A0A3Q0KQQ5_SCHMA Loading...

Phosphoacetylglucosamine mutase

Catalyzes the conversion of GlcNAc-6-P into GlcNAc-1-P during the synthesis of uridine diphosphate/UDP-GlcNAc, a sugar nucleotide critical to multiple glycosylation pathways including protein N- and O-glycosylation.

AlphaFold DB (A0A5K4ETF5), UniProt , Accession A0A3Q0KQQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 593 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56	Low	69	Low	94 Å²	94	62.6 Å²	62.6	46%	0.463	32%	0.32	S	S	.	.				0	118.5	0	-176.8	156.6	-85.8	0	0	106.6	E5 R6 K9 H151	M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CE-CB 4.01Å; M1-E5 HydrophobicContact CG-CB 3.34Å; M1-E5 HydrophobicContact CG-CG 4.36Å; M1-E5 VanDerWaalsContact CG-OE2 3.3Å; M1-E5 WeakPolarHBondContact CG-OE2 3.25Å; M1-E5 HydrophobicContact SD-CB 3.98Å; M1-R6 HydrophobicContact CG-CG 3.93Å; M1-R6 PolarHBondContact O-NE 3.32Å; M1-R6 PolarHBondContact O-NH2 3.1Å; M1-R6 HydrophobicContact SD-CG 4.38Å; M1-K9 HydrophobicContact CE-CD 4.35Å; M1-K9 VanDerWaalsContact CE-NZ 3.29Å; M1-K9 HydrophobicContact SD-CD 3.88Å; M1-K9 PolarHBondContact SD-NZ 3.2Å; M1-H151 PolarHBondContact SD-NE2 3.38Å
2	T	69.1	Low	69.3	Low	60 Å²	60	65.8 Å²	65.8	37%	0.368	35%	0.345	S	S	.	.			trans	-65.6	157.8	178.1	64.3	0	0	0	0	109.9	D4 E5 R6	T2-D4 PolarHBondContact O-N 3.44Å; T2-E5 PolarHBondContact N-OE2 3.04Å; T2-E5 WeakPolarHBondContact O-CB 3.21Å; T2-E5 PolarHBondContact O-N 2.9Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T2-E5 WeakPolarHBondContact OG1-CG 3.26Å; T2-E5 PolarHBondContact OG1-N 3.48Å; T2-R6 WeakPolarHBondContact O-CG 3.4Å; T2-R6 PolarHBondContact O-N 3.16Å; T2-R6 VanDerWaalsContact O-N 3.13Å
3	L	66.2	Low	69.9	Low	28 Å²	28	63.8 Å²	63.8	15%	0.147	33%	0.334	C	S	.	.	H	α-helix	trans	-52.2	-39.7	174.5	-77.3	165.4	0	0	0	112.6	E5 R6 F7 F118	L3-E5 PolarHBondContact O-N 3.33Å; L3-R6 WeakPolarHBondContact O-CB 3.4Å; L3-R6 PolarHBondContact O-N 2.91Å; L3-R6 VanDerWaalsContact O-N 3.11Å; L3-F7 HydrophobicContact CB-CE2 4.13Å; L3-F7 HydrophobicContact CB-CZ 3.99Å; L3-F7 HydrophobicContact CD2-CE1 4.35Å; L3-F7 HydrophobicContact CD2-CZ 4.16Å; L3-F7 WeakPolarHBondContact O-CD1 3.49Å; L3-F7 WeakPolarHBondContact O-CD2 3.46Å; L3-F7 WeakPolarHBondContact O-CG 3.31Å; L3-F7 PolarHBondContact O-N 3.41Å; L3-F118 HydrophobicContact CD1-CB 4.22Å
4	D	67.8	Low	70.2	Confident	112 Å²	112	59.4 Å²	59.4	60%	0.599	31%	0.311	S	S	*	.	H	α-helix	trans	-61.9	-41.7	177.9	-69.7	-25.1	0	0	0	112.9	T2 R6 F7 Q8	T2-D4 PolarHBondContact O-N 3.44Å; D4-R6 VanDerWaalsContact C-N 3.3Å; D4-R6 PolarHBondContact O-N 2.99Å; D4-F7 PolarHBondContact O-N 3.44Å; D4-Q8 PolarHBondContact O-N 2.65Å
5	E	70.5	Confident	70.2	Confident	88 Å²	88	65.6 Å²	65.6	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-34.5	175.1	-71.8	173.2	155.3	0	0	111.6	M1 T2 L3 K9	M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CE-CB 4.01Å; M1-E5 HydrophobicContact CG-CB 3.34Å; M1-E5 HydrophobicContact CG-CG 4.36Å; M1-E5 VanDerWaalsContact CG-OE2 3.3Å; M1-E5 WeakPolarHBondContact CG-OE2 3.25Å; M1-E5 HydrophobicContact SD-CB 3.98Å; T2-E5 PolarHBondContact N-OE2 3.04Å; T2-E5 WeakPolarHBondContact O-CB 3.21Å; T2-E5 PolarHBondContact O-N 2.9Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T2-E5 WeakPolarHBondContact OG1-CG 3.26Å; T2-E5 PolarHBondContact OG1-N 3.48Å; L3-E5 PolarHBondContact O-N 3.33Å; E5-K9 PolarHBondContact O-N 2.88Å
6	R	70.9	Confident	70.2	Confident	16 Å²	16	65.5 Å²	65.5	6%	0.06	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-42.2	172.8	-57.7	-178.6	-161.6	-175.5	10.9	110.5	M1 T2 L3 D4 K9 L10 D120 M150	M1-R6 HydrophobicContact CG-CG 3.93Å; M1-R6 PolarHBondContact O-NE 3.32Å; M1-R6 PolarHBondContact O-NH2 3.1Å; M1-R6 HydrophobicContact SD-CG 4.38Å; T2-R6 WeakPolarHBondContact O-CG 3.4Å; T2-R6 PolarHBondContact O-N 3.16Å; T2-R6 VanDerWaalsContact O-N 3.13Å; L3-R6 WeakPolarHBondContact O-CB 3.4Å; L3-R6 PolarHBondContact O-N 2.91Å; L3-R6 VanDerWaalsContact O-N 3.11Å; D4-R6 VanDerWaalsContact C-N 3.3Å; D4-R6 PolarHBondContact O-N 2.99Å; R6-K9 PolarHBondContact O-N 3.44Å; R6-L10 PolarHBondContact O-N 3.08Å; R6-D120 PolarHBondContact NH2-O 3.12Å; R6-M150 PolarHBondContact NH1-O 2.87Å
7	F	71.9	Confident	70.1	Confident	10 Å²	10	64.9 Å²	64.9	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-68.1	-34.6	-179.1	-57.8	-21.2	0	0	0	113.1	L3 D4 L10 L111 C115	L3-F7 HydrophobicContact CB-CE2 4.13Å; L3-F7 HydrophobicContact CB-CZ 3.99Å; L3-F7 HydrophobicContact CD2-CE1 4.35Å; L3-F7 HydrophobicContact CD2-CZ 4.16Å; L3-F7 WeakPolarHBondContact O-CD1 3.49Å; L3-F7 WeakPolarHBondContact O-CD2 3.46Å; L3-F7 WeakPolarHBondContact O-CG 3.31Å; L3-F7 PolarHBondContact O-N 3.41Å; D4-F7 PolarHBondContact O-N 3.44Å; F7-L10 WeakPolarHBondContact O-CB 3.46Å; F7-L10 PolarHBondContact O-N 3.15Å; F7-L111 HydrophobicContact CB-CD1 4.41Å; F7-L111 HydrophobicContact CD1-CB 3.97Å; F7-L111 HydrophobicContact CD1-CD1 3.37Å; F7-L111 HydrophobicContact CD1-CG 4.21Å; F7-L111 HydrophobicContact CD2-CB 4.21Å; F7-L111 HydrophobicContact CE1-CB 3.68Å; F7-L111 HydrophobicContact CE1-CD1 3.73Å; F7-L111 HydrophobicContact CE1-CD2 4.36Å; F7-L111 HydrophobicContact CE1-CG 4.13Å; F7-L111 HydrophobicContact CE2-CB 3.94Å; F7-L111 HydrophobicContact CG-CB 4.23Å; F7-L111 HydrophobicContact CG-CD1 3.94Å; F7-L111 HydrophobicContact CZ-CB 3.66Å; F7-C115 HydrophobicContact CZ-CB 4.05Å
8	Q	70.7	Confident	69.9	Low	150 Å²	150	71.4 Å²	71.4	70%	0.701	38%	0.376	S	S	*	.	H	α-helix	trans	-65.1	-41.7	175.2	-72.8	-177.1	-5	0	0	112.6	D4 L10 G11	D4-Q8 PolarHBondContact O-N 2.65Å; Q8-L10 PolarHBondContact O-N 2.9Å; Q8-G11 PolarHBondContact O-N 3.45Å
9	K	73.2	Confident	69.8	Low	104 Å²	104	69.3 Å²	69.3	45%	0.452	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-31.5	176.1	-75.5	-178.5	172.1	175.9	0	112.8	M1 E5 R6 T12 L13	M1-K9 HydrophobicContact CE-CD 4.35Å; M1-K9 VanDerWaalsContact CE-NZ 3.29Å; M1-K9 HydrophobicContact SD-CD 3.88Å; M1-K9 PolarHBondContact SD-NZ 3.2Å; E5-K9 PolarHBondContact O-N 2.88Å; R6-K9 PolarHBondContact O-N 3.44Å; K9-T12 PolarHBondContact O-N 3.27Å; K9-L13 PolarHBondContact O-N 2.95Å
10	L	72.8	Confident	69.3	Low	1 Å²	1	69.8 Å²	69.8	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-66.8	-39.7	-177.6	-170.1	145.7	0	0	0	112.1	R6 F7 Q8 T12 L13 L14 I48 I107 L111 V149	R6-L10 PolarHBondContact O-N 3.08Å; F7-L10 WeakPolarHBondContact O-CB 3.46Å; F7-L10 PolarHBondContact O-N 3.15Å; Q8-L10 PolarHBondContact O-N 2.9Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 3.2Å; L10-L14 HydrophobicContact CD2-CD1 3.44Å; L10-L14 VanDerWaalsContact CD2-CD1 3.44Å; L10-L14 HydrophobicContact CD2-CG 4.26Å; L10-L14 HydrophobicContact CG-CD1 4.2Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 2.77Å; L10-I48 HydrophobicContact CD1-CD1 3.32Å; L10-I48 HydrophobicContact CD1-CG1 3.88Å; L10-I48 HydrophobicContact CD1-CG2 4.23Å; L10-I48 HydrophobicContact CG-CD1 3.98Å; L10-I107 HydrophobicContact CD2-CB 4.17Å; L10-I107 HydrophobicContact CD2-CD1 4.13Å; L10-I107 HydrophobicContact CD2-CG2 3.32Å; L10-L111 HydrophobicContact CD1-CD1 3.88Å; L10-L111 HydrophobicContact CD2-CD1 4.35Å; L10-V149 HydrophobicContact CB-CG1 3.97Å; L10-V149 HydrophobicContact CD1-CG1 4.09Å; L10-V149 HydrophobicContact CG-CG1 4.41Å
11	G	70.3	Confident	68.9	Low	26 Å²	26	70.5 Å²	70.5	27%	0.268	37%	0.374	S	S	.	.	H	α-helix	trans	-58.4	-43.3	173.8	0	0	0	0	0	112.4	Q8 Q15	Q8-G11 PolarHBondContact O-N 3.45Å; G11-Q15 WeakPolarHBondContact O-CG 3.12Å; G11-Q15 PolarHBondContact O-N 2.74Å
12	T	72.6	Confident	69.2	Low	101 Å²	101	68.1 Å²	68.1	62%	0.62	37%	0.367	S	S	*	.	H	α-helix	trans	-66.4	-40.9	176.3	-51.7	0	0	0	0	112.4	K9 L10	K9-T12 PolarHBondContact O-N 3.27Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 PolarHBondContact O-N 3.46Å
13	L	76.9	Confident	68.7	Low	40 Å²	40	70.5 Å²	70.5	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-45.2	178.5	-180	63.3	0	0	0	111.5	K9 L10 G16 F17 I44 Q145 V149	K9-L13 PolarHBondContact O-N 2.95Å; L10-L13 PolarHBondContact O-N 3.2Å; L13-G16 PolarHBondContact O-N 2.95Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-I44 HydrophobicContact CD2-CG2 3.61Å; L13-I44 HydrophobicContact CG-CD1 4.36Å; L13-I44 HydrophobicContact CG-CG2 4.27Å; L13-Q145 HydrophobicContact CD2-CB 4.23Å; L13-V149 HydrophobicContact CD2-CG2 3.61Å
14	L	74.4	Confident	68.6	Low	2 Å²	2	75.5 Å²	75.5	1%	0.01	41%	0.412	C	S	.	.	H	α-helix	trans	-75.3	-23.1	-175.6	-67.6	178.2	0	0	0	113.9	L10 G16 F17 I44 R45 I107	L10-L14 HydrophobicContact CD2-CD1 3.44Å; L10-L14 VanDerWaalsContact CD2-CD1 3.44Å; L10-L14 HydrophobicContact CD2-CG 4.26Å; L10-L14 HydrophobicContact CG-CD1 4.2Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 2.77Å; L14-G16 PolarHBondContact O-N 2.75Å; L14-F17 CarbonylContact O-C 3.52Å; L14-F17 PolarHBondContact O-N 3.05Å; L14-F17 VanDerWaalsContact O-O 3.11Å; L14-I44 HydrophobicContact CD2-CB 4.32Å; L14-I44 HydrophobicContact CD2-CG2 3.95Å; L14-R45 HydrophobicContact CD1-CG 4.44Å; L14-R45 HydrophobicContact CD2-CG 4.06Å; L14-I107 HydrophobicContact CD1-CD1 3.13Å
15	Q	70	Confident	69	Low	152 Å²	152	70.7 Å²	70.7	71%	0.71	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.3	172.5	-80.5	173	11	0	0	113.2	G11	G11-Q15 WeakPolarHBondContact O-CG 3.12Å; G11-Q15 PolarHBondContact O-N 2.74Å
16	G	69.2	Low	69.6	Low	64 Å²	64	70.3 Å²	70.3	66%	0.66	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.4	174.8	0	0	0	0	0	115.1	L13 L14	L13-G16 PolarHBondContact O-N 2.95Å; L14-G16 PolarHBondContact O-N 2.75Å
17	F	69.4	Low	70.4	Confident	56 Å²	56	70.6 Å²	70.6	25%	0.246	40%	0.395	C	S	.	.			trans	-132	100.5	-170.7	-63.5	-92.1	0	0	0	110.9	L13 L14 I19 I44 E142	L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L14-F17 CarbonylContact O-C 3.52Å; L14-F17 PolarHBondContact O-N 3.05Å; L14-F17 VanDerWaalsContact O-O 3.11Å; F17-I19 PolarHBondContact O-N 3.17Å; F17-I44 HydrophobicContact CB-CD1 4.48Å; F17-I44 HydrophobicContact CD1-CD1 4.09Å; F17-I44 HydrophobicContact CD2-CD1 3.33Å; F17-I44 HydrophobicContact CE1-CD1 4.12Å; F17-I44 HydrophobicContact CE2-CD1 3.38Å; F17-I44 HydrophobicContact CG-CD1 3.72Å; F17-I44 HydrophobicContact CZ-CD1 3.79Å; F17-E142 HydrophobicContact CE1-CG 4.19Å; F17-E142 WeakPolarHBondContact CE1-OE1 3.19Å; F17-E142 HydrophobicContact CZ-CG 4.49Å
18	K	65.7	Low	71	Confident	181 Å²	181	71.3 Å²	71.3	79%	0.787	41%	0.405	S	S	*	.			trans	-82.6	113	171.3	-70.1	-172.3	178.9	-177.9	0	110	T20	K18-T20 PolarHBondContact O-N 3.33Å; K18-T20 VanDerWaalsContact O-N 3.09Å
19	I	68.7	Low	71.5	Confident	31 Å²	31	67.2 Å²	67.2	16%	0.159	39%	0.39	C	S	.	.			trans	-66.3	108	165.3	-59.5	177	0	0	0	107.2	F17 L25 V42 R45	F17-I19 PolarHBondContact O-N 3.17Å; I19-L25 HydrophobicContact CG2-CD1 3.98Å; I19-V42 HydrophobicContact CD1-CG2 4.31Å; I19-V42 HydrophobicContact CG1-CG2 4.31Å; I19-V42 HydrophobicContact CG2-CG2 4.06Å; I19-R45 HydrophobicContact CD1-CG 4.47Å
20	T	59.5	Low	71.9	Confident	79 Å²	79	64.4 Å²	64.4	49%	0.485	39%	0.387	S	S	.	.			trans	-83.3	144.7	174.4	50.4	0	0	0	0	109.3	K18 S22	K18-T20 PolarHBondContact O-N 3.33Å; K18-T20 VanDerWaalsContact O-N 3.09Å; T20-S22 PolarHBondContact O-N 3.41Å
21	D	61.9	Low	72.9	Confident	85 Å²	85	64.7 Å²	64.7	46%	0.455	39%	0.39	S	S	.	.			trans	60.6	36.8	174.5	-56.6	-26.3	0	0	0	117	S23 L24 K38	D21-S23 PolarHBondContact O-N 3.49Å; D21-S23 VanDerWaalsContact O-N 3.08Å; D21-L24 HydrophobicContact CB-CD1 4.46Å; D21-L24 PolarHBondContact O-N 3.01Å; D21-L24 VanDerWaalsContact O-N 3.1Å; D21-K38 IonicContact OD2-NZ 3.43Å; D21-K38 PolarHBondContact OD2-NZ 2.92Å
22	S	61	Low	73.9	Confident	44 Å²	44	63.5 Å²	63.5	31%	0.308	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-55.4	-30.8	-177.1	67.5	0	0	0	0	114.8	T20 L24 L25 N101	T20-S22 PolarHBondContact O-N 3.41Å; S22-L24 PolarHBondContact O-N 2.79Å; S22-L24 VanDerWaalsContact O-N 3.09Å; S22-L25 WeakPolarHBondContact O-CB 3.32Å; S22-L25 PolarHBondContact O-N 3.28Å; S22-L25 VanDerWaalsContact O-N 3.13Å; S22-N101 WeakPolarHBondContact CB-OD1 3.24Å; S22-N101 PolarHBondContact O-OD1 2.76Å
23	S	59.4	Low	74.9	Confident	111 Å²	111	61.3 Å²	61.3	78%	0.776	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-64.8	-13.7	179.9	56	0	0	0	0	114.8	D21	D21-S23 PolarHBondContact O-N 3.49Å; D21-S23 VanDerWaalsContact O-N 3.08Å
24	L	63.6	Low	75.5	Confident	132 Å²	132	61.2 Å²	61.2	69%	0.691	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-100	-1.5	178.6	-65.6	172	0	0	0	113.2	D21 S22 S26	D21-L24 HydrophobicContact CB-CD1 4.46Å; D21-L24 PolarHBondContact O-N 3.01Å; D21-L24 VanDerWaalsContact O-N 3.1Å; S22-L24 PolarHBondContact O-N 2.79Å; S22-L24 VanDerWaalsContact O-N 3.09Å; L24-S26 PolarHBondContact O-N 3.41Å
25	L	76	Confident	76.4	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.063	37%	0.373	C	S	.	.			trans	-80.8	107.6	-176.3	-65	175.2	0	0	0	111.2	I19 S22 F32 L34 V42 I100	I19-L25 HydrophobicContact CG2-CD1 3.98Å; S22-L25 WeakPolarHBondContact O-CB 3.32Å; S22-L25 PolarHBondContact O-N 3.28Å; S22-L25 VanDerWaalsContact O-N 3.13Å; L25-F32 HydrophobicContact CB-CE1 4.32Å; L25-L34 HydrophobicContact CD2-CD1 3.27Å; L25-L34 HydrophobicContact CD2-CD2 4.36Å; L25-L34 HydrophobicContact CD2-CG 4.08Å; L25-V42 HydrophobicContact CD1-CG2 4.25Å; L25-I100 HydrophobicContact CD1-CG2 3.46Å; L25-I100 VanDerWaalsContact CD1-CG2 3.46Å
26	S	83.5	Confident	77.5	Confident	80 Å²	80	57.3 Å²	57.3	56%	0.559	35%	0.346	S	S	*	.			trans	-102.1	146.1	165.6	61.7	0	0	0	0	110.7	L24	L24-S26 PolarHBondContact O-N 3.41Å
27	Y	87.9	Confident	78.5	Confident	21 Å²	21	60.8 Å²	60.8	8%	0.082	35%	0.35	C	S	.	.			trans	-114	138.7	169.5	-167	-82.7	0	0	0	109.3	F32 L80 L88 E93 V96	Y27-F32 HydrophobicContact CD2-CD1 4.07Å; Y27-F32 AromaticContact CD2-CD2 3.61Å; Y27-F32 HydrophobicContact CD2-CD2 3.61Å; Y27-F32 AromaticContact CD2-CE1 3.94Å; Y27-F32 HydrophobicContact CD2-CE1 3.94Å; Y27-F32 AromaticContact CD2-CE2 3.45Å; Y27-F32 HydrophobicContact CD2-CE2 3.45Å; Y27-F32 VanDerWaalsContact CD2-CE2 3.45Å; Y27-F32 AromaticContact CD2-CG 3.9Å; Y27-F32 HydrophobicContact CD2-CG 3.9Å; Y27-F32 AromaticContact CD2-CZ 3.61Å; Y27-F32 HydrophobicContact CD2-CZ 3.61Å; Y27-F32 AromaticContact CE2-CD2 3.92Å; Y27-F32 HydrophobicContact CE2-CD2 3.92Å; Y27-F32 AromaticContact CE2-CE2 3.95Å; Y27-F32 HydrophobicContact CE2-CE2 3.95Å; Y27-F32 HydrophobicContact CE2-CG 4.48Å; Y27-F32 HydrophobicContact CG-CE1 4.48Å; Y27-F32 HydrophobicContact CG-CZ 4.33Å; Y27-L80 WeakPolarHBondContact OH-CB 3.42Å; Y27-L80 PolarHBondContact OH-N 3.09Å; Y27-L88 HydrophobicContact CD1-CD2 4.34Å; Y27-L88 HydrophobicContact CE1-CB 4.41Å; Y27-L88 HydrophobicContact CE1-CD2 3.65Å; Y27-E93 HydrophobicContact CD1-CB 4.15Å; Y27-E93 HydrophobicContact CD1-CG 3.86Å; Y27-E93 HydrophobicContact CE1-CG 4.32Å; Y27-V96 HydrophobicContact CD2-CG1 3.79Å; Y27-V96 HydrophobicContact CE2-CG1 4.15Å; Y27-V96 HydrophobicContact CG-CG1 4.08Å
28	G	84	Confident	79.5	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-163.2	-149.9	176.3	0	0	0	0	0	111.2	A30 G31	G28-A30 PolarHBondContact O-N 2.78Å; G28-A30 VanDerWaalsContact O-N 3.15Å; G28-G31 WeakPolarHBondContact O-CA 3.48Å; G28-G31 PolarHBondContact O-N 3.07Å
29	T	81.3	Confident	80.7	Confident	64 Å²	64	53 Å²	53	39%	0.393	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.4	178.6	-52.8	0	0	0	0	113.8	G31 M87 V399	T29-G31 PolarHBondContact O-N 2.79Å; T29-M87 HydrophobicContact CG2-SD 3.98Å; T29-V399 HydrophobicContact CG2-CG2 3.54Å
30	A	82.9	Confident	81.4	Confident	46 Å²	46	52.7 Å²	52.7	38%	0.38	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.7	178	0	0	0	0	0	113.9	G28 K79	G28-A30 PolarHBondContact O-N 2.78Å; G28-A30 VanDerWaalsContact O-N 3.15Å; A30-K79 WeakPolarHBondContact O-CG 3.3Å
31	G	92	Very high	82.7	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	68.3	-150.1	-165.2	0	0	0	0	0	111.4	G28 T29 M78	G28-G31 WeakPolarHBondContact O-CA 3.48Å; G28-G31 PolarHBondContact O-N 3.07Å; T29-G31 PolarHBondContact O-N 2.79Å; G31-M78 VanDerWaalsContact CA-O 3.32Å; G31-M78 WeakPolarHBondContact CA-O 3.2Å
32	F	92.7	Very high	84.1	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.7	161.6	-67.7	-63.3	0	0	0	109.4	L25 Y27 L39 V42 L46 G77 M78 V96 I100	L25-F32 HydrophobicContact CB-CE1 4.32Å; Y27-F32 HydrophobicContact CD2-CD1 4.07Å; Y27-F32 AromaticContact CD2-CD2 3.61Å; Y27-F32 HydrophobicContact CD2-CD2 3.61Å; Y27-F32 AromaticContact CD2-CE1 3.94Å; Y27-F32 HydrophobicContact CD2-CE1 3.94Å; Y27-F32 AromaticContact CD2-CE2 3.45Å; Y27-F32 HydrophobicContact CD2-CE2 3.45Å; Y27-F32 VanDerWaalsContact CD2-CE2 3.45Å; Y27-F32 AromaticContact CD2-CG 3.9Å; Y27-F32 HydrophobicContact CD2-CG 3.9Å; Y27-F32 AromaticContact CD2-CZ 3.61Å; Y27-F32 HydrophobicContact CD2-CZ 3.61Å; Y27-F32 AromaticContact CE2-CD2 3.92Å; Y27-F32 HydrophobicContact CE2-CD2 3.92Å; Y27-F32 AromaticContact CE2-CE2 3.95Å; Y27-F32 HydrophobicContact CE2-CE2 3.95Å; Y27-F32 HydrophobicContact CE2-CG 4.48Å; Y27-F32 HydrophobicContact CG-CE1 4.48Å; Y27-F32 HydrophobicContact CG-CZ 4.33Å; F32-L39 HydrophobicContact CB-CD2 4.41Å; F32-V42 HydrophobicContact CD2-CG1 3.87Å; F32-V42 HydrophobicContact CE2-CG1 4.18Å; F32-V42 HydrophobicContact CG-CG1 4.17Å; F32-L46 HydrophobicContact CD2-CD1 4.4Å; F32-L46 HydrophobicContact CE2-CD1 4.09Å; F32-G77 CarbonylContact O-C 3.53Å; F32-G77 WeakPolarHBondContact O-CA 3.42Å; F32-M78 PolarHBondContact N-O 3.09Å; F32-M78 PolarHBondContact O-N 2.86Å; F32-V96 HydrophobicContact CE2-CG1 3.64Å; F32-V96 HydrophobicContact CZ-CG1 3.59Å; F32-I100 HydrophobicContact CE1-CG1 4.33Å; F32-I100 HydrophobicContact CE1-CG2 4.44Å; F32-I100 HydrophobicContact CE2-CD1 4.36Å; F32-I100 HydrophobicContact CE2-CG1 3.66Å; F32-I100 HydrophobicContact CZ-CB 4.03Å; F32-I100 HydrophobicContact CZ-CG1 3.38Å; F32-I100 HydrophobicContact CZ-CG2 4.25Å
33	R	92.2	Very high	85.7	Confident	56 Å²	56	42.8 Å²	42.8	21%	0.211	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	117.3	179.3	-174.5	59	54.3	103.8	-11.8	110.5	T67 A68 N71 N76	R33-T67 PolarHBondContact NH2-O 3.41Å; R33-A68 VanDerWaalsContact CD-CB 3.49Å; R33-A68 VanDerWaalsContact CZ-C 3.48Å; R33-A68 VanDerWaalsContact NE-CB 3.31Å; R33-A68 VanDerWaalsContact NH1-CB 3.29Å; R33-A68 PolarHBondContact NH1-O 3.49Å; R33-A68 VanDerWaalsContact NH2-C 3.31Å; R33-N71 PolarHBondContact NH1-OD1 3.49Å; R33-N76 WeakPolarHBondContact CD-O 3.46Å
34	L	90.9	Very high	87.3	Confident	37 Å²	37	37.5 Å²	37.5	19%	0.194	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	168.7	-176.8	-70.5	176.1	0	0	0	110.7	L25 A36 K38 L39 D75 N76	L25-L34 HydrophobicContact CD2-CD1 3.27Å; L25-L34 HydrophobicContact CD2-CD2 4.36Å; L25-L34 HydrophobicContact CD2-CG 4.08Å; L34-A36 PolarHBondContact O-N 3.36Å; L34-K38 HydrophobicContact CB-CB 4.35Å; L34-K38 HydrophobicContact CD1-CB 3.98Å; L34-L39 HydrophobicContact CB-CD2 4Å; L34-L39 HydrophobicContact CB-CG 4.16Å; L34-L39 HydrophobicContact CD1-CD2 3.91Å; L34-L39 HydrophobicContact CG-CD2 4.25Å; L34-D75 WeakPolarHBondContact O-CA 3.46Å; L34-N76 PolarHBondContact N-O 3.19Å; L34-N76 PolarHBondContact O-N 2.77Å
35	P	92.9	Very high	88.7	Confident	54 Å²	54	31.6 Å²	31.6	35%	0.351	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	135.4	154.4	-27.4	37.2	0	0	0	110.8	D37 K38	P35-D37 VanDerWaalsContact C-N 3.27Å; P35-D37 VanDerWaalsContact CB-OD1 3.25Å; P35-D37 WeakPolarHBondContact CB-OD1 3.15Å; P35-D37 PolarHBondContact O-N 2.66Å; P35-K38 WeakPolarHBondContact O-CB 3.5Å; P35-K38 PolarHBondContact O-N 2.92Å
36	A	93.5	Very high	89.6	Confident	18 Å²	18	31 Å²	31	15%	0.149	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63	-31.9	-168.4	0	0	0	0	0	113.8	L34 K38 L39 C74 N76 S135	L34-A36 PolarHBondContact O-N 3.36Å; A36-K38 PolarHBondContact O-N 2.73Å; A36-L39 PolarHBondContact O-N 3.45Å; A36-L39 VanDerWaalsContact O-N 3.16Å; A36-C74 VanDerWaalsContact CB-O 3.31Å; A36-C74 WeakPolarHBondContact CB-O 3.38Å; A36-C74 PolarHBondContact N-O 3.02Å; A36-N76 HydrophobicContact CB-CB 4.02Å; A36-S135 WeakPolarHBondContact CB-OG 3.22Å
37	D	90.8	Very high	90.2	Very high	138 Å²	138	27.2 Å²	27.2	74%	0.738	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-65.2	-16.5	177.1	65.6	-29.5	0	0	0	113.5	P35	P35-D37 VanDerWaalsContact C-N 3.27Å; P35-D37 VanDerWaalsContact CB-OD1 3.25Å; P35-D37 WeakPolarHBondContact CB-OD1 3.15Å; P35-D37 PolarHBondContact O-N 2.66Å
38	K	89.9	Confident	90.5	Very high	74 Å²	74	26.2 Å²	26.2	32%	0.322	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-94.2	-2.6	176	-61.4	-165.1	173.8	-157.1	0	114.5	D21 L34 P35 A36	D21-K38 IonicContact OD2-NZ 3.43Å; D21-K38 PolarHBondContact OD2-NZ 2.92Å; L34-K38 HydrophobicContact CB-CB 4.35Å; L34-K38 HydrophobicContact CD1-CB 3.98Å; P35-K38 WeakPolarHBondContact O-CB 3.5Å; P35-K38 PolarHBondContact O-N 2.92Å; A36-K38 PolarHBondContact O-N 2.73Å
39	L	90.6	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.			trans	-92.3	-6.5	-177.6	-68.8	171.6	0	0	0	114.2	F32 L34 A36 G41 V42 A43 N76 M78 L139	F32-L39 HydrophobicContact CB-CD2 4.41Å; L34-L39 HydrophobicContact CB-CD2 4Å; L34-L39 HydrophobicContact CB-CG 4.16Å; L34-L39 HydrophobicContact CD1-CD2 3.91Å; L34-L39 HydrophobicContact CG-CD2 4.25Å; A36-L39 PolarHBondContact O-N 3.45Å; A36-L39 VanDerWaalsContact O-N 3.16Å; L39-G41 PolarHBondContact O-N 2.85Å; L39-V42 WeakPolarHBondContact O-CB 3.29Å; L39-V42 PolarHBondContact O-N 3.3Å; L39-A43 PolarHBondContact O-N 2.93Å; L39-N76 VanDerWaalsContact CD1-C 3.46Å; L39-N76 HydrophobicContact CD1-CB 3.77Å; L39-N76 WeakPolarHBondContact CD1-O 3.38Å; L39-M78 HydrophobicContact CB-CE 4.07Å; L39-M78 HydrophobicContact CD1-CE 4.49Å; L39-M78 HydrophobicContact CD2-CE 3.9Å; L39-M78 HydrophobicContact CG-CE 4.38Å; L39-L139 HydrophobicContact CB-CD1 4.37Å; L39-L139 HydrophobicContact CB-CD2 3.74Å; L39-L139 HydrophobicContact CD1-CD1 4.09Å
40	G	82.5	Confident	91.8	Very high	23 Å²	23	22 Å²	22	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.5	174.9	0	0	0	0	0	111.8	V42 E142	G40-V42 PolarHBondContact O-N 3.15Å; G40-V42 VanDerWaalsContact O-N 3.09Å; G40-E142 WeakPolarHBondContact CA-OE2 3.41Å
41	G	87.9	Confident	92.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-32.4	-175.3	0	0	0	0	0	114.5	L39 A43 I44 R45 E142	L39-G41 PolarHBondContact O-N 2.85Å; G41-A43 VanDerWaalsContact C-N 3.28Å; G41-A43 PolarHBondContact O-N 3.05Å; G41-I44 PolarHBondContact O-N 3.01Å; G41-R45 PolarHBondContact O-N 2.84Å; G41-E142 PolarHBondContact N-OE2 3.36Å
42	V	91.5	Very high	92.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-41.1	171.1	-178.5	0	0	0	0	109.7	I19 L25 F32 L39 G40 I44 R45 L46 M78 I100	I19-V42 HydrophobicContact CD1-CG2 4.31Å; I19-V42 HydrophobicContact CG1-CG2 4.31Å; I19-V42 HydrophobicContact CG2-CG2 4.06Å; L25-V42 HydrophobicContact CD1-CG2 4.25Å; F32-V42 HydrophobicContact CD2-CG1 3.87Å; F32-V42 HydrophobicContact CE2-CG1 4.18Å; F32-V42 HydrophobicContact CG-CG1 4.17Å; L39-V42 WeakPolarHBondContact O-CB 3.29Å; L39-V42 PolarHBondContact O-N 3.3Å; G40-V42 PolarHBondContact O-N 3.15Å; G40-V42 VanDerWaalsContact O-N 3.09Å; V42-I44 PolarHBondContact O-N 3.01Å; V42-R45 PolarHBondContact O-N 3.26Å; V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.29Å; V42-M78 HydrophobicContact CB-CE 4.08Å; V42-M78 HydrophobicContact CG1-CE 3.87Å; V42-I100 HydrophobicContact CG1-CD1 4.18Å; V42-I100 HydrophobicContact CG1-CG1 4.49Å; V42-I100 HydrophobicContact CG1-CG2 4.31Å; V42-I100 HydrophobicContact CG2-CG2 4.43Å
43	A	94.2	Very high	92.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-43.2	179.1	0	0	0	0	0	112.8	L39 G41 R45 L46 G47 M78 L139 E142 V143	L39-A43 PolarHBondContact O-N 2.93Å; G41-A43 VanDerWaalsContact C-N 3.28Å; G41-A43 PolarHBondContact O-N 3.05Å; A43-R45 PolarHBondContact O-N 3.33Å; A43-L46 PolarHBondContact O-N 2.7Å; A43-G47 PolarHBondContact O-N 2.71Å; A43-M78 HydrophobicContact CB-CE 3.91Å; A43-M78 HydrophobicContact CB-SD 3.56Å; A43-M78 VanDerWaalsContact CB-SD 3.56Å; A43-L139 HydrophobicContact CB-CB 4.46Å; A43-L139 HydrophobicContact CB-CD2 4.05Å; A43-E142 HydrophobicContact CB-CB 3.6Å; A43-V143 HydrophobicContact CB-CG2 4.03Å; A43-V143 WeakPolarHBondContact O-CA 3.35Å; A43-V143 WeakPolarHBondContact O-CG2 3.5Å
44	I	92.9	Very high	92.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.4	-50.9	175.4	-58.3	-179.9	0	0	0	110.4	L13 L14 F17 G41 V42 L46 G47 I48 E142 G146	L13-I44 HydrophobicContact CD2-CG2 3.61Å; L13-I44 HydrophobicContact CG-CD1 4.36Å; L13-I44 HydrophobicContact CG-CG2 4.27Å; L14-I44 HydrophobicContact CD2-CB 4.32Å; L14-I44 HydrophobicContact CD2-CG2 3.95Å; F17-I44 HydrophobicContact CB-CD1 4.48Å; F17-I44 HydrophobicContact CD1-CD1 4.09Å; F17-I44 HydrophobicContact CD2-CD1 3.33Å; F17-I44 HydrophobicContact CE1-CD1 4.12Å; F17-I44 HydrophobicContact CE2-CD1 3.38Å; F17-I44 HydrophobicContact CG-CD1 3.72Å; F17-I44 HydrophobicContact CZ-CD1 3.79Å; G41-I44 PolarHBondContact O-N 3.01Å; V42-I44 PolarHBondContact O-N 3.01Å; I44-L46 VanDerWaalsContact C-N 3.26Å; I44-L46 PolarHBondContact O-N 3.03Å; I44-G47 PolarHBondContact O-N 2.74Å; I44-G47 VanDerWaalsContact O-N 3.17Å; I44-I48 HydrophobicContact CG2-CD1 4.13Å; I44-I48 PolarHBondContact O-N 3.33Å; I44-I48 VanDerWaalsContact O-N 3.15Å; I44-E142 WeakPolarHBondContact CA-O 3.33Å; I44-E142 HydrophobicContact CD1-CG 4.36Å; I44-E142 HydrophobicContact CG1-CB 3.69Å; I44-E142 HydrophobicContact CG1-CG 3.98Å; I44-G146 WeakPolarHBondContact O-CA 3.21Å
45	R	92.6	Very high	93	Very high	9 Å²	9	16.2 Å²	16.2	3%	0.034	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-32.6	179.9	-68.5	-168.6	-175.1	-167.6	7.1	112.2	L14 I19 G41 V42 A43 I48 L49 F99 I100 C102 D104	L14-R45 HydrophobicContact CD1-CG 4.44Å; L14-R45 HydrophobicContact CD2-CG 4.06Å; I19-R45 HydrophobicContact CD1-CG 4.47Å; G41-R45 PolarHBondContact O-N 2.84Å; V42-R45 PolarHBondContact O-N 3.26Å; A43-R45 PolarHBondContact O-N 3.33Å; R45-I48 WeakPolarHBondContact O-CB 3.39Å; R45-I48 PolarHBondContact O-N 3.3Å; R45-L49 WeakPolarHBondContact O-CG 3.27Å; R45-L49 PolarHBondContact O-N 3.25Å; R45-F99 HydrophobicContact CB-CD1 4.02Å; R45-F99 HydrophobicContact CB-CE1 3.74Å; R45-F99 HydrophobicContact CG-CE1 4.08Å; R45-F99 PolarHBondContact NH1-O 2.94Å; R45-F99 WeakPolarHBondContact O-CE1 3.23Å; R45-I100 HydrophobicContact CB-CD1 3.37Å; R45-I100 HydrophobicContact CG-CD1 4.38Å; R45-I100 PolarHBondContact NH1-O 3.04Å; R45-C102 VanDerWaalsContact CZ-O 3.3Å; R45-C102 PolarHBondContact NH1-O 2.86Å; R45-C102 PolarHBondContact NH2-O 2.82Å; R45-D104 IonicContact CZ-OD1 3.92Å; R45-D104 IonicContact NH2-OD1 3.78Å; R45-D104 PolarHBondContact NH2-OD1 2.99Å
46	L	95.2	Very high	93	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.4	-39.2	174.7	-162.9	68.9	0	0	0	112.2	F32 V42 A43 I44 I48 L49 A50 I64 M78 L80	F32-L46 HydrophobicContact CD2-CD1 4.4Å; F32-L46 HydrophobicContact CE2-CD1 4.09Å; V42-L46 WeakPolarHBondContact O-CB 3.37Å; V42-L46 PolarHBondContact O-N 3.29Å; A43-L46 PolarHBondContact O-N 2.7Å; I44-L46 VanDerWaalsContact C-N 3.26Å; I44-L46 PolarHBondContact O-N 3.03Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 2.69Å; L46-L49 HydrophobicContact CD1-CD1 4.42Å; L46-L49 PolarHBondContact O-N 2.91Å; L46-A50 PolarHBondContact O-N 3.14Å; L46-I64 HydrophobicContact CD2-CG2 4.01Å; L46-I64 HydrophobicContact CG-CD1 4.3Å; L46-M78 HydrophobicContact CD2-CB 3.33Å; L46-M78 HydrophobicContact CD2-CG 4.22Å; L46-M78 HydrophobicContact CD2-SD 4.01Å; L46-L80 HydrophobicContact CD1-CD1 3.81Å; L46-L80 HydrophobicContact CD1-CD2 4.24Å; L46-L80 HydrophobicContact CD1-CG 3.89Å; L46-L80 HydrophobicContact CG-CD2 4.32Å; L46-L80 HydrophobicContact CG-CG 4.4Å
47	G	96.4	Very high	93	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.2	-42.7	171.9	0	0	0	0	0	112.5	A43 I44 A50 C51	A43-G47 PolarHBondContact O-N 2.71Å; I44-G47 PolarHBondContact O-N 2.74Å; I44-G47 VanDerWaalsContact O-N 3.17Å; G47-A50 PolarHBondContact O-N 2.98Å; G47-C51 PolarHBondContact O-N 3.18Å; G47-C51 PolarHBondContact O-SG 2.9Å
48	I	93.9	Very high	93	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-48.6	174	-66.9	149.3	0	0	0	110.9	L10 I44 R45 L46 A50 C51 I52 F99 L111 G146 M150	L10-I48 HydrophobicContact CD1-CD1 3.32Å; L10-I48 HydrophobicContact CD1-CG1 3.88Å; L10-I48 HydrophobicContact CD1-CG2 4.23Å; L10-I48 HydrophobicContact CG-CD1 3.98Å; I44-I48 HydrophobicContact CG2-CD1 4.13Å; I44-I48 PolarHBondContact O-N 3.33Å; I44-I48 VanDerWaalsContact O-N 3.15Å; R45-I48 WeakPolarHBondContact O-CB 3.39Å; R45-I48 PolarHBondContact O-N 3.3Å; L46-I48 VanDerWaalsContact C-N 3.31Å; L46-I48 PolarHBondContact O-N 2.69Å; I48-A50 VanDerWaalsContact C-N 3.33Å; I48-A50 PolarHBondContact O-N 3.11Å; I48-C51 WeakPolarHBondContact O-CB 3.47Å; I48-C51 PolarHBondContact O-N 3.38Å; I48-C51 VanDerWaalsContact O-N 3.14Å; I48-I52 HydrophobicContact CG2-CD1 3.94Å; I48-I52 HydrophobicContact CG2-CG1 4.49Å; I48-I52 WeakPolarHBondContact O-CG1 3.27Å; I48-I52 PolarHBondContact O-N 3Å; I48-F99 HydrophobicContact CB-CE1 4.18Å; I48-F99 HydrophobicContact CB-CZ 4.42Å; I48-F99 HydrophobicContact CG2-CE1 3.97Å; I48-F99 HydrophobicContact CG2-CZ 3.79Å; I48-L111 HydrophobicContact CG2-CD2 4.25Å; I48-G146 WeakPolarHBondContact CG1-O 3.42Å; I48-M150 HydrophobicContact CB-CG 4.23Å; I48-M150 HydrophobicContact CG1-CG 4.1Å; I48-M150 HydrophobicContact CG2-CG 3.99Å; I48-M150 HydrophobicContact CG2-SD 4Å
49	L	95.5	Very high	93.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-39.9	178.8	-80.7	167.7	0	0	0	112.8	R45 L46 C51 I52 R53 V96 F99 I100 W110	R45-L49 WeakPolarHBondContact O-CG 3.27Å; R45-L49 PolarHBondContact O-N 3.25Å; L46-L49 HydrophobicContact CD1-CD1 4.42Å; L46-L49 PolarHBondContact O-N 2.91Å; L49-C51 VanDerWaalsContact C-N 3.3Å; L49-C51 PolarHBondContact O-N 2.8Å; L49-I52 PolarHBondContact O-N 3.16Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 PolarHBondContact O-N 3.4Å; L49-V96 HydrophobicContact CD1-CB 4.27Å; L49-V96 HydrophobicContact CD1-CG1 3.99Å; L49-V96 HydrophobicContact CD1-CG2 4.23Å; L49-F99 HydrophobicContact CD1-CB 4.08Å; L49-F99 HydrophobicContact CD1-CD1 3.61Å; L49-F99 HydrophobicContact CD1-CG 4.26Å; L49-F99 HydrophobicContact CD2-CB 3.8Å; L49-F99 HydrophobicContact CD2-CD1 3.74Å; L49-F99 HydrophobicContact CD2-CG 3.88Å; L49-F99 HydrophobicContact CG-CB 4.21Å; L49-F99 HydrophobicContact CG-CD1 3.37Å; L49-F99 HydrophobicContact CG-CE1 3.98Å; L49-F99 HydrophobicContact CG-CG 4.04Å; L49-I100 HydrophobicContact CD1-CD1 4.14Å; L49-I100 HydrophobicContact CD1-CG1 4.37Å; L49-W110 HydrophobicContact CD2-CH2 3.96Å
50	A	97.4	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-38.2	176.3	0	0	0	0	0	111.7	L46 G47 I48 R53 S54 V62 I64 L80 V126	L46-A50 PolarHBondContact O-N 3.14Å; G47-A50 PolarHBondContact O-N 2.98Å; I48-A50 VanDerWaalsContact C-N 3.33Å; I48-A50 PolarHBondContact O-N 3.11Å; A50-R53 PolarHBondContact O-N 2.92Å; A50-S54 WeakPolarHBondContact O-CB 3.47Å; A50-S54 PolarHBondContact O-N 3.46Å; A50-V62 HydrophobicContact CB-CG1 4.08Å; A50-I64 HydrophobicContact CB-CD1 3.58Å; A50-I64 HydrophobicContact CB-CG1 3.93Å; A50-L80 HydrophobicContact CB-CD2 3.8Å; A50-V126 HydrophobicContact CB-CG1 4.11Å; A50-V126 HydrophobicContact CB-CG2 3.76Å
51	C	95.1	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63	-46	172.1	-69.1	0	0	0	0	112	G47 I48 L49 R53 S54 L55 P124 M150	G47-C51 PolarHBondContact O-N 3.18Å; G47-C51 PolarHBondContact O-SG 2.9Å; I48-C51 WeakPolarHBondContact O-CB 3.47Å; I48-C51 PolarHBondContact O-N 3.38Å; I48-C51 VanDerWaalsContact O-N 3.14Å; L49-C51 VanDerWaalsContact C-N 3.3Å; L49-C51 PolarHBondContact O-N 2.8Å; C51-R53 VanDerWaalsContact C-N 3.33Å; C51-R53 PolarHBondContact O-N 2.91Å; C51-S54 WeakPolarHBondContact O-CB 3.36Å; C51-S54 PolarHBondContact O-N 3.22Å; C51-L55 WeakPolarHBondContact O-CG 3.39Å; C51-L55 PolarHBondContact O-N 3.46Å; C51-P124 HydrophobicContact CB-CB 3.73Å; C51-P124 HydrophobicContact CB-CG 3.75Å; C51-P124 WeakPolarHBondContact O-CB 3.22Å; C51-M150 HydrophobicContact CB-CB 3.67Å; C51-M150 HydrophobicContact CB-CG 3.93Å
52	I	94.3	Very high	94.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-42.9	177.4	-61.5	171.8	0	0	0	110.4	I48 L49 L55 N56 W92 W110 L111 F118 M150	I48-I52 HydrophobicContact CG2-CD1 3.94Å; I48-I52 HydrophobicContact CG2-CG1 4.49Å; I48-I52 WeakPolarHBondContact O-CG1 3.27Å; I48-I52 PolarHBondContact O-N 3Å; L49-I52 PolarHBondContact O-N 3.16Å; I52-L55 PolarHBondContact O-N 2.66Å; I52-N56 WeakPolarHBondContact O-CB 3.22Å; I52-N56 PolarHBondContact O-N 3Å; I52-N56 PolarHBondContact O-ND2 3.47Å; I52-N56 VanDerWaalsContact O-ND2 3.08Å; I52-W92 HydrophobicContact CG2-CH2 4Å; I52-W110 HydrophobicContact CD1-CZ3 3.96Å; I52-L111 HydrophobicContact CD1-CD2 3.52Å; I52-F118 HydrophobicContact CG2-CE2 4.18Å; I52-F118 HydrophobicContact CG2-CZ 4.29Å; I52-M150 HydrophobicContact CG1-CE 4.13Å
53	R	96.1	Very high	94.7	Very high	17 Å²	17	23.5 Å²	23.5	6%	0.064	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-44	175.6	-176.6	59.7	174.2	169.7	0.1	111.2	L49 A50 C51 N56 L57 V62 D82 W92	L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 PolarHBondContact O-N 3.4Å; A50-R53 PolarHBondContact O-N 2.92Å; C51-R53 VanDerWaalsContact C-N 3.33Å; C51-R53 PolarHBondContact O-N 2.91Å; R53-N56 PolarHBondContact O-N 2.97Å; R53-L57 HydrophobicContact CG-CD1 4.2Å; R53-L57 WeakPolarHBondContact O-CB 3.09Å; R53-L57 WeakPolarHBondContact O-CG 3.23Å; R53-L57 PolarHBondContact O-N 3.02Å; R53-V62 HydrophobicContact CB-CG1 4.44Å; R53-V62 HydrophobicContact CB-CG2 4.14Å; R53-V62 HydrophobicContact CG-CG1 4.26Å; R53-V62 HydrophobicContact CG-CG2 3.82Å; R53-D82 IonicContact CZ-OD1 2.64Å; R53-D82 IonicContact CZ-OD2 2.79Å; R53-D82 IonicContact NE-OD1 3.94Å; R53-D82 PolarHBondContact NE-OD1 3.45Å; R53-D82 IonicContact NE-OD2 2.85Å; R53-D82 VanDerWaalsContact NH2-CG 3.31Å; R53-D82 IonicContact NH2-OD1 3.92Å; R53-D82 PolarHBondContact NH2-OD1 2.97Å; R53-D82 VanDerWaalsContact NH2-OD1 3.17Å; R53-D82 IonicContact NH2-OD2 3.92Å; R53-D82 PolarHBondContact NH2-OD2 2.58Å; R53-W92 HydrophobicContact CB-CE3 4.37Å; R53-W92 HydrophobicContact CB-CH2 4.12Å; R53-W92 HydrophobicContact CB-CZ3 3.86Å; R53-W92 HydrophobicContact CG-CE3 4.48Å; R53-W92 HydrophobicContact CG-CZ3 4.42Å
54	S	95.3	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-47	176	179.4	0	0	0	0	111.6	A50 C51 N56 L57 R58 C59 R60 H125	A50-S54 WeakPolarHBondContact O-CB 3.47Å; A50-S54 PolarHBondContact O-N 3.46Å; C51-S54 WeakPolarHBondContact O-CB 3.36Å; C51-S54 PolarHBondContact O-N 3.22Å; S54-N56 PolarHBondContact O-N 3.11Å; S54-L57 CarbonylContact O-C 3.59Å; S54-L57 VanDerWaalsContact O-C 3.31Å; S54-L57 WeakPolarHBondContact O-CA 3.26Å; S54-L57 PolarHBondContact O-N 3Å; S54-R58 PolarHBondContact O-N 3.27Å; S54-C59 WeakPolarHBondContact O-CA 3.4Å; S54-C59 PolarHBondContact O-N 3.42Å; S54-R60 VanDerWaalsContact CB-O 3.32Å; S54-R60 WeakPolarHBondContact CB-O 3.31Å; S54-R60 PolarHBondContact OG-O 2.93Å; S54-H125 PolarHBondContact OG-N 3.26Å; S54-H125 PolarHBondContact OG-O 2.71Å
55	L	93.5	Very high	95.2	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-59.7	-46.9	176.8	-69.6	169	0	0	0	111.9	C51 I52 L57 R58 F118 Q122 P124	C51-L55 WeakPolarHBondContact O-CG 3.39Å; C51-L55 PolarHBondContact O-N 3.46Å; I52-L55 PolarHBondContact O-N 2.66Å; L55-L57 PolarHBondContact O-N 3.44Å; L55-R58 PolarHBondContact O-N 3.06Å; L55-R58 VanDerWaalsContact O-N 3.08Å; L55-F118 HydrophobicContact CB-CD1 3.82Å; L55-F118 HydrophobicContact CB-CD2 4Å; L55-F118 HydrophobicContact CB-CE1 3.67Å; L55-F118 HydrophobicContact CB-CE2 3.82Å; L55-F118 HydrophobicContact CB-CG 4Å; L55-F118 HydrophobicContact CB-CZ 3.67Å; L55-F118 HydrophobicContact CD1-CB 4.45Å; L55-F118 HydrophobicContact CD1-CD2 3.48Å; L55-F118 VanDerWaalsContact CD1-CD2 3.48Å; L55-F118 HydrophobicContact CD1-CE2 3.76Å; L55-F118 HydrophobicContact CD1-CG 3.96Å; L55-F118 HydrophobicContact CD1-CZ 4.49Å; L55-F118 HydrophobicContact CG-CD2 4.3Å; L55-F118 HydrophobicContact CG-CE2 4.43Å; L55-F118 HydrophobicContact CG-CG 4.43Å; L55-Q122 HydrophobicContact CD2-CB 3.53Å; L55-P124 HydrophobicContact CD1-CG 4.33Å; L55-P124 HydrophobicContact CD2-CB 4.35Å; L55-P124 HydrophobicContact CD2-CG 4.3Å; L55-P124 HydrophobicContact CG-CB 4.07Å; L55-P124 HydrophobicContact CG-CG 4.19Å
56	N	93.1	Very high	95.5	Very high	72 Å²	72	23 Å²	23	39%	0.385	10%	0.099	S	C	.	.	H	α-helix	trans	-59.5	-27.5	174.9	-78.5	-43.6	0	0	0	113.2	I52 R53 S54 W92 F118	I52-N56 WeakPolarHBondContact O-CB 3.22Å; I52-N56 PolarHBondContact O-N 3Å; I52-N56 PolarHBondContact O-ND2 3.47Å; I52-N56 VanDerWaalsContact O-ND2 3.08Å; R53-N56 PolarHBondContact O-N 2.97Å; S54-N56 PolarHBondContact O-N 3.11Å; N56-W92 HydrophobicContact CB-CZ2 4.29Å; N56-W92 WeakPolarHBondContact ND2-CH2 3.31Å; N56-W92 WeakPolarHBondContact ND2-CZ2 3.18Å; N56-F118 WeakPolarHBondContact OD1-CE1 3.13Å; N56-F118 VanDerWaalsContact OD1-CZ 3.32Å; N56-F118 WeakPolarHBondContact OD1-CZ 3.48Å
57	L	93.7	Very high	95.6	Very high	27 Å²	27	23 Å²	23	14%	0.141	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	26.7	178.9	-62.4	-176.1	0	0	0	113.3	R53 S54 L55 R60 P83	R53-L57 HydrophobicContact CG-CD1 4.2Å; R53-L57 WeakPolarHBondContact O-CB 3.09Å; R53-L57 WeakPolarHBondContact O-CG 3.23Å; R53-L57 PolarHBondContact O-N 3.02Å; S54-L57 CarbonylContact O-C 3.59Å; S54-L57 VanDerWaalsContact O-C 3.31Å; S54-L57 WeakPolarHBondContact O-CA 3.26Å; S54-L57 PolarHBondContact O-N 3Å; L55-L57 PolarHBondContact O-N 3.44Å; L57-R60 HydrophobicContact CB-CB 4.47Å; L57-R60 WeakPolarHBondContact O-CB 3.37Å; L57-R60 VanDerWaalsContact O-CG 3.31Å; L57-R60 WeakPolarHBondContact O-CG 3.44Å; L57-R60 PolarHBondContact O-N 2.99Å; L57-R60 PolarHBondContact O-NE 3.44Å; L57-P83 HydrophobicContact CB-CG 4.25Å; L57-P83 HydrophobicContact CD1-CG 3.53Å
58	R	91.8	Very high	95.7	Very high	222 Å²	222	23 Å²	23	84%	0.838	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	46.8	176.7	-53	178.5	-175.7	163.3	1.1	112.9	S54 L55 R60	S54-R58 PolarHBondContact O-N 3.27Å; L55-R58 PolarHBondContact O-N 3.06Å; L55-R58 VanDerWaalsContact O-N 3.08Å; R58-R60 PolarHBondContact O-N 3.29Å; R58-R60 VanDerWaalsContact O-N 3.12Å
59	C	92.5	Very high	95.8	Very high	27 Å²	27	23.2 Å²	23.2	18%	0.182	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	17.4	179.1	-53	0	0	0	0	114.5	S54 L123 H125	S54-C59 WeakPolarHBondContact O-CA 3.4Å; S54-C59 PolarHBondContact O-N 3.42Å; C59-L123 WeakPolarHBondContact CB-O 3.43Å; C59-H125 PolarHBondContact O-CD2 2.95Å
60	R	94.2	Very high	95.8	Very high	111 Å²	111	25.6 Å²	25.6	42%	0.419	11%	0.111	S	C	.	.			trans	-65.7	147.3	170.6	-74.1	-171.1	-64	166.5	2.5	110.2	S54 L57 R58 V62 P83 N173	S54-R60 VanDerWaalsContact CB-O 3.32Å; S54-R60 WeakPolarHBondContact CB-O 3.31Å; S54-R60 PolarHBondContact OG-O 2.93Å; L57-R60 HydrophobicContact CB-CB 4.47Å; L57-R60 WeakPolarHBondContact O-CB 3.37Å; L57-R60 VanDerWaalsContact O-CG 3.31Å; L57-R60 WeakPolarHBondContact O-CG 3.44Å; L57-R60 PolarHBondContact O-N 2.99Å; L57-R60 PolarHBondContact O-NE 3.44Å; R58-R60 PolarHBondContact O-N 3.29Å; R58-R60 VanDerWaalsContact O-N 3.12Å; R60-V62 PolarHBondContact O-N 2.83Å; R60-P83 HydrophobicContact CB-CB 3.8Å; R60-P83 HydrophobicContact CB-CG 3.6Å; R60-N173 WeakPolarHBondContact CA-OD1 3.3Å; R60-N173 VanDerWaalsContact CB-OD1 3.31Å; R60-N173 WeakPolarHBondContact CB-OD1 3.32Å
61	A	95.3	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.12	C	C	.	.			trans	-69.7	133.1	-176.9	0	0	0	0	0	111.4	P83 H125 V127 I172 N173 L178	A61-P83 WeakPolarHBondContact O-CA 3.07Å; A61-H125 WeakPolarHBondContact CA-O 3.4Å; A61-H125 HydrophobicContact CB-CB 3.85Å; A61-V127 HydrophobicContact CB-CG2 4.24Å; A61-I172 HydrophobicContact CB-CD1 3.36Å; A61-I172 HydrophobicContact CB-CG1 3.98Å; A61-N173 PolarHBondContact N-OD1 3.35Å; A61-N173 PolarHBondContact O-ND2 3.26Å; A61-L178 HydrophobicContact CB-CD1 4.04Å
62	V	98	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.5	175.9	173.1	0	0	0	0	108.2	A50 R53 R60 L80 V81 P83 H125 V126 V127	A50-V62 HydrophobicContact CB-CG1 4.08Å; R53-V62 HydrophobicContact CB-CG1 4.44Å; R53-V62 HydrophobicContact CB-CG2 4.14Å; R53-V62 HydrophobicContact CG-CG1 4.26Å; R53-V62 HydrophobicContact CG-CG2 3.82Å; R60-V62 PolarHBondContact O-N 2.83Å; V62-L80 HydrophobicContact CG1-CD2 4.06Å; V62-V81 WeakPolarHBondContact CA-O 3.21Å; V62-V81 WeakPolarHBondContact CG1-O 3.43Å; V62-P83 HydrophobicContact CG2-CG 4.48Å; V62-H125 PolarHBondContact N-O 3.34Å; V62-V126 CarbonylContact O-C 3.55Å; V62-V126 VanDerWaalsContact O-CA 3.26Å; V62-V126 WeakPolarHBondContact O-CA 3.26Å; V62-V127 PolarHBondContact O-N 3.27Å
63	G	98.1	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.5	178.4	0	0	0	0	0	113	L80 V81 V127	G63-L80 CarbonylContact O-C 3.31Å; G63-L80 WeakPolarHBondContact O-CA 3.48Å; G63-V81 PolarHBondContact N-O 3Å; G63-V81 PolarHBondContact O-N 2.72Å; G63-V127 CarbonylContact C-O 3.54Å; G63-V127 WeakPolarHBondContact CA-O 3.5Å
64	I	98.6	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.7	161.6	-65.7	170.9	0	0	0	107.5	L46 A50 I66 K79 L80 V126 V127 L128 G129 V143 L165	L46-I64 HydrophobicContact CD2-CG2 4.01Å; L46-I64 HydrophobicContact CG-CD1 4.3Å; A50-I64 HydrophobicContact CB-CD1 3.58Å; A50-I64 HydrophobicContact CB-CG1 3.93Å; I64-I66 HydrophobicContact CG2-CG1 4.34Å; I64-K79 WeakPolarHBondContact CA-O 3.44Å; I64-L80 HydrophobicContact CD1-CD2 4.4Å; I64-L80 HydrophobicContact CG1-CD2 3.69Å; I64-V126 HydrophobicContact CD1-CG1 3.92Å; I64-V126 HydrophobicContact CG1-CG1 4.24Å; I64-V127 PolarHBondContact N-O 3.32Å; I64-L128 HydrophobicContact CB-CD1 4.12Å; I64-L128 HydrophobicContact CG2-CD1 3.99Å; I64-G129 PolarHBondContact O-N 2.69Å; I64-G129 VanDerWaalsContact O-N 3.1Å; I64-V143 HydrophobicContact CD1-CG1 3.41Å; I64-V143 VanDerWaalsContact CD1-CG1 3.41Å; I64-V143 HydrophobicContact CD1-CG2 4.43Å; I64-V143 HydrophobicContact CG2-CG1 4.48Å; I64-V143 HydrophobicContact CG2-CG2 4.21Å; I64-L165 VanDerWaalsContact O-CD1 3.22Å; I64-L165 WeakPolarHBondContact O-CD1 3.41Å
65	M	98.6	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.1	170.8	-174.5	61.5	-164.2	0	0	109.8	T67 M78 K79 D131 V160 T162 L165	M65-T67 HydrophobicContact CE-CG2 4.43Å; M65-T67 HydrophobicContact CG-CG2 3.85Å; M65-M78 WeakPolarHBondContact O-CA 3.41Å; M65-K79 PolarHBondContact N-O 2.9Å; M65-K79 PolarHBondContact O-N 3.12Å; M65-D131 HydrophobicContact CE-CB 4.39Å; M65-V160 WeakPolarHBondContact CE-O 3.45Å; M65-V160 HydrophobicContact SD-CG2 4.27Å; M65-T162 HydrophobicContact CG-CG2 4.4Å; M65-L165 HydrophobicContact CB-CD1 4.11Å; M65-L165 HydrophobicContact CB-CD2 4.19Å; M65-L165 HydrophobicContact SD-CB 4.12Å; M65-L165 HydrophobicContact SD-CD1 3.89Å
66	I	98.6	Very high	96.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.2	173.7	-54.6	168.5	0	0	0	108.2	I64 N76 G77 M78 L128 G129 F130 D131 L139 A140 V143	I64-I66 HydrophobicContact CG2-CG1 4.34Å; I66-N76 WeakPolarHBondContact CG2-OD1 3.46Å; I66-G77 CarbonylContact C-O 3.46Å; I66-G77 VanDerWaalsContact CA-O 3.27Å; I66-G77 WeakPolarHBondContact CA-O 3.49Å; I66-M78 HydrophobicContact CB-CG 4.48Å; I66-M78 HydrophobicContact CG1-CG 4.05Å; I66-M78 HydrophobicContact CG2-CG 4.31Å; I66-L128 HydrophobicContact CD1-CD1 3.91Å; I66-L128 HydrophobicContact CG1-CD1 4.26Å; I66-G129 PolarHBondContact N-O 3.21Å; I66-F130 HydrophobicContact CB-CB 3.75Å; I66-F130 HydrophobicContact CD1-CB 4.33Å; I66-F130 HydrophobicContact CG1-CB 4.44Å; I66-F130 HydrophobicContact CG2-CB 4.49Å; I66-F130 VanDerWaalsContact O-CA 3.29Å; I66-F130 WeakPolarHBondContact O-CA 3.46Å; I66-D131 PolarHBondContact O-N 2.99Å; I66-L139 HydrophobicContact CD1-CB 3.93Å; I66-L139 HydrophobicContact CG2-CB 4.16Å; I66-L139 HydrophobicContact CG2-CD1 3.94Å; I66-A140 VanDerWaalsContact CD1-CA 3.42Å; I66-A140 HydrophobicContact CD1-CB 3.77Å; I66-A140 VanDerWaalsContact CD1-N 3.28Å; I66-V143 HydrophobicContact CD1-CG2 4.31Å
67	T	98.2	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.			trans	-161.7	148.4	-180	-175.4	0	0	0	0	113.9	R33 M65 S69 N76 G77 K79 D131 D296	R33-T67 PolarHBondContact NH2-O 3.41Å; M65-T67 HydrophobicContact CE-CG2 4.43Å; M65-T67 HydrophobicContact CG-CG2 3.85Å; T67-S69 PolarHBondContact OG1-N 2.92Å; T67-N76 VanDerWaalsContact C-OD1 3.3Å; T67-N76 WeakPolarHBondContact CA-OD1 3.12Å; T67-N76 PolarHBondContact N-OD1 3.04Å; T67-G77 PolarHBondContact N-O 3.02Å; T67-G77 CarbonylContact O-C 3.54Å; T67-G77 VanDerWaalsContact O-CA 3.27Å; T67-G77 WeakPolarHBondContact O-CA 3.38Å; T67-G77 PolarHBondContact O-N 3.04Å; T67-K79 HydrophobicContact CG2-CD 4.5Å; T67-D131 WeakPolarHBondContact CA-OD2 3.43Å; T67-D131 WeakPolarHBondContact CB-OD2 3.41Å; T67-D131 PolarHBondContact OG1-OD2 3.14Å; T67-D296 WeakPolarHBondContact CG2-OD2 3.28Å; T67-D296 WeakPolarHBondContact OG1-CB 3.46Å; T67-D296 PolarHBondContact OG1-OD2 2.99Å
68	A	97	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.			trans	-78.6	-14.5	159.7	0	0	0	0	0	119.9	R33 H70 N71 D75 N76 D131 R133	R33-A68 VanDerWaalsContact CD-CB 3.49Å; R33-A68 VanDerWaalsContact CZ-C 3.48Å; R33-A68 VanDerWaalsContact NE-CB 3.31Å; R33-A68 VanDerWaalsContact NH1-CB 3.29Å; R33-A68 PolarHBondContact NH1-O 3.49Å; R33-A68 VanDerWaalsContact NH2-C 3.31Å; A68-H70 PolarHBondContact O-N 3.39Å; A68-N71 HydrophobicContact CB-CB 3.94Å; A68-N71 VanDerWaalsContact O-CB 3.31Å; A68-N71 WeakPolarHBondContact O-CB 3.32Å; A68-N71 PolarHBondContact O-N 3.44Å; A68-N71 PolarHBondContact O-OD1 3.36Å; A68-D75 HydrophobicContact CB-CB 4.22Å; A68-N76 PolarHBondContact N-OD1 3.07Å; A68-D131 PolarHBondContact N-OD2 2.77Å; A68-R133 VanDerWaalsContact CA-CZ 3.45Å; A68-R133 VanDerWaalsContact CA-NE 3.33Å
69	S	96.4	Very high	96.6	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	-130.9	-160.8	160.8	0	0	0	0	110.8	T67 N71 R133 N259 D294 D296	T67-S69 PolarHBondContact OG1-N 2.92Å; S69-N71 VanDerWaalsContact C-N 3.3Å; S69-N71 PolarHBondContact O-N 3.37Å; S69-R133 PolarHBondContact O-NH2 2.86Å; S69-N259 PolarHBondContact O-ND2 3.11Å; S69-D294 PolarHBondContact OG-OD2 3.43Å; S69-D296 VanDerWaalsContact CA-CG 3.44Å; S69-D296 VanDerWaalsContact CA-OD1 3.27Å; S69-D296 WeakPolarHBondContact CA-OD1 3.43Å; S69-D296 WeakPolarHBondContact CB-OD1 3.17Å
70	H	95.4	Very high	96.9	Very high	50 Å²	50	20.7 Å²	20.7	23%	0.231	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.8	176.8	69.1	-65.2	0	0	0	116.7	A68 N259 D265 D294 R299	A68-H70 PolarHBondContact O-N 3.39Å; H70-N259 VanDerWaalsContact CA-ND2 3.33Å; H70-N259 WeakPolarHBondContact CA-ND2 3.34Å; H70-N259 PolarHBondContact O-ND2 3Å; H70-D265 HydrophobicContact CB-CB 3.7Å; H70-D265 IonicContact CD2-OD1 2.77Å; H70-D265 PolarHBondContact CD2-OD1 3.45Å; H70-D265 IonicContact CD2-OD2 3.54Å; H70-D265 PolarHBondContact CD2-OD2 3.19Å; H70-D265 IonicContact NE2-OD1 2.82Å; H70-D294 HydrophobicContact CB-CB 4.1Å; H70-D294 PolarHBondContact N-OD2 3.08Å; H70-R299 PolarHBondContact CE1-NH1 2.84Å; H70-R299 PolarHBondContact CE1-NH2 3.39Å; H70-R299 VanDerWaalsContact CG-NH1 3.29Å; H70-R299 VanDerWaalsContact ND1-CZ 3.31Å; H70-R299 PolarHBondContact ND1-NH1 3.42Å; H70-R299 VanDerWaalsContact ND1-NH1 3.19Å; H70-R299 PolarHBondContact ND1-NH2 3.45Å
71	N	96.3	Very high	97.1	Very high	35 Å²	35	15.4 Å²	15.4	19%	0.187	9%	0.091	C	C	.	.	S	Bend	trans	-63.3	161.5	-177.4	-79.9	79.2	0	0	0	113	R33 A68 S69 D75 R133 N259	R33-N71 PolarHBondContact NH1-OD1 3.49Å; A68-N71 HydrophobicContact CB-CB 3.94Å; A68-N71 VanDerWaalsContact O-CB 3.31Å; A68-N71 WeakPolarHBondContact O-CB 3.32Å; A68-N71 PolarHBondContact O-N 3.44Å; A68-N71 PolarHBondContact O-OD1 3.36Å; S69-N71 VanDerWaalsContact C-N 3.3Å; S69-N71 PolarHBondContact O-N 3.37Å; N71-D75 HydrophobicContact CB-CB 4.01Å; N71-D75 PolarHBondContact ND2-OD2 3.48Å; N71-R133 PolarHBondContact O-NH2 2.91Å; N71-N259 PolarHBondContact O-ND2 3.13Å; N71-N259 VanDerWaalsContact O-ND2 3.09Å
72	P	96.6	Very high	97.2	Very high	70 Å²	70	15.6 Å²	15.6	46%	0.455	9%	0.092	S	C	.	.			trans	-58.6	152.4	174.6	-24.1	34.7	0	0	0	113.2	C74 D75 R133	P72-C74 PolarHBondContact O-N 3.19Å; P72-C74 VanDerWaalsContact O-N 3.09Å; P72-D75 PolarHBondContact O-N 3.39Å; P72-R133 PolarHBondContact O-NH1 2.93Å
73	P	97.2	Very high	97.1	Very high	26 Å²	26	15.8 Å²	15.8	17%	0.169	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.8	-173.3	-24.8	31.7	0	0	0	115.8	D75 R133 K255 L258	P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 PolarHBondContact O-N 2.71Å; P73-R133 PolarHBondContact O-NH1 3.05Å; P73-K255 VanDerWaalsContact CB-O 3.32Å; P73-K255 WeakPolarHBondContact CB-O 3.33Å; P73-K255 WeakPolarHBondContact CG-O 3.45Å; P73-L258 HydrophobicContact CG-CB 4.12Å
74	C	96.8	Very high	96.9	Very high	86 Å²	86	20.8 Å²	20.8	58%	0.581	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.5	179.2	61.6	0	0	0	0	114.1	A36 P72	A36-C74 VanDerWaalsContact CB-O 3.31Å; A36-C74 WeakPolarHBondContact CB-O 3.38Å; A36-C74 PolarHBondContact N-O 3.02Å; P72-C74 PolarHBondContact O-N 3.19Å; P72-C74 VanDerWaalsContact O-N 3.09Å
75	D	96.2	Very high	96.8	Very high	30 Å²	30	20.8 Å²	20.8	16%	0.16	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	155.5	173.8	-67.7	-11.3	0	0	0	110	L34 A68 N71 P72 P73 R133	L34-D75 WeakPolarHBondContact O-CA 3.46Å; A68-D75 HydrophobicContact CB-CB 4.22Å; N71-D75 HydrophobicContact CB-CB 4.01Å; N71-D75 PolarHBondContact ND2-OD2 3.48Å; P72-D75 PolarHBondContact O-N 3.39Å; P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 PolarHBondContact O-N 2.71Å; D75-R133 WeakPolarHBondContact O-CD 3.2Å; D75-R133 PolarHBondContact O-NH1 3.35Å
76	N	96.4	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	177.1	159.7	-149.3	-25.8	0	0	0	109.6	R33 L34 A36 L39 I66 T67 A68 S135 S136 L139	R33-N76 WeakPolarHBondContact CD-O 3.46Å; L34-N76 PolarHBondContact N-O 3.19Å; L34-N76 PolarHBondContact O-N 2.77Å; A36-N76 HydrophobicContact CB-CB 4.02Å; L39-N76 VanDerWaalsContact CD1-C 3.46Å; L39-N76 HydrophobicContact CD1-CB 3.77Å; L39-N76 WeakPolarHBondContact CD1-O 3.38Å; I66-N76 WeakPolarHBondContact CG2-OD1 3.46Å; T67-N76 VanDerWaalsContact C-OD1 3.3Å; T67-N76 WeakPolarHBondContact CA-OD1 3.12Å; T67-N76 PolarHBondContact N-OD1 3.04Å; A68-N76 PolarHBondContact N-OD1 3.07Å; N76-S135 PolarHBondContact ND2-OG 3.07Å; N76-S136 PolarHBondContact ND2-OG 3.07Å; N76-L139 HydrophobicContact CB-CD1 3.99Å
77	G	95.5	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	169.4	178.7	0	0	0	0	0	112	F32 I66 T67	F32-G77 CarbonylContact O-C 3.53Å; F32-G77 WeakPolarHBondContact O-CA 3.42Å; I66-G77 CarbonylContact C-O 3.46Å; I66-G77 VanDerWaalsContact CA-O 3.27Å; I66-G77 WeakPolarHBondContact CA-O 3.49Å; T67-G77 PolarHBondContact N-O 3.02Å; T67-G77 CarbonylContact O-C 3.54Å; T67-G77 VanDerWaalsContact O-CA 3.27Å; T67-G77 WeakPolarHBondContact O-CA 3.38Å; T67-G77 PolarHBondContact O-N 3.04Å
78	M	96.9	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.6	-178.4	-60.2	177.9	-87	0	0	110.4	G31 F32 L39 V42 A43 L46 M65 I66 V143	G31-M78 VanDerWaalsContact CA-O 3.32Å; G31-M78 WeakPolarHBondContact CA-O 3.2Å; F32-M78 PolarHBondContact N-O 3.09Å; F32-M78 PolarHBondContact O-N 2.86Å; L39-M78 HydrophobicContact CB-CE 4.07Å; L39-M78 HydrophobicContact CD1-CE 4.49Å; L39-M78 HydrophobicContact CD2-CE 3.9Å; L39-M78 HydrophobicContact CG-CE 4.38Å; V42-M78 HydrophobicContact CB-CE 4.08Å; V42-M78 HydrophobicContact CG1-CE 3.87Å; A43-M78 HydrophobicContact CB-CE 3.91Å; A43-M78 HydrophobicContact CB-SD 3.56Å; A43-M78 VanDerWaalsContact CB-SD 3.56Å; L46-M78 HydrophobicContact CD2-CB 3.33Å; L46-M78 HydrophobicContact CD2-CG 4.22Å; L46-M78 HydrophobicContact CD2-SD 4.01Å; M65-M78 WeakPolarHBondContact O-CA 3.41Å; I66-M78 HydrophobicContact CB-CG 4.48Å; I66-M78 HydrophobicContact CG1-CG 4.05Å; I66-M78 HydrophobicContact CG2-CG 4.31Å; M78-V143 HydrophobicContact SD-CG2 4.43Å
79	K	96.4	Very high	96.1	Very high	20 Å²	20	26.2 Å²	26.2	9%	0.087	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.3	-178.4	-59.2	172.5	-177.4	170.6	0	109.7	A30 I64 M65 T67 D296 D298	A30-K79 WeakPolarHBondContact O-CG 3.3Å; I64-K79 WeakPolarHBondContact CA-O 3.44Å; M65-K79 PolarHBondContact N-O 2.9Å; M65-K79 PolarHBondContact O-N 3.12Å; T67-K79 HydrophobicContact CG2-CD 4.5Å; K79-D296 IonicContact NZ-OD2 3.17Å; K79-D298 IonicContact NZ-OD2 3.39Å; K79-D298 PolarHBondContact NZ-OD2 3.02Å
80	L	98	Very high	95.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.6	167.4	-71.9	166.3	0	0	0	110.7	Y27 L46 A50 V62 G63 I64 L88 V96	Y27-L80 WeakPolarHBondContact OH-CB 3.42Å; Y27-L80 PolarHBondContact OH-N 3.09Å; L46-L80 HydrophobicContact CD1-CD1 3.81Å; L46-L80 HydrophobicContact CD1-CD2 4.24Å; L46-L80 HydrophobicContact CD1-CG 3.89Å; L46-L80 HydrophobicContact CG-CD2 4.32Å; L46-L80 HydrophobicContact CG-CG 4.4Å; A50-L80 HydrophobicContact CB-CD2 3.8Å; V62-L80 HydrophobicContact CG1-CD2 4.06Å; G63-L80 CarbonylContact O-C 3.31Å; G63-L80 WeakPolarHBondContact O-CA 3.48Å; I64-L80 HydrophobicContact CD1-CD2 4.4Å; I64-L80 HydrophobicContact CG1-CD2 3.69Å; L80-L88 HydrophobicContact CB-CB 4.06Å; L80-L88 HydrophobicContact CB-CD1 4.16Å; L80-L88 HydrophobicContact CB-CD2 4.38Å; L80-L88 HydrophobicContact CB-CG 4.43Å; L80-L88 HydrophobicContact CD1-CD1 4.25Å; L80-L88 HydrophobicContact CD1-CD2 4.02Å; L80-L88 PolarHBondContact O-N 3.42Å; L80-V96 HydrophobicContact CD1-CG2 3.88Å
81	V	98	Very high	95.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.9	179.4	-174	0	0	0	0	108.9	V62 G63 G85 G86 L165 H166 V169	V62-V81 WeakPolarHBondContact CA-O 3.21Å; V62-V81 WeakPolarHBondContact CG1-O 3.43Å; G63-V81 PolarHBondContact N-O 3Å; G63-V81 PolarHBondContact O-N 2.72Å; V81-G85 WeakPolarHBondContact CG1-O 3.3Å; V81-G86 WeakPolarHBondContact CA-O 3.4Å; V81-G86 VanDerWaalsContact CG1-O 3.31Å; V81-G86 WeakPolarHBondContact CG1-O 3.46Å; V81-L165 HydrophobicContact CB-CD2 4.19Å; V81-L165 HydrophobicContact CG2-CD2 3.54Å; V81-H166 HydrophobicContact CG1-CB 4.49Å; V81-H166 VanDerWaalsContact CG2-NE2 3.27Å; V81-H166 WeakPolarHBondContact CG2-NE2 3.39Å; V81-V169 HydrophobicContact CG1-CB 4.26Å; V81-V169 HydrophobicContact CG1-CG1 4.12Å; V81-V169 HydrophobicContact CG1-CG2 4.45Å
82	D	97.3	Very high	95.6	Very high	5 Å²	5	34 Å²	34	3%	0.027	19%	0.188	C	C	.	.			trans	-77.6	162.2	179.6	-93.1	-30.6	0	0	0	111.7	R53 H84 G85 G86 D89 V169	R53-D82 IonicContact CZ-OD1 2.64Å; R53-D82 IonicContact CZ-OD2 2.79Å; R53-D82 IonicContact NE-OD1 3.94Å; R53-D82 PolarHBondContact NE-OD1 3.45Å; R53-D82 IonicContact NE-OD2 2.85Å; R53-D82 VanDerWaalsContact NH2-CG 3.31Å; R53-D82 IonicContact NH2-OD1 3.92Å; R53-D82 PolarHBondContact NH2-OD1 2.97Å; R53-D82 VanDerWaalsContact NH2-OD1 3.17Å; R53-D82 IonicContact NH2-OD2 3.92Å; R53-D82 PolarHBondContact NH2-OD2 2.58Å; D82-H84 PolarHBondContact O-N 3.45Å; D82-G85 PolarHBondContact O-N 2.66Å; D82-G86 PolarHBondContact N-O 2.78Å; D82-D89 PolarHBondContact OD2-N 3.18Å; D82-V169 WeakPolarHBondContact O-CG1 3.47Å
83	P	96.7	Very high	95.5	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.026	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20	-171	-32.5	38.3	0	0	0	117.2	L57 R60 A61 V62 G85 N173	L57-P83 HydrophobicContact CB-CG 4.25Å; L57-P83 HydrophobicContact CD1-CG 3.53Å; R60-P83 HydrophobicContact CB-CB 3.8Å; R60-P83 HydrophobicContact CB-CG 3.6Å; A61-P83 WeakPolarHBondContact O-CA 3.07Å; V62-P83 HydrophobicContact CG2-CG 4.48Å; P83-G85 PolarHBondContact O-N 2.62Å; P83-N173 VanDerWaalsContact CA-ND2 3.32Å; P83-N173 WeakPolarHBondContact CA-ND2 3.22Å; P83-N173 HydrophobicContact CB-CB 4.33Å; P83-N173 VanDerWaalsContact O-CB 3.25Å; P83-N173 WeakPolarHBondContact O-CB 3.25Å; P83-N173 PolarHBondContact O-ND2 3.31Å; P83-N173 VanDerWaalsContact O-ND2 3.11Å
84	H	94.8	Very high	95.2	Very high	105 Å²	105	35.5 Å²	35.5	49%	0.486	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	3.8	177.1	63.5	-80.8	0	0	0	112.8	D82 G86 Q170	D82-H84 PolarHBondContact O-N 3.45Å; H84-G86 VanDerWaalsContact C-N 3.27Å; H84-G86 PolarHBondContact CD2-N 3.36Å; H84-G86 WeakPolarHBondContact NE2-CA 3.32Å; H84-G86 PolarHBondContact O-N 3.28Å; H84-Q170 WeakPolarHBondContact O-CG 2.97Å
85	G	95.9	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	83.1	-6	-176.2	0	0	0	0	0	114.3	V81 D82 P83 H166	V81-G85 WeakPolarHBondContact CG1-O 3.3Å; D82-G85 PolarHBondContact O-N 2.66Å; P83-G85 PolarHBondContact O-N 2.62Å; G85-H166 WeakPolarHBondContact CA-O 3.45Å; G85-H166 WeakPolarHBondContact O-CB 3.17Å; G85-H166 PolarHBondContact O-ND1 3Å
86	G	94.1	Very high	95	Very high	5 Å²	5	31.5 Å²	31.5	5%	0.052	17%	0.169	C	C	.	.	S	Bend	trans	-82.3	172.4	176.8	0	0	0	0	0	113.1	V81 D82 H84	V81-G86 WeakPolarHBondContact CA-O 3.4Å; V81-G86 VanDerWaalsContact CG1-O 3.31Å; V81-G86 WeakPolarHBondContact CG1-O 3.46Å; D82-G86 PolarHBondContact N-O 2.78Å; H84-G86 VanDerWaalsContact C-N 3.27Å; H84-G86 PolarHBondContact CD2-N 3.36Å; H84-G86 WeakPolarHBondContact NE2-CA 3.32Å; H84-G86 PolarHBondContact O-N 3.28Å
87	M	94.3	Very high	94.7	Very high	38 Å²	38	33.1 Å²	33.1	19%	0.187	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-57.7	157.6	173.2	-66.1	171.6	-82	0	0	111.9	T29 D89 V399 K400 I453	T29-M87 HydrophobicContact CG2-SD 3.98Å; M87-D89 PolarHBondContact O-N 3.37Å; M87-V399 HydrophobicContact CE-CB 4.27Å; M87-V399 HydrophobicContact CE-CG2 3.64Å; M87-V399 HydrophobicContact SD-CG2 3.72Å; M87-K400 HydrophobicContact CE-CB 4.31Å; M87-K400 HydrophobicContact CE-CG 3.45Å; M87-K400 VanDerWaalsContact CE-CG 3.45Å; M87-K400 HydrophobicContact SD-CD 4.42Å; M87-K400 HydrophobicContact SD-CG 3.68Å; M87-I453 HydrophobicContact CG-CD1 4.37Å
88	L	95.5	Very high	94.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-49.9	132	169.9	-175.8	71.5	0	0	0	111.7	Y27 L80 A90 W92 E93 V96 K400	Y27-L88 HydrophobicContact CD1-CD2 4.34Å; Y27-L88 HydrophobicContact CE1-CB 4.41Å; Y27-L88 HydrophobicContact CE1-CD2 3.65Å; L80-L88 HydrophobicContact CB-CB 4.06Å; L80-L88 HydrophobicContact CB-CD1 4.16Å; L80-L88 HydrophobicContact CB-CD2 4.38Å; L80-L88 HydrophobicContact CB-CG 4.43Å; L80-L88 HydrophobicContact CD1-CD1 4.25Å; L80-L88 HydrophobicContact CD1-CD2 4.02Å; L80-L88 PolarHBondContact O-N 3.42Å; L88-A90 PolarHBondContact O-N 3.23Å; L88-W92 HydrophobicContact CD1-CB 3.92Å; L88-W92 HydrophobicContact CD2-CB 4.11Å; L88-W92 HydrophobicContact CG-CB 4.01Å; L88-E93 HydrophobicContact CD2-CG 4.43Å; L88-V96 HydrophobicContact CD2-CG2 3.77Å; L88-K400 PolarHBondContact O-NZ 2.69Å
89	D	93	Very high	94.3	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-47	129.9	169.2	-166.1	-30.1	0	0	0	111.7	D82 M87 E91 W92	D82-D89 PolarHBondContact OD2-N 3.18Å; M87-D89 PolarHBondContact O-N 3.37Å; D89-E91 PolarHBondContact O-N 3.06Å; D89-E91 PolarHBondContact OD1-N 2.81Å; D89-W92 WeakPolarHBondContact O-CB 3.31Å; D89-W92 PolarHBondContact O-N 2.88Å
90	A	90.8	Very high	94	Very high	55 Å²	55	35 Å²	35	46%	0.455	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.3	-31.1	-178.7	0	0	0	0	0	112.4	L88 W92 E93 P94	L88-A90 PolarHBondContact O-N 3.23Å; A90-W92 PolarHBondContact O-N 3.4Å; A90-E93 PolarHBondContact O-N 3.41Å; A90-P94 WeakPolarHBondContact O-CD 3.39Å
91	E	92.9	Very high	93.5	Very high	159 Å²	159	37.5 Å²	37.5	74%	0.743	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-65.4	-20.7	177.3	-63.3	-170.9	160.6	0	0	112.9	D89	D89-E91 PolarHBondContact O-N 3.06Å; D89-E91 PolarHBondContact OD1-N 2.81Å
92	W	94.1	Very high	93	Very high	36 Å²	36	38.3 Å²	38.3	14%	0.136	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-90.5	-14.8	178.6	-101.5	64.1	0	0	0	114.3	I52 R53 N56 L88 D89 A90 V95 V96	I52-W92 HydrophobicContact CG2-CH2 4Å; R53-W92 HydrophobicContact CB-CE3 4.37Å; R53-W92 HydrophobicContact CB-CH2 4.12Å; R53-W92 HydrophobicContact CB-CZ3 3.86Å; R53-W92 HydrophobicContact CG-CE3 4.48Å; R53-W92 HydrophobicContact CG-CZ3 4.42Å; N56-W92 HydrophobicContact CB-CZ2 4.29Å; N56-W92 WeakPolarHBondContact ND2-CH2 3.31Å; N56-W92 WeakPolarHBondContact ND2-CZ2 3.18Å; L88-W92 HydrophobicContact CD1-CB 3.92Å; L88-W92 HydrophobicContact CD2-CB 4.11Å; L88-W92 HydrophobicContact CG-CB 4.01Å; D89-W92 WeakPolarHBondContact O-CB 3.31Å; D89-W92 PolarHBondContact O-N 2.88Å; A90-W92 PolarHBondContact O-N 3.4Å; W92-V95 HydrophobicContact CE3-CB 4.46Å; W92-V95 HydrophobicContact CE3-CG1 4.36Å; W92-V95 HydrophobicContact CZ3-CG1 4.34Å; W92-V95 WeakPolarHBondContact O-CB 3.47Å; W92-V95 PolarHBondContact O-N 3.06Å; W92-V95 VanDerWaalsContact O-N 3.09Å; W92-V96 HydrophobicContact CE3-CG2 4.39Å; W92-V96 WeakPolarHBondContact O-CG2 3.28Å; W92-V96 PolarHBondContact O-N 2.94Å
93	E	93.9	Very high	92.3	Very high	39 Å²	39	47.1 Å²	47.1	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-44	179.8	-55.7	-179.6	156.3	0	0	112.6	Y27 L88 A90 V95 V96 V97 K400	Y27-E93 HydrophobicContact CD1-CB 4.15Å; Y27-E93 HydrophobicContact CD1-CG 3.86Å; Y27-E93 HydrophobicContact CE1-CG 4.32Å; L88-E93 HydrophobicContact CD2-CG 4.43Å; A90-E93 PolarHBondContact O-N 3.41Å; E93-V95 VanDerWaalsContact C-N 3.28Å; E93-V95 PolarHBondContact O-N 3.16Å; E93-V96 PolarHBondContact O-N 2.75Å; E93-V97 WeakPolarHBondContact O-CG2 3.32Å; E93-V97 PolarHBondContact O-N 2.97Å; E93-K400 IonicContact OE1-NZ 3.91Å; E93-K400 PolarHBondContact OE1-NZ 3.05Å
94	P	92.5	Very high	91.7	Very high	90 Å²	90	49.4 Å²	49.4	58%	0.584	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-32.6	175.4	-22.2	35.1	0	0	0	113.2	A90 S98	A90-P94 WeakPolarHBondContact O-CD 3.39Å; P94-S98 WeakPolarHBondContact O-CB 3.47Å; P94-S98 PolarHBondContact O-N 3.33Å
95	V	93.5	Very high	91.1	Very high	32 Å²	32	52 Å²	52	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-44.9	176.5	-177.8	0	0	0	0	110	W92 E93 S98 F99 W110	W92-V95 HydrophobicContact CE3-CB 4.46Å; W92-V95 HydrophobicContact CE3-CG1 4.36Å; W92-V95 HydrophobicContact CZ3-CG1 4.34Å; W92-V95 WeakPolarHBondContact O-CB 3.47Å; W92-V95 PolarHBondContact O-N 3.06Å; W92-V95 VanDerWaalsContact O-N 3.09Å; E93-V95 VanDerWaalsContact C-N 3.28Å; E93-V95 PolarHBondContact O-N 3.16Å; V95-S98 WeakPolarHBondContact O-CB 3.37Å; V95-S98 PolarHBondContact O-N 2.68Å; V95-F99 PolarHBondContact O-N 3.26Å; V95-W110 HydrophobicContact CG1-CH2 3.86Å; V95-W110 HydrophobicContact CG1-CZ2 3.71Å
96	V	93.7	Very high	90.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-50.6	176	169.5	0	0	0	0	110.7	Y27 F32 L49 L80 L88 W92 E93 S98 F99 I100	Y27-V96 HydrophobicContact CD2-CG1 3.79Å; Y27-V96 HydrophobicContact CE2-CG1 4.15Å; Y27-V96 HydrophobicContact CG-CG1 4.08Å; F32-V96 HydrophobicContact CE2-CG1 3.64Å; F32-V96 HydrophobicContact CZ-CG1 3.59Å; L49-V96 HydrophobicContact CD1-CB 4.27Å; L49-V96 HydrophobicContact CD1-CG1 3.99Å; L49-V96 HydrophobicContact CD1-CG2 4.23Å; L80-V96 HydrophobicContact CD1-CG2 3.88Å; L88-V96 HydrophobicContact CD2-CG2 3.77Å; W92-V96 HydrophobicContact CE3-CG2 4.39Å; W92-V96 WeakPolarHBondContact O-CG2 3.28Å; W92-V96 PolarHBondContact O-N 2.94Å; E93-V96 PolarHBondContact O-N 2.75Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 3.42Å; V96-F99 PolarHBondContact O-N 3.35Å; V96-I100 WeakPolarHBondContact O-CG1 3.46Å; V96-I100 PolarHBondContact O-N 3.44Å
97	V	92	Very high	90.1	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.206	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-42.4	178	173.6	0	0	0	0	111.4	E93 F99 I100 N101	E93-V97 WeakPolarHBondContact O-CG2 3.32Å; E93-V97 PolarHBondContact O-N 2.97Å; V97-F99 VanDerWaalsContact C-N 3.34Å; V97-F99 PolarHBondContact O-N 3.23Å; V97-I100 PolarHBondContact O-N 3.37Å; V97-N101 WeakPolarHBondContact CG1-ND2 3.4Å; V97-N101 WeakPolarHBondContact O-CB 3.07Å; V97-N101 PolarHBondContact O-N 3.44Å; V97-N101 PolarHBondContact O-ND2 3.19Å
98	S	91.7	Very high	89.6	Confident	57 Å²	57	55.5 Å²	55.5	40%	0.399	30%	0.298	S	S	.	.	H	α-helix	trans	-57.1	-45.5	176.7	173.7	0	0	0	0	112	P94 V95 V96 N101 C102 W110	P94-S98 WeakPolarHBondContact O-CB 3.47Å; P94-S98 PolarHBondContact O-N 3.33Å; V95-S98 WeakPolarHBondContact O-CB 3.37Å; V95-S98 PolarHBondContact O-N 2.68Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 3.42Å; S98-N101 PolarHBondContact O-N 3.45Å; S98-C102 PolarHBondContact O-N 2.94Å; S98-W110 PolarHBondContact OG-NE1 3.44Å; S98-W110 VanDerWaalsContact OG-NE1 3.13Å
99	F	91.1	Very high	89.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.5	-41.2	179.1	-172.6	-114.6	0	0	0	113.1	R45 I48 L49 V95 V96 V97 N101 C102 I107 W110 L111	R45-F99 HydrophobicContact CB-CD1 4.02Å; R45-F99 HydrophobicContact CB-CE1 3.74Å; R45-F99 HydrophobicContact CG-CE1 4.08Å; R45-F99 PolarHBondContact NH1-O 2.94Å; R45-F99 WeakPolarHBondContact O-CE1 3.23Å; I48-F99 HydrophobicContact CB-CE1 4.18Å; I48-F99 HydrophobicContact CB-CZ 4.42Å; I48-F99 HydrophobicContact CG2-CE1 3.97Å; I48-F99 HydrophobicContact CG2-CZ 3.79Å; L49-F99 HydrophobicContact CD1-CB 4.08Å; L49-F99 HydrophobicContact CD1-CD1 3.61Å; L49-F99 HydrophobicContact CD1-CG 4.26Å; L49-F99 HydrophobicContact CD2-CB 3.8Å; L49-F99 HydrophobicContact CD2-CD1 3.74Å; L49-F99 HydrophobicContact CD2-CG 3.88Å; L49-F99 HydrophobicContact CG-CB 4.21Å; L49-F99 HydrophobicContact CG-CD1 3.37Å; L49-F99 HydrophobicContact CG-CE1 3.98Å; L49-F99 HydrophobicContact CG-CG 4.04Å; V95-F99 PolarHBondContact O-N 3.26Å; V96-F99 PolarHBondContact O-N 3.35Å; V97-F99 VanDerWaalsContact C-N 3.34Å; V97-F99 PolarHBondContact O-N 3.23Å; F99-N101 PolarHBondContact O-N 2.85Å; F99-C102 WeakPolarHBondContact O-CB 3.23Å; F99-C102 PolarHBondContact O-N 3Å; F99-C102 VanDerWaalsContact O-N 3.17Å; F99-I107 HydrophobicContact CE2-CG2 3.84Å; F99-I107 HydrophobicContact CZ-CG2 4.19Å; F99-W110 HydrophobicContact CB-CD2 4.4Å; F99-W110 HydrophobicContact CB-CH2 3.86Å; F99-W110 HydrophobicContact CB-CZ2 3.62Å; F99-W110 HydrophobicContact CB-CZ3 4.32Å; F99-W110 AromaticContact CD2-CD2 3.46Å; F99-W110 HydrophobicContact CD2-CD2 3.46Å; F99-W110 VanDerWaalsContact CD2-CD2 3.46Å; F99-W110 AromaticContact CD2-CE2 3.86Å; F99-W110 AromaticContact CD2-CE3 3.25Å; F99-W110 HydrophobicContact CD2-CE3 3.25Å; F99-W110 HydrophobicContact CD2-CG 4.11Å; F99-W110 AromaticContact CD2-CH2 3.95Å; F99-W110 HydrophobicContact CD2-CH2 3.95Å; F99-W110 HydrophobicContact CD2-CZ2 4.11Å; F99-W110 AromaticContact CD2-CZ3 3.51Å; F99-W110 HydrophobicContact CD2-CZ3 3.51Å; F99-W110 HydrophobicContact CE2-CD2 4.17Å; F99-W110 AromaticContact CE2-CE3 3.62Å; F99-W110 HydrophobicContact CE2-CE3 3.62Å; F99-W110 AromaticContact CE2-CZ3 3.97Å; F99-W110 HydrophobicContact CE2-CZ3 3.97Å; F99-W110 HydrophobicContact CG-CD2 4.37Å; F99-W110 HydrophobicContact CG-CE3 4.2Å; F99-W110 HydrophobicContact CG-CH2 4.09Å; F99-W110 HydrophobicContact CG-CZ2 4.24Å; F99-W110 HydrophobicContact CG-CZ3 4.06Å; F99-L111 HydrophobicContact CE2-CD2 3.87Å; F99-L111 HydrophobicContact CE2-CG 4.2Å; F99-L111 HydrophobicContact CZ-CD2 4.12Å
100	I	89.5	Confident	89	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-34.2	176.5	-66.4	-47.9	0	0	0	111.3	L25 F32 V42 R45 L49 V96 V97	L25-I100 HydrophobicContact CD1-CG2 3.46Å; L25-I100 VanDerWaalsContact CD1-CG2 3.46Å; F32-I100 HydrophobicContact CE1-CG1 4.33Å; F32-I100 HydrophobicContact CE1-CG2 4.44Å; F32-I100 HydrophobicContact CE2-CD1 4.36Å; F32-I100 HydrophobicContact CE2-CG1 3.66Å; F32-I100 HydrophobicContact CZ-CB 4.03Å; F32-I100 HydrophobicContact CZ-CG1 3.38Å; F32-I100 HydrophobicContact CZ-CG2 4.25Å; V42-I100 HydrophobicContact CG1-CD1 4.18Å; V42-I100 HydrophobicContact CG1-CG1 4.49Å; V42-I100 HydrophobicContact CG1-CG2 4.31Å; V42-I100 HydrophobicContact CG2-CG2 4.43Å; R45-I100 HydrophobicContact CB-CD1 3.37Å; R45-I100 HydrophobicContact CG-CD1 4.38Å; R45-I100 PolarHBondContact NH1-O 3.04Å; L49-I100 HydrophobicContact CD1-CD1 4.14Å; L49-I100 HydrophobicContact CD1-CG1 4.37Å; V96-I100 WeakPolarHBondContact O-CG1 3.46Å; V96-I100 PolarHBondContact O-N 3.44Å; V97-I100 PolarHBondContact O-N 3.37Å
101	N	87.8	Confident	88.8	Confident	57 Å²	57	56.5 Å²	56.5	31%	0.305	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.6	177.7	-67.4	-18	0	0	0	113.9	S22 V97 S98 F99 R103	S22-N101 WeakPolarHBondContact CB-OD1 3.24Å; S22-N101 PolarHBondContact O-OD1 2.76Å; V97-N101 WeakPolarHBondContact CG1-ND2 3.4Å; V97-N101 WeakPolarHBondContact O-CB 3.07Å; V97-N101 PolarHBondContact O-N 3.44Å; V97-N101 PolarHBondContact O-ND2 3.19Å; S98-N101 PolarHBondContact O-N 3.45Å; F99-N101 PolarHBondContact O-N 2.85Å; N101-R103 PolarHBondContact O-N 2.85Å
102	C	86.9	Confident	88.3	Confident	17 Å²	17	51.7 Å²	51.7	12%	0.115	27%	0.272	C	S	.	.	S	Bend	trans	-62.9	133.1	177.5	-166.6	0	0	0	0	110.3	R45 S98 F99 I107	R45-C102 VanDerWaalsContact CZ-O 3.3Å; R45-C102 PolarHBondContact NH1-O 2.86Å; R45-C102 PolarHBondContact NH2-O 2.82Å; S98-C102 PolarHBondContact O-N 2.94Å; F99-C102 WeakPolarHBondContact O-CB 3.23Å; F99-C102 PolarHBondContact O-N 3Å; F99-C102 VanDerWaalsContact O-N 3.17Å; C102-I107 HydrophobicContact CB-CG1 4.27Å
103	R	84.6	Confident	87.9	Confident	190 Å²	190	55.2 Å²	55.2	72%	0.717	29%	0.29	S	S	*	.			trans	-70.3	145.1	173	-61.3	-176	-179.2	173.4	0.2	109.6	N101 E105 S106 I107	N101-R103 PolarHBondContact O-N 2.85Å; R103-E105 WeakPolarHBondContact CB-OE2 3.36Å; R103-E105 PolarHBondContact O-N 3.23Å; R103-E105 VanDerWaalsContact O-N 3.09Å; R103-S106 WeakPolarHBondContact O-CA 3.48Å; R103-S106 WeakPolarHBondContact O-CB 3.18Å; R103-S106 PolarHBondContact O-N 3Å; R103-I107 PolarHBondContact O-N 3.47Å
104	D	82.4	Confident	87.6	Confident	52 Å²	52	56.5 Å²	56.5	28%	0.278	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-53.3	-37.7	-174.5	-66.9	-22.6	0	0	0	112.7	R45 S106 I107	R45-D104 IonicContact CZ-OD1 3.92Å; R45-D104 IonicContact NH2-OD1 3.78Å; R45-D104 PolarHBondContact NH2-OD1 2.99Å; D104-S106 PolarHBondContact O-N 3.33Å; D104-I107 PolarHBondContact O-N 3.47Å
105	E	81.9	Confident	87.1	Confident	158 Å²	158	52.3 Å²	52.3	74%	0.738	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-70.7	-19.4	-179.6	-43.3	82.6	-168.7	0	0	113.2	R103	R103-E105 WeakPolarHBondContact CB-OE2 3.36Å; R103-E105 PolarHBondContact O-N 3.23Å; R103-E105 VanDerWaalsContact O-N 3.09Å
106	S	85.9	Confident	86	Confident	55 Å²	55	55.1 Å²	55.1	39%	0.385	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-96.8	-5.6	-179.3	-59.9	0	0	0	0	113.2	R103 D104 S108 K109 W110	R103-S106 WeakPolarHBondContact O-CA 3.48Å; R103-S106 WeakPolarHBondContact O-CB 3.18Å; R103-S106 PolarHBondContact O-N 3Å; D104-S106 PolarHBondContact O-N 3.33Å; S106-S108 PolarHBondContact O-N 3.02Å; S106-K109 WeakPolarHBondContact O-CB 3.1Å; S106-K109 PolarHBondContact O-N 3.25Å; S106-W110 PolarHBondContact O-N 3.26Å
107	I	84.9	Confident	85.2	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-43.6	-173.7	-67.3	174.8	0	0	0	112	L10 L14 F99 C102 R103 D104 K109 W110 L111	L10-I107 HydrophobicContact CD2-CB 4.17Å; L10-I107 HydrophobicContact CD2-CD1 4.13Å; L10-I107 HydrophobicContact CD2-CG2 3.32Å; L14-I107 HydrophobicContact CD1-CD1 3.13Å; F99-I107 HydrophobicContact CE2-CG2 3.84Å; F99-I107 HydrophobicContact CZ-CG2 4.19Å; C102-I107 HydrophobicContact CB-CG1 4.27Å; R103-I107 PolarHBondContact O-N 3.47Å; D104-I107 PolarHBondContact O-N 3.47Å; I107-K109 PolarHBondContact O-N 3.43Å; I107-W110 PolarHBondContact O-N 3.39Å; I107-W110 VanDerWaalsContact O-N 3.09Å; I107-L111 HydrophobicContact CG2-CD1 3.57Å; I107-L111 HydrophobicContact CG2-CG 3.92Å; I107-L111 WeakPolarHBondContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.45Å; I107-L111 PolarHBondContact O-N 2.94Å
108	S	82.7	Confident	84.8	Confident	60 Å²	60	61.3 Å²	61.3	42%	0.42	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-38.7	178.6	-54.5	0	0	0	0	111.8	S106 S112	S106-S108 PolarHBondContact O-N 3.02Å; S108-S112 WeakPolarHBondContact O-CB 3.26Å; S108-S112 PolarHBondContact O-N 2.83Å
109	K	86	Confident	84.2	Confident	133 Å²	133	64.8 Å²	64.8	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-65.4	-50	174.3	-178	-177.7	172.3	-175.6	0	110.9	S106 I107 L111 S112 E113	S106-K109 WeakPolarHBondContact O-CB 3.1Å; S106-K109 PolarHBondContact O-N 3.25Å; I107-K109 PolarHBondContact O-N 3.43Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 3.11Å; K109-S112 PolarHBondContact O-N 2.86Å; K109-S112 VanDerWaalsContact O-N 3.14Å; K109-S112 PolarHBondContact O-OG 2.89Å; K109-E113 WeakPolarHBondContact CE-OE1 3.16Å; K109-E113 IonicContact NZ-OE1 3.78Å; K109-E113 WeakPolarHBondContact O-CG 3.36Å; K109-E113 PolarHBondContact O-N 3.43Å; K109-E113 VanDerWaalsContact O-N 3.1Å
110	W	89.5	Confident	83.4	Confident	15 Å²	15	69.2 Å²	69.2	6%	0.057	35%	0.353	C	S	.	.	H	α-helix	trans	-56.2	-45.5	178.6	-168.8	103.6	0	0	0	111.5	L49 I52 V95 S98 F99 S106 I107 E113 H114	L49-W110 HydrophobicContact CD2-CH2 3.96Å; I52-W110 HydrophobicContact CD1-CZ3 3.96Å; V95-W110 HydrophobicContact CG1-CH2 3.86Å; V95-W110 HydrophobicContact CG1-CZ2 3.71Å; S98-W110 PolarHBondContact OG-NE1 3.44Å; S98-W110 VanDerWaalsContact OG-NE1 3.13Å; F99-W110 HydrophobicContact CB-CD2 4.4Å; F99-W110 HydrophobicContact CB-CH2 3.86Å; F99-W110 HydrophobicContact CB-CZ2 3.62Å; F99-W110 HydrophobicContact CB-CZ3 4.32Å; F99-W110 AromaticContact CD2-CD2 3.46Å; F99-W110 HydrophobicContact CD2-CD2 3.46Å; F99-W110 VanDerWaalsContact CD2-CD2 3.46Å; F99-W110 AromaticContact CD2-CE2 3.86Å; F99-W110 AromaticContact CD2-CE3 3.25Å; F99-W110 HydrophobicContact CD2-CE3 3.25Å; F99-W110 HydrophobicContact CD2-CG 4.11Å; F99-W110 AromaticContact CD2-CH2 3.95Å; F99-W110 HydrophobicContact CD2-CH2 3.95Å; F99-W110 HydrophobicContact CD2-CZ2 4.11Å; F99-W110 AromaticContact CD2-CZ3 3.51Å; F99-W110 HydrophobicContact CD2-CZ3 3.51Å; F99-W110 HydrophobicContact CE2-CD2 4.17Å; F99-W110 AromaticContact CE2-CE3 3.62Å; F99-W110 HydrophobicContact CE2-CE3 3.62Å; F99-W110 AromaticContact CE2-CZ3 3.97Å; F99-W110 HydrophobicContact CE2-CZ3 3.97Å; F99-W110 HydrophobicContact CG-CD2 4.37Å; F99-W110 HydrophobicContact CG-CE3 4.2Å; F99-W110 HydrophobicContact CG-CH2 4.09Å; F99-W110 HydrophobicContact CG-CZ2 4.24Å; F99-W110 HydrophobicContact CG-CZ3 4.06Å; S106-W110 PolarHBondContact O-N 3.26Å; I107-W110 PolarHBondContact O-N 3.39Å; I107-W110 VanDerWaalsContact O-N 3.09Å; W110-E113 PolarHBondContact O-N 3.28Å; W110-H114 AromaticContact CD2-CE1 3.76Å; W110-H114 AromaticContact CD2-ND1 3.46Å; W110-H114 AromaticContact CE2-CE1 3.39Å; W110-H114 AromaticContact CE2-ND1 3.54Å; W110-H114 AromaticContact CE2-NE2 3.81Å; W110-H114 HydrophobicContact CE3-CB 4.11Å; W110-H114 AromaticContact CE3-CG 3.95Å; W110-H114 AromaticContact CE3-ND1 3.68Å; W110-H114 HydrophobicContact CH2-CB 4.03Å; W110-H114 AromaticContact CH2-CD2 3.79Å; W110-H114 AromaticContact CH2-CG 3.68Å; W110-H114 AromaticContact CZ2-CD2 3.72Å; W110-H114 AromaticContact CZ2-CE1 3.69Å; W110-H114 AromaticContact CZ2-CG 3.84Å; W110-H114 AromaticContact CZ2-ND1 3.81Å; W110-H114 AromaticContact CZ2-NE2 3.63Å; W110-H114 HydrophobicContact CZ3-CB 3.73Å; W110-H114 AromaticContact CZ3-CG 3.74Å; W110-H114 AromaticContact CZ3-ND1 3.95Å; W110-H114 AromaticContact NE1-CE1 3.6Å; W110-H114 PolarHBondContact O-N 3.48Å; W110-H114 VanDerWaalsContact O-N 3.15Å; W110-H114 PolarHBondContact O-ND1 3.43Å
111	L	86.5	Confident	83.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-42.6	177.6	-68.7	171.8	0	0	0	111.6	F7 L10 I48 I52 F99 I107 K109 E113 H114 C115	F7-L111 HydrophobicContact CB-CD1 4.41Å; F7-L111 HydrophobicContact CD1-CB 3.97Å; F7-L111 HydrophobicContact CD1-CD1 3.37Å; F7-L111 HydrophobicContact CD1-CG 4.21Å; F7-L111 HydrophobicContact CD2-CB 4.21Å; F7-L111 HydrophobicContact CE1-CB 3.68Å; F7-L111 HydrophobicContact CE1-CD1 3.73Å; F7-L111 HydrophobicContact CE1-CD2 4.36Å; F7-L111 HydrophobicContact CE1-CG 4.13Å; F7-L111 HydrophobicContact CE2-CB 3.94Å; F7-L111 HydrophobicContact CG-CB 4.23Å; F7-L111 HydrophobicContact CG-CD1 3.94Å; F7-L111 HydrophobicContact CZ-CB 3.66Å; L10-L111 HydrophobicContact CD1-CD1 3.88Å; L10-L111 HydrophobicContact CD2-CD1 4.35Å; I48-L111 HydrophobicContact CG2-CD2 4.25Å; I52-L111 HydrophobicContact CD1-CD2 3.52Å; F99-L111 HydrophobicContact CE2-CD2 3.87Å; F99-L111 HydrophobicContact CE2-CG 4.2Å; F99-L111 HydrophobicContact CZ-CD2 4.12Å; I107-L111 HydrophobicContact CG2-CD1 3.57Å; I107-L111 HydrophobicContact CG2-CG 3.92Å; I107-L111 WeakPolarHBondContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.45Å; I107-L111 PolarHBondContact O-N 2.94Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 3.11Å; L111-E113 PolarHBondContact O-N 3.14Å; L111-H114 PolarHBondContact O-N 3.1Å; L111-C115 WeakPolarHBondContact O-CA 3.43Å; L111-C115 WeakPolarHBondContact O-CB 3.32Å; L111-C115 PolarHBondContact O-N 2.86Å; L111-C115 PolarHBondContact O-SG 3.49Å; L111-C115 VanDerWaalsContact O-SG 3.4Å
112	S	82.8	Confident	83.1	Confident	58 Å²	58	74.7 Å²	74.7	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-34.2	176.3	73	0	0	0	0	113.1	S108 K109 C116	S108-S112 WeakPolarHBondContact O-CB 3.26Å; S108-S112 PolarHBondContact O-N 2.83Å; K109-S112 PolarHBondContact O-N 2.86Å; K109-S112 VanDerWaalsContact O-N 3.14Å; K109-S112 PolarHBondContact O-OG 2.89Å; S112-C116 WeakPolarHBondContact O-CB 3.43Å
113	E	86.6	Confident	83.2	Confident	110 Å²	110	77.3 Å²	77.3	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-74.9	-29.9	178.5	-69.4	171.6	174.1	0	0	112.7	K109 W110 L111	K109-E113 WeakPolarHBondContact CE-OE1 3.16Å; K109-E113 IonicContact NZ-OE1 3.78Å; K109-E113 WeakPolarHBondContact O-CG 3.36Å; K109-E113 PolarHBondContact O-N 3.43Å; K109-E113 VanDerWaalsContact O-N 3.1Å; W110-E113 PolarHBondContact O-N 3.28Å; L111-E113 PolarHBondContact O-N 3.14Å
114	H	87.1	Confident	83.6	Confident	65 Å²	65	68.3 Å²	68.3	30%	0.301	36%	0.36	S	S	.	.	H	α-helix	trans	-104.5	-11.6	-174.6	-64.8	77.7	0	0	0	114.3	W110 L111	W110-H114 AromaticContact CD2-CE1 3.76Å; W110-H114 AromaticContact CD2-ND1 3.46Å; W110-H114 AromaticContact CE2-CE1 3.39Å; W110-H114 AromaticContact CE2-ND1 3.54Å; W110-H114 AromaticContact CE2-NE2 3.81Å; W110-H114 HydrophobicContact CE3-CB 4.11Å; W110-H114 AromaticContact CE3-CG 3.95Å; W110-H114 AromaticContact CE3-ND1 3.68Å; W110-H114 HydrophobicContact CH2-CB 4.03Å; W110-H114 AromaticContact CH2-CD2 3.79Å; W110-H114 AromaticContact CH2-CG 3.68Å; W110-H114 AromaticContact CZ2-CD2 3.72Å; W110-H114 AromaticContact CZ2-CE1 3.69Å; W110-H114 AromaticContact CZ2-CG 3.84Å; W110-H114 AromaticContact CZ2-ND1 3.81Å; W110-H114 AromaticContact CZ2-NE2 3.63Å; W110-H114 HydrophobicContact CZ3-CB 3.73Å; W110-H114 AromaticContact CZ3-CG 3.74Å; W110-H114 AromaticContact CZ3-ND1 3.95Å; W110-H114 AromaticContact NE1-CE1 3.6Å; W110-H114 PolarHBondContact O-N 3.48Å; W110-H114 VanDerWaalsContact O-N 3.15Å; W110-H114 PolarHBondContact O-ND1 3.43Å; L111-H114 PolarHBondContact O-N 3.1Å
115	C	82.1	Confident	84.1	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.02	35%	0.349	C	S	.	.	S	Bend	trans	-118.5	10.2	-175.8	-58.6	0	0	0	0	114.2	F7 L111 N117 F118	F7-C115 HydrophobicContact CZ-CB 4.05Å; L111-C115 WeakPolarHBondContact O-CA 3.43Å; L111-C115 WeakPolarHBondContact O-CB 3.32Å; L111-C115 PolarHBondContact O-N 2.86Å; L111-C115 PolarHBondContact O-SG 3.49Å; L111-C115 VanDerWaalsContact O-SG 3.4Å; C115-N117 PolarHBondContact O-N 2.95Å; C115-N117 VanDerWaalsContact O-N 3.1Å; C115-F118 VanDerWaalsContact CA-CE2 3.45Å; C115-F118 HydrophobicContact CB-CD2 3.6Å; C115-F118 HydrophobicContact CB-CE2 3.63Å; C115-F118 PolarHBondContact O-N 3.31Å
116	C	70.2	Confident	84.9	Confident	90 Å²	90	58.9 Å²	58.9	61%	0.608	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.8	-170.4	58.7	0	0	0	0	115.8	S112	S112-C116 WeakPolarHBondContact O-CB 3.43Å
117	N	77	Confident	85.4	Confident	140 Å²	140	56.3 Å²	56.3	75%	0.749	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	7.5	-174	-65.9	-39.3	0	0	0	114.1	C115	C115-N117 PolarHBondContact O-N 2.95Å; C115-N117 VanDerWaalsContact O-N 3.1Å
118	F	82.6	Confident	86	Confident	25 Å²	25	56.2 Å²	56.2	11%	0.11	30%	0.295	C	S	.	.			trans	-88.4	136.6	-177.1	-53.8	-32.7	0	0	0	111.5	L3 I52 L55 N56 C115 Q122	L3-F118 HydrophobicContact CD1-CB 4.22Å; I52-F118 HydrophobicContact CG2-CE2 4.18Å; I52-F118 HydrophobicContact CG2-CZ 4.29Å; L55-F118 HydrophobicContact CB-CD1 3.82Å; L55-F118 HydrophobicContact CB-CD2 4Å; L55-F118 HydrophobicContact CB-CE1 3.67Å; L55-F118 HydrophobicContact CB-CE2 3.82Å; L55-F118 HydrophobicContact CB-CG 4Å; L55-F118 HydrophobicContact CB-CZ 3.67Å; L55-F118 HydrophobicContact CD1-CB 4.45Å; L55-F118 HydrophobicContact CD1-CD2 3.48Å; L55-F118 VanDerWaalsContact CD1-CD2 3.48Å; L55-F118 HydrophobicContact CD1-CE2 3.76Å; L55-F118 HydrophobicContact CD1-CG 3.96Å; L55-F118 HydrophobicContact CD1-CZ 4.49Å; L55-F118 HydrophobicContact CG-CD2 4.3Å; L55-F118 HydrophobicContact CG-CE2 4.43Å; L55-F118 HydrophobicContact CG-CG 4.43Å; N56-F118 WeakPolarHBondContact OD1-CE1 3.13Å; N56-F118 VanDerWaalsContact OD1-CZ 3.32Å; N56-F118 WeakPolarHBondContact OD1-CZ 3.48Å; C115-F118 VanDerWaalsContact CA-CE2 3.45Å; C115-F118 HydrophobicContact CB-CD2 3.6Å; C115-F118 HydrophobicContact CB-CE2 3.63Å; C115-F118 PolarHBondContact O-N 3.31Å; F118-Q122 VanDerWaalsContact CA-OE1 3.31Å
119	Q	79.4	Confident	86.7	Confident	130 Å²	130	53.3 Å²	53.3	61%	0.607	28%	0.275	S	S	*	.			trans	-85.6	146.5	173.2	-56.4	179.6	-45.3	0	0	109.8	D121 Q122	Q119-D121 WeakPolarHBondContact CB-OD1 3.38Å; Q119-D121 PolarHBondContact O-N 3.09Å; Q119-Q122 HydrophobicContact CB-CG 4.14Å; Q119-Q122 WeakPolarHBondContact O-CB 3.48Å; Q119-Q122 PolarHBondContact O-N 3.5Å; Q119-Q122 VanDerWaalsContact O-N 3.11Å
120	D	75.8	Confident	87.3	Confident	92 Å²	92	47.9 Å²	47.9	49%	0.492	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.2	-175.5	-80.5	-31.2	0	0	0	113.8	R6	R6-D120 PolarHBondContact NH2-O 3.12Å
121	D	81.9	Confident	87.8	Confident	129 Å²	129	47.2 Å²	47.2	69%	0.69	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.6	178.5	66.8	-30.5	0	0	0	113.7	Q119 L123	Q119-D121 WeakPolarHBondContact CB-OD1 3.38Å; Q119-D121 PolarHBondContact O-N 3.09Å; D121-L123 PolarHBondContact O-N 3.03Å
122	Q	87.4	Confident	88.3	Confident	45 Å²	45	47.4 Å²	47.4	21%	0.21	25%	0.25	C	S	.	.			trans	-70.5	128.1	173.7	-69.7	-176.4	-72.3	0	0	110.9	L55 F118 Q119	L55-Q122 HydrophobicContact CD2-CB 3.53Å; F118-Q122 VanDerWaalsContact CA-OE1 3.31Å; Q119-Q122 HydrophobicContact CB-CG 4.14Å; Q119-Q122 WeakPolarHBondContact O-CB 3.48Å; Q119-Q122 PolarHBondContact O-N 3.5Å; Q119-Q122 VanDerWaalsContact O-N 3.11Å
123	L	89.4	Confident	89.1	Confident	72 Å²	72	44.9 Å²	44.9	38%	0.377	23%	0.232	S	C	.	.			trans	-110	109.4	-177.2	-167.9	56.3	0	0	0	110.4	C59 D121 H125 H151 I153	C59-L123 WeakPolarHBondContact CB-O 3.43Å; D121-L123 PolarHBondContact O-N 3.03Å; L123-H125 PolarHBondContact O-CD2 2.87Å; L123-H151 WeakPolarHBondContact CD1-O 3.41Å; L123-I153 HydrophobicContact CD1-CG1 4.16Å; L123-I153 HydrophobicContact CD2-CD1 3.25Å; L123-I153 HydrophobicContact CD2-CG1 3.71Å; L123-I153 HydrophobicContact CG-CD1 3.86Å; L123-I153 HydrophobicContact CG-CG1 3.88Å
124	P	93	Very high	89.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.			trans	-71.1	140	176.4	17.8	-18.8	0	0	0	111.5	C51 L55 G152 I153	C51-P124 HydrophobicContact CB-CB 3.73Å; C51-P124 HydrophobicContact CB-CG 3.75Å; C51-P124 WeakPolarHBondContact O-CB 3.22Å; L55-P124 HydrophobicContact CD1-CG 4.33Å; L55-P124 HydrophobicContact CD2-CB 4.35Å; L55-P124 HydrophobicContact CD2-CG 4.3Å; L55-P124 HydrophobicContact CG-CB 4.07Å; L55-P124 HydrophobicContact CG-CG 4.19Å; P124-G152 CarbonylContact O-C 3.49Å; P124-G152 VanDerWaalsContact O-CA 3.27Å; P124-G152 WeakPolarHBondContact O-CA 3.46Å; P124-I153 PolarHBondContact O-N 3.22Å
125	H	94.4	Very high	90.1	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.06	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127	176.4	-71.3	-108.6	0	0	0	110.1	S54 C59 A61 V62 L123 H155 L178	S54-H125 PolarHBondContact OG-N 3.26Å; S54-H125 PolarHBondContact OG-O 2.71Å; C59-H125 PolarHBondContact O-CD2 2.95Å; A61-H125 WeakPolarHBondContact CA-O 3.4Å; A61-H125 HydrophobicContact CB-CB 3.85Å; V62-H125 PolarHBondContact N-O 3.34Å; L123-H125 PolarHBondContact O-CD2 2.87Å; H125-H155 AromaticContact CG-NE2 3.99Å; H125-H155 AromaticContact ND1-CE1 3.94Å; H125-H155 AromaticContact ND1-NE2 3.11Å; H125-H155 PolarHBondContact ND1-NE2 3.32Å; H125-H155 VanDerWaalsContact ND1-NE2 3.11Å; H125-L178 HydrophobicContact CB-CD1 4.25Å
126	V	96.8	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.3	176.3	179	0	0	0	0	109.3	A50 V62 I64 V147 I153 C154 H155	A50-V126 HydrophobicContact CB-CG1 4.11Å; A50-V126 HydrophobicContact CB-CG2 3.76Å; V62-V126 CarbonylContact O-C 3.55Å; V62-V126 VanDerWaalsContact O-CA 3.26Å; V62-V126 WeakPolarHBondContact O-CA 3.26Å; I64-V126 HydrophobicContact CD1-CG1 3.92Å; I64-V126 HydrophobicContact CG1-CG1 4.24Å; V126-V147 HydrophobicContact CB-CG1 4.44Å; V126-V147 HydrophobicContact CB-CG2 3.98Å; V126-V147 HydrophobicContact CG1-CG2 4.02Å; V126-V147 HydrophobicContact CG2-CG1 4.37Å; V126-V147 HydrophobicContact CG2-CG2 3.91Å; V126-I153 PolarHBondContact N-O 3.23Å; V126-C154 CarbonylContact O-C 3.53Å; V126-C154 WeakPolarHBondContact O-CA 3.45Å; V126-H155 PolarHBondContact O-CD2 2.88Å; V126-H155 PolarHBondContact O-N 3.45Å
127	V	96.6	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.2	169.8	-179.8	0	0	0	0	108.1	A61 V62 G63 I64 H155 L157 L165 F168 V169 I172	A61-V127 HydrophobicContact CB-CG2 4.24Å; V62-V127 PolarHBondContact O-N 3.27Å; G63-V127 CarbonylContact C-O 3.54Å; G63-V127 WeakPolarHBondContact CA-O 3.5Å; I64-V127 PolarHBondContact N-O 3.32Å; V127-H155 WeakPolarHBondContact CA-O 3.32Å; V127-H155 HydrophobicContact CG2-CB 4.27Å; V127-L157 HydrophobicContact CG1-CD1 3.59Å; V127-L157 HydrophobicContact CG1-CG 3.87Å; V127-L165 HydrophobicContact CG1-CD1 4.46Å; V127-L165 HydrophobicContact CG1-CG 4.37Å; V127-F168 HydrophobicContact CG1-CD1 3.75Å; V127-F168 HydrophobicContact CG1-CE1 4.16Å; V127-F168 HydrophobicContact CG2-CD1 4.05Å; V127-F168 HydrophobicContact CG2-CE1 4.11Å; V127-V169 HydrophobicContact CB-CG2 3.83Å; V127-V169 HydrophobicContact CG1-CG2 4.15Å; V127-V169 HydrophobicContact CG2-CG2 3.96Å; V127-I172 HydrophobicContact CG2-CD1 3.32Å
128	L	98.2	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126	-177	176.9	59	0	0	0	110.3	I64 I66 A140 V143 H155 L157	I64-L128 HydrophobicContact CB-CD1 4.12Å; I64-L128 HydrophobicContact CG2-CD1 3.99Å; I66-L128 HydrophobicContact CD1-CD1 3.91Å; I66-L128 HydrophobicContact CG1-CD1 4.26Å; L128-A140 HydrophobicContact CD2-CB 4.01Å; L128-A140 WeakPolarHBondContact CD2-O 3.06Å; L128-A140 HydrophobicContact CG-CB 4.49Å; L128-V143 HydrophobicContact CD1-CB 4.26Å; L128-V143 HydrophobicContact CD1-CG1 3.98Å; L128-V143 HydrophobicContact CD1-CG2 4.44Å; L128-V143 HydrophobicContact CD2-CB 4.18Å; L128-V143 HydrophobicContact CD2-CG1 4.03Å; L128-H155 PolarHBondContact N-O 3.42Å; L128-L157 PolarHBondContact O-N 2.95Å
129	G	98.3	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.2	172.3	0	0	0	0	0	111	I64 I66 G158	I64-G129 PolarHBondContact O-N 2.69Å; I64-G129 VanDerWaalsContact O-N 3.1Å; I66-G129 PolarHBondContact N-O 3.21Å; G129-G158 WeakPolarHBondContact CA-O 3.43Å
130	F	98.7	Very high	94.7	Very high	19 Å²	19	33.3 Å²	33.3	8%	0.083	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.1	-176.7	55.8	-102.3	0	0	0	113	I66 P137 A140 G158 L159 V160	I66-F130 HydrophobicContact CB-CB 3.75Å; I66-F130 HydrophobicContact CD1-CB 4.33Å; I66-F130 HydrophobicContact CG1-CB 4.44Å; I66-F130 HydrophobicContact CG2-CB 4.49Å; I66-F130 VanDerWaalsContact O-CA 3.29Å; I66-F130 WeakPolarHBondContact O-CA 3.46Å; F130-P137 HydrophobicContact CE2-CG 4.35Å; F130-A140 HydrophobicContact CD1-CB 3.55Å; F130-A140 HydrophobicContact CE1-CB 3.71Å; F130-A140 HydrophobicContact CG-CB 4.47Å; F130-G158 PolarHBondContact N-O 2.86Å; F130-L159 HydrophobicContact CD2-CD2 3.83Å; F130-L159 HydrophobicContact CD2-CG 4.46Å; F130-L159 HydrophobicContact CE2-CD2 3.71Å; F130-L159 HydrophobicContact CE2-CG 3.96Å; F130-L159 WeakPolarHBondContact O-CA 3.25Å; F130-V160 PolarHBondContact O-N 3.37Å
131	D	98.3	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.184	C	C	.	.			trans	-82.4	-174.6	176	74.8	10.5	0	0	0	112.9	M65 I66 T67 A68 R133 S136 L159 V222	M65-D131 HydrophobicContact CE-CB 4.39Å; I66-D131 PolarHBondContact O-N 2.99Å; T67-D131 WeakPolarHBondContact CA-OD2 3.43Å; T67-D131 WeakPolarHBondContact CB-OD2 3.41Å; T67-D131 PolarHBondContact OG1-OD2 3.14Å; A68-D131 PolarHBondContact N-OD2 2.77Å; D131-R133 VanDerWaalsContact C-N 3.28Å; D131-R133 PolarHBondContact O-N 2.99Å; D131-R133 WeakPolarHBondContact OD1-CB 3.37Å; D131-R133 VanDerWaalsContact OD1-CD 3.27Å; D131-R133 WeakPolarHBondContact OD1-CD 3.41Å; D131-R133 WeakPolarHBondContact OD1-CG 3.43Å; D131-R133 PolarHBondContact OD1-N 2.85Å; D131-R133 VanDerWaalsContact OD1-N 3.11Å; D131-R133 IonicContact OD1-NE 3.06Å; D131-R133 WeakPolarHBondContact OD2-CD 3.14Å; D131-R133 IonicContact OD2-NE 3.98Å; D131-R133 PolarHBondContact OD2-NE 3.31Å; D131-S136 WeakPolarHBondContact O-CB 3.31Å; D131-S136 PolarHBondContact OD1-OG 3.35Å; D131-L159 WeakPolarHBondContact O-CD2 3.31Å; D131-V222 HydrophobicContact CB-CG1 4.22Å
132	T	98.3	Very high	96.4	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	16%	0.157	C	C	.	.	S	Bend	trans	-78	1.6	-172.5	45.9	0	0	0	0	115.7	L159 V222 T252 K255	T132-L159 HydrophobicContact CG2-CD2 4.09Å; T132-V222 HydrophobicContact CG2-CB 3.87Å; T132-V222 HydrophobicContact CG2-CG2 4.27Å; T132-T252 HydrophobicContact CG2-CG2 3.88Å; T132-K255 VanDerWaalsContact O-CD 3.28Å; T132-K255 WeakPolarHBondContact O-CD 3.42Å; T132-K255 WeakPolarHBondContact O-CE 3.28Å; T132-K255 PolarHBondContact O-NZ 2.75Å
133	R	98.3	Very high	96.9	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.019	15%	0.147	C	C	.	.			trans	-61.7	150.7	-176.6	-68.5	164.7	-172.4	-84.3	-12.2	112.5	A68 S69 N71 P72 P73 D75 D131 S135 S136 L258	A68-R133 VanDerWaalsContact CA-CZ 3.45Å; A68-R133 VanDerWaalsContact CA-NE 3.33Å; S69-R133 PolarHBondContact O-NH2 2.86Å; N71-R133 PolarHBondContact O-NH2 2.91Å; P72-R133 PolarHBondContact O-NH1 2.93Å; P73-R133 PolarHBondContact O-NH1 3.05Å; D75-R133 WeakPolarHBondContact O-CD 3.2Å; D75-R133 PolarHBondContact O-NH1 3.35Å; D131-R133 VanDerWaalsContact C-N 3.28Å; D131-R133 PolarHBondContact O-N 2.99Å; D131-R133 WeakPolarHBondContact OD1-CB 3.37Å; D131-R133 VanDerWaalsContact OD1-CD 3.27Å; D131-R133 WeakPolarHBondContact OD1-CD 3.41Å; D131-R133 WeakPolarHBondContact OD1-CG 3.43Å; D131-R133 PolarHBondContact OD1-N 2.85Å; D131-R133 VanDerWaalsContact OD1-N 3.11Å; D131-R133 IonicContact OD1-NE 3.06Å; D131-R133 WeakPolarHBondContact OD2-CD 3.14Å; D131-R133 IonicContact OD2-NE 3.98Å; D131-R133 PolarHBondContact OD2-NE 3.31Å; R133-S135 VanDerWaalsContact C-N 3.29Å; R133-S135 PolarHBondContact O-N 3.36Å; R133-S136 WeakPolarHBondContact O-CB 3.47Å; R133-S136 PolarHBondContact O-N 3.29Å; R133-L258 HydrophobicContact CG-CD2 3.62Å
134	E	97.7	Very high	97.2	Very high	153 Å²	153	26.2 Å²	26.2	72%	0.715	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-39.5	179.6	-171.2	178.4	-175.4	0	0	112.7	S136 P137 K255	E134-S136 VanDerWaalsContact C-N 3.32Å; E134-S136 PolarHBondContact O-N 3.03Å; E134-P137 WeakPolarHBondContact O-CD 3.48Å; E134-K255 HydrophobicContact CB-CG 4.19Å
135	S	97.6	Very high	97.3	Very high	26 Å²	26	28.5 Å²	28.5	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-17.2	-178.5	54.1	0	0	0	0	114.2	A36 N76 R133 A138 L139	A36-S135 WeakPolarHBondContact CB-OG 3.22Å; N76-S135 PolarHBondContact ND2-OG 3.07Å; R133-S135 VanDerWaalsContact C-N 3.29Å; R133-S135 PolarHBondContact O-N 3.36Å; S135-A138 PolarHBondContact O-N 3.33Å; S135-L139 WeakPolarHBondContact O-CG 3.28Å; S135-L139 PolarHBondContact O-N 2.92Å; S135-L139 VanDerWaalsContact O-N 3.08Å
136	S	98.2	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-46.5	-171.8	-77.3	0	0	0	0	113.8	N76 D131 R133 E134 A138 L139 A140	N76-S136 PolarHBondContact ND2-OG 3.07Å; D131-S136 WeakPolarHBondContact O-CB 3.31Å; D131-S136 PolarHBondContact OD1-OG 3.35Å; R133-S136 WeakPolarHBondContact O-CB 3.47Å; R133-S136 PolarHBondContact O-N 3.29Å; E134-S136 VanDerWaalsContact C-N 3.32Å; E134-S136 PolarHBondContact O-N 3.03Å; S136-A138 PolarHBondContact O-N 2.89Å; S136-L139 PolarHBondContact O-N 2.86Å; S136-A140 WeakPolarHBondContact O-CB 3.29Å; S136-A140 PolarHBondContact O-N 2.85Å
137	P	98	Very high	97.1	Very high	72 Å²	72	27.9 Å²	27.9	47%	0.468	15%	0.152	S	C	.	.	H	α-helix	trans	-62	-37.9	177.2	-25.5	35.9	0	0	0	114.2	F130 E134 A140 N141	F130-P137 HydrophobicContact CE2-CG 4.35Å; E134-P137 WeakPolarHBondContact O-CD 3.48Å; P137-A140 PolarHBondContact O-N 3.05Å; P137-N141 PolarHBondContact O-N 3.25Å
138	A	97.1	Very high	97	Very high	62 Å²	62	32.1 Å²	32.1	51%	0.512	18%	0.175	S	C	.	.	H	α-helix	trans	-67.9	-45	178.7	0	0	0	0	0	111.2	S135 S136 A140 N141 E142	S135-A138 PolarHBondContact O-N 3.33Å; S136-A138 PolarHBondContact O-N 2.89Å; A138-A140 VanDerWaalsContact C-N 3.33Å; A138-A140 PolarHBondContact O-N 2.96Å; A138-N141 PolarHBondContact O-N 2.71Å; A138-E142 PolarHBondContact O-N 3.17Å
139	L	97.2	Very high	96.5	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-38.4	174.9	-66.4	172.9	0	0	0	111.8	L39 A43 I66 N76 S135 S136 N141 E142 V143	L39-L139 HydrophobicContact CB-CD1 4.37Å; L39-L139 HydrophobicContact CB-CD2 3.74Å; L39-L139 HydrophobicContact CD1-CD1 4.09Å; A43-L139 HydrophobicContact CB-CB 4.46Å; A43-L139 HydrophobicContact CB-CD2 4.05Å; I66-L139 HydrophobicContact CD1-CB 3.93Å; I66-L139 HydrophobicContact CG2-CB 4.16Å; I66-L139 HydrophobicContact CG2-CD1 3.94Å; N76-L139 HydrophobicContact CB-CD1 3.99Å; S135-L139 WeakPolarHBondContact O-CG 3.28Å; S135-L139 PolarHBondContact O-N 2.92Å; S135-L139 VanDerWaalsContact O-N 3.08Å; S136-L139 PolarHBondContact O-N 2.86Å; L139-N141 VanDerWaalsContact C-N 3.33Å; L139-N141 PolarHBondContact O-N 3.3Å; L139-E142 WeakPolarHBondContact O-CB 3.5Å; L139-E142 PolarHBondContact O-N 2.78Å; L139-V143 WeakPolarHBondContact O-CG2 3.43Å; L139-V143 PolarHBondContact O-N 2.76Å
140	A	98.1	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-42.3	175.4	0	0	0	0	0	111.7	I66 L128 F130 S136 P137 A138 E142 V143 K144	I66-A140 VanDerWaalsContact CD1-CA 3.42Å; I66-A140 HydrophobicContact CD1-CB 3.77Å; I66-A140 VanDerWaalsContact CD1-N 3.28Å; L128-A140 HydrophobicContact CD2-CB 4.01Å; L128-A140 WeakPolarHBondContact CD2-O 3.06Å; L128-A140 HydrophobicContact CG-CB 4.49Å; F130-A140 HydrophobicContact CD1-CB 3.55Å; F130-A140 HydrophobicContact CE1-CB 3.71Å; F130-A140 HydrophobicContact CG-CB 4.47Å; S136-A140 WeakPolarHBondContact O-CB 3.29Å; S136-A140 PolarHBondContact O-N 2.85Å; P137-A140 PolarHBondContact O-N 3.05Å; A138-A140 VanDerWaalsContact C-N 3.33Å; A138-A140 PolarHBondContact O-N 2.96Å; A140-E142 VanDerWaalsContact C-N 3.33Å; A140-E142 PolarHBondContact O-N 2.97Å; A140-V143 PolarHBondContact O-N 2.67Å; A140-K144 WeakPolarHBondContact O-CB 3.38Å; A140-K144 PolarHBondContact O-N 3.36Å
141	N	97.5	Very high	95.6	Very high	89 Å²	89	36.1 Å²	36.1	48%	0.476	20%	0.195	S	C	.	.	H	α-helix	trans	-64.2	-37.7	175.1	-175.7	58.5	0	0	0	112.2	P137 A138 L139 K144 Q145	P137-N141 PolarHBondContact O-N 3.25Å; A138-N141 PolarHBondContact O-N 2.71Å; L139-N141 VanDerWaalsContact C-N 3.33Å; L139-N141 PolarHBondContact O-N 3.3Å; N141-K144 WeakPolarHBondContact O-CB 3.4Å; N141-K144 PolarHBondContact O-N 2.93Å; N141-Q145 PolarHBondContact ND2-NE2 3Å; N141-Q145 WeakPolarHBondContact O-CG 3.43Å; N141-Q145 PolarHBondContact O-N 2.71Å
142	E	95.5	Very high	95.3	Very high	26 Å²	26	36.6 Å²	36.6	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-46.2	172.8	-79	-171.6	-155.7	0	0	112.5	F17 G40 G41 A43 I44 A138 L139 A140 K144 Q145 G146	F17-E142 HydrophobicContact CE1-CG 4.19Å; F17-E142 WeakPolarHBondContact CE1-OE1 3.19Å; F17-E142 HydrophobicContact CZ-CG 4.49Å; G40-E142 WeakPolarHBondContact CA-OE2 3.41Å; G41-E142 PolarHBondContact N-OE2 3.36Å; A43-E142 HydrophobicContact CB-CB 3.6Å; I44-E142 WeakPolarHBondContact CA-O 3.33Å; I44-E142 HydrophobicContact CD1-CG 4.36Å; I44-E142 HydrophobicContact CG1-CB 3.69Å; I44-E142 HydrophobicContact CG1-CG 3.98Å; A138-E142 PolarHBondContact O-N 3.17Å; L139-E142 WeakPolarHBondContact O-CB 3.5Å; L139-E142 PolarHBondContact O-N 2.78Å; A140-E142 VanDerWaalsContact C-N 3.33Å; A140-E142 PolarHBondContact O-N 2.97Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.48Å; E142-Q145 WeakPolarHBondContact O-CB 3.2Å; E142-Q145 PolarHBondContact O-N 3.15Å; E142-Q145 VanDerWaalsContact O-N 3.13Å; E142-G146 PolarHBondContact O-N 3.32Å; E142-G146 VanDerWaalsContact O-N 3.1Å
143	V	96.8	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-53.8	-47.9	173.2	169.5	0	0	0	0	110.3	A43 I64 I66 M78 L128 L139 A140 Q145 G146 V147	A43-V143 HydrophobicContact CB-CG2 4.03Å; A43-V143 WeakPolarHBondContact O-CA 3.35Å; A43-V143 WeakPolarHBondContact O-CG2 3.5Å; I64-V143 HydrophobicContact CD1-CG1 3.41Å; I64-V143 VanDerWaalsContact CD1-CG1 3.41Å; I64-V143 HydrophobicContact CD1-CG2 4.43Å; I64-V143 HydrophobicContact CG2-CG1 4.48Å; I64-V143 HydrophobicContact CG2-CG2 4.21Å; I66-V143 HydrophobicContact CD1-CG2 4.31Å; M78-V143 HydrophobicContact SD-CG2 4.43Å; L128-V143 HydrophobicContact CD1-CB 4.26Å; L128-V143 HydrophobicContact CD1-CG1 3.98Å; L128-V143 HydrophobicContact CD1-CG2 4.44Å; L128-V143 HydrophobicContact CD2-CB 4.18Å; L128-V143 HydrophobicContact CD2-CG1 4.03Å; L139-V143 WeakPolarHBondContact O-CG2 3.43Å; L139-V143 PolarHBondContact O-N 2.76Å; A140-V143 PolarHBondContact O-N 2.67Å; V143-Q145 VanDerWaalsContact C-N 3.31Å; V143-Q145 PolarHBondContact O-N 3.23Å; V143-G146 WeakPolarHBondContact O-CA 3.47Å; V143-G146 PolarHBondContact O-N 3.11Å; V143-V147 HydrophobicContact CG1-CG2 4.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.06Å; V143-V147 PolarHBondContact O-N 3.45Å
144	K	96.7	Very high	94.9	Very high	73 Å²	73	40 Å²	40	32%	0.317	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-38.8	179.4	-170.6	175.2	-169.8	161.9	0	112.5	A140 N141 E142 G146 V147 N148 E156	A140-K144 WeakPolarHBondContact O-CB 3.38Å; A140-K144 PolarHBondContact O-N 3.36Å; N141-K144 WeakPolarHBondContact O-CB 3.4Å; N141-K144 PolarHBondContact O-N 2.93Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 3.48Å; K144-G146 VanDerWaalsContact C-N 3.33Å; K144-V147 PolarHBondContact O-N 2.97Å; K144-N148 WeakPolarHBondContact O-CB 3.37Å; K144-N148 PolarHBondContact O-N 2.89Å; K144-N148 PolarHBondContact O-ND2 3.5Å; K144-E156 IonicContact NZ-OE2 2.66Å; K144-E156 PolarHBondContact NZ-OE2 2.79Å
145	Q	94.3	Very high	94.7	Very high	49 Å²	49	33.9 Å²	33.9	23%	0.229	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-43.6	173.3	-69.4	169.9	38.7	0	0	111.4	L13 N141 E142 V143 N148 V149	L13-Q145 HydrophobicContact CD2-CB 4.23Å; N141-Q145 PolarHBondContact ND2-NE2 3Å; N141-Q145 WeakPolarHBondContact O-CG 3.43Å; N141-Q145 PolarHBondContact O-N 2.71Å; E142-Q145 WeakPolarHBondContact O-CB 3.2Å; E142-Q145 PolarHBondContact O-N 3.15Å; E142-Q145 VanDerWaalsContact O-N 3.13Å; V143-Q145 VanDerWaalsContact C-N 3.31Å; V143-Q145 PolarHBondContact O-N 3.23Å; Q145-N148 PolarHBondContact O-N 3.47Å; Q145-V149 WeakPolarHBondContact O-CG2 3.38Å; Q145-V149 PolarHBondContact O-N 3.32Å
146	G	93.1	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-45.9	174.4	0	0	0	0	0	113.1	I44 I48 E142 V143 K144 V149 M150	I44-G146 WeakPolarHBondContact O-CA 3.21Å; I48-G146 WeakPolarHBondContact CG1-O 3.42Å; E142-G146 PolarHBondContact O-N 3.32Å; E142-G146 VanDerWaalsContact O-N 3.1Å; V143-G146 WeakPolarHBondContact O-CA 3.47Å; V143-G146 PolarHBondContact O-N 3.11Å; K144-G146 VanDerWaalsContact C-N 3.33Å; G146-V149 PolarHBondContact O-N 3.45Å; G146-M150 PolarHBondContact O-N 2.92Å
147	V	94.9	Very high	94.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-44.1	177	176.3	0	0	0	0	111.5	V126 V143 K144 V149 M150 H151 G152 C154	V126-V147 HydrophobicContact CB-CG1 4.44Å; V126-V147 HydrophobicContact CB-CG2 3.98Å; V126-V147 HydrophobicContact CG1-CG2 4.02Å; V126-V147 HydrophobicContact CG2-CG1 4.37Å; V126-V147 HydrophobicContact CG2-CG2 3.91Å; V143-V147 HydrophobicContact CG1-CG2 4.32Å; V143-V147 WeakPolarHBondContact O-CG2 3.06Å; V143-V147 PolarHBondContact O-N 3.45Å; K144-V147 PolarHBondContact O-N 2.97Å; V147-V149 VanDerWaalsContact C-N 3.35Å; V147-V149 PolarHBondContact O-N 2.99Å; V147-M150 CarbonylContact O-C 3.54Å; V147-M150 PolarHBondContact O-N 2.97Å; V147-M150 VanDerWaalsContact O-N 3.13Å; V147-H151 PolarHBondContact O-N 2.74Å; V147-G152 PolarHBondContact O-N 2.87Å; V147-C154 HydrophobicContact CB-CB 4.42Å; V147-C154 HydrophobicContact CG1-CB 3.9Å
148	N	93.2	Very high	94.3	Very high	89 Å²	89	35.9 Å²	35.9	48%	0.476	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-37.9	-179.7	-73	-21.4	0	0	0	112.6	K144 Q145 M150 H151	K144-N148 WeakPolarHBondContact O-CB 3.37Å; K144-N148 PolarHBondContact O-N 2.89Å; K144-N148 PolarHBondContact O-ND2 3.5Å; Q145-N148 PolarHBondContact O-N 3.47Å; N148-M150 PolarHBondContact O-N 3.44Å; N148-H151 WeakPolarHBondContact O-CA 3.23Å; N148-H151 PolarHBondContact O-N 3.41Å
149	V	89	Confident	94.3	Very high	21 Å²	21	36.7 Å²	36.7	13%	0.127	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-36.1	175.3	167.8	0	0	0	0	111.4	L10 L13 Q145 G146 V147 H151	L10-V149 HydrophobicContact CB-CG1 3.97Å; L10-V149 HydrophobicContact CD1-CG1 4.09Å; L10-V149 HydrophobicContact CG-CG1 4.41Å; L13-V149 HydrophobicContact CD2-CG2 3.61Å; Q145-V149 WeakPolarHBondContact O-CG2 3.38Å; Q145-V149 PolarHBondContact O-N 3.32Å; G146-V149 PolarHBondContact O-N 3.45Å; V147-V149 VanDerWaalsContact C-N 3.35Å; V147-V149 PolarHBondContact O-N 2.99Å; V149-H151 PolarHBondContact O-N 3.13Å
150	M	88.6	Confident	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.4	174.9	-65.5	-57.3	-67.7	0	0	113.4	R6 I48 C51 I52 G146 V147 N148 G152	R6-M150 PolarHBondContact NH1-O 2.87Å; I48-M150 HydrophobicContact CB-CG 4.23Å; I48-M150 HydrophobicContact CG1-CG 4.1Å; I48-M150 HydrophobicContact CG2-CG 3.99Å; I48-M150 HydrophobicContact CG2-SD 4Å; C51-M150 HydrophobicContact CB-CB 3.67Å; C51-M150 HydrophobicContact CB-CG 3.93Å; I52-M150 HydrophobicContact CG1-CE 4.13Å; G146-M150 PolarHBondContact O-N 2.92Å; V147-M150 CarbonylContact O-C 3.54Å; V147-M150 PolarHBondContact O-N 2.97Å; V147-M150 VanDerWaalsContact O-N 3.13Å; N148-M150 PolarHBondContact O-N 3.44Å; M150-G152 PolarHBondContact O-N 2.94Å
151	H	88.7	Confident	94.4	Very high	82 Å²	82	36.6 Å²	36.6	38%	0.38	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	31.1	-171.3	-67.6	-98.4	0	0	0	113	M1 L123 V147 N148 V149	M1-H151 PolarHBondContact SD-NE2 3.38Å; L123-H151 WeakPolarHBondContact CD1-O 3.41Å; V147-H151 PolarHBondContact O-N 2.74Å; N148-H151 WeakPolarHBondContact O-CA 3.23Å; N148-H151 PolarHBondContact O-N 3.41Å; V149-H151 PolarHBondContact O-N 3.13Å
152	G	92.2	Very high	94.4	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	17%	0.168	C	C	.	.			trans	-78	161.7	174.7	0	0	0	0	0	113	P124 V147 M150	P124-G152 CarbonylContact O-C 3.49Å; P124-G152 VanDerWaalsContact O-CA 3.27Å; P124-G152 WeakPolarHBondContact O-CA 3.46Å; V147-G152 PolarHBondContact O-N 2.87Å; M150-G152 PolarHBondContact O-N 2.94Å
153	I	93.2	Very high	94.6	Very high	51 Å²	51	31.1 Å²	31.1	26%	0.262	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.6	166.7	-62.2	174	0	0	0	108.6	L123 P124 V126 H155	L123-I153 HydrophobicContact CD1-CG1 4.16Å; L123-I153 HydrophobicContact CD2-CD1 3.25Å; L123-I153 HydrophobicContact CD2-CG1 3.71Å; L123-I153 HydrophobicContact CG-CD1 3.86Å; L123-I153 HydrophobicContact CG-CG1 3.88Å; P124-I153 PolarHBondContact O-N 3.22Å; V126-I153 PolarHBondContact N-O 3.23Å; I153-H155 VanDerWaalsContact CG2-NE2 3.3Å; I153-H155 WeakPolarHBondContact CG2-NE2 3.44Å
154	C	95.1	Very high	94.6	Very high	28 Å²	28	31.1 Å²	31.1	19%	0.189	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111	172.2	-166.2	0	0	0	0	110.4	V126 V147 E156	V126-C154 CarbonylContact O-C 3.53Å; V126-C154 WeakPolarHBondContact O-CA 3.45Å; V147-C154 HydrophobicContact CB-CB 4.42Å; V147-C154 HydrophobicContact CG1-CB 3.9Å; C154-E156 PolarHBondContact O-N 3.19Å
155	H	93.7	Very high	94.7	Very high	26 Å²	26	27.7 Å²	27.7	12%	0.12	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	93.6	172.2	-56.2	-87.2	0	0	0	108.6	H125 V126 V127 L128 I153 L157 L183	H125-H155 AromaticContact CG-NE2 3.99Å; H125-H155 AromaticContact ND1-CE1 3.94Å; H125-H155 AromaticContact ND1-NE2 3.11Å; H125-H155 PolarHBondContact ND1-NE2 3.32Å; H125-H155 VanDerWaalsContact ND1-NE2 3.11Å; V126-H155 PolarHBondContact O-CD2 2.88Å; V126-H155 PolarHBondContact O-N 3.45Å; V127-H155 WeakPolarHBondContact CA-O 3.32Å; V127-H155 HydrophobicContact CG2-CB 4.27Å; L128-H155 PolarHBondContact N-O 3.42Å; I153-H155 VanDerWaalsContact CG2-NE2 3.3Å; I153-H155 WeakPolarHBondContact CG2-NE2 3.44Å; H155-L157 PolarHBondContact O-N 3.45Å; H155-L183 HydrophobicContact CB-CD2 4.13Å; H155-L183 WeakPolarHBondContact ND1-CD2 3.48Å
156	E	94.2	Very high	94.9	Very high	85 Å²	85	25.5 Å²	25.5	40%	0.397	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	111.9	-176.3	-170.4	173.2	-179.5	0	0	110.6	K144 C154	K144-E156 IonicContact NZ-OE2 2.66Å; K144-E156 PolarHBondContact NZ-OE2 2.79Å; C154-E156 PolarHBondContact O-N 3.19Å
157	L	95	Very high	95.1	Very high	40 Å²	40	26.9 Å²	26.9	21%	0.209	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-24.6	176	-57.6	-178.3	0	0	0	112.2	V127 L128 H155 V160 F168 L186	V127-L157 HydrophobicContact CG1-CD1 3.59Å; V127-L157 HydrophobicContact CG1-CG 3.87Å; L128-L157 PolarHBondContact O-N 2.95Å; H155-L157 PolarHBondContact O-N 3.45Å; L157-V160 HydrophobicContact CB-CG1 3.8Å; L157-V160 HydrophobicContact CB-CG2 4.33Å; L157-V160 HydrophobicContact CD1-CG1 4.44Å; L157-F168 HydrophobicContact CD1-CB 4.12Å; L157-F168 HydrophobicContact CD1-CD1 4.05Å; L157-F168 HydrophobicContact CD1-CG 4Å; L157-F168 HydrophobicContact CD2-CD1 4.15Å; L157-F168 HydrophobicContact CD2-CD2 4.21Å; L157-F168 HydrophobicContact CD2-CE1 3.95Å; L157-F168 HydrophobicContact CD2-CE2 4.06Å; L157-F168 HydrophobicContact CD2-CG 4.27Å; L157-F168 HydrophobicContact CD2-CZ 3.92Å; L157-L186 HydrophobicContact CD1-CD2 4.39Å
158	G	95.7	Very high	95.1	Very high	14 Å²	14	27 Å²	27	14%	0.144	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-131	-175.6	0	0	0	0	0	112.2	G129 F130 V160	G129-G158 WeakPolarHBondContact CA-O 3.43Å; F130-G158 PolarHBondContact N-O 2.86Å; G158-V160 PolarHBondContact O-N 2.82Å
159	L	97.7	Very high	95.3	Very high	80 Å²	80	22.8 Å²	22.8	42%	0.419	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	107.1	-179.6	-70.1	171.7	0	0	0	111.3	F130 D131 T132 V222 K225	F130-L159 HydrophobicContact CD2-CD2 3.83Å; F130-L159 HydrophobicContact CD2-CG 4.46Å; F130-L159 HydrophobicContact CE2-CD2 3.71Å; F130-L159 HydrophobicContact CE2-CG 3.96Å; F130-L159 WeakPolarHBondContact O-CA 3.25Å; D131-L159 WeakPolarHBondContact O-CD2 3.31Å; T132-L159 HydrophobicContact CG2-CD2 4.09Å; L159-V222 HydrophobicContact CB-CG2 4.32Å; L159-K225 HydrophobicContact CD1-CD 4.18Å
160	V	98.4	Very high	95.6	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	13%	0.128	C	C	.	.			trans	-141.9	157.8	178.3	-67.2	0	0	0	0	110.5	M65 F130 L157 G158 Q164 L165 L186 V222	M65-V160 WeakPolarHBondContact CE-O 3.45Å; M65-V160 HydrophobicContact SD-CG2 4.27Å; F130-V160 PolarHBondContact O-N 3.37Å; L157-V160 HydrophobicContact CB-CG1 3.8Å; L157-V160 HydrophobicContact CB-CG2 4.33Å; L157-V160 HydrophobicContact CD1-CG1 4.44Å; G158-V160 PolarHBondContact O-N 2.82Å; V160-Q164 HydrophobicContact CB-CB 4.22Å; V160-L165 HydrophobicContact CG2-CB 4.23Å; V160-L186 HydrophobicContact CG1-CD2 3.49Å; V160-L186 VanDerWaalsContact CG1-CD2 3.49Å; V160-V222 WeakPolarHBondContact O-CG1 3.4Å
161	T	98.7	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.			trans	-71.7	157	167.1	57.1	0	0	0	0	110.2	Q164 L165 V222 V226 D296 A297 I457	T161-Q164 PolarHBondContact O-N 2.94Å; T161-Q164 VanDerWaalsContact OG1-CB 3.29Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.32Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.44Å; T161-Q164 PolarHBondContact OG1-N 3.48Å; T161-Q164 PolarHBondContact OG1-OE1 3.5Å; T161-L165 PolarHBondContact O-N 3.02Å; T161-V222 HydrophobicContact CG2-CG1 3.9Å; T161-V226 HydrophobicContact CG2-CB 4.47Å; T161-V226 HydrophobicContact CG2-CG2 3.83Å; T161-D296 VanDerWaalsContact CB-O 3.29Å; T161-D296 WeakPolarHBondContact CB-O 3.34Å; T161-A297 HydrophobicContact CG2-CB 3.69Å; T161-I457 HydrophobicContact CG2-CD1 4.1Å
162	T	98.5	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-53.4	-52.3	172.5	-69.7	0	0	0	0	111.8	M65 Q164 L165 H166 D296	M65-T162 HydrophobicContact CG-CG2 4.4Å; T162-Q164 VanDerWaalsContact C-N 3.33Å; T162-Q164 PolarHBondContact O-N 3.1Å; T162-L165 PolarHBondContact O-N 3.35Å; T162-H166 PolarHBondContact O-CD2 2.98Å; T162-H166 PolarHBondContact O-N 3.04Å; T162-H166 VanDerWaalsContact O-N 3.15Å; T162-D296 WeakPolarHBondContact CB-OD2 3.35Å; T162-D296 PolarHBondContact N-O 3.18Å; T162-D296 VanDerWaalsContact N-O 3.13Å; T162-D296 WeakPolarHBondContact OG1-CB 3.43Å; T162-D296 VanDerWaalsContact OG1-CG 3.28Å; T162-D296 PolarHBondContact OG1-OD2 2.77Å
163	P	98.5	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-32.7	178.7	23.1	-37	0	0	0	114.7	L165 H166 Y167 I453 D455	P163-L165 VanDerWaalsContact C-N 3.34Å; P163-L165 PolarHBondContact O-N 2.89Å; P163-H166 PolarHBondContact O-N 2.93Å; P163-Y167 WeakPolarHBondContact O-CB 3.42Å; P163-Y167 PolarHBondContact O-N 3.34Å; P163-I453 HydrophobicContact CB-CG2 3.98Å; P163-D455 HydrophobicContact CB-CB 3.46Å; P163-D455 VanDerWaalsContact CB-CB 3.46Å; P163-D455 VanDerWaalsContact CB-CG 3.43Å; P163-D455 WeakPolarHBondContact CB-OD2 3.3Å; P163-D455 HydrophobicContact CG-CB 4.05Å
164	Q	98.1	Very high	96	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-41.5	174.1	-85.5	-179.3	-49.3	0	0	112.5	V160 T161 T162 F168 Y190	V160-Q164 HydrophobicContact CB-CB 4.22Å; T161-Q164 PolarHBondContact O-N 2.94Å; T161-Q164 VanDerWaalsContact OG1-CB 3.29Å; T161-Q164 WeakPolarHBondContact OG1-CB 3.32Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.44Å; T161-Q164 PolarHBondContact OG1-N 3.48Å; T161-Q164 PolarHBondContact OG1-OE1 3.5Å; T162-Q164 VanDerWaalsContact C-N 3.33Å; T162-Q164 PolarHBondContact O-N 3.1Å; Q164-F168 WeakPolarHBondContact O-CB 3.18Å; Q164-F168 PolarHBondContact O-N 3.09Å; Q164-Y190 HydrophobicContact CG-CD1 3.64Å; Q164-Y190 HydrophobicContact CG-CD2 3.9Å; Q164-Y190 HydrophobicContact CG-CE1 3.48Å; Q164-Y190 VanDerWaalsContact CG-CE1 3.48Å; Q164-Y190 HydrophobicContact CG-CE2 3.77Å; Q164-Y190 HydrophobicContact CG-CG 3.83Å
165	L	98.2	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-45.8	176.5	-179	144.7	0	0	0	111.1	I64 M65 V81 V127 V160 T161 T162 P163 Y167 F168 V169	I64-L165 VanDerWaalsContact O-CD1 3.22Å; I64-L165 WeakPolarHBondContact O-CD1 3.41Å; M65-L165 HydrophobicContact CB-CD1 4.11Å; M65-L165 HydrophobicContact CB-CD2 4.19Å; M65-L165 HydrophobicContact SD-CB 4.12Å; M65-L165 HydrophobicContact SD-CD1 3.89Å; V81-L165 HydrophobicContact CB-CD2 4.19Å; V81-L165 HydrophobicContact CG2-CD2 3.54Å; V127-L165 HydrophobicContact CG1-CD1 4.46Å; V127-L165 HydrophobicContact CG1-CG 4.37Å; V160-L165 HydrophobicContact CG2-CB 4.23Å; T161-L165 PolarHBondContact O-N 3.02Å; T162-L165 PolarHBondContact O-N 3.35Å; P163-L165 VanDerWaalsContact C-N 3.34Å; P163-L165 PolarHBondContact O-N 2.89Å; L165-Y167 VanDerWaalsContact C-N 3.34Å; L165-Y167 PolarHBondContact O-N 2.92Å; L165-F168 PolarHBondContact O-N 2.9Å; L165-V169 HydrophobicContact CD2-CG2 4.07Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.41Å; L165-V169 PolarHBondContact O-N 2.81Å
166	H	98.1	Very high	94.6	Very high	3 Å²	3	31 Å²	31	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-45.8	177.9	-82.2	-110.6	0	0	0	111.8	V81 G85 T162 P163 V169 Q170 I453	V81-H166 HydrophobicContact CG1-CB 4.49Å; V81-H166 VanDerWaalsContact CG2-NE2 3.27Å; V81-H166 WeakPolarHBondContact CG2-NE2 3.39Å; G85-H166 WeakPolarHBondContact CA-O 3.45Å; G85-H166 WeakPolarHBondContact O-CB 3.17Å; G85-H166 PolarHBondContact O-ND1 3Å; T162-H166 PolarHBondContact O-CD2 2.98Å; T162-H166 PolarHBondContact O-N 3.04Å; T162-H166 VanDerWaalsContact O-N 3.15Å; P163-H166 PolarHBondContact O-N 2.93Å; H166-V169 PolarHBondContact O-N 3.49Å; H166-Q170 PolarHBondContact O-N 3.16Å; H166-I453 HydrophobicContact CB-CG2 3.76Å; H166-I453 VanDerWaalsContact CE1-CD1 3.48Å; H166-I453 WeakPolarHBondContact CE1-CD1 3.49Å
167	Y	97.5	Very high	93.2	Very high	29 Å²	29	32.9 Å²	32.9	11%	0.114	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-45.1	175.6	-176.9	-95.1	0	0	0	112.2	P163 L165 V169 Q170 Y171 I189 Y190 F194	P163-Y167 WeakPolarHBondContact O-CB 3.42Å; P163-Y167 PolarHBondContact O-N 3.34Å; L165-Y167 VanDerWaalsContact C-N 3.34Å; L165-Y167 PolarHBondContact O-N 2.92Å; Y167-V169 PolarHBondContact O-N 3.03Å; Y167-Q170 WeakPolarHBondContact O-CB 3.26Å; Y167-Q170 PolarHBondContact O-N 2.86Å; Y167-Y171 WeakPolarHBondContact O-CB 3.48Å; Y167-Y171 PolarHBondContact O-N 3.35Å; Y167-I189 HydrophobicContact CE1-CB 4.49Å; Y167-I189 HydrophobicContact CE1-CG1 4.34Å; Y167-I189 WeakPolarHBondContact CE1-O 3.09Å; Y167-I189 PolarHBondContact OH-O 2.99Å; Y167-Y190 AromaticContact CD1-CD2 3.81Å; Y167-Y190 HydrophobicContact CD1-CD2 3.81Å; Y167-Y190 HydrophobicContact CE1-CD2 4.32Å; Y167-Y190 HydrophobicContact CG-CD2 4.06Å; Y167-F194 HydrophobicContact CD2-CE2 4.44Å; Y167-F194 HydrophobicContact CD2-CZ 4.49Å; Y167-F194 HydrophobicContact CE2-CE2 4.05Å; Y167-F194 AromaticContact CE2-CZ 3.95Å; Y167-F194 HydrophobicContact CE2-CZ 3.95Å
168	F	95.9	Very high	91.7	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-44.6	177.6	-172.8	-89.1	0	0	0	111.6	V127 L157 Q164 L165 Q170 Y171 I172 L186 I189	V127-F168 HydrophobicContact CG1-CD1 3.75Å; V127-F168 HydrophobicContact CG1-CE1 4.16Å; V127-F168 HydrophobicContact CG2-CD1 4.05Å; V127-F168 HydrophobicContact CG2-CE1 4.11Å; L157-F168 HydrophobicContact CD1-CB 4.12Å; L157-F168 HydrophobicContact CD1-CD1 4.05Å; L157-F168 HydrophobicContact CD1-CG 4Å; L157-F168 HydrophobicContact CD2-CD1 4.15Å; L157-F168 HydrophobicContact CD2-CD2 4.21Å; L157-F168 HydrophobicContact CD2-CE1 3.95Å; L157-F168 HydrophobicContact CD2-CE2 4.06Å; L157-F168 HydrophobicContact CD2-CG 4.27Å; L157-F168 HydrophobicContact CD2-CZ 3.92Å; Q164-F168 WeakPolarHBondContact O-CB 3.18Å; Q164-F168 PolarHBondContact O-N 3.09Å; L165-F168 PolarHBondContact O-N 2.9Å; F168-Q170 PolarHBondContact O-N 3.32Å; F168-Y171 PolarHBondContact O-N 2.79Å; F168-I172 HydrophobicContact CD1-CD1 4.06Å; F168-I172 HydrophobicContact CD1-CG2 3.87Å; F168-I172 HydrophobicContact CE1-CD1 3.85Å; F168-I172 HydrophobicContact CE1-CG2 3.47Å; F168-I172 VanDerWaalsContact CE1-CG2 3.47Å; F168-I172 HydrophobicContact CE2-CG2 4.13Å; F168-I172 HydrophobicContact CG-CG2 4.38Å; F168-I172 HydrophobicContact CZ-CG2 3.61Å; F168-I172 WeakPolarHBondContact O-CG1 3.43Å; F168-I172 WeakPolarHBondContact O-CG2 3.5Å; F168-I172 PolarHBondContact O-N 2.87Å; F168-L186 HydrophobicContact CB-CD1 4.24Å; F168-L186 HydrophobicContact CD2-CB 4.37Å; F168-L186 HydrophobicContact CD2-CD1 3.9Å; F168-I189 HydrophobicContact CD2-CD1 3.49Å; F168-I189 VanDerWaalsContact CD2-CD1 3.49Å; F168-I189 HydrophobicContact CE2-CD1 3.97Å; F168-I189 HydrophobicContact CG-CD1 4.45Å
169	V	96.1	Very high	89.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-45.3	176.6	171	0	0	0	0	111	V81 D82 V127 L165 H166 Y167 I172 N173	V81-V169 HydrophobicContact CG1-CB 4.26Å; V81-V169 HydrophobicContact CG1-CG1 4.12Å; V81-V169 HydrophobicContact CG1-CG2 4.45Å; D82-V169 WeakPolarHBondContact O-CG1 3.47Å; V127-V169 HydrophobicContact CB-CG2 3.83Å; V127-V169 HydrophobicContact CG1-CG2 4.15Å; V127-V169 HydrophobicContact CG2-CG2 3.96Å; L165-V169 HydrophobicContact CD2-CG2 4.07Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.41Å; L165-V169 PolarHBondContact O-N 2.81Å; H166-V169 PolarHBondContact O-N 3.49Å; Y167-V169 PolarHBondContact O-N 3.03Å; V169-I172 WeakPolarHBondContact O-CG1 3.28Å; V169-N173 WeakPolarHBondContact O-CB 3.34Å; V169-N173 PolarHBondContact O-N 2.89Å; V169-N173 PolarHBondContact O-ND2 3.08Å
170	Q	95.7	Very high	87.6	Confident	61 Å²	61	36.7 Å²	36.7	29%	0.285	22%	0.22	S	C	.	.	H	α-helix	trans	-60	-47	175.4	-171.5	178.2	18.5	0	0	111.4	H84 H166 Y167 F168 N173 S174	H84-Q170 WeakPolarHBondContact O-CG 2.97Å; H166-Q170 PolarHBondContact O-N 3.16Å; Y167-Q170 WeakPolarHBondContact O-CB 3.26Å; Y167-Q170 PolarHBondContact O-N 2.86Å; F168-Q170 PolarHBondContact O-N 3.32Å; Q170-N173 PolarHBondContact O-N 2.79Å; Q170-S174 PolarHBondContact O-N 3.19Å
171	Y	93.8	Very high	85.3	Confident	76 Å²	76	43.7 Å²	43.7	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-51.2	-176.4	-176.5	-82.9	0	0	0	112.4	Y167 F168 N173 S174 I175 V184 I189	Y167-Y171 WeakPolarHBondContact O-CB 3.48Å; Y167-Y171 PolarHBondContact O-N 3.35Å; F168-Y171 PolarHBondContact O-N 2.79Å; Y171-N173 PolarHBondContact O-N 2.89Å; Y171-S174 PolarHBondContact O-N 2.89Å; Y171-S174 PolarHBondContact O-OG 3.3Å; Y171-I175 HydrophobicContact CD1-CG2 4.43Å; Y171-I175 HydrophobicContact CE1-CD1 4.38Å; Y171-I175 HydrophobicContact CE1-CG2 3.92Å; Y171-I175 PolarHBondContact O-N 2.59Å; Y171-V184 HydrophobicContact CE1-CB 4.4Å; Y171-V184 HydrophobicContact CE1-CG1 3.85Å; Y171-V184 HydrophobicContact CE1-CG2 4.27Å; Y171-I189 HydrophobicContact CD1-CD1 4.07Å; Y171-I189 HydrophobicContact CD1-CG2 4.47Å; Y171-I189 HydrophobicContact CD2-CB 4.49Å; Y171-I189 HydrophobicContact CE1-CG2 3.99Å; Y171-I189 HydrophobicContact CE2-CB 4.33Å; Y171-I189 HydrophobicContact CE2-CG2 4.13Å; Y171-I189 HydrophobicContact CG-CD1 4.14Å
172	I	91.8	Very high	83.3	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-26.9	-177	66.4	177.9	0	0	0	112.5	A61 V127 F168 V169 I175 L178	A61-I172 HydrophobicContact CB-CD1 3.36Å; A61-I172 HydrophobicContact CB-CG1 3.98Å; V127-I172 HydrophobicContact CG2-CD1 3.32Å; F168-I172 HydrophobicContact CD1-CD1 4.06Å; F168-I172 HydrophobicContact CD1-CG2 3.87Å; F168-I172 HydrophobicContact CE1-CD1 3.85Å; F168-I172 HydrophobicContact CE1-CG2 3.47Å; F168-I172 VanDerWaalsContact CE1-CG2 3.47Å; F168-I172 HydrophobicContact CE2-CG2 4.13Å; F168-I172 HydrophobicContact CG-CG2 4.38Å; F168-I172 HydrophobicContact CZ-CG2 3.61Å; F168-I172 WeakPolarHBondContact O-CG1 3.43Å; F168-I172 WeakPolarHBondContact O-CG2 3.5Å; F168-I172 PolarHBondContact O-N 2.87Å; V169-I172 WeakPolarHBondContact O-CG1 3.28Å; I172-I175 VanDerWaalsContact O-CG1 3.22Å; I172-I175 WeakPolarHBondContact O-CG1 3.4Å; I172-L178 HydrophobicContact CB-CD2 3.75Å; I172-L178 HydrophobicContact CD1-CD2 3.98Å; I172-L178 HydrophobicContact CG1-CD2 3.98Å
173	N	93.9	Very high	81.6	Confident	27 Å²	27	56.6 Å²	56.6	14%	0.144	32%	0.321	C	S	.	.	H	α-helix	trans	-80.7	-23.7	175.3	-77	-60.3	0	0	0	112.6	R60 A61 P83 V169 Q170 Y171	R60-N173 WeakPolarHBondContact CA-OD1 3.3Å; R60-N173 VanDerWaalsContact CB-OD1 3.31Å; R60-N173 WeakPolarHBondContact CB-OD1 3.32Å; A61-N173 PolarHBondContact N-OD1 3.35Å; A61-N173 PolarHBondContact O-ND2 3.26Å; P83-N173 VanDerWaalsContact CA-ND2 3.32Å; P83-N173 WeakPolarHBondContact CA-ND2 3.22Å; P83-N173 HydrophobicContact CB-CB 4.33Å; P83-N173 VanDerWaalsContact O-CB 3.25Å; P83-N173 WeakPolarHBondContact O-CB 3.25Å; P83-N173 PolarHBondContact O-ND2 3.31Å; P83-N173 VanDerWaalsContact O-ND2 3.11Å; V169-N173 WeakPolarHBondContact O-CB 3.34Å; V169-N173 PolarHBondContact O-N 2.89Å; V169-N173 PolarHBondContact O-ND2 3.08Å; Q170-N173 PolarHBondContact O-N 2.79Å; Y171-N173 PolarHBondContact O-N 2.89Å
174	S	91.6	Very high	80.5	Confident	89 Å²	89	58.8 Å²	58.8	62%	0.622	33%	0.334	S	S	*	.	H	α-helix	trans	-77.6	-31.9	177	75.1	0	0	0	0	112.7	Q170 Y171 G176	Q170-S174 PolarHBondContact O-N 3.19Å; Y171-S174 PolarHBondContact O-N 2.89Å; Y171-S174 PolarHBondContact O-OG 3.3Å; S174-G176 VanDerWaalsContact C-N 3.28Å; S174-G176 PolarHBondContact O-N 2.96Å
175	I	87.6	Confident	80	Confident	74 Å²	74	62.6 Å²	62.6	38%	0.379	35%	0.354	S	S	.	.	S	Bend	trans	-74.9	-13.5	176.8	63.1	172.4	0	0	0	113.8	Y171 I172 N177 V184	Y171-I175 HydrophobicContact CD1-CG2 4.43Å; Y171-I175 HydrophobicContact CE1-CD1 4.38Å; Y171-I175 HydrophobicContact CE1-CG2 3.92Å; Y171-I175 PolarHBondContact O-N 2.59Å; I172-I175 VanDerWaalsContact O-CG1 3.22Å; I172-I175 WeakPolarHBondContact O-CG1 3.4Å; I175-N177 PolarHBondContact O-N 2.9Å; I175-V184 HydrophobicContact CD1-CG2 4.07Å
176	G	72	Confident	79.6	Confident	59 Å²	59	63.5 Å²	63.5	61%	0.608	36%	0.359	S	S	*	.			trans	70.1	-18.8	171.8	0	0	0	0	0	117.4	S174	S174-G176 VanDerWaalsContact C-N 3.28Å; S174-G176 PolarHBondContact O-N 2.96Å
177	N	64.4	Low	79.4	Confident	124 Å²	124	64.9 Å²	64.9	66%	0.663	37%	0.366	S	S	*	.			trans	-108.2	74.6	-176.1	-78.5	-21.9	0	0	0	112.7	I175 C179	I175-N177 PolarHBondContact O-N 2.9Å; N177-C179 PolarHBondContact O-N 2.96Å
178	L	62.8	Low	79.2	Confident	28 Å²	28	67 Å²	67	15%	0.147	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.1	173.1	-66.9	169.1	0	0	0	113.6	A61 H125 I172 S180	A61-L178 HydrophobicContact CB-CD1 4.04Å; H125-L178 HydrophobicContact CB-CD1 4.25Å; I172-L178 HydrophobicContact CB-CD2 3.75Å; I172-L178 HydrophobicContact CD1-CD2 3.98Å; I172-L178 HydrophobicContact CG1-CD2 3.98Å; L178-S180 PolarHBondContact O-N 3.06Å
179	C	54.8	Low	79.1	Confident	123 Å²	123	67.4 Å²	67.4	83%	0.831	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.1	-177.5	-59.3	0	0	0	0	114	N177	N177-C179 PolarHBondContact O-N 2.96Å
180	S	54	Low	79.2	Confident	64 Å²	64	67.4 Å²	67.4	45%	0.448	38%	0.384	S	S	.	.			trans	-82.3	118.1	172.9	129	0	0	0	0	108.6	L178 Q182	L178-S180 PolarHBondContact O-N 3.06Å; S180-Q182 PolarHBondContact O-N 2.61Å; S180-Q182 PolarHBondContact OG-N 3.15Å
181	N	50.4	Low	79.3	Confident	150 Å²	150	64.5 Å²	64.5	80%	0.802	37%	0.37	S	S	*	.			trans	-65.1	0.2	171.9	-76.7	-11.4	0	0	0	113.5	L183	N181-L183 PolarHBondContact O-N 3.18Å
182	Q	56.4	Low	79.5	Confident	162 Å²	162	64.2 Å²	64.2	76%	0.757	37%	0.371	S	S	*	.			trans	-75.1	95.4	170.1	-69.5	-171.5	-31	0	0	108.2	S180 V184	S180-Q182 PolarHBondContact O-N 2.61Å; S180-Q182 PolarHBondContact OG-N 3.15Å; Q182-V184 PolarHBondContact O-N 3.12Å
183	L	61.5	Low	79.7	Confident	110 Å²	110	67.8 Å²	67.8	58%	0.576	39%	0.388	S	S	*	.			trans	-52.4	121.9	165.9	-77.1	165.1	0	0	0	108	H155 N181 D185	H155-L183 HydrophobicContact CB-CD2 4.13Å; H155-L183 WeakPolarHBondContact ND1-CD2 3.48Å; N181-L183 PolarHBondContact O-N 3.18Å; L183-D185 PolarHBondContact O-N 3.24Å
184	V	75.1	Confident	80	Confident	46 Å²	46	66.6 Å²	66.6	28%	0.279	38%	0.381	S	S	.	.			trans	-64.9	133.5	172.4	-168.5	0	0	0	0	107.7	Y171 I175 Q182 L186 I189	Y171-V184 HydrophobicContact CE1-CB 4.4Å; Y171-V184 HydrophobicContact CE1-CG1 3.85Å; Y171-V184 HydrophobicContact CE1-CG2 4.27Å; I175-V184 HydrophobicContact CD1-CG2 4.07Å; Q182-V184 PolarHBondContact O-N 3.12Å; V184-L186 PolarHBondContact O-N 3.05Å; V184-I189 HydrophobicContact CG1-CG2 3.37Å
185	D	87.6	Confident	80.3	Confident	81 Å²	81	62.3 Å²	62.3	43%	0.433	35%	0.352	S	S	.	.			trans	-70.1	113.2	-178.1	171	31.4	0	0	0	111	L183 E187 T188 I189	L183-D185 PolarHBondContact O-N 3.24Å; D185-E187 PolarHBondContact O-N 3Å; D185-E187 VanDerWaalsContact OD1-CB 3.31Å; D185-E187 WeakPolarHBondContact OD1-CB 3.26Å; D185-E187 PolarHBondContact OD1-N 3Å; D185-E187 WeakPolarHBondContact OD2-CB 3.42Å; D185-T188 PolarHBondContact O-N 3.21Å; D185-T188 VanDerWaalsContact O-N 3.14Å; D185-T188 WeakPolarHBondContact OD2-CB 3.4Å; D185-T188 PolarHBondContact OD2-N 3.19Å; D185-T188 PolarHBondContact OD2-OG1 3.33Å; D185-I189 PolarHBondContact O-N 3.31Å; D185-I189 VanDerWaalsContact O-N 3.13Å
186	L	91.4	Very high	80.7	Confident	19 Å²	19	64.1 Å²	64.1	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-31.6	178.1	-180	60	0	0	0	111.9	L157 V160 F168 V184 I189 Y190	L157-L186 HydrophobicContact CD1-CD2 4.39Å; V160-L186 HydrophobicContact CG1-CD2 3.49Å; V160-L186 VanDerWaalsContact CG1-CD2 3.49Å; F168-L186 HydrophobicContact CB-CD1 4.24Å; F168-L186 HydrophobicContact CD2-CB 4.37Å; F168-L186 HydrophobicContact CD2-CD1 3.9Å; V184-L186 PolarHBondContact O-N 3.05Å; L186-I189 HydrophobicContact CD1-CD1 4.12Å; L186-I189 HydrophobicContact CD1-CG1 4.12Å; L186-Y190 WeakPolarHBondContact O-CB 3.42Å; L186-Y190 PolarHBondContact O-N 3.33Å; L186-Y190 VanDerWaalsContact O-N 3.16Å
187	E	94.1	Very high	81.9	Confident	32 Å²	32	62.5 Å²	62.5	15%	0.15	33%	0.334	C	S	.	.	I	π-helix	trans	-60.6	-50.5	176.5	-175.5	71.2	126.9	0	0	111.1	D185 V191 H192 R229	D185-E187 PolarHBondContact O-N 3Å; D185-E187 VanDerWaalsContact OD1-CB 3.31Å; D185-E187 WeakPolarHBondContact OD1-CB 3.26Å; D185-E187 PolarHBondContact OD1-N 3Å; D185-E187 WeakPolarHBondContact OD2-CB 3.42Å; E187-V191 WeakPolarHBondContact O-CA 3.38Å; E187-V191 PolarHBondContact O-N 3.25Å; E187-V191 WeakPolarHBondContact OE2-CB 3.36Å; E187-V191 WeakPolarHBondContact OE2-CG2 3.3Å; E187-H192 PolarHBondContact O-N 3.33Å; E187-R229 VanDerWaalsContact CB-NH2 3.28Å; E187-R229 IonicContact OE1-CZ 3.95Å; E187-R229 VanDerWaalsContact OE1-CZ 3.27Å; E187-R229 IonicContact OE1-NE 3.4Å; E187-R229 PolarHBondContact OE1-NE 3.04Å; E187-R229 IonicContact OE1-NH2 3.1Å; E187-R229 PolarHBondContact OE1-NH2 2.85Å; E187-R229 IonicContact OE2-CZ 3.72Å; E187-R229 IonicContact OE2-NE 3.39Å; E187-R229 PolarHBondContact OE2-NE 2.81Å; E187-R229 IonicContact OE2-NH1 3.29Å; E187-R229 IonicContact OE2-NH2 3.94Å; E187-R229 PolarHBondContact OE2-NH2 3.23Å
188	T	93.1	Very high	83.5	Confident	73 Å²	73	56.6 Å²	56.6	45%	0.448	30%	0.302	S	S	.	.	I	π-helix	trans	-66	-45.5	-176.7	-64.2	0	0	0	0	111.6	D185 Y190 H193	D185-T188 PolarHBondContact O-N 3.21Å; D185-T188 VanDerWaalsContact O-N 3.14Å; D185-T188 WeakPolarHBondContact OD2-CB 3.4Å; D185-T188 PolarHBondContact OD2-N 3.19Å; D185-T188 PolarHBondContact OD2-OG1 3.33Å; T188-Y190 VanDerWaalsContact C-N 3.33Å; T188-Y190 PolarHBondContact O-N 3.13Å; T188-H193 PolarHBondContact O-N 3.03Å
189	I	93.4	Very high	85.1	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.056	30%	0.299	C	S	.	.	I	π-helix	trans	-76	-20.8	-173.9	69	177.4	0	0	0	114.1	Y167 F168 Y171 V184 D185 L186 H193	Y167-I189 HydrophobicContact CE1-CB 4.49Å; Y167-I189 HydrophobicContact CE1-CG1 4.34Å; Y167-I189 WeakPolarHBondContact CE1-O 3.09Å; Y167-I189 PolarHBondContact OH-O 2.99Å; F168-I189 HydrophobicContact CD2-CD1 3.49Å; F168-I189 VanDerWaalsContact CD2-CD1 3.49Å; F168-I189 HydrophobicContact CE2-CD1 3.97Å; F168-I189 HydrophobicContact CG-CD1 4.45Å; Y171-I189 HydrophobicContact CD1-CD1 4.07Å; Y171-I189 HydrophobicContact CD1-CG2 4.47Å; Y171-I189 HydrophobicContact CD2-CB 4.49Å; Y171-I189 HydrophobicContact CE1-CG2 3.99Å; Y171-I189 HydrophobicContact CE2-CB 4.33Å; Y171-I189 HydrophobicContact CE2-CG2 4.13Å; Y171-I189 HydrophobicContact CG-CD1 4.14Å; V184-I189 HydrophobicContact CG1-CG2 3.37Å; D185-I189 PolarHBondContact O-N 3.31Å; D185-I189 VanDerWaalsContact O-N 3.13Å; L186-I189 HydrophobicContact CD1-CD1 4.12Å; L186-I189 HydrophobicContact CD1-CG1 4.12Å; I189-H193 VanDerWaalsContact O-CB 3.23Å; I189-H193 WeakPolarHBondContact O-CB 3.21Å
190	Y	97.7	Very high	87	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	I	π-helix	trans	-115.6	-68.6	-176.7	-174.4	-88.6	0	0	0	111.1	Q164 Y167 L186 T188 F194 V226 F230 D455 T458	Q164-Y190 HydrophobicContact CG-CD1 3.64Å; Q164-Y190 HydrophobicContact CG-CD2 3.9Å; Q164-Y190 HydrophobicContact CG-CE1 3.48Å; Q164-Y190 VanDerWaalsContact CG-CE1 3.48Å; Q164-Y190 HydrophobicContact CG-CE2 3.77Å; Q164-Y190 HydrophobicContact CG-CG 3.83Å; Y167-Y190 AromaticContact CD1-CD2 3.81Å; Y167-Y190 HydrophobicContact CD1-CD2 3.81Å; Y167-Y190 HydrophobicContact CE1-CD2 4.32Å; Y167-Y190 HydrophobicContact CG-CD2 4.06Å; L186-Y190 WeakPolarHBondContact O-CB 3.42Å; L186-Y190 PolarHBondContact O-N 3.33Å; L186-Y190 VanDerWaalsContact O-N 3.16Å; T188-Y190 VanDerWaalsContact C-N 3.33Å; T188-Y190 PolarHBondContact O-N 3.13Å; Y190-F194 HydrophobicContact CD2-CD2 4.03Å; Y190-F194 AromaticContact CD2-CE2 3.79Å; Y190-F194 HydrophobicContact CD2-CE2 3.79Å; Y190-F194 HydrophobicContact CE2-CD2 4.16Å; Y190-F194 AromaticContact CE2-CE2 3.9Å; Y190-F194 HydrophobicContact CE2-CE2 3.9Å; Y190-F194 HydrophobicContact CG-CD2 4.28Å; Y190-F194 HydrophobicContact CG-CE2 4.46Å; Y190-F194 WeakPolarHBondContact O-CD2 3.34Å; Y190-F194 PolarHBondContact O-N 2.91Å; Y190-V226 HydrophobicContact CE1-CG1 4.14Å; Y190-F230 HydrophobicContact CD1-CE2 4.14Å; Y190-F230 HydrophobicContact CD1-CZ 4.23Å; Y190-F230 AromaticContact CE1-CE2 3.81Å; Y190-F230 HydrophobicContact CE1-CE2 3.81Å; Y190-F230 HydrophobicContact CE1-CZ 4.01Å; Y190-D455 VanDerWaalsContact CE2-OD2 3.3Å; Y190-D455 WeakPolarHBondContact CE2-OD2 3.19Å; Y190-D455 PolarHBondContact OH-OD1 3.09Å; Y190-D455 PolarHBondContact OH-OD2 2.75Å; Y190-T458 HydrophobicContact CE2-CG2 4.3Å
191	V	98.1	Very high	88.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-65.8	-55.9	-172.9	178.3	0	0	0	0	110.8	E187 H193 A195 V226 R229 F230	E187-V191 WeakPolarHBondContact O-CA 3.38Å; E187-V191 PolarHBondContact O-N 3.25Å; E187-V191 WeakPolarHBondContact OE2-CB 3.36Å; E187-V191 WeakPolarHBondContact OE2-CG2 3.3Å; V191-H193 VanDerWaalsContact C-N 3.34Å; V191-H193 PolarHBondContact O-N 2.68Å; V191-A195 WeakPolarHBondContact O-CB 3.12Å; V191-A195 PolarHBondContact O-N 2.88Å; V191-V226 HydrophobicContact CG2-CG1 4.25Å; V191-R229 HydrophobicContact CG1-CB 3.97Å; V191-R229 HydrophobicContact CG2-CB 4.32Å; V191-F230 HydrophobicContact CB-CD2 4.48Å; V191-F230 HydrophobicContact CB-CE2 4.12Å; V191-F230 HydrophobicContact CB-CZ 4.35Å; V191-F230 HydrophobicContact CG1-CD1 4.39Å; V191-F230 HydrophobicContact CG1-CD2 3.9Å; V191-F230 HydrophobicContact CG1-CE1 4.49Å; V191-F230 HydrophobicContact CG1-CE2 4.01Å; V191-F230 HydrophobicContact CG1-CG 4.1Å; V191-F230 HydrophobicContact CG1-CZ 4.32Å; V191-F230 HydrophobicContact CG2-CD2 4.2Å; V191-F230 HydrophobicContact CG2-CE2 3.78Å; V191-F230 HydrophobicContact CG2-CZ 4.41Å
192	H	97.4	Very high	91	Very high	70 Å²	70	42.3 Å²	42.3	32%	0.324	22%	0.216	S	C	.	.	I	π-helix	trans	-62.9	-43.3	179.7	-64.5	167.2	0	0	0	111.2	E187 A195 E196 Y233	E187-H192 PolarHBondContact O-N 3.33Å; H192-A195 PolarHBondContact O-N 2.76Å; H192-E196 WeakPolarHBondContact O-CB 3.38Å; H192-E196 PolarHBondContact O-N 2.89Å; H192-Y233 HydrophobicContact CB-CE2 4.38Å; H192-Y233 AromaticContact CD2-CD2 3.55Å; H192-Y233 AromaticContact CD2-CE2 3.96Å
193	H	97.2	Very high	92.7	Very high	81 Å²	81	38 Å²	38	38%	0.375	20%	0.196	S	C	.	.	H	α-helix	trans	-54.2	-56.9	178.6	-179.8	69.9	0	0	0	112.7	T188 I189 V191 R197	T188-H193 PolarHBondContact O-N 3.03Å; I189-H193 VanDerWaalsContact O-CB 3.23Å; I189-H193 WeakPolarHBondContact O-CB 3.21Å; V191-H193 VanDerWaalsContact C-N 3.34Å; V191-H193 PolarHBondContact O-N 2.68Å; H193-R197 WeakPolarHBondContact O-CB 3.33Å; H193-R197 PolarHBondContact O-N 3.35Å; H193-R197 VanDerWaalsContact O-N 3.1Å
194	F	98.5	Very high	94.1	Very high	2 Å²	2	37 Å²	37	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-72.7	-37	-177.8	-73.6	-65.9	0	0	0	112.4	Y167 Y190 R197 F198 F230 N450 T458 L461	Y167-F194 HydrophobicContact CD2-CE2 4.44Å; Y167-F194 HydrophobicContact CD2-CZ 4.49Å; Y167-F194 HydrophobicContact CE2-CE2 4.05Å; Y167-F194 AromaticContact CE2-CZ 3.95Å; Y167-F194 HydrophobicContact CE2-CZ 3.95Å; Y190-F194 HydrophobicContact CD2-CD2 4.03Å; Y190-F194 AromaticContact CD2-CE2 3.79Å; Y190-F194 HydrophobicContact CD2-CE2 3.79Å; Y190-F194 HydrophobicContact CE2-CD2 4.16Å; Y190-F194 AromaticContact CE2-CE2 3.9Å; Y190-F194 HydrophobicContact CE2-CE2 3.9Å; Y190-F194 HydrophobicContact CG-CD2 4.28Å; Y190-F194 HydrophobicContact CG-CE2 4.46Å; Y190-F194 WeakPolarHBondContact O-CD2 3.34Å; Y190-F194 PolarHBondContact O-N 2.91Å; F194-R197 PolarHBondContact O-N 2.92Å; F194-F198 VanDerWaalsContact O-CB 3.3Å; F194-F198 WeakPolarHBondContact O-CB 3.41Å; F194-F198 PolarHBondContact O-N 2.92Å; F194-F230 HydrophobicContact CB-CE1 3.95Å; F194-F230 HydrophobicContact CB-CZ 4.09Å; F194-N450 HydrophobicContact CZ-CB 4.18Å; F194-T458 HydrophobicContact CD1-CG2 3.91Å; F194-T458 HydrophobicContact CD2-CG2 3.63Å; F194-T458 HydrophobicContact CE1-CG2 3.92Å; F194-T458 HydrophobicContact CE2-CG2 3.66Å; F194-T458 HydrophobicContact CG-CG2 3.79Å; F194-T458 HydrophobicContact CZ-CG2 3.81Å; F194-L461 HydrophobicContact CB-CD1 3.87Å
195	A	98.1	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-41	179.5	0	0	0	0	0	112.2	V191 H192 T199 F230 Y233 F234	V191-A195 WeakPolarHBondContact O-CB 3.12Å; V191-A195 PolarHBondContact O-N 2.88Å; H192-A195 PolarHBondContact O-N 2.76Å; A195-T199 VanDerWaalsContact O-CB 3.3Å; A195-T199 WeakPolarHBondContact O-CB 3.12Å; A195-T199 PolarHBondContact O-N 2.95Å; A195-T199 PolarHBondContact O-OG1 2.93Å; A195-F230 HydrophobicContact CB-CD1 3.71Å; A195-F230 HydrophobicContact CB-CE1 3.86Å; A195-Y233 HydrophobicContact CB-CD1 3.29Å; A195-Y233 HydrophobicContact CB-CD2 4.29Å; A195-Y233 HydrophobicContact CB-CE1 3.68Å; A195-Y233 HydrophobicContact CB-CG 3.65Å; A195-F234 HydrophobicContact CB-CD1 4.46Å; A195-F234 HydrophobicContact CB-CE1 3.78Å; A195-F234 HydrophobicContact CB-CZ 4.04Å
196	E	96.9	Very high	94.8	Very high	112 Å²	112	41 Å²	41	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-47.3	174.6	-174.2	175.2	-166	0	0	110.7	H192 F198 T199 T200 Y233	H192-E196 WeakPolarHBondContact O-CB 3.38Å; H192-E196 PolarHBondContact O-N 2.89Å; E196-F198 VanDerWaalsContact C-N 3.34Å; E196-F198 PolarHBondContact O-N 3.41Å; E196-T199 PolarHBondContact O-N 3.04Å; E196-T200 WeakPolarHBondContact O-CB 3.26Å; E196-T200 PolarHBondContact O-N 3.4Å; E196-T200 PolarHBondContact O-OG1 3.3Å; E196-Y233 VanDerWaalsContact CA-OH 3.28Å; E196-Y233 WeakPolarHBondContact CA-OH 3.48Å; E196-Y233 WeakPolarHBondContact CB-OH 3.4Å
197	R	97.2	Very high	94.7	Very high	24 Å²	24	42 Å²	42	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-46.8	178.5	-177.3	67	-148	134.4	0.2	111.3	H193 F194 A201 V438 T444 D447 L448	H193-R197 WeakPolarHBondContact O-CB 3.33Å; H193-R197 PolarHBondContact O-N 3.35Å; H193-R197 VanDerWaalsContact O-N 3.1Å; F194-R197 PolarHBondContact O-N 2.92Å; R197-A201 VanDerWaalsContact O-CB 3.3Å; R197-A201 WeakPolarHBondContact O-CB 3.34Å; R197-A201 PolarHBondContact O-N 3.34Å; R197-V438 PolarHBondContact NH2-O 3.14Å; R197-T444 PolarHBondContact NH2-OG1 3.13Å; R197-D447 HydrophobicContact CG-CB 3.8Å; R197-D447 IonicContact CZ-OD2 2.62Å; R197-D447 IonicContact NE-OD2 2.75Å; R197-D447 PolarHBondContact NE-OD2 3.2Å; R197-L448 HydrophobicContact CB-CD2 4.02Å; R197-L448 HydrophobicContact CG-CD2 3.75Å; R197-L448 HydrophobicContact CG-CG 4.09Å
198	F	97.4	Very high	94.3	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-45.3	177.9	178.8	-88	0	0	0	111.8	F194 E196 T200 A201 L202 I212 F234 L243 L448 L461 E464	F194-F198 VanDerWaalsContact O-CB 3.3Å; F194-F198 WeakPolarHBondContact O-CB 3.41Å; F194-F198 PolarHBondContact O-N 2.92Å; E196-F198 VanDerWaalsContact C-N 3.34Å; E196-F198 PolarHBondContact O-N 3.41Å; F198-T200 PolarHBondContact O-N 3.41Å; F198-A201 WeakPolarHBondContact O-CB 3.41Å; F198-A201 PolarHBondContact O-N 3.24Å; F198-L202 HydrophobicContact CE1-CB 4.42Å; F198-L202 HydrophobicContact CE1-CD2 4.02Å; F198-L202 HydrophobicContact CZ-CD2 4.48Å; F198-L202 WeakPolarHBondContact O-CB 3.42Å; F198-L202 PolarHBondContact O-N 3.48Å; F198-I212 HydrophobicContact CZ-CD1 4.36Å; F198-F234 AromaticContact CD1-CE1 3.87Å; F198-F234 HydrophobicContact CD1-CE1 3.87Å; F198-F234 HydrophobicContact CD1-CZ 4.03Å; F198-L243 HydrophobicContact CD1-CB 4.41Å; F198-L243 HydrophobicContact CE1-CB 3.57Å; F198-L243 HydrophobicContact CE1-CD2 4.03Å; F198-L243 HydrophobicContact CE1-CG 4.41Å; F198-L243 HydrophobicContact CZ-CB 4.1Å; F198-L243 HydrophobicContact CZ-CD2 4.08Å; F198-L448 HydrophobicContact CB-CD2 3.85Å; F198-L448 HydrophobicContact CD2-CD1 4.28Å; F198-L461 HydrophobicContact CB-CD1 4.32Å; F198-L461 HydrophobicContact CB-CD2 4.43Å; F198-L461 HydrophobicContact CD1-CD2 4.42Å; F198-L461 HydrophobicContact CD2-CB 3.76Å; F198-L461 HydrophobicContact CD2-CD2 4.04Å; F198-L461 HydrophobicContact CD2-CG 4.41Å; F198-L461 WeakPolarHBondContact CD2-O 3.27Å; F198-L461 HydrophobicContact CE2-CB 4.36Å; F198-L461 HydrophobicContact CE2-CD2 4.43Å; F198-L461 VanDerWaalsContact CE2-O 3.25Å; F198-L461 WeakPolarHBondContact CE2-O 3.35Å; F198-L461 HydrophobicContact CG-CB 4.35Å; F198-L461 HydrophobicContact CG-CD2 4.02Å; F198-E464 HydrophobicContact CE2-CB 4.21Å; F198-E464 HydrophobicContact CZ-CB 4.29Å
199	T	96.4	Very high	93.8	Very high	13 Å²	13	42 Å²	42	8%	0.08	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-47.5	-179.3	-57.2	0	0	0	0	110.9	A195 E196 A201 L202 E203 F234 V237	A195-T199 VanDerWaalsContact O-CB 3.3Å; A195-T199 WeakPolarHBondContact O-CB 3.12Å; A195-T199 PolarHBondContact O-N 2.95Å; A195-T199 PolarHBondContact O-OG1 2.93Å; E196-T199 PolarHBondContact O-N 3.04Å; T199-A201 VanDerWaalsContact C-N 3.3Å; T199-A201 PolarHBondContact O-N 3.42Å; T199-L202 PolarHBondContact O-N 3.49Å; T199-E203 WeakPolarHBondContact O-CG 3.3Å; T199-E203 PolarHBondContact O-N 2.97Å; T199-F234 WeakPolarHBondContact OG1-CD1 3.42Å; T199-F234 WeakPolarHBondContact OG1-CE1 3.29Å; T199-V237 HydrophobicContact CG2-CB 4.31Å; T199-V237 HydrophobicContact CG2-CG1 3.82Å; T199-V237 HydrophobicContact CG2-CG2 4.48Å
200	T	94.9	Very high	93.6	Very high	45 Å²	45	48.8 Å²	48.8	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-58.6	-44	175.5	-56.9	0	0	0	0	111	E196 F198 E203 N204	E196-T200 WeakPolarHBondContact O-CB 3.26Å; E196-T200 PolarHBondContact O-N 3.4Å; E196-T200 PolarHBondContact O-OG1 3.3Å; F198-T200 PolarHBondContact O-N 3.41Å; T200-E203 PolarHBondContact O-N 2.89Å; T200-N204 PolarHBondContact O-N 2.86Å; T200-N204 PolarHBondContact O-ND2 2.95Å
201	A	95.2	Very high	93.4	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-50.2	178	0	0	0	0	0	111.7	R197 F198 T199 E203 N204 L205 T444 Y465	R197-A201 VanDerWaalsContact O-CB 3.3Å; R197-A201 WeakPolarHBondContact O-CB 3.34Å; R197-A201 PolarHBondContact O-N 3.34Å; F198-A201 WeakPolarHBondContact O-CB 3.41Å; F198-A201 PolarHBondContact O-N 3.24Å; T199-A201 VanDerWaalsContact C-N 3.3Å; T199-A201 PolarHBondContact O-N 3.42Å; A201-E203 VanDerWaalsContact C-N 3.32Å; A201-E203 PolarHBondContact O-N 2.85Å; A201-N204 PolarHBondContact O-N 2.7Å; A201-N204 VanDerWaalsContact O-N 3.09Å; A201-L205 WeakPolarHBondContact O-CG 3.47Å; A201-L205 PolarHBondContact O-N 2.83Å; A201-T444 HydrophobicContact CB-CG2 3.43Å; A201-T444 VanDerWaalsContact CB-CG2 3.43Å; A201-Y465 HydrophobicContact CB-CD2 3.89Å; A201-Y465 HydrophobicContact CB-CE2 3.76Å
202	L	94.1	Very high	93.2	Very high	3 Å²	3	51 Å²	51	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-39.2	-179.1	-173.1	63.4	0	0	0	112.2	F198 T199 N204 L205 C208 I212 R241 A468	F198-L202 HydrophobicContact CE1-CB 4.42Å; F198-L202 HydrophobicContact CE1-CD2 4.02Å; F198-L202 HydrophobicContact CZ-CD2 4.48Å; F198-L202 WeakPolarHBondContact O-CB 3.42Å; F198-L202 PolarHBondContact O-N 3.48Å; T199-L202 PolarHBondContact O-N 3.49Å; L202-N204 PolarHBondContact O-N 3.01Å; L202-L205 HydrophobicContact CD1-CD1 4.24Å; L202-L205 PolarHBondContact O-N 3.39Å; L202-C208 HydrophobicContact CD1-CB 4.1Å; L202-I212 HydrophobicContact CD1-CD1 3.89Å; L202-I212 HydrophobicContact CD2-CD1 4.4Å; L202-R241 HydrophobicContact CD2-CB 4.38Å; L202-R241 HydrophobicContact CG-CB 4.48Å; L202-A468 HydrophobicContact CD1-CB 4.24Å
203	E	92	Very high	93.1	Very high	72 Å²	72	49.6 Å²	49.6	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-30	175.9	-74.1	-178.1	166.2	0	0	113.1	T199 T200 A201 R241	T199-E203 WeakPolarHBondContact O-CG 3.3Å; T199-E203 PolarHBondContact O-N 2.97Å; T200-E203 PolarHBondContact O-N 2.89Å; A201-E203 VanDerWaalsContact C-N 3.32Å; A201-E203 PolarHBondContact O-N 2.85Å; E203-R241 PolarHBondContact O-NH2 3.16Å
204	N	91	Very high	93.1	Very high	88 Å²	88	45.8 Å²	45.8	47%	0.471	25%	0.246	S	C	.	.	H	α-helix	trans	-88.9	-6.6	178.9	-72.3	-70.5	0	0	0	113.7	T200 A201 L202 N439	T200-N204 PolarHBondContact O-N 2.86Å; T200-N204 PolarHBondContact O-ND2 2.95Å; A201-N204 PolarHBondContact O-N 2.7Å; A201-N204 VanDerWaalsContact O-N 3.09Å; L202-N204 PolarHBondContact O-N 3.01Å; N204-N439 HydrophobicContact CB-CB 4.45Å; N204-N439 PolarHBondContact ND2-ND2 3.5Å
205	L	90.8	Very high	93	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	25%	0.246	C	C	.	.			trans	-80.4	121.8	177.2	-70	177.2	0	0	0	111.3	A201 L202 C208 R241 Y465 A468 W469	A201-L205 WeakPolarHBondContact O-CG 3.47Å; A201-L205 PolarHBondContact O-N 2.83Å; L202-L205 HydrophobicContact CD1-CD1 4.24Å; L202-L205 PolarHBondContact O-N 3.39Å; L205-C208 HydrophobicContact CB-CB 4.49Å; L205-R241 PolarHBondContact O-NH1 2.98Å; L205-Y465 HydrophobicContact CD1-CD2 3.85Å; L205-Y465 HydrophobicContact CD1-CE2 3.7Å; L205-Y465 HydrophobicContact CD2-CE2 3.91Å; L205-Y465 HydrophobicContact CG-CE2 4.04Å; L205-A468 HydrophobicContact CD1-CB 3.83Å; L205-W469 HydrophobicContact CD2-CB 4.16Å; L205-W469 HydrophobicContact CD2-CG 4.22Å
206	Q	87	Confident	93	Very high	197 Å²	197	45.7 Å²	45.7	92%	0.921	25%	0.246	S	C	*	.	S	Bend	trans	-78.9	-24.7	173.2	-66	179	-0.1	0	0	112.8	C208	Q206-C208 VanDerWaalsContact C-N 3.32Å; Q206-C208 PolarHBondContact O-N 3.32Å
207	S	87.5	Confident	93	Very high	40 Å²	40	40.4 Å²	40.4	28%	0.28	22%	0.221	S	C	.	.	S	Bend	trans	-72	-21.1	-175.9	52.5	0	0	0	0	114.2	A468 W469 N471	S207-A468 WeakPolarHBondContact CB-O 3.44Å; S207-A468 PolarHBondContact OG-O 2.87Å; S207-W469 PolarHBondContact OG-O 2.89Å; S207-N471 PolarHBondContact O-OD1 3.24Å
208	C	85.6	Confident	93.1	Very high	15 Å²	15	39.2 Å²	39.2	10%	0.101	22%	0.217	C	C	.	.			trans	-105.4	105.7	-178.3	-167	0	0	0	0	109.9	L202 L205 Q206 E210 R241 A468	L202-C208 HydrophobicContact CD1-CB 4.1Å; L205-C208 HydrophobicContact CB-CB 4.49Å; Q206-C208 VanDerWaalsContact C-N 3.32Å; Q206-C208 PolarHBondContact O-N 3.32Å; C208-E210 PolarHBondContact SG-O 3.09Å; C208-R241 WeakPolarHBondContact O-CD 3.08Å; C208-R241 PolarHBondContact O-NH1 2.9Å; C208-A468 HydrophobicContact CB-CB 4.06Å
209	A	83.2	Confident	93.2	Very high	90 Å²	90	39.2 Å²	39.2	74%	0.744	22%	0.217	S	C	*	.			trans	-84.3	-25.5	-177.9	0	0	0	0	0	113.5
210	E	89.5	Confident	93.3	Very high	153 Å²	153	38.7 Å²	38.7	72%	0.715	21%	0.213	S	C	*	.	S	Bend	trans	-121.2	168.5	-169.8	-63.2	-177.4	176.1	0	0	112.1	C208	C208-E210 PolarHBondContact SG-O 3.09Å
211	S	93	Very high	93.5	Very high	36 Å²	36	36.6 Å²	36.6	25%	0.252	20%	0.2	S	C	.	.			trans	-66.6	146	169.1	-66.3	0	0	0	0	110.5	R242	S211-R242 CarbonylContact C-O 3.37Å; S211-R242 VanDerWaalsContact CA-O 3.31Å; S211-R242 WeakPolarHBondContact CA-O 3.08Å; S211-R242 VanDerWaalsContact CB-O 3.29Å; S211-R242 WeakPolarHBondContact CB-O 3.03Å; S211-R242 PolarHBondContact OG-N 3.23Å
212	I	94.3	Very high	93.6	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.4	176.4	-61	171.6	0	0	0	107.8	F198 L202 R242 L243 I244 E464 A468	F198-I212 HydrophobicContact CZ-CD1 4.36Å; L202-I212 HydrophobicContact CD1-CD1 3.89Å; L202-I212 HydrophobicContact CD2-CD1 4.4Å; I212-R242 PolarHBondContact N-O 2.96Å; I212-L243 HydrophobicContact CB-CD1 3.9Å; I212-L243 HydrophobicContact CG2-CD1 3.6Å; I212-I244 PolarHBondContact O-N 2.76Å; I212-E464 HydrophobicContact CD1-CB 4.42Å; I212-E464 HydrophobicContact CG2-CG 4.41Å; I212-E464 WeakPolarHBondContact CG2-OE2 3.07Å; I212-A468 HydrophobicContact CD1-CB 4Å
213	H	94.7	Very high	93.8	Very high	40 Å²	40	36.3 Å²	36.3	19%	0.185	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.1	175.1	-69.6	-113.3	0	0	0	109.4	I244 H246 Y286 R289	H213-I244 VanDerWaalsContact CE1-CD1 3.46Å; H213-I244 WeakPolarHBondContact CE1-CD1 3.44Å; H213-H246 AromaticContact CG-NE2 3.92Å; H213-H246 AromaticContact ND1-CE1 3.92Å; H213-H246 AromaticContact ND1-NE2 3.25Å; H213-H246 PolarHBondContact ND1-NE2 3.39Å; H213-Y286 HydrophobicContact CB-CD1 3.74Å; H213-Y286 HydrophobicContact CB-CD2 3.61Å; H213-Y286 HydrophobicContact CB-CE1 3.86Å; H213-Y286 HydrophobicContact CB-CE2 3.78Å; H213-Y286 HydrophobicContact CB-CG 3.61Å; H213-Y286 AromaticContact CD2-CE1 3.93Å; H213-Y286 AromaticContact CD2-CZ 3.74Å; H213-Y286 AromaticContact CE1-CE2 3.66Å; H213-Y286 AromaticContact CE1-CZ 3.46Å; H213-Y286 VanDerWaalsContact CE1-CZ 3.46Å; H213-Y286 PolarHBondContact CE1-OH 3.5Å; H213-Y286 AromaticContact CG-CD2 3.89Å; H213-Y286 AromaticContact CG-CE1 3.72Å; H213-Y286 AromaticContact CG-CE2 3.49Å; H213-Y286 VanDerWaalsContact CG-CE2 3.49Å; H213-Y286 AromaticContact CG-CZ 3.38Å; H213-Y286 AromaticContact ND1-CD2 3.73Å; H213-Y286 AromaticContact ND1-CE2 3.03Å; H213-Y286 WeakPolarHBondContact ND1-CE2 3.38Å; H213-Y286 AromaticContact ND1-CZ 3.2Å; H213-Y286 PolarHBondContact ND1-OH 3.32Å; H213-Y286 AromaticContact NE2-CZ 3.8Å; H213-Y286 PolarHBondContact NE2-OH 2.89Å; H213-R289 WeakPolarHBondContact O-CD 2.97Å
214	L	96.9	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.4	-178.3	177.8	63.1	0	0	0	110.2	V216 L243 I244 L245 H246 R289 A291 Y302 I460 E464	L214-V216 HydrophobicContact CD2-CG2 3.97Å; L214-V216 HydrophobicContact CG-CG2 3.9Å; L214-L243 HydrophobicContact CB-CD1 4.26Å; L214-I244 PolarHBondContact N-O 2.9Å; L214-L245 HydrophobicContact CB-CD2 4.38Å; L214-L245 HydrophobicContact CD2-CD2 4.29Å; L214-H246 PolarHBondContact O-N 3.4Å; L214-R289 HydrophobicContact CD1-CG 3.77Å; L214-A291 HydrophobicContact CD1-CB 4.1Å; L214-A291 HydrophobicContact CD2-CB 4.08Å; L214-A291 HydrophobicContact CG-CB 4.36Å; L214-Y302 HydrophobicContact CD1-CD1 4.45Å; L214-Y302 HydrophobicContact CD1-CE1 3.77Å; L214-Y302 HydrophobicContact CD2-CE1 4.33Å; L214-I460 HydrophobicContact CD2-CG2 3.53Å; L214-E464 HydrophobicContact CD2-CG 4.15Å
215	N	96.9	Very high	94.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.7	166.5	-51.6	-57.8	0	0	0	108.8	H246 Y248 Y286 R289 W290 A291	N215-H246 CarbonylContact C-O 3.4Å; N215-H246 WeakPolarHBondContact CA-O 3.38Å; N215-Y248 HydrophobicContact CB-CD2 4.17Å; N215-Y248 HydrophobicContact CB-CE2 3.78Å; N215-Y286 PolarHBondContact ND2-O 3.13Å; N215-R289 WeakPolarHBondContact CB-O 3.36Å; N215-R289 PolarHBondContact N-O 3.44Å; N215-R289 VanDerWaalsContact N-O 3.13Å; N215-R289 PolarHBondContact ND2-O 2.92Å; N215-W290 HydrophobicContact CB-CD2 3.48Å; N215-W290 VanDerWaalsContact CB-CD2 3.48Å; N215-W290 HydrophobicContact CB-CE3 3.62Å; N215-W290 HydrophobicContact CB-CG 4.02Å; N215-W290 HydrophobicContact CB-CH2 3.91Å; N215-W290 HydrophobicContact CB-CZ2 3.76Å; N215-W290 HydrophobicContact CB-CZ3 3.85Å; N215-W290 PolarHBondContact ND2-NE1 2.98Å; N215-W290 WeakPolarHBondContact O-CA 3.5Å; N215-A291 PolarHBondContact O-N 2.88Å
216	V	98.2	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.2	178.1	-167.5	0	0	0	0	109.5	L214 L227 L245 H246 L247 Y248 A291 I460	L214-V216 HydrophobicContact CD2-CG2 3.97Å; L214-V216 HydrophobicContact CG-CG2 3.9Å; V216-L227 HydrophobicContact CB-CD1 4.46Å; V216-L227 HydrophobicContact CG1-CD1 3.71Å; V216-L245 HydrophobicContact CG2-CD2 4.11Å; V216-H246 PolarHBondContact N-O 3.13Å; V216-L247 HydrophobicContact CB-CD2 3.86Å; V216-L247 HydrophobicContact CG2-CD2 4.1Å; V216-Y248 PolarHBondContact O-N 3.27Å; V216-A291 WeakPolarHBondContact CA-O 3.38Å; V216-A291 HydrophobicContact CG1-CB 4.36Å; V216-A291 HydrophobicContact CG2-CB 4.42Å; V216-I460 HydrophobicContact CG1-CD1 4.24Å
217	D	98	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113	164.8	165.7	34.8	0	0	0	109.4	A219 N249 G263 P274 A291 T292 I293	D217-A219 PolarHBondContact OD1-N 2.79Å; D217-A219 VanDerWaalsContact OD1-N 3.14Å; D217-N249 WeakPolarHBondContact OD1-CB 3.3Å; D217-N249 PolarHBondContact OD1-ND2 3.16Å; D217-G263 WeakPolarHBondContact OD2-CA 3.35Å; D217-G263 PolarHBondContact OD2-N 3.02Å; D217-P274 HydrophobicContact CB-CB 4.32Å; D217-P274 HydrophobicContact CB-CG 3.88Å; D217-P274 WeakPolarHBondContact OD2-CB 3.32Å; D217-A291 PolarHBondContact N-O 2.72Å; D217-T292 WeakPolarHBondContact O-CA 3.34Å; D217-T292 PolarHBondContact OD2-OG1 2.86Å; D217-I293 PolarHBondContact O-N 3.28Å
218	C	98.7	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.			trans	-95.2	8.8	-174.6	-59	0	0	0	0	113.8	H220 G221 Y248 N249 T250	C218-H220 PolarHBondContact O-N 2.77Å; C218-G221 PolarHBondContact O-N 2.83Å; C218-Y248 WeakPolarHBondContact CB-O 3.46Å; C218-Y248 PolarHBondContact N-O 3.44Å; C218-N249 CarbonylContact C-O 3.48Å; C218-T250 HydrophobicContact CB-CG2 4.37Å
219	A	98.5	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	20.7	176.7	0	0	0	0	0	116.3	D217 G221 L258 N259 I293	D217-A219 PolarHBondContact OD1-N 2.79Å; D217-A219 VanDerWaalsContact OD1-N 3.14Å; A219-G221 PolarHBondContact O-N 2.92Å; A219-G221 VanDerWaalsContact O-N 3.11Å; A219-L258 WeakPolarHBondContact O-CA 3.36Å; A219-N259 PolarHBondContact O-N 3.42Å; A219-I293 WeakPolarHBondContact CB-O 3.42Å
220	H	98.6	Very high	97.3	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.014	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	21.7	-168	-56.7	-85	0	0	0	113.3	C218 N249 E251 L257 T277	C218-H220 PolarHBondContact O-N 2.77Å; H220-N249 WeakPolarHBondContact CA-O 3.49Å; H220-N249 VanDerWaalsContact CE1-CA 3.42Å; H220-N249 WeakPolarHBondContact CE1-CA 3.43Å; H220-N249 PolarHBondContact N-O 3.42Å; H220-N249 WeakPolarHBondContact NE2-CB 3.29Å; H220-N249 PolarHBondContact NE2-OD1 3.23Å; H220-E251 WeakPolarHBondContact ND1-CB 3.47Å; H220-E251 PolarHBondContact ND1-N 3.18Å; H220-E251 VanDerWaalsContact ND1-N 3.14Å; H220-L257 HydrophobicContact CB-CB 3.95Å; H220-L257 PolarHBondContact CD2-O 3.36Å; H220-L257 VanDerWaalsContact CD2-O 3.27Å; H220-T277 PolarHBondContact CE1-O 3.42Å
221	G	98.7	Very high	97.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-90.9	173.8	-175.5	0	0	0	0	0	114.2	C218 A219 G223 S224 T252 G295	C218-G221 PolarHBondContact O-N 2.83Å; A219-G221 PolarHBondContact O-N 2.92Å; A219-G221 VanDerWaalsContact O-N 3.11Å; G221-G223 PolarHBondContact O-N 2.84Å; G221-S224 WeakPolarHBondContact O-CB 3.46Å; G221-S224 PolarHBondContact O-N 3.46Å; G221-S224 VanDerWaalsContact O-N 3.11Å; G221-S224 PolarHBondContact O-OG 2.73Å; G221-T252 WeakPolarHBondContact O-CG2 3.29Å; G221-G295 CarbonylContact C-O 3.57Å; G221-G295 VanDerWaalsContact CA-O 3.28Å; G221-G295 WeakPolarHBondContact CA-O 3.34Å
222	V	98.8	Very high	98	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-26.2	-179.8	66.9	0	0	0	0	112.2	D131 T132 L159 V160 T161 S224 K225 V226 G295	D131-V222 HydrophobicContact CB-CG1 4.22Å; T132-V222 HydrophobicContact CG2-CB 3.87Å; T132-V222 HydrophobicContact CG2-CG2 4.27Å; L159-V222 HydrophobicContact CB-CG2 4.32Å; V160-V222 WeakPolarHBondContact O-CG1 3.4Å; T161-V222 HydrophobicContact CG2-CG1 3.9Å; V222-S224 PolarHBondContact O-N 3.4Å; V222-K225 PolarHBondContact O-N 3.33Å; V222-V226 PolarHBondContact O-N 3.06Å; V222-G295 PolarHBondContact N-O 3.4Å
223	G	98.7	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.8	-31.6	173.7	0	0	0	0	0	113.7	G221 K225 V226 L227	G221-G223 PolarHBondContact O-N 2.84Å; G223-K225 VanDerWaalsContact C-N 3.33Å; G223-K225 PolarHBondContact O-N 3.47Å; G223-V226 PolarHBondContact O-N 2.68Å; G223-L227 WeakPolarHBondContact O-CB 3.38Å; G223-L227 WeakPolarHBondContact O-CG 3.31Å; G223-L227 PolarHBondContact O-N 3.44Å
224	S	98.6	Very high	98.2	Very high	5 Å²	5	21.3 Å²	21.3	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-58.2	-43.1	174.5	63	0	0	0	0	112.6	G221 V222 V226 E228 T252	G221-S224 WeakPolarHBondContact O-CB 3.46Å; G221-S224 PolarHBondContact O-N 3.46Å; G221-S224 VanDerWaalsContact O-N 3.11Å; G221-S224 PolarHBondContact O-OG 2.73Å; V222-S224 PolarHBondContact O-N 3.4Å; S224-V226 VanDerWaalsContact C-N 3.3Å; S224-V226 PolarHBondContact O-N 3.37Å; S224-E228 WeakPolarHBondContact O-CB 3.35Å; S224-E228 PolarHBondContact O-N 2.99Å; S224-T252 WeakPolarHBondContact OG-CG2 3.22Å
225	K	98.5	Very high	98.2	Very high	70 Å²	70	25 Å²	25	30%	0.304	13%	0.126	S	C	.	.	H	α-helix	trans	-66.8	-33.6	180	-64	-173.5	-176.4	-69.4	0	111.6	L159 V222 G223 R229 T252 E253	L159-K225 HydrophobicContact CD1-CD 4.18Å; V222-K225 PolarHBondContact O-N 3.33Å; G223-K225 VanDerWaalsContact C-N 3.33Å; G223-K225 PolarHBondContact O-N 3.47Å; K225-R229 WeakPolarHBondContact O-CG 3.19Å; K225-T252 WeakPolarHBondContact CE-OG1 3.48Å; K225-T252 HydrophobicContact CG-CG2 4.21Å; K225-T252 PolarHBondContact NZ-OG1 3.49Å; K225-E253 IonicContact NZ-OE1 2.71Å; K225-E253 PolarHBondContact NZ-OE1 2.75Å; K225-E253 VanDerWaalsContact NZ-OE1 3.1Å
226	V	98.6	Very high	98.1	Very high	4 Å²	4	29 Å²	29	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-77.7	-46	179.3	-176.4	0	0	0	0	110.7	T161 Y190 V191 V222 G223 S224 E228 R229 F230 I457	T161-V226 HydrophobicContact CG2-CB 4.47Å; T161-V226 HydrophobicContact CG2-CG2 3.83Å; Y190-V226 HydrophobicContact CE1-CG1 4.14Å; V191-V226 HydrophobicContact CG2-CG1 4.25Å; V222-V226 PolarHBondContact O-N 3.06Å; G223-V226 PolarHBondContact O-N 2.68Å; S224-V226 VanDerWaalsContact C-N 3.3Å; S224-V226 PolarHBondContact O-N 3.37Å; V226-E228 PolarHBondContact O-N 3.29Å; V226-R229 WeakPolarHBondContact O-CA 3.48Å; V226-R229 WeakPolarHBondContact O-CB 3.36Å; V226-R229 PolarHBondContact O-N 3.5Å; V226-F230 HydrophobicContact CG1-CD2 4.14Å; V226-F230 HydrophobicContact CG1-CE2 3.96Å; V226-F230 WeakPolarHBondContact O-CD2 3.46Å; V226-F230 PolarHBondContact O-N 2.85Å; V226-F230 VanDerWaalsContact O-N 3.16Å; V226-I457 HydrophobicContact CB-CD1 3.68Å; V226-I457 HydrophobicContact CG1-CD1 3.54Å
227	L	98.8	Very high	97.8	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-29.9	175.8	-75.1	169.9	0	0	0	112.4	V216 G223 R229 F230 R231 L245 L247 I293 I457	V216-L227 HydrophobicContact CB-CD1 4.46Å; V216-L227 HydrophobicContact CG1-CD1 3.71Å; G223-L227 WeakPolarHBondContact O-CB 3.38Å; G223-L227 WeakPolarHBondContact O-CG 3.31Å; G223-L227 PolarHBondContact O-N 3.44Å; L227-R229 VanDerWaalsContact C-N 3.27Å; L227-R229 PolarHBondContact O-N 3.06Å; L227-F230 PolarHBondContact O-N 2.67Å; L227-R231 WeakPolarHBondContact O-CB 3.13Å; L227-R231 PolarHBondContact O-N 2.78Å; L227-L245 HydrophobicContact CD2-CD1 4.14Å; L227-L247 HydrophobicContact CB-CD1 3.88Å; L227-L247 HydrophobicContact CB-CD2 3.88Å; L227-L247 HydrophobicContact CD1-CD2 4.17Å; L227-I293 HydrophobicContact CD1-CD1 3.77Å; L227-I457 HydrophobicContact CD2-CG1 4.16Å; L227-I457 HydrophobicContact CD2-CG2 4Å; L227-I457 HydrophobicContact CG-CD1 4.22Å; L227-I457 HydrophobicContact CG-CG1 4.21Å
228	E	98.6	Very high	97.2	Very high	74 Å²	74	40.8 Å²	40.8	35%	0.346	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-38	171	-171.6	58.6	-133.4	0	0	112.1	S224 V226 R231 A232 L247	S224-E228 WeakPolarHBondContact O-CB 3.35Å; S224-E228 PolarHBondContact O-N 2.99Å; V226-E228 PolarHBondContact O-N 3.29Å; E228-R231 WeakPolarHBondContact O-CB 3.34Å; E228-R231 PolarHBondContact O-N 3.05Å; E228-R231 IonicContact OE1-CZ 2.75Å; E228-R231 IonicContact OE1-NE 3.19Å; E228-R231 PolarHBondContact OE1-NE 3.45Å; E228-R231 IonicContact OE1-NH2 2.71Å; E228-R231 PolarHBondContact OE1-NH2 3.3Å; E228-R231 IonicContact OE2-CZ 2.77Å; E228-R231 IonicContact OE2-NE 3.47Å; E228-R231 PolarHBondContact OE2-NE 3.47Å; E228-R231 IonicContact OE2-NH1 3.51Å; E228-R231 IonicContact OE2-NH2 3.9Å; E228-R231 PolarHBondContact OE2-NH2 2.94Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.08Å; E228-L247 HydrophobicContact CB-CD1 4.43Å
229	R	98.3	Very high	96.5	Very high	96 Å²	96	42.3 Å²	42.3	36%	0.362	22%	0.223	S	C	.	.	H	α-helix	trans	-70.7	-41.2	177.7	-56.3	168.2	80.5	172.9	8.7	111	E187 V191 K225 V226 L227 A232 Y233	E187-R229 VanDerWaalsContact CB-NH2 3.28Å; E187-R229 IonicContact OE1-CZ 3.95Å; E187-R229 VanDerWaalsContact OE1-CZ 3.27Å; E187-R229 IonicContact OE1-NE 3.4Å; E187-R229 PolarHBondContact OE1-NE 3.04Å; E187-R229 IonicContact OE1-NH2 3.1Å; E187-R229 PolarHBondContact OE1-NH2 2.85Å; E187-R229 IonicContact OE2-CZ 3.72Å; E187-R229 IonicContact OE2-NE 3.39Å; E187-R229 PolarHBondContact OE2-NE 2.81Å; E187-R229 IonicContact OE2-NH1 3.29Å; E187-R229 IonicContact OE2-NH2 3.94Å; E187-R229 PolarHBondContact OE2-NH2 3.23Å; V191-R229 HydrophobicContact CG1-CB 3.97Å; V191-R229 HydrophobicContact CG2-CB 4.32Å; K225-R229 WeakPolarHBondContact O-CG 3.19Å; V226-R229 WeakPolarHBondContact O-CA 3.48Å; V226-R229 WeakPolarHBondContact O-CB 3.36Å; V226-R229 PolarHBondContact O-N 3.5Å; L227-R229 VanDerWaalsContact C-N 3.27Å; L227-R229 PolarHBondContact O-N 3.06Å; R229-A232 PolarHBondContact O-N 3.07Å; R229-Y233 PolarHBondContact O-N 3.27Å
230	F	98.6	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-45.7	169.4	-82.6	-89.7	0	0	0	111.9	Y190 V191 F194 A195 V226 L227 A232 Y233 F234 L245 I457 L461	Y190-F230 HydrophobicContact CD1-CE2 4.14Å; Y190-F230 HydrophobicContact CD1-CZ 4.23Å; Y190-F230 AromaticContact CE1-CE2 3.81Å; Y190-F230 HydrophobicContact CE1-CE2 3.81Å; Y190-F230 HydrophobicContact CE1-CZ 4.01Å; V191-F230 HydrophobicContact CB-CD2 4.48Å; V191-F230 HydrophobicContact CB-CE2 4.12Å; V191-F230 HydrophobicContact CB-CZ 4.35Å; V191-F230 HydrophobicContact CG1-CD1 4.39Å; V191-F230 HydrophobicContact CG1-CD2 3.9Å; V191-F230 HydrophobicContact CG1-CE1 4.49Å; V191-F230 HydrophobicContact CG1-CE2 4.01Å; V191-F230 HydrophobicContact CG1-CG 4.1Å; V191-F230 HydrophobicContact CG1-CZ 4.32Å; V191-F230 HydrophobicContact CG2-CD2 4.2Å; V191-F230 HydrophobicContact CG2-CE2 3.78Å; V191-F230 HydrophobicContact CG2-CZ 4.41Å; F194-F230 HydrophobicContact CB-CE1 3.95Å; F194-F230 HydrophobicContact CB-CZ 4.09Å; A195-F230 HydrophobicContact CB-CD1 3.71Å; A195-F230 HydrophobicContact CB-CE1 3.86Å; V226-F230 HydrophobicContact CG1-CD2 4.14Å; V226-F230 HydrophobicContact CG1-CE2 3.96Å; V226-F230 WeakPolarHBondContact O-CD2 3.46Å; V226-F230 PolarHBondContact O-N 2.85Å; V226-F230 VanDerWaalsContact O-N 3.16Å; L227-F230 PolarHBondContact O-N 2.67Å; F230-A232 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 3.16Å; F230-Y233 WeakPolarHBondContact O-CB 3.35Å; F230-Y233 PolarHBondContact O-N 2.86Å; F230-F234 HydrophobicContact CB-CD2 4.39Å; F230-F234 HydrophobicContact CB-CE2 3.96Å; F230-F234 HydrophobicContact CD1-CE2 4.05Å; F230-F234 AromaticContact CD1-CZ 3.96Å; F230-F234 HydrophobicContact CD1-CZ 3.96Å; F230-F234 WeakPolarHBondContact O-CD2 3.45Å; F230-F234 WeakPolarHBondContact O-CG 3.24Å; F230-F234 PolarHBondContact O-N 2.9Å; F230-L245 HydrophobicContact CB-CD1 4.21Å; F230-I457 HydrophobicContact CD2-CG2 3.94Å; F230-I457 HydrophobicContact CE2-CG2 3.55Å; F230-I457 HydrophobicContact CZ-CG2 3.91Å; F230-L461 HydrophobicContact CD1-CD1 4.29Å; F230-L461 HydrophobicContact CE1-CD1 3.72Å; F230-L461 HydrophobicContact CZ-CD1 4.48Å
231	R	98.2	Very high	95.3	Very high	89 Å²	89	49.2 Å²	49.2	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-58.8	-43.7	177	-176.4	175.2	78.6	163.6	3.9	111.7	L227 E228 S235 L245	L227-R231 WeakPolarHBondContact O-CB 3.13Å; L227-R231 PolarHBondContact O-N 2.78Å; E228-R231 WeakPolarHBondContact O-CB 3.34Å; E228-R231 PolarHBondContact O-N 3.05Å; E228-R231 IonicContact OE1-CZ 2.75Å; E228-R231 IonicContact OE1-NE 3.19Å; E228-R231 PolarHBondContact OE1-NE 3.45Å; E228-R231 IonicContact OE1-NH2 2.71Å; E228-R231 PolarHBondContact OE1-NH2 3.3Å; E228-R231 IonicContact OE2-CZ 2.77Å; E228-R231 IonicContact OE2-NE 3.47Å; E228-R231 PolarHBondContact OE2-NE 3.47Å; E228-R231 IonicContact OE2-NH1 3.51Å; E228-R231 IonicContact OE2-NH2 3.9Å; E228-R231 PolarHBondContact OE2-NH2 2.94Å; R231-S235 WeakPolarHBondContact O-CB 3.43Å; R231-S235 PolarHBondContact O-N 2.86Å; R231-S235 PolarHBondContact O-OG 2.82Å; R231-L245 HydrophobicContact CB-CB 4.4Å; R231-L245 HydrophobicContact CB-CD1 4.43Å; R231-L245 VanDerWaalsContact CD-O 3.29Å; R231-L245 WeakPolarHBondContact CD-O 3.3Å; R231-L245 HydrophobicContact CG-CB 4.46Å
232	A	98	Very high	95	Very high	56 Å²	56	54.6 Å²	54.6	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-45	175.4	0	0	0	0	0	111.5	E228 R229 F230 S235 S236	E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.08Å; R229-A232 PolarHBondContact O-N 3.07Å; F230-A232 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 3.16Å; A232-S235 PolarHBondContact O-N 3.17Å; A232-S236 PolarHBondContact O-N 3.2Å
233	Y	97.7	Very high	94.9	Very high	43 Å²	43	54.7 Å²	54.7	17%	0.169	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-55.3	175.4	-175.7	-80.9	0	0	0	111.3	H192 A195 E196 R229 F230 S235 S236 V237	H192-Y233 HydrophobicContact CB-CE2 4.38Å; H192-Y233 AromaticContact CD2-CD2 3.55Å; H192-Y233 AromaticContact CD2-CE2 3.96Å; A195-Y233 HydrophobicContact CB-CD1 3.29Å; A195-Y233 HydrophobicContact CB-CD2 4.29Å; A195-Y233 HydrophobicContact CB-CE1 3.68Å; A195-Y233 HydrophobicContact CB-CG 3.65Å; E196-Y233 VanDerWaalsContact CA-OH 3.28Å; E196-Y233 WeakPolarHBondContact CA-OH 3.48Å; E196-Y233 WeakPolarHBondContact CB-OH 3.4Å; R229-Y233 PolarHBondContact O-N 3.27Å; F230-Y233 WeakPolarHBondContact O-CB 3.35Å; F230-Y233 PolarHBondContact O-N 2.86Å; Y233-S235 PolarHBondContact O-N 3.22Å; Y233-S236 WeakPolarHBondContact O-CB 3.25Å; Y233-S236 PolarHBondContact O-N 3.23Å; Y233-S236 PolarHBondContact O-OG 3.28Å; Y233-V237 HydrophobicContact CD1-CG2 4.04Å; Y233-V237 HydrophobicContact CE1-CG2 3.57Å; Y233-V237 PolarHBondContact O-N 2.91Å
234	F	97.2	Very high	94.7	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-29.2	-179.5	-63.4	-44.7	0	0	0	113.2	A195 F198 T199 F230 L243 L245 L461	A195-F234 HydrophobicContact CB-CD1 4.46Å; A195-F234 HydrophobicContact CB-CE1 3.78Å; A195-F234 HydrophobicContact CB-CZ 4.04Å; F198-F234 AromaticContact CD1-CE1 3.87Å; F198-F234 HydrophobicContact CD1-CE1 3.87Å; F198-F234 HydrophobicContact CD1-CZ 4.03Å; T199-F234 WeakPolarHBondContact OG1-CD1 3.42Å; T199-F234 WeakPolarHBondContact OG1-CE1 3.29Å; F230-F234 HydrophobicContact CB-CD2 4.39Å; F230-F234 HydrophobicContact CB-CE2 3.96Å; F230-F234 HydrophobicContact CD1-CE2 4.05Å; F230-F234 AromaticContact CD1-CZ 3.96Å; F230-F234 HydrophobicContact CD1-CZ 3.96Å; F230-F234 WeakPolarHBondContact O-CD2 3.45Å; F230-F234 WeakPolarHBondContact O-CG 3.24Å; F230-F234 PolarHBondContact O-N 2.9Å; F234-L243 WeakPolarHBondContact CB-O 3.42Å; F234-L243 HydrophobicContact CD2-CB 4.23Å; F234-L243 HydrophobicContact CD2-CD2 4.46Å; F234-L243 HydrophobicContact CD2-CG 4.46Å; F234-L243 HydrophobicContact CE2-CB 4.26Å; F234-L243 HydrophobicContact CE2-CD2 3.81Å; F234-L243 HydrophobicContact CE2-CG 4.29Å; F234-L243 HydrophobicContact CZ-CD2 4.21Å; F234-L245 HydrophobicContact CD2-CD1 4.3Å; F234-L245 HydrophobicContact CE2-CD1 4.24Å; F234-L461 HydrophobicContact CE2-CD2 4.2Å; F234-L461 HydrophobicContact CZ-CD2 3.8Å
235	S	95.8	Very high	94.7	Very high	79 Å²	79	56.5 Å²	56.5	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-74.8	-26.7	175	-59.6	0	0	0	0	112.8	R231 A232 Y233	R231-S235 WeakPolarHBondContact O-CB 3.43Å; R231-S235 PolarHBondContact O-N 2.86Å; R231-S235 PolarHBondContact O-OG 2.82Å; A232-S235 PolarHBondContact O-N 3.17Å; Y233-S235 PolarHBondContact O-N 3.22Å
236	S	95.7	Very high	94.5	Very high	83 Å²	83	55.7 Å²	55.7	58%	0.58	29%	0.29	S	S	*	.	H	α-helix	trans	-80	-29.7	-179	78.4	0	0	0	0	113.4	A232 Y233	A232-S236 PolarHBondContact O-N 3.2Å; Y233-S236 WeakPolarHBondContact O-CB 3.25Å; Y233-S236 PolarHBondContact O-N 3.23Å; Y233-S236 PolarHBondContact O-OG 3.28Å
237	V	91.2	Very high	94.5	Very high	41 Å²	41	56.5 Å²	56.5	25%	0.248	29%	0.294	C	S	.	.	S	Bend	trans	-75.4	133.3	-179.4	-175.2	0	0	0	0	110.3	T199 Y233 G239	T199-V237 HydrophobicContact CG2-CB 4.31Å; T199-V237 HydrophobicContact CG2-CG1 3.82Å; T199-V237 HydrophobicContact CG2-CG2 4.48Å; Y233-V237 HydrophobicContact CD1-CG2 4.04Å; Y233-V237 HydrophobicContact CE1-CG2 3.57Å; Y233-V237 PolarHBondContact O-N 2.91Å; V237-G239 PolarHBondContact O-N 3.43Å
238	K	85.5	Confident	94.4	Very high	208 Å²	208	58.4 Å²	58.4	90%	0.904	30%	0.301	S	S	*	.			trans	-92.9	95.1	176.3	-65.9	-177.6	-178.3	178.4	0	109.4
239	G	83.5	Confident	94.3	Very high	31 Å²	31	55 Å²	55	32%	0.32	29%	0.286	S	S	.	.			trans	-135.1	159.4	173.8	0	0	0	0	0	111.5	V237 R241	V237-G239 PolarHBondContact O-N 3.43Å; G239-R241 PolarHBondContact O-N 3.04Å
240	P	84.6	Confident	94.3	Very high	109 Å²	109	53.4 Å²	53.4	71%	0.708	29%	0.287	S	S	*	.	S	Bend	trans	-66.6	-19.6	175.3	28.5	-34.9	0	0	0	112.6
241	R	88	Confident	94.3	Very high	40 Å²	40	57 Å²	57	15%	0.151	30%	0.303	C	S	.	.			trans	-139.7	143.8	-175	-64.4	163.8	-68.6	180	3.4	109.1	L202 E203 L205 C208 G239	L202-R241 HydrophobicContact CD2-CB 4.38Å; L202-R241 HydrophobicContact CG-CB 4.48Å; E203-R241 PolarHBondContact O-NH2 3.16Å; L205-R241 PolarHBondContact O-NH1 2.98Å; C208-R241 WeakPolarHBondContact O-CD 3.08Å; C208-R241 PolarHBondContact O-NH1 2.9Å; G239-R241 PolarHBondContact O-N 3.04Å
242	R	92.6	Very high	94.2	Very high	113 Å²	113	53.1 Å²	53.1	43%	0.426	29%	0.29	S	S	.	.			trans	-153.4	164.1	179.3	58.3	-177.8	-177.9	-154.6	0.9	110.8	S211 I212 I244	S211-R242 CarbonylContact C-O 3.37Å; S211-R242 VanDerWaalsContact CA-O 3.31Å; S211-R242 WeakPolarHBondContact CA-O 3.08Å; S211-R242 VanDerWaalsContact CB-O 3.29Å; S211-R242 WeakPolarHBondContact CB-O 3.03Å; S211-R242 PolarHBondContact OG-N 3.23Å; I212-R242 PolarHBondContact N-O 2.96Å; R242-I244 HydrophobicContact CG-CD1 4.14Å; R242-I244 HydrophobicContact CG-CG1 3.74Å
243	L	95.5	Very high	94.2	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.7	163.1	177.9	61	0	0	0	109	F198 I212 L214 F234 L245 L461 E464	F198-L243 HydrophobicContact CD1-CB 4.41Å; F198-L243 HydrophobicContact CE1-CB 3.57Å; F198-L243 HydrophobicContact CE1-CD2 4.03Å; F198-L243 HydrophobicContact CE1-CG 4.41Å; F198-L243 HydrophobicContact CZ-CB 4.1Å; F198-L243 HydrophobicContact CZ-CD2 4.08Å; I212-L243 HydrophobicContact CB-CD1 3.9Å; I212-L243 HydrophobicContact CG2-CD1 3.6Å; L214-L243 HydrophobicContact CB-CD1 4.26Å; F234-L243 WeakPolarHBondContact CB-O 3.42Å; F234-L243 HydrophobicContact CD2-CB 4.23Å; F234-L243 HydrophobicContact CD2-CD2 4.46Å; F234-L243 HydrophobicContact CD2-CG 4.46Å; F234-L243 HydrophobicContact CE2-CB 4.26Å; F234-L243 HydrophobicContact CE2-CD2 3.81Å; F234-L243 HydrophobicContact CE2-CG 4.29Å; F234-L243 HydrophobicContact CZ-CD2 4.21Å; L243-L245 HydrophobicContact CD1-CD2 4.13Å; L243-L245 HydrophobicContact CD2-CD2 3.92Å; L243-L245 HydrophobicContact CD2-CG 4.45Å; L243-L245 HydrophobicContact CG-CD2 3.83Å; L243-L245 HydrophobicContact CG-CG 4.19Å; L243-L461 HydrophobicContact CD2-CD2 3.65Å; L243-E464 HydrophobicContact CD1-CG 4.45Å
244	I	95.8	Very high	94.2	Very high	35 Å²	35	58.3 Å²	58.3	18%	0.179	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.6	179	-57.6	176.9	0	0	0	107.3	I212 H213 L214 R242	I212-I244 PolarHBondContact O-N 2.76Å; H213-I244 VanDerWaalsContact CE1-CD1 3.46Å; H213-I244 WeakPolarHBondContact CE1-CD1 3.44Å; L214-I244 PolarHBondContact N-O 2.9Å; R242-I244 HydrophobicContact CG-CD1 4.14Å; R242-I244 HydrophobicContact CG-CG1 3.74Å
245	L	97.3	Very high	94.2	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.9	-179	-61.7	176.4	0	0	0	110.8	L214 V216 L227 F230 R231 F234 L243 L247	L214-L245 HydrophobicContact CB-CD2 4.38Å; L214-L245 HydrophobicContact CD2-CD2 4.29Å; V216-L245 HydrophobicContact CG2-CD2 4.11Å; L227-L245 HydrophobicContact CD2-CD1 4.14Å; F230-L245 HydrophobicContact CB-CD1 4.21Å; R231-L245 HydrophobicContact CB-CB 4.4Å; R231-L245 HydrophobicContact CB-CD1 4.43Å; R231-L245 VanDerWaalsContact CD-O 3.29Å; R231-L245 WeakPolarHBondContact CD-O 3.3Å; R231-L245 HydrophobicContact CG-CB 4.46Å; F234-L245 HydrophobicContact CD2-CD1 4.3Å; F234-L245 HydrophobicContact CE2-CD1 4.24Å; L243-L245 HydrophobicContact CD1-CD2 4.13Å; L243-L245 HydrophobicContact CD2-CD2 3.92Å; L243-L245 HydrophobicContact CD2-CG 4.45Å; L243-L245 HydrophobicContact CG-CD2 3.83Å; L243-L245 HydrophobicContact CG-CG 4.19Å; L245-L247 HydrophobicContact CB-CD2 3.87Å; L245-L247 HydrophobicContact CB-CG 4.35Å
246	H	96.2	Very high	94.2	Very high	54 Å²	54	62.7 Å²	62.7	25%	0.25	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	97.8	170.2	-53.5	-77.2	0	0	0	107.9	H213 L214 N215 V216 Y248	H213-H246 AromaticContact CG-NE2 3.92Å; H213-H246 AromaticContact ND1-CE1 3.92Å; H213-H246 AromaticContact ND1-NE2 3.25Å; H213-H246 PolarHBondContact ND1-NE2 3.39Å; L214-H246 PolarHBondContact O-N 3.4Å; N215-H246 CarbonylContact C-O 3.4Å; N215-H246 WeakPolarHBondContact CA-O 3.38Å; V216-H246 PolarHBondContact N-O 3.13Å; H246-Y248 HydrophobicContact CB-CE2 3.81Å; H246-Y248 VanDerWaalsContact O-CD2 3.24Å; H246-Y248 WeakPolarHBondContact O-CD2 3.45Å; H246-Y248 WeakPolarHBondContact O-CE2 3.2Å
247	L	97.1	Very high	94.3	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.2	-174	-53.4	-177.9	0	0	0	110.6	V216 L227 E228 L245 T250	V216-L247 HydrophobicContact CB-CD2 3.86Å; V216-L247 HydrophobicContact CG2-CD2 4.1Å; L227-L247 HydrophobicContact CB-CD1 3.88Å; L227-L247 HydrophobicContact CB-CD2 3.88Å; L227-L247 HydrophobicContact CD1-CD2 4.17Å; E228-L247 HydrophobicContact CB-CD1 4.43Å; L245-L247 HydrophobicContact CB-CD2 3.87Å; L245-L247 HydrophobicContact CB-CG 4.35Å; L247-T250 HydrophobicContact CB-CG2 3.8Å
248	Y	96.7	Very high	94.7	Very high	42 Å²	42	57.7 Å²	57.7	17%	0.165	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	160.4	177.6	-63.2	-85.8	0	0	0	110.3	N215 V216 C218 H246 L276 N280 W290	N215-Y248 HydrophobicContact CB-CD2 4.17Å; N215-Y248 HydrophobicContact CB-CE2 3.78Å; V216-Y248 PolarHBondContact O-N 3.27Å; C218-Y248 WeakPolarHBondContact CB-O 3.46Å; C218-Y248 PolarHBondContact N-O 3.44Å; H246-Y248 HydrophobicContact CB-CE2 3.81Å; H246-Y248 VanDerWaalsContact O-CD2 3.24Å; H246-Y248 WeakPolarHBondContact O-CD2 3.45Å; H246-Y248 WeakPolarHBondContact O-CE2 3.2Å; Y248-L276 HydrophobicContact CD1-CD1 4.2Å; Y248-L276 HydrophobicContact CD1-CD2 4.23Å; Y248-L276 HydrophobicContact CE1-CD1 4.42Å; Y248-L276 HydrophobicContact CG-CD2 4.24Å; Y248-N280 HydrophobicContact CE1-CB 4.43Å; Y248-W290 HydrophobicContact CD1-CH2 4.45Å; Y248-W290 AromaticContact CD2-CH2 3.58Å; Y248-W290 HydrophobicContact CD2-CH2 3.58Å; Y248-W290 AromaticContact CD2-CZ3 3.63Å; Y248-W290 HydrophobicContact CD2-CZ3 3.63Å; Y248-W290 AromaticContact CE2-CH2 3.68Å; Y248-W290 HydrophobicContact CE2-CH2 3.68Å; Y248-W290 HydrophobicContact CE2-CZ2 4.34Å; Y248-W290 HydrophobicContact CE2-CZ3 4.14Å; Y248-W290 HydrophobicContact CG-CH2 4Å; Y248-W290 HydrophobicContact CG-CZ3 4.09Å
249	N	97.6	Very high	95.3	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	52.2	61.9	180	-64.9	-21.6	0	0	0	111.3	D217 C218 H220 C262 K275 L276 T277	D217-N249 WeakPolarHBondContact OD1-CB 3.3Å; D217-N249 PolarHBondContact OD1-ND2 3.16Å; C218-N249 CarbonylContact C-O 3.48Å; H220-N249 WeakPolarHBondContact CA-O 3.49Å; H220-N249 VanDerWaalsContact CE1-CA 3.42Å; H220-N249 WeakPolarHBondContact CE1-CA 3.43Å; H220-N249 PolarHBondContact N-O 3.42Å; H220-N249 WeakPolarHBondContact NE2-CB 3.29Å; H220-N249 PolarHBondContact NE2-OD1 3.23Å; N249-C262 VanDerWaalsContact ND2-CB 3.33Å; N249-C262 WeakPolarHBondContact ND2-CB 3.34Å; N249-K275 PolarHBondContact ND2-O 3.44Å; N249-K275 PolarHBondContact OD1-O 3.19Å; N249-L276 WeakPolarHBondContact OD1-CA 3.33Å; N249-T277 PolarHBondContact OD1-N 2.99Å
250	T	98	Very high	96	Very high	62 Å²	62	51.6 Å²	51.6	38%	0.38	25%	0.252	S	S	.	.			trans	-112.3	3.6	-172.2	57.6	0	0	0	0	113.7	C218 L247 T252	C218-T250 HydrophobicContact CB-CG2 4.37Å; L247-T250 HydrophobicContact CB-CG2 3.8Å; T250-T252 PolarHBondContact O-N 3.14Å
251	E	97.3	Very high	96.5	Very high	74 Å²	74	50 Å²	50	35%	0.346	24%	0.238	S	C	.	.			trans	-73.5	80.5	-179.9	-62.1	-173.1	-165.5	0	0	112.9	H220 E253 L257 P278	H220-E251 WeakPolarHBondContact ND1-CB 3.47Å; H220-E251 PolarHBondContact ND1-N 3.18Å; H220-E251 VanDerWaalsContact ND1-N 3.14Å; E251-E253 VanDerWaalsContact C-N 3.32Å; E251-E253 PolarHBondContact O-N 3.09Å; E251-L257 HydrophobicContact CB-CD1 3.95Å; E251-L257 VanDerWaalsContact OE2-CD1 3.3Å; E251-L257 WeakPolarHBondContact OE2-CD1 3.26Å; E251-P278 WeakPolarHBondContact OE1-CD 3.46Å
252	T	97.8	Very high	97	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.055	23%	0.231	C	C	.	.			trans	-77.1	-13.4	-178.6	59.5	0	0	0	0	115	T132 G221 S224 K225 T250 K255	T132-T252 HydrophobicContact CG2-CG2 3.88Å; G221-T252 WeakPolarHBondContact O-CG2 3.29Å; S224-T252 WeakPolarHBondContact OG-CG2 3.22Å; K225-T252 WeakPolarHBondContact CE-OG1 3.48Å; K225-T252 HydrophobicContact CG-CG2 4.21Å; K225-T252 PolarHBondContact NZ-OG1 3.49Å; T250-T252 PolarHBondContact O-N 3.14Å; T252-K255 PolarHBondContact O-NZ 3.35Å
253	E	97.2	Very high	97.3	Very high	131 Å²	131	42.9 Å²	42.9	61%	0.612	21%	0.211	S	C	*	.	S	Bend	trans	-83.1	-30.2	-178.7	-56.4	-45.9	131.6	0	0	111.9	K225 E251 K255	K225-E253 IonicContact NZ-OE1 2.71Å; K225-E253 PolarHBondContact NZ-OE1 2.75Å; K225-E253 VanDerWaalsContact NZ-OE1 3.1Å; E251-E253 VanDerWaalsContact C-N 3.32Å; E251-E253 PolarHBondContact O-N 3.09Å; E253-K255 PolarHBondContact O-N 3.36Å; E253-K255 IonicContact OE2-NZ 2.81Å
254	N	97.3	Very high	97.4	Very high	77 Å²	77	42.8 Å²	42.8	41%	0.412	21%	0.211	S	C	.	.	S	Bend	trans	-83.9	90.1	171.3	-173	-3.6	0	0	0	109.9	E256 L257	N254-E256 PolarHBondContact O-N 3.49Å; N254-E256 VanDerWaalsContact O-N 3.16Å; N254-L257 HydrophobicContact CB-CD1 3.89Å; N254-L257 HydrophobicContact CB-CG 4.11Å; N254-L257 WeakPolarHBondContact O-CB 3.42Å; N254-L257 PolarHBondContact O-N 3.05Å; N254-L257 VanDerWaalsContact O-N 3.07Å
255	K	96.8	Very high	97.4	Very high	54 Å²	54	43 Å²	43	24%	0.235	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.2	-29.5	-168.5	-51.6	-56.2	178.2	-176.7	0	113.8	P73 T132 E134 T252 E253 L257 L258	P73-K255 VanDerWaalsContact CB-O 3.32Å; P73-K255 WeakPolarHBondContact CB-O 3.33Å; P73-K255 WeakPolarHBondContact CG-O 3.45Å; T132-K255 VanDerWaalsContact O-CD 3.28Å; T132-K255 WeakPolarHBondContact O-CD 3.42Å; T132-K255 WeakPolarHBondContact O-CE 3.28Å; T132-K255 PolarHBondContact O-NZ 2.75Å; E134-K255 HydrophobicContact CB-CG 4.19Å; T252-K255 PolarHBondContact O-NZ 3.35Å; E253-K255 PolarHBondContact O-N 3.36Å; E253-K255 IonicContact OE2-NZ 2.81Å; K255-L257 PolarHBondContact O-N 3.47Å; K255-L258 WeakPolarHBondContact O-CB 3.49Å; K255-L258 PolarHBondContact O-N 3.35Å
256	E	97.2	Very high	97.4	Very high	118 Å²	118	44.6 Å²	44.6	55%	0.551	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-67.9	-19	179.3	-64.7	-57.3	136.6	0	0	113.8	N254	N254-E256 PolarHBondContact O-N 3.49Å; N254-E256 VanDerWaalsContact O-N 3.16Å
257	L	98.1	Very high	97.4	Very high	15 Å²	15	42 Å²	42	8%	0.079	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-80.4	-16.6	179.1	-63.2	-179	0	0	0	113.4	H220 E251 N254 K255 N259 Q260 T277	H220-L257 HydrophobicContact CB-CB 3.95Å; H220-L257 PolarHBondContact CD2-O 3.36Å; H220-L257 VanDerWaalsContact CD2-O 3.27Å; E251-L257 HydrophobicContact CB-CD1 3.95Å; E251-L257 VanDerWaalsContact OE2-CD1 3.3Å; E251-L257 WeakPolarHBondContact OE2-CD1 3.26Å; N254-L257 HydrophobicContact CB-CD1 3.89Å; N254-L257 HydrophobicContact CB-CG 4.11Å; N254-L257 WeakPolarHBondContact O-CB 3.42Å; N254-L257 PolarHBondContact O-N 3.05Å; N254-L257 VanDerWaalsContact O-N 3.07Å; K255-L257 PolarHBondContact O-N 3.47Å; L257-N259 PolarHBondContact O-N 2.97Å; L257-N259 VanDerWaalsContact O-N 3.16Å; L257-Q260 WeakPolarHBondContact O-CB 3.4Å; L257-Q260 PolarHBondContact O-N 3.31Å; L257-T277 HydrophobicContact CD1-CG2 3.87Å; L257-T277 HydrophobicContact CD2-CG2 4.27Å
258	L	98.6	Very high	97.3	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	120.3	-178	174.5	67	0	0	0	110.7	P73 R133 A219 K255 Q260	P73-L258 HydrophobicContact CG-CB 4.12Å; R133-L258 HydrophobicContact CG-CD2 3.62Å; A219-L258 WeakPolarHBondContact O-CA 3.36Å; K255-L258 WeakPolarHBondContact O-CB 3.49Å; K255-L258 PolarHBondContact O-N 3.35Å; L258-Q260 PolarHBondContact O-N 3.27Å; L258-Q260 VanDerWaalsContact O-N 3.14Å
259	N	98.4	Very high	97	Very high	25 Å²	25	47 Å²	47	13%	0.134	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	14.8	-175.2	-53.5	-49.9	0	0	0	114.8	S69 H70 N71 A219 L257 N261 G295	S69-N259 PolarHBondContact O-ND2 3.11Å; H70-N259 VanDerWaalsContact CA-ND2 3.33Å; H70-N259 WeakPolarHBondContact CA-ND2 3.34Å; H70-N259 PolarHBondContact O-ND2 3Å; N71-N259 PolarHBondContact O-ND2 3.13Å; N71-N259 VanDerWaalsContact O-ND2 3.09Å; A219-N259 PolarHBondContact O-N 3.42Å; L257-N259 PolarHBondContact O-N 2.97Å; L257-N259 VanDerWaalsContact O-N 3.16Å; N259-N261 PolarHBondContact O-N 2.83Å; N259-G295 WeakPolarHBondContact OD1-CA 3.34Å; N259-G295 PolarHBondContact OD1-N 2.96Å
260	Q	97.5	Very high	96.8	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	25%	0.246	S	C	.	.	S	Bend	trans	-84.3	100.5	-173.3	-166.5	-172	47.9	0	0	112.1	L257 L258 C262	L257-Q260 WeakPolarHBondContact O-CB 3.4Å; L257-Q260 PolarHBondContact O-N 3.31Å; L258-Q260 PolarHBondContact O-N 3.27Å; L258-Q260 VanDerWaalsContact O-N 3.14Å; Q260-C262 PolarHBondContact O-N 2.88Å
261	N	96.6	Very high	96.6	Very high	77 Å²	77	50.5 Å²	50.5	41%	0.412	25%	0.251	S	S	.	.	S	Bend	trans	59	28.8	-175.6	-50.9	-67	0	0	0	113.6	N259 F266 K275	N259-N261 PolarHBondContact O-N 2.83Å; N261-F266 HydrophobicContact CB-CD2 4.43Å; N261-F266 HydrophobicContact CB-CE2 3.96Å; N261-F266 HydrophobicContact CB-CZ 4.15Å; N261-F266 WeakPolarHBondContact O-CD1 3.5Å; N261-F266 WeakPolarHBondContact O-CE1 3.46Å; N261-K275 HydrophobicContact CB-CB 3.92Å; N261-K275 HydrophobicContact CB-CD 4.49Å; N261-K275 PolarHBondContact O-N 2.83Å
262	C	97.5	Very high	96.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.014	25%	0.249	C	C	.	.			trans	-154.5	172	179.9	59.9	0	0	0	0	109.8	N249 Q260 F266 P274	N249-C262 VanDerWaalsContact ND2-CB 3.33Å; N249-C262 WeakPolarHBondContact ND2-CB 3.34Å; Q260-C262 PolarHBondContact O-N 2.88Å; C262-F266 WeakPolarHBondContact O-CB 3.44Å; C262-P274 HydrophobicContact CB-CB 3.82Å
263	G	98.2	Very high	96.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.01	26%	0.255	C	S	.	.	S	Bend	trans	90.5	164.5	-179.8	0	0	0	0	0	114.2	D217 D265 F266 V267 T292 I293	D217-G263 WeakPolarHBondContact OD2-CA 3.35Å; D217-G263 PolarHBondContact OD2-N 3.02Å; G263-D265 VanDerWaalsContact C-N 3.28Å; G263-D265 PolarHBondContact O-N 3.06Å; G263-F266 PolarHBondContact O-N 2.76Å; G263-F266 VanDerWaalsContact O-N 3.1Å; G263-V267 PolarHBondContact O-N 2.8Å; G263-T292 VanDerWaalsContact CA-OG1 3.23Å; G263-T292 WeakPolarHBondContact CA-OG1 3.35Å; G263-I293 VanDerWaalsContact CA-O 3.28Å; G263-I293 WeakPolarHBondContact CA-O 3.39Å
264	A	98.2	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-53.8	-42.3	-172.1	0	0	0	0	0	113.5	K268 T292 I293 D294 R299 I301	A264-K268 VanDerWaalsContact O-CB 3.24Å; A264-K268 WeakPolarHBondContact O-CB 3.42Å; A264-K268 PolarHBondContact O-N 2.93Å; A264-T292 HydrophobicContact CB-CG2 4.35Å; A264-T292 PolarHBondContact N-OG1 3.37Å; A264-T292 VanDerWaalsContact N-OG1 3.12Å; A264-I293 PolarHBondContact N-O 3.39Å; A264-D294 HydrophobicContact CB-CB 4.35Å; A264-R299 HydrophobicContact CB-CB 4.05Å; A264-I301 HydrophobicContact CB-CB 4.33Å; A264-I301 HydrophobicContact CB-CG1 3.99Å
265	D	96	Very high	95.9	Very high	39 Å²	39	46.3 Å²	46.3	21%	0.209	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-44.1	-179.9	-164.8	77.9	0	0	0	112.2	H70 G263 K268 I269 R299	H70-D265 HydrophobicContact CB-CB 3.7Å; H70-D265 IonicContact CD2-OD1 2.77Å; H70-D265 PolarHBondContact CD2-OD1 3.45Å; H70-D265 IonicContact CD2-OD2 3.54Å; H70-D265 PolarHBondContact CD2-OD2 3.19Å; H70-D265 IonicContact NE2-OD1 2.82Å; G263-D265 VanDerWaalsContact C-N 3.28Å; G263-D265 PolarHBondContact O-N 3.06Å; D265-K268 PolarHBondContact O-N 3.47Å; D265-I269 WeakPolarHBondContact O-CB 3.2Å; D265-I269 VanDerWaalsContact O-CG1 3.28Å; D265-I269 WeakPolarHBondContact O-CG1 3.17Å; D265-I269 PolarHBondContact O-N 3.1Å; D265-I269 WeakPolarHBondContact OD2-CD1 3.48Å; D265-R299 IonicContact OD1-NH1 2.87Å; D265-R299 PolarHBondContact OD1-NH1 3.1Å; D265-R299 VanDerWaalsContact OD1-NH1 3.1Å
266	F	96.7	Very high	95.8	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.184	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-50.6	176.7	171.4	-94.8	0	0	0	111.2	N261 C262 G263 K268 I269 T270 N272	N261-F266 HydrophobicContact CB-CD2 4.43Å; N261-F266 HydrophobicContact CB-CE2 3.96Å; N261-F266 HydrophobicContact CB-CZ 4.15Å; N261-F266 WeakPolarHBondContact O-CD1 3.5Å; N261-F266 WeakPolarHBondContact O-CE1 3.46Å; C262-F266 WeakPolarHBondContact O-CB 3.44Å; G263-F266 PolarHBondContact O-N 2.76Å; G263-F266 VanDerWaalsContact O-N 3.1Å; F266-K268 VanDerWaalsContact C-N 3.33Å; F266-K268 PolarHBondContact O-N 2.77Å; F266-I269 PolarHBondContact O-N 3.12Å; F266-T270 HydrophobicContact CD2-CG2 3.8Å; F266-T270 HydrophobicContact CE2-CG2 3.71Å; F266-T270 HydrophobicContact CG-CG2 4.46Å; F266-T270 HydrophobicContact CZ-CG2 4.28Å; F266-T270 WeakPolarHBondContact O-CB 3.37Å; F266-T270 WeakPolarHBondContact O-CG2 3.37Å; F266-T270 PolarHBondContact O-N 3.34Å; F266-T270 PolarHBondContact O-OG1 2.7Å; F266-N272 HydrophobicContact CE1-CB 4.27Å; F266-N272 HydrophobicContact CZ-CB 4.3Å
267	V	96.5	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-41.2	-177.8	179.5	0	0	0	0	110.2	G263 L271 P274 T292 F303 V337 L339	G263-V267 PolarHBondContact O-N 2.8Å; V267-L271 WeakPolarHBondContact O-CA 3.15Å; V267-L271 PolarHBondContact O-N 3.28Å; V267-P274 HydrophobicContact CG2-CB 4.33Å; V267-P274 HydrophobicContact CG2-CG 4.44Å; V267-T292 HydrophobicContact CB-CG2 4.06Å; V267-T292 HydrophobicContact CG1-CG2 4.36Å; V267-T292 HydrophobicContact CG2-CG2 4Å; V267-F303 HydrophobicContact CG1-CB 4.36Å; V267-F303 HydrophobicContact CG1-CD1 3.76Å; V267-F303 HydrophobicContact CG1-CE1 4.17Å; V267-F303 HydrophobicContact CG1-CG 4.03Å; V267-F303 HydrophobicContact CG2-CE1 4.31Å; V267-V337 HydrophobicContact CG1-CG2 3.83Å; V267-L339 HydrophobicContact CG1-CD2 3.81Å
268	K	94.6	Very high	95.3	Very high	49 Å²	49	44.6 Å²	44.6	21%	0.213	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-45.4	177.1	176.8	59.8	-177.9	178.5	0	112.9	A264 D265 F266 L339 D341 A417	A264-K268 VanDerWaalsContact O-CB 3.24Å; A264-K268 WeakPolarHBondContact O-CB 3.42Å; A264-K268 PolarHBondContact O-N 2.93Å; D265-K268 PolarHBondContact O-N 3.47Å; F266-K268 VanDerWaalsContact C-N 3.33Å; F266-K268 PolarHBondContact O-N 2.77Å; K268-L339 HydrophobicContact CD-CD1 3.62Å; K268-D341 IonicContact NZ-OD2 2.72Å; K268-D341 PolarHBondContact NZ-OD2 3.39Å; K268-A417 WeakPolarHBondContact CD-O 3.43Å; K268-A417 WeakPolarHBondContact CE-O 3.44Å; K268-A417 PolarHBondContact NZ-O 3.4Å
269	I	91.8	Very high	94.7	Very high	117 Å²	117	49.4 Å²	49.4	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-77.2	-41.1	-174.1	-69	174.8	0	0	0	111.5	D265 F266	D265-I269 WeakPolarHBondContact O-CB 3.2Å; D265-I269 VanDerWaalsContact O-CG1 3.28Å; D265-I269 WeakPolarHBondContact O-CG1 3.17Å; D265-I269 PolarHBondContact O-N 3.1Å; D265-I269 WeakPolarHBondContact OD2-CD1 3.48Å; F266-I269 PolarHBondContact O-N 3.12Å
270	T	93.2	Very high	93.7	Very high	50 Å²	50	51 Å²	51	31%	0.307	28%	0.276	S	S	.	.	H	α-helix	trans	-91.6	-17	-172.4	67.3	0	0	0	0	113.5	F266 N272	F266-T270 HydrophobicContact CD2-CG2 3.8Å; F266-T270 HydrophobicContact CE2-CG2 3.71Å; F266-T270 HydrophobicContact CG-CG2 4.46Å; F266-T270 HydrophobicContact CZ-CG2 4.28Å; F266-T270 WeakPolarHBondContact O-CB 3.37Å; F266-T270 WeakPolarHBondContact O-CG2 3.37Å; F266-T270 PolarHBondContact O-N 3.34Å; F266-T270 PolarHBondContact O-OG1 2.7Å; T270-N272 PolarHBondContact O-N 2.64Å; T270-N272 WeakPolarHBondContact OG1-CB 3.14Å; T270-N272 PolarHBondContact OG1-N 3.44Å
271	L	92.9	Very high	92.2	Very high	90 Å²	90	56.1 Å²	56.1	47%	0.471	30%	0.3	S	S	.	.			trans	54.3	26	-168.7	-57.1	175.6	0	0	0	112.6	V267 Q336 V337 L339	V267-L271 WeakPolarHBondContact O-CA 3.15Å; V267-L271 PolarHBondContact O-N 3.28Å; L271-Q336 CarbonylContact O-C 3.59Å; L271-Q336 VanDerWaalsContact O-CA 3.29Å; L271-Q336 WeakPolarHBondContact O-CA 3.24Å; L271-V337 PolarHBondContact O-N 3.39Å; L271-L339 HydrophobicContact CD2-CD1 3.25Å; L271-L339 HydrophobicContact CD2-CG 3.68Å
272	N	93.9	Very high	90.7	Very high	57 Å²	57	60 Å²	60	31%	0.305	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-110.6	153.4	179	-66	-34.2	0	0	0	112.2	F266 T270 Q335	F266-N272 HydrophobicContact CE1-CB 4.27Å; F266-N272 HydrophobicContact CZ-CB 4.3Å; T270-N272 PolarHBondContact O-N 2.64Å; T270-N272 WeakPolarHBondContact OG1-CB 3.14Å; T270-N272 PolarHBondContact OG1-N 3.44Å; N272-Q335 CarbonylContact C-O 3.58Å; N272-Q335 WeakPolarHBondContact CA-O 3.1Å; N272-Q335 WeakPolarHBondContact CB-O 3.27Å; N272-Q335 VanDerWaalsContact CG-O 3.3Å; N272-Q335 PolarHBondContact OD1-O 3.14Å
273	A	93.3	Very high	89.1	Confident	22 Å²	22	63.7 Å²	63.7	18%	0.182	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-66.9	145	173.4	0	0	0	0	0	109.7	A334 Q335 V337	A273-A334 WeakPolarHBondContact CB-O 3.43Å; A273-Q335 PolarHBondContact N-O 3.14Å; A273-V337 HydrophobicContact CB-CG1 3.83Å
274	P	95.2	Very high	87.8	Confident	10 Å²	10	65.4 Å²	65.4	7%	0.065	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-63.2	141.7	179.2	28.2	-34.7	0	0	0	110.4	D217 C262 V267 L276 F303	D217-P274 HydrophobicContact CB-CB 4.32Å; D217-P274 HydrophobicContact CB-CG 3.88Å; D217-P274 WeakPolarHBondContact OD2-CB 3.32Å; C262-P274 HydrophobicContact CB-CB 3.82Å; V267-P274 HydrophobicContact CG2-CB 4.33Å; V267-P274 HydrophobicContact CG2-CG 4.44Å; P274-L276 PolarHBondContact O-N 3.13Å; P274-F303 HydrophobicContact CG-CZ 3.92Å
275	K	93.9	Very high	86.1	Confident	115 Å²	115	72.3 Å²	72.3	50%	0.5	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-66.6	121.4	169.2	-177.5	-174.3	173.5	-168.9	0	108.2	N249 N261	N249-K275 PolarHBondContact ND2-O 3.44Å; N249-K275 PolarHBondContact OD1-O 3.19Å; N261-K275 HydrophobicContact CB-CB 3.92Å; N261-K275 HydrophobicContact CB-CD 4.49Å; N261-K275 PolarHBondContact O-N 2.83Å
276	L	94	Very high	85.2	Confident	33 Å²	33	74.1 Å²	74.1	17%	0.173	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-81.6	126.6	176.2	-55.1	-175.2	0	0	0	110.4	Y248 N249 P274 P278 P279 N280 W290	Y248-L276 HydrophobicContact CD1-CD1 4.2Å; Y248-L276 HydrophobicContact CD1-CD2 4.23Å; Y248-L276 HydrophobicContact CE1-CD1 4.42Å; Y248-L276 HydrophobicContact CG-CD2 4.24Å; N249-L276 WeakPolarHBondContact OD1-CA 3.33Å; P274-L276 PolarHBondContact O-N 3.13Å; L276-P278 CarbonylContact C-O 3.42Å; L276-P278 CarbonylContact O-C 3.46Å; L276-P279 WeakPolarHBondContact O-CA 3.37Å; L276-N280 HydrophobicContact CD1-CB 3.82Å; L276-W290 HydrophobicContact CD1-CH2 4.34Å; L276-W290 HydrophobicContact CD2-CH2 4.07Å; L276-W290 HydrophobicContact CD2-CZ3 4.2Å
277	T	93.1	Very high	84.4	Confident	28 Å²	28	73.1 Å²	73.1	17%	0.172	39%	0.386	C	S	.	.	S	Bend	trans	-129.5	116.9	174.9	-51.8	0	0	0	0	110	H220 N249 L257	H220-T277 PolarHBondContact CE1-O 3.42Å; N249-T277 PolarHBondContact OD1-N 2.99Å; L257-T277 HydrophobicContact CD1-CG2 3.87Å; L257-T277 HydrophobicContact CD2-CG2 4.27Å
278	P	91	Very high	83.8	Confident	90 Å²	90	77.4 Å²	77.4	58%	0.584	41%	0.409	S	S	*	.	S	Bend	cis	-64.6	158.4	-5	31.1	-35.7	0	0	0	111.4	E251 L276 N280	E251-P278 WeakPolarHBondContact OE1-CD 3.46Å; L276-P278 CarbonylContact C-O 3.42Å; L276-P278 CarbonylContact O-C 3.46Å; P278-N280 PolarHBondContact O-N 3.04Å
279	P	86.6	Confident	83.7	Confident	104 Å²	104	77.8 Å²	77.8	68%	0.675	41%	0.409	S	S	*	.			trans	-54.7	134.1	173.4	-23.8	33.8	0	0	0	110.6	L276 E281	L276-P279 WeakPolarHBondContact O-CA 3.37Å; P279-E281 PolarHBondContact O-N 3.46Å
280	N	77	Confident	83.9	Confident	58 Å²	58	72.5 Å²	72.5	31%	0.31	38%	0.381	S	S	.	.			trans	-80.7	109	175.9	-172.9	15.6	0	0	0	109.7	Y248 L276 P278 Q282	Y248-N280 HydrophobicContact CE1-CB 4.43Å; L276-N280 HydrophobicContact CD1-CB 3.82Å; P278-N280 PolarHBondContact O-N 3.04Å; N280-Q282 VanDerWaalsContact C-N 3.3Å; N280-Q282 PolarHBondContact ND2-O 2.82Å; N280-Q282 VanDerWaalsContact ND2-O 3.11Å; N280-Q282 PolarHBondContact OD1-N 3.28Å; N280-Q282 VanDerWaalsContact OD1-N 3.13Å; N280-Q282 PolarHBondContact OD1-O 3.49Å
281	E	65.2	Low	84.2	Confident	195 Å²	195	70.1 Å²	70.1	91%	0.911	37%	0.367	S	S	*	.			trans	-75.3	-21.1	175.8	-64.6	-175.8	176	0	0	112.5	P279	P279-E281 PolarHBondContact O-N 3.46Å
282	Q	65.2	Low	84.4	Confident	159 Å²	159	65.9 Å²	65.9	74%	0.743	34%	0.344	S	S	*	.	S	Bend	trans	-87.2	143.3	-179.2	-63.2	-178.5	7.8	0	0	111.4	N280 I284	N280-Q282 VanDerWaalsContact C-N 3.3Å; N280-Q282 PolarHBondContact ND2-O 2.82Å; N280-Q282 VanDerWaalsContact ND2-O 3.11Å; N280-Q282 PolarHBondContact OD1-N 3.28Å; N280-Q282 VanDerWaalsContact OD1-N 3.13Å; N280-Q282 PolarHBondContact OD1-O 3.49Å; Q282-I284 PolarHBondContact O-N 3.23Å
283	S	65.6	Low	84.7	Confident	78 Å²	78	63.1 Å²	63.1	55%	0.545	33%	0.33	S	S	.	.			trans	-58.4	120.3	169.2	-58.3	0	0	0	0	109.7	M285	S283-M285 PolarHBondContact O-N 3.09Å; S283-M285 VanDerWaalsContact O-N 3.12Å
284	I	69.5	Low	84.9	Confident	37 Å²	37	62.1 Å²	62.1	19%	0.19	32%	0.321	C	S	.	.			trans	-62	114.8	172.6	-63	148.6	0	0	0	107.3	Q282 Y286 W290	Q282-I284 PolarHBondContact O-N 3.23Å; I284-Y286 PolarHBondContact O-N 3.32Å; I284-W290 HydrophobicContact CD1-CH2 4.39Å; I284-W290 HydrophobicContact CD1-CZ2 3.67Å; I284-W290 HydrophobicContact CG1-CZ2 4.31Å; I284-W290 HydrophobicContact CG2-CZ2 4.31Å
285	M	63.3	Low	85.1	Confident	146 Å²	146	61.6 Å²	61.6	72%	0.719	32%	0.318	S	S	*	.	S	Bend	trans	-64.7	-22.8	-178.2	-74.3	-174.8	64.8	0	0	113.6	S283 P287	S283-M285 PolarHBondContact O-N 3.09Å; S283-M285 VanDerWaalsContact O-N 3.12Å; M285-P287 WeakPolarHBondContact O-CD 3.44Å
286	Y	77.7	Confident	85.3	Confident	76 Å²	76	56.1 Å²	56.1	30%	0.298	29%	0.294	S	S	.	.	S	Bend	trans	-126.6	64.5	-175.3	-55.5	-81.1	0	0	0	110.3	H213 N215 I284 D288	H213-Y286 HydrophobicContact CB-CD1 3.74Å; H213-Y286 HydrophobicContact CB-CD2 3.61Å; H213-Y286 HydrophobicContact CB-CE1 3.86Å; H213-Y286 HydrophobicContact CB-CE2 3.78Å; H213-Y286 HydrophobicContact CB-CG 3.61Å; H213-Y286 AromaticContact CD2-CE1 3.93Å; H213-Y286 AromaticContact CD2-CZ 3.74Å; H213-Y286 AromaticContact CE1-CE2 3.66Å; H213-Y286 AromaticContact CE1-CZ 3.46Å; H213-Y286 VanDerWaalsContact CE1-CZ 3.46Å; H213-Y286 PolarHBondContact CE1-OH 3.5Å; H213-Y286 AromaticContact CG-CD2 3.89Å; H213-Y286 AromaticContact CG-CE1 3.72Å; H213-Y286 AromaticContact CG-CE2 3.49Å; H213-Y286 VanDerWaalsContact CG-CE2 3.49Å; H213-Y286 AromaticContact CG-CZ 3.38Å; H213-Y286 AromaticContact ND1-CD2 3.73Å; H213-Y286 AromaticContact ND1-CE2 3.03Å; H213-Y286 WeakPolarHBondContact ND1-CE2 3.38Å; H213-Y286 AromaticContact ND1-CZ 3.2Å; H213-Y286 PolarHBondContact ND1-OH 3.32Å; H213-Y286 AromaticContact NE2-CZ 3.8Å; H213-Y286 PolarHBondContact NE2-OH 2.89Å; N215-Y286 PolarHBondContact ND2-O 3.13Å; I284-Y286 PolarHBondContact O-N 3.32Å; Y286-D288 PolarHBondContact O-N 2.9Å; Y286-D288 VanDerWaalsContact O-N 3.17Å
287	P	79	Confident	85.5	Confident	22 Å²	22	54.6 Å²	54.6	14%	0.143	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.7	-164.5	26.5	-35.8	0	0	0	113.6	M285 W290 P305 F307	M285-P287 WeakPolarHBondContact O-CD 3.44Å; P287-W290 VanDerWaalsContact O-CD1 3.25Å; P287-W290 PolarHBondContact O-NE1 3.3Å; P287-P305 WeakPolarHBondContact O-CD 3.3Å; P287-P305 WeakPolarHBondContact O-CG 3.47Å; P287-F307 HydrophobicContact CB-CE2 3.69Å; P287-F307 HydrophobicContact CB-CZ 3.67Å
288	D	84.5	Confident	85.8	Confident	89 Å²	89	53.4 Å²	53.4	48%	0.476	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.9	-169.9	-58.7	-33.9	0	0	0	115	Y286 R304 F474	Y286-D288 PolarHBondContact O-N 2.9Å; Y286-D288 VanDerWaalsContact O-N 3.17Å; D288-R304 WeakPolarHBondContact O-CB 3.5Å; D288-F474 WeakPolarHBondContact O-CD1 3.49Å
289	R	91.8	Very high	86.1	Confident	57 Å²	57	50.5 Å²	50.5	22%	0.215	26%	0.256	C	S	.	.			trans	-118.8	98.6	-170.8	-157.2	-175.4	-67.9	-138.9	-5.4	112.4	H213 L214 N215 E464 F474	H213-R289 WeakPolarHBondContact O-CD 2.97Å; L214-R289 HydrophobicContact CD1-CG 3.77Å; N215-R289 WeakPolarHBondContact CB-O 3.36Å; N215-R289 PolarHBondContact N-O 3.44Å; N215-R289 VanDerWaalsContact N-O 3.13Å; N215-R289 PolarHBondContact ND2-O 2.92Å; R289-E464 IonicContact CZ-OE2 2.71Å; R289-E464 IonicContact NH1-OE1 3.36Å; R289-E464 IonicContact NH1-OE2 3.82Å; R289-E464 PolarHBondContact NH1-OE2 2.84Å; R289-F474 HydrophobicContact CB-CE1 4.35Å; R289-F474 HydrophobicContact CB-CZ 4.38Å; R289-F474 HydrophobicContact CG-CD1 4.1Å; R289-F474 HydrophobicContact CG-CD2 3.96Å; R289-F474 HydrophobicContact CG-CE1 3.57Å; R289-F474 HydrophobicContact CG-CE2 3.41Å; R289-F474 VanDerWaalsContact CG-CE2 3.41Å; R289-F474 HydrophobicContact CG-CG 4.28Å; R289-F474 HydrophobicContact CG-CZ 3.18Å
290	W	96.7	Very high	86.7	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.4	178.9	-70.7	75.4	0	0	0	112.5	N215 Y248 L276 I284 P287 Y302 F303	N215-W290 HydrophobicContact CB-CD2 3.48Å; N215-W290 VanDerWaalsContact CB-CD2 3.48Å; N215-W290 HydrophobicContact CB-CE3 3.62Å; N215-W290 HydrophobicContact CB-CG 4.02Å; N215-W290 HydrophobicContact CB-CH2 3.91Å; N215-W290 HydrophobicContact CB-CZ2 3.76Å; N215-W290 HydrophobicContact CB-CZ3 3.85Å; N215-W290 PolarHBondContact ND2-NE1 2.98Å; N215-W290 WeakPolarHBondContact O-CA 3.5Å; Y248-W290 HydrophobicContact CD1-CH2 4.45Å; Y248-W290 AromaticContact CD2-CH2 3.58Å; Y248-W290 HydrophobicContact CD2-CH2 3.58Å; Y248-W290 AromaticContact CD2-CZ3 3.63Å; Y248-W290 HydrophobicContact CD2-CZ3 3.63Å; Y248-W290 AromaticContact CE2-CH2 3.68Å; Y248-W290 HydrophobicContact CE2-CH2 3.68Å; Y248-W290 HydrophobicContact CE2-CZ2 4.34Å; Y248-W290 HydrophobicContact CE2-CZ3 4.14Å; Y248-W290 HydrophobicContact CG-CH2 4Å; Y248-W290 HydrophobicContact CG-CZ3 4.09Å; L276-W290 HydrophobicContact CD1-CH2 4.34Å; L276-W290 HydrophobicContact CD2-CH2 4.07Å; L276-W290 HydrophobicContact CD2-CZ3 4.2Å; I284-W290 HydrophobicContact CD1-CH2 4.39Å; I284-W290 HydrophobicContact CD1-CZ2 3.67Å; I284-W290 HydrophobicContact CG1-CZ2 4.31Å; I284-W290 HydrophobicContact CG2-CZ2 4.31Å; P287-W290 VanDerWaalsContact O-CD1 3.25Å; P287-W290 PolarHBondContact O-NE1 3.3Å; W290-Y302 CarbonylContact O-C 3.57Å; W290-Y302 VanDerWaalsContact O-CA 3.22Å; W290-Y302 WeakPolarHBondContact O-CA 3.22Å; W290-Y302 WeakPolarHBondContact O-CD1 3.38Å; W290-F303 HydrophobicContact CB-CD1 3.79Å; W290-F303 HydrophobicContact CB-CD2 3.89Å; W290-F303 HydrophobicContact CB-CE1 3.45Å; W290-F303 VanDerWaalsContact CB-CE1 3.45Å; W290-F303 HydrophobicContact CB-CE2 3.57Å; W290-F303 HydrophobicContact CB-CG 4Å; W290-F303 HydrophobicContact CB-CZ 3.34Å; W290-F303 WeakPolarHBondContact CB-O 3.44Å; W290-F303 HydrophobicContact CD2-CE2 4.03Å; W290-F303 AromaticContact CD2-CZ 3.72Å; W290-F303 HydrophobicContact CD2-CZ 3.72Å; W290-F303 HydrophobicContact CE3-CE1 4.42Å; W290-F303 HydrophobicContact CE3-CE2 4.46Å; W290-F303 AromaticContact CE3-CZ 3.73Å; W290-F303 HydrophobicContact CE3-CZ 3.73Å; W290-F303 HydrophobicContact CG-CD2 4.27Å; W290-F303 HydrophobicContact CG-CE1 4.2Å; W290-F303 AromaticContact CG-CE2 3.62Å; W290-F303 HydrophobicContact CG-CE2 3.62Å; W290-F303 AromaticContact CG-CZ 3.57Å; W290-F303 HydrophobicContact CG-CZ 3.57Å; W290-F303 PolarHBondContact N-O 3.43Å; W290-F303 PolarHBondContact O-N 3.13Å
291	A	98.5	Very high	87.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148.8	156.5	0	0	0	0	0	108.7	L214 N215 V216 D217 L300 I301 Y302 I460	L214-A291 HydrophobicContact CD1-CB 4.1Å; L214-A291 HydrophobicContact CD2-CB 4.08Å; L214-A291 HydrophobicContact CG-CB 4.36Å; N215-A291 PolarHBondContact O-N 2.88Å; V216-A291 WeakPolarHBondContact CA-O 3.38Å; V216-A291 HydrophobicContact CG1-CB 4.36Å; V216-A291 HydrophobicContact CG2-CB 4.42Å; D217-A291 PolarