 4.33Å; Y952-L959 HydrophobicContact CE2-CD1 3.77Å; Y952-L959 HydrophobicContact CG-CD2 4.42Å; L959-Q961 VanDerWaalsContact C-N 3.29Å; L959-Q961 PolarHBondContact O-N 2.93Å; L959-V965 HydrophobicContact CB-CG2 4.17Å; L959-V965 HydrophobicContact CD1-CG2 3.62Å
960	K	84.4	Confident	92.1	Very high	84 Å²	84	36.5 Å²	36.5	37%	0.365	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.7	-177.4	-71.7	175.5	179.1	159.9	0	112.4	E262 N954 S955 R958 Q962	E262-K960 IonicContact OE1-NZ 3.48Å; E262-K960 PolarHBondContact OE1-NZ 3.16Å; E262-K960 IonicContact OE2-NZ 3.31Å; E262-K960 PolarHBondContact OE2-NZ 2.98Å; N954-K960 WeakPolarHBondContact O-CD 3.48Å; N954-K960 WeakPolarHBondContact O-CE 3.43Å; N954-K960 PolarHBondContact O-NZ 2.86Å; S955-K960 PolarHBondContact OG-N 2.74Å; R958-K960 PolarHBondContact O-N 2.66Å; K960-Q962 PolarHBondContact O-N 3.19Å
961	Q	88.9	Confident	92	Very high	86 Å²	86	35.5 Å²	35.5	40%	0.402	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	51.9	-177.3	-66.1	75.8	46.5	0	0	112.3	Y952 S955 L959 S963 H964 V965	Y952-Q961 HydrophobicContact CD1-CB 4.05Å; Y952-Q961 HydrophobicContact CE1-CB 4.03Å; S955-Q961 PolarHBondContact OG-OE1 3.12Å; L959-Q961 VanDerWaalsContact C-N 3.29Å; L959-Q961 PolarHBondContact O-N 2.93Å; Q961-S963 VanDerWaalsContact C-N 3.33Å; Q961-S963 PolarHBondContact O-N 3.13Å; Q961-H964 HydrophobicContact CB-CB 4.14Å; Q961-H964 PolarHBondContact O-N 2.6Å; Q961-H964 WeakPolarHBondContact O-CB 3.22Å; Q961-V965 PolarHBondContact O-N 3.26Å
962	Q	88.9	Confident	92	Very high	55 Å²	55	33 Å²	33	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-52.8	-44.7	-174.5	-175.6	61.8	20.2	0	0	113.7	Y846 K960 H964 V965 E966	Y846-Q962 PolarHBondContact OH-NE2 2.89Å; K960-Q962 PolarHBondContact O-N 3.19Å; Q962-H964 PolarHBondContact O-N 3.29Å; Q962-V965 PolarHBondContact O-N 3.48Å; Q962-V965 WeakPolarHBondContact O-CB 3.25Å; Q962-E966 HydrophobicContact CG-CG 4.5Å; Q962-E966 WeakPolarHBondContact CG-OE1 3.4Å; Q962-E966 PolarHBondContact NE2-OE1 3.2Å; Q962-E966 WeakPolarHBondContact O-CB 3.32Å; Q962-E966 PolarHBondContact O-N 3.36Å
963	S	92.1	Very high	92	Very high	25 Å²	25	32.5 Å²	32.5	18%	0.175	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-26.4	179.8	-49.7	0	0	0	0	113.4	S23 Q961 A967	S23-S963 WeakPolarHBondContact CA-OG 3.43Å; S23-S963 WeakPolarHBondContact OG-CB 3.28Å; Q961-S963 VanDerWaalsContact C-N 3.33Å; Q961-S963 PolarHBondContact O-N 3.13Å; S963-A967 VanDerWaalsContact O-N 3.1Å; S963-A967 PolarHBondContact O-N 3.07Å; S963-A967 WeakPolarHBondContact O-CB 3.41Å
964	H	95.7	Very high	92.2	Very high	59 Å²	59	30.1 Å²	30.1	27%	0.273	14%	0.142	S	C	.	.	H	α-helix	trans	-73.9	-43.5	172.2	-172	-74.4	0	0	0	110.9	F15 Y19 Y952 Q961 Q962 E966 A967 T968	F15-H964 AromaticContact CZ-CD2 3.94Å; F15-H964 AromaticContact CZ-NE2 3.76Å; Y19-H964 HydrophobicContact CD2-CB 4.42Å; Y19-H964 HydrophobicContact CE2-CB 4.04Å; Y952-H964 HydrophobicContact CE1-CB 4.42Å; Y952-H964 AromaticContact CE1-ND1 3.91Å; Y952-H964 PolarHBondContact OH-ND1 3.05Å; Q961-H964 HydrophobicContact CB-CB 4.14Å; Q961-H964 PolarHBondContact O-N 2.6Å; Q961-H964 WeakPolarHBondContact O-CB 3.22Å; Q962-H964 PolarHBondContact O-N 3.29Å; H964-E966 VanDerWaalsContact C-N 3.32Å; H964-E966 PolarHBondContact O-N 2.82Å; H964-A967 PolarHBondContact O-N 3.23Å; H964-T968 PolarHBondContact CE1-OG1 2.84Å; H964-T968 PolarHBondContact ND1-OG1 2.81Å; H964-T968 WeakPolarHBondContact O-CB 3.02Å; H964-T968 PolarHBondContact O-N 2.84Å; H964-T968 PolarHBondContact O-OG1 2.79Å
965	V	96	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-53.4	-53.4	173.8	-179.7	0	0	0	0	109.8	I870 F920 Y952 L959 Q961 Q962 A967 T968 V969	I870-V965 HydrophobicContact CD1-CG1 4.05Å; F920-V965 HydrophobicContact CD1-CG1 4.32Å; F920-V965 HydrophobicContact CE1-CG1 4.44Å; Y952-V965 HydrophobicContact CD2-CG2 4.44Å; Y952-V965 HydrophobicContact CE1-CG2 4.14Å; Y952-V965 HydrophobicContact CE2-CG2 3.51Å; Y952-V965 VanDerWaalsContact OH-CA 3.24Å; Y952-V965 WeakPolarHBondContact OH-CA 3.04Å; Y952-V965 WeakPolarHBondContact OH-CG2 3.34Å; Y952-V965 PolarHBondContact OH-N 3.31Å; L959-V965 HydrophobicContact CB-CG2 4.17Å; L959-V965 HydrophobicContact CD1-CG2 3.62Å; Q961-V965 PolarHBondContact O-N 3.26Å; Q962-V965 PolarHBondContact O-N 3.48Å; Q962-V965 WeakPolarHBondContact O-CB 3.25Å; V965-A967 PolarHBondContact O-N 3.3Å; V965-T968 PolarHBondContact O-N 3.15Å; V965-V969 HydrophobicContact CG1-CG2 4.42Å; V965-V969 WeakPolarHBondContact O-CG2 3.42Å; V965-V969 PolarHBondContact O-N 3.45Å
966	E	95.3	Very high	92.6	Very high	15 Å²	15	30.8 Å²	30.8	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-44.9	-179.8	-79.9	169.1	-176.4	0	0	112.8	A22 H780 L783 Q962 H964 V969 L970	A22-E966 HydrophobicContact CB-CB 3.85Å; A22-E966 WeakPolarHBondContact CB-OE2 3.26Å; H780-E966 IonicContact CD2-OE1 3.56Å; L783-E966 HydrophobicContact CD2-CB 3.6Å; L783-E966 HydrophobicContact CD2-CG 3.62Å; Q962-E966 HydrophobicContact CG-CG 4.5Å; Q962-E966 WeakPolarHBondContact CG-OE1 3.4Å; Q962-E966 PolarHBondContact NE2-OE1 3.2Å; Q962-E966 WeakPolarHBondContact O-CB 3.32Å; Q962-E966 PolarHBondContact O-N 3.36Å; H964-E966 VanDerWaalsContact C-N 3.32Å; H964-E966 PolarHBondContact O-N 2.82Å; E966-V969 PolarHBondContact O-N 3.22Å; E966-L970 WeakPolarHBondContact O-CB 3.32Å; E966-L970 WeakPolarHBondContact O-CG 3.29Å; E966-L970 PolarHBondContact O-N 3.24Å
967	A	96.6	Very high	92.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-41.2	177.1	0	0	0	0	0	112.8	F15 F18 Y19 S963 H964 V965 L970 N971	F15-A967 HydrophobicContact CD2-CB 4.35Å; F15-A967 HydrophobicContact CE1-CB 4.37Å; F15-A967 HydrophobicContact CE2-CB 3.79Å; F15-A967 HydrophobicContact CZ-CB 3.8Å; F18-A967 HydrophobicContact CB-CB 3.94Å; Y19-A967 HydrophobicContact CD2-CB 4.22Å; S963-A967 VanDerWaalsContact O-N 3.1Å; S963-A967 PolarHBondContact O-N 3.07Å; S963-A967 WeakPolarHBondContact O-CB 3.41Å; H964-A967 PolarHBondContact O-N 3.23Å; V965-A967 PolarHBondContact O-N 3.3Å; A967-L970 PolarHBondContact O-N 3.47Å; A967-N971 PolarHBondContact O-N 2.93Å; A967-N971 WeakPolarHBondContact O-CB 3.49Å
968	T	97.4	Very high	92.1	Very high	16 Å²	16	31 Å²	31	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-43.3	176.3	-59.7	0	0	0	0	111.2	F918 F920 H964 V965 N971 F972	F918-T968 HydrophobicContact CE1-CG2 3.55Å; F918-T968 HydrophobicContact CZ-CG2 3.43Å; F918-T968 VanDerWaalsContact CZ-CG2 3.43Å; F920-T968 HydrophobicContact CE1-CG2 3.78Å; F920-T968 HydrophobicContact CZ-CG2 3.79Å; H964-T968 PolarHBondContact CE1-OG1 2.84Å; H964-T968 PolarHBondContact ND1-OG1 2.81Å; H964-T968 WeakPolarHBondContact O-CB 3.02Å; H964-T968 PolarHBondContact O-N 2.84Å; H964-T968 PolarHBondContact O-OG1 2.79Å; V965-T968 PolarHBondContact O-N 3.15Å; T968-N971 PolarHBondContact O-N 2.86Å; T968-F972 WeakPolarHBondContact O-CB 3.45Å; T968-F972 PolarHBondContact O-N 3.36Å
969	V	97.2	Very high	91.2	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-49.1	175	168	0	0	0	0	110.6	F784 M844 I868 F920 V965 E966 N971 F972 L973	F784-V969 HydrophobicContact CE1-CG1 3.75Å; F784-V969 HydrophobicContact CZ-CG1 3.84Å; M844-V969 HydrophobicContact SD-CG1 3.95Å; M844-V969 HydrophobicContact SD-CG2 4.27Å; I868-V969 HydrophobicContact CD1-CB 4.46Å; I868-V969 HydrophobicContact CD1-CG1 3.67Å; I868-V969 HydrophobicContact CD1-CG2 4.28Å; I868-V969 HydrophobicContact CG2-CG2 4.01Å; F920-V969 HydrophobicContact CE2-CG2 4.08Å; F920-V969 HydrophobicContact CZ-CG2 3.9Å; V965-V969 HydrophobicContact CG1-CG2 4.42Å; V965-V969 WeakPolarHBondContact O-CG2 3.42Å; V965-V969 PolarHBondContact O-N 3.45Å; E966-V969 PolarHBondContact O-N 3.22Å; V969-N971 PolarHBondContact O-N 3.23Å; V969-F972 WeakPolarHBondContact O-CB 3.43Å; V969-F972 PolarHBondContact O-N 2.63Å; V969-F972 VanDerWaalsContact O-N 3.16Å; V969-L973 PolarHBondContact O-N 3.31Å; V969-L973 HydrophobicContact CG1-CG 4.15Å; V969-L973 HydrophobicContact CG1-CD1 3.83Å; V969-L973 WeakPolarHBondContact O-CG 3.44Å
970	L	95.7	Very high	89.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-43.4	178.6	-77	165.9	0	0	0	112.7	F18 L783 F784 F787 Y789 E966 A967 F972 L973 E974	F18-L970 HydrophobicContact CB-CB 4.27Å; F18-L970 HydrophobicContact CB-CD1 4.26Å; F18-L970 HydrophobicContact CD1-CB 3.64Å; F18-L970 HydrophobicContact CD1-CD1 3.89Å; F18-L970 HydrophobicContact CD1-CG 4.3Å; F18-L970 HydrophobicContact CD2-CB 4.22Å; F18-L970 HydrophobicContact CE1-CB 3.9Å; F18-L970 HydrophobicContact CE2-CB 4.46Å; F18-L970 HydrophobicContact CG-CB 3.81Å; F18-L970 HydrophobicContact CG-CD1 4.35Å; F18-L970 HydrophobicContact CZ-CB 4.3Å; L783-L970 HydrophobicContact CD1-CD1 3.85Å; L783-L970 HydrophobicContact CD2-CD1 4.05Å; L783-L970 HydrophobicContact CG-CD1 3.95Å; F784-L970 HydrophobicContact CD1-CD2 3.56Å; F784-L970 HydrophobicContact CD1-CG 4.26Å; F784-L970 HydrophobicContact CE1-CD2 3.75Å; F784-L970 HydrophobicContact CE1-CG 3.96Å; F787-L970 HydrophobicContact CB-CD2 3.97Å; F787-L970 HydrophobicContact CD2-CD1 3.55Å; F787-L970 HydrophobicContact CD2-CD2 3.53Å; F787-L970 HydrophobicContact CD2-CG 4.17Å; F787-L970 HydrophobicContact CE2-CD1 3.51Å; F787-L970 HydrophobicContact CE2-CD2 4.36Å; F787-L970 HydrophobicContact CG-CD2 3.98Å; F787-L970 HydrophobicContact CZ-CD1 4.49Å; Y789-L970 HydrophobicContact CD2-CD2 4.48Å; Y789-L970 HydrophobicContact CE2-CD2 4.28Å; E966-L970 WeakPolarHBondContact O-CB 3.32Å; E966-L970 WeakPolarHBondContact O-CG 3.29Å; E966-L970 PolarHBondContact O-N 3.24Å; A967-L970 PolarHBondContact O-N 3.47Å; L970-F972 VanDerWaalsContact C-N 3.29Å; L970-F972 PolarHBondContact O-N 3.42Å; L970-L973 PolarHBondContact O-N 2.83Å; L970-E974 WeakPolarHBondContact O-CB 3.32Å; L970-E974 PolarHBondContact O-N 3.42Å
971	N	95.3	Very high	86.9	Confident	41 Å²	41	35.1 Å²	35.1	22%	0.219	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-43.8	175.4	-172.6	86	0	0	0	111.2	F15 F18 A967 T968 V969 E974 E975	F15-N971 HydrophobicContact CD2-CB 4.28Å; F18-N971 HydrophobicContact CD2-CB 4.05Å; F18-N971 HydrophobicContact CE2-CB 4.08Å; A967-N971 PolarHBondContact O-N 2.93Å; A967-N971 WeakPolarHBondContact O-CB 3.49Å; T968-N971 PolarHBondContact O-N 2.86Å; V969-N971 PolarHBondContact O-N 3.23Å; N971-E974 PolarHBondContact O-N 3Å; N971-E975 WeakPolarHBondContact O-CG 3.46Å; N971-E975 PolarHBondContact O-N 3.45Å; N971-E975 PolarHBondContact ND2-OE1 2.71Å
972	F	95.6	Very high	86.8	Confident	5 Å²	5	32.6 Å²	32.6	2%	0.022	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-44.1	177.4	-169.6	-115	0	0	0	112.4	V866 I868 Y915 F918 H948 T968 V969 L970 E974 E975 T976	V866-F972 HydrophobicContact CG1-CD1 3.94Å; V866-F972 HydrophobicContact CG1-CE1 3.42Å; V866-F972 VanDerWaalsContact CG1-CE1 3.42Å; V866-F972 HydrophobicContact CG1-CZ 4.47Å; I868-F972 HydrophobicContact CD1-CD1 4.29Å; Y915-F972 HydrophobicContact CD1-CD2 4.44Å; Y915-F972 AromaticContact CD1-CE2 3.8Å; Y915-F972 HydrophobicContact CD1-CE2 3.8Å; Y915-F972 WeakPolarHBondContact O-CZ 3.21Å; F918-F972 HydrophobicContact CB-CD1 4.26Å; F918-F972 HydrophobicContact CB-CE1 3.83Å; F918-F972 HydrophobicContact CB-CZ 4.08Å; F918-F972 HydrophobicContact CD1-CB 4.03Å; F918-F972 AromaticContact CD1-CD1 3.81Å; F918-F972 HydrophobicContact CD1-CD1 3.81Å; F918-F972 AromaticContact CD1-CD2 3.7Å; F918-F972 HydrophobicContact CD1-CD2 3.7Å; F918-F972 HydrophobicContact CD1-CE1 4.05Å; F918-F972 AromaticContact CD1-CE2 3.98Å; F918-F972 HydrophobicContact CD1-CE2 3.98Å; F918-F972 AromaticContact CD1-CG 3.6Å; F918-F972 HydrophobicContact CD1-CG 3.6Å; F918-F972 HydrophobicContact CD1-CZ 4.14Å; F918-F972 HydrophobicContact CE1-CB 4.23Å; F918-F972 HydrophobicContact CE1-CD2 4.11Å; F918-F972 HydrophobicContact CE1-CG 4.17Å; F918-F972 HydrophobicContact CG-CE1 4.47Å; H948-F972 AromaticContact CD2-CE2 3.64Å; H948-F972 AromaticContact NE2-CE2 3.87Å; T968-F972 WeakPolarHBondContact O-CB 3.45Å; T968-F972 PolarHBondContact O-N 3.36Å; V969-F972 WeakPolarHBondContact O-CB 3.43Å; V969-F972 PolarHBondContact O-N 2.63Å; V969-F972 VanDerWaalsContact O-N 3.16Å; L970-F972 VanDerWaalsContact C-N 3.29Å; L970-F972 PolarHBondContact O-N 3.42Å; F972-E974 VanDerWaalsContact C-N 3.3Å; F972-E974 PolarHBondContact O-N 3.07Å; F972-E975 PolarHBondContact O-N 2.85Å; F972-T976 WeakPolarHBondContact O-CG2 3.43Å; F972-T976 PolarHBondContact O-OG1 3.26Å; F972-T976 PolarHBondContact O-N 3.22Å; F972-T976 WeakPolarHBondContact O-CB 3.27Å; F972-T976 HydrophobicContact CZ-CG2 4.28Å; F972-T976 HydrophobicContact CE2-CG2 4.26Å; F972-T976 HydrophobicContact CE1-CG2 4.4Å; F972-T976 HydrophobicContact CD2-CG2 4.36Å; F972-T976 HydrophobicContact CD1-CG2 4.48Å; F972-T976 HydrophobicContact CG-CG2 4.48Å
973	L	95.2	Very high	86.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-33.2	176	-66.9	177.8	0	0	0	112.3	L757 F784 Y789 A842 I868 V969 L970 T976 L977	L757-L973 HydrophobicContact CD1-CD1 4.27Å; F784-L973 HydrophobicContact CD1-CD1 4.12Å; F784-L973 HydrophobicContact CE1-CD1 3.91Å; Y789-L973 HydrophobicContact CE1-CB 4.02Å; Y789-L973 HydrophobicContact CE2-CB 4.32Å; Y789-L973 WeakPolarHBondContact OH-CB 3.36Å; Y789-L973 PolarHBondContact OH-O 2.95Å; A842-L973 HydrophobicContact CB-CD2 3.49Å; A842-L973 VanDerWaalsContact CB-CD2 3.49Å; I868-L973 HydrophobicContact CD1-CD2 4.04Å; I868-L973 HydrophobicContact CD1-CG 4.37Å; V969-L973 PolarHBondContact O-N 3.31Å; V969-L973 HydrophobicContact CG1-CG 4.15Å; V969-L973 HydrophobicContact CG1-CD1 3.83Å; V969-L973 WeakPolarHBondContact O-CG 3.44Å; L970-L973 PolarHBondContact O-N 2.83Å; L973-T976 WeakPolarHBondContact CA-OG1 3.19Å; L973-T976 PolarHBondContact O-N 2.87Å; L973-T976 PolarHBondContact O-OG1 3.28Å; L973-L977 PolarHBondContact O-N 2.66Å; L973-L977 WeakPolarHBondContact O-CB 3.38Å; L973-L977 HydrophobicContact CD2-CG 4.31Å; L973-L977 HydrophobicContact CD2-CD1 3.94Å
974	E	92.3	Very high	86.3	Confident	18 Å²	18	31.8 Å²	31.8	8%	0.084	18%	0.18	C	C	.	.	I	π-helix	trans	-67.2	-43.4	176.7	-165.6	-173.2	-118.9	0	0	110.7	N13 F18 Y789 L970 N971 F972 T976 C978 K979	N13-E974 WeakPolarHBondContact CB-OE1 3.43Å; N13-E974 PolarHBondContact N-OE1 2.9Å; N13-E974 PolarHBondContact ND2-OE1 2.93Å; F18-E974 HydrophobicContact CZ-CB 4.14Å; F18-E974 HydrophobicContact CZ-CG 4.48Å; Y789-E974 WeakPolarHBondContact OH-CA 3.35Å; Y789-E974 PolarHBondContact OH-N 3.07Å; Y789-E974 VanDerWaalsContact OH-N 3.13Å; L970-E974 WeakPolarHBondContact O-CB 3.32Å; L970-E974 PolarHBondContact O-N 3.42Å; N971-E974 PolarHBondContact O-N 3Å; F972-E974 VanDerWaalsContact C-N 3.3Å; F972-E974 PolarHBondContact O-N 3.07Å; E974-T976 VanDerWaalsContact C-N 3.29Å; E974-T976 PolarHBondContact O-N 2.83Å; E974-C978 HydrophobicContact CG-CB 4.44Å; E974-C978 WeakPolarHBondContact O-CB 3.47Å; E974-C978 PolarHBondContact O-N 3.16Å; E974-K979 PolarHBondContact O-N 3.34Å; E974-K979 VanDerWaalsContact O-N 3.16Å; E974-K979 WeakPolarHBondContact OE2-CE 3.47Å; E974-K979 IonicContact OE2-NZ 3.42Å; E974-K979 PolarHBondContact OE2-NZ 2.84Å
975	E	90.8	Very high	85.8	Confident	71 Å²	71	30.2 Å²	30.2	33%	0.332	18%	0.175	S	C	.	.	I	π-helix	trans	-64	-33	175.9	-71.3	176.8	-166.3	0	0	112.9	N971 F972	N971-E975 WeakPolarHBondContact O-CG 3.46Å; N971-E975 PolarHBondContact O-N 3.45Å; N971-E975 PolarHBondContact ND2-OE1 2.71Å; F972-E975 PolarHBondContact O-N 2.85Å
976	T	91.5	Very high	85.1	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.025	19%	0.186	C	C	.	.	I	π-helix	trans	-105.6	-31.2	-166.2	55.6	0	0	0	0	115.3	K865 V866 Y915 F972 L973 E974 S980	K865-T976 WeakPolarHBondContact CE-O 3.42Å; K865-T976 PolarHBondContact NZ-O 3.25Å; V866-T976 HydrophobicContact CG2-CG2 4.11Å; Y915-T976 VanDerWaalsContact CB-CG2 3.48Å; Y915-T976 HydrophobicContact CD1-CG2 3.91Å; Y915-T976 HydrophobicContact CG-CG2 3.86Å; F972-T976 WeakPolarHBondContact O-CG2 3.43Å; F972-T976 PolarHBondContact O-OG1 3.26Å; F972-T976 PolarHBondContact O-N 3.22Å; F972-T976 WeakPolarHBondContact O-CB 3.27Å; F972-T976 HydrophobicContact CZ-CG2 4.28Å; F972-T976 HydrophobicContact CE2-CG2 4.26Å; F972-T976 HydrophobicContact CE1-CG2 4.4Å; F972-T976 HydrophobicContact CD2-CG2 4.36Å; F972-T976 HydrophobicContact CD1-CG2 4.48Å; F972-T976 HydrophobicContact CG-CG2 4.48Å; L973-T976 WeakPolarHBondContact CA-OG1 3.19Å; L973-T976 PolarHBondContact O-N 2.87Å; L973-T976 PolarHBondContact O-OG1 3.28Å; E974-T976 VanDerWaalsContact C-N 3.29Å; E974-T976 PolarHBondContact O-N 2.83Å; T976-S980 PolarHBondContact O-OG 3.41Å
977	L	90	Very high	84.5	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.193	C	C	.	.	I	π-helix	trans	-106.3	-22.4	180	-58.8	-171.2	0	0	0	112.9	P755 Y789 R840 A842 K865 V866 L973	P755-L977 HydrophobicContact CB-CB 4.31Å; P755-L977 HydrophobicContact CB-CD1 4.34Å; Y789-L977 HydrophobicContact CD1-CD1 4.18Å; Y789-L977 HydrophobicContact CE1-CB 4.07Å; Y789-L977 HydrophobicContact CE1-CD1 3.9Å; R840-L977 HydrophobicContact CB-CD2 4.36Å; R840-L977 WeakPolarHBondContact CD-O 3.48Å; A842-L977 HydrophobicContact CB-CD1 3.99Å; K865-L977 HydrophobicContact CB-CD2 4.18Å; K865-L977 HydrophobicContact CD-CD2 3.95Å; K865-L977 HydrophobicContact CG-CD2 4.34Å; V866-L977 HydrophobicContact CG2-CD2 4.42Å; L973-L977 PolarHBondContact O-N 2.66Å; L973-L977 WeakPolarHBondContact O-CB 3.38Å; L973-L977 HydrophobicContact CD2-CG 4.31Å; L973-L977 HydrophobicContact CD2-CD1 3.94Å
978	C	80.1	Confident	83.6	Confident	33 Å²	33	35.6 Å²	35.6	22%	0.223	21%	0.207	C	C	.	.	I	π-helix	trans	-105.2	-42.6	-176.6	-58.2	0	0	0	0	113.6	L740 Y789 E974	L740-C978 WeakPolarHBondContact CD1-SG 3.39Å; L740-C978 HydrophobicContact CD2-CB 4.47Å; Y789-C978 PolarHBondContact OH-SG 3.46Å; Y789-C978 VanDerWaalsContact OH-SG 3.33Å; E974-C978 HydrophobicContact CG-CB 4.44Å; E974-C978 WeakPolarHBondContact O-CB 3.47Å; E974-C978 PolarHBondContact O-N 3.16Å
979	K	66.2	Low	82.5	Confident	102 Å²	102	37.1 Å²	37.1	44%	0.443	22%	0.215	S	C	.	.	S	Bend	trans	-86.5	-6.1	-174.6	-67.9	175.7	-173.1	155.9	0	114.7	T12 E974	T12-K979 VanDerWaalsContact CG2-CE 3.48Å; E974-K979 PolarHBondContact O-N 3.34Å; E974-K979 VanDerWaalsContact O-N 3.16Å; E974-K979 WeakPolarHBondContact OE2-CE 3.47Å; E974-K979 IonicContact OE2-NZ 3.42Å; E974-K979 PolarHBondContact OE2-NZ 2.84Å
980	S	46.8	Very low	81.3	Confident	59 Å²	59	40.1 Å²	40.1	41%	0.413	23%	0.233	S	C	.	.			trans	-110.7	26.8	-169.5	62.6	0	0	0	0	114.1	K865 T976	K865-S980 PolarHBondContact NZ-OG 3.35Å; T976-S980 PolarHBondContact O-OG 3.41Å
981	S	36.1	Very low	80	Confident	147 Å²	147	43.7 Å²	43.7	100%	1.028	25%	0.254	S	S	*	.			trans	-120.5	0	163.6	55.6	0	0	0	0	108.3

Retrieved 981 of 981 residues in 308.8 ms (Link to these results)

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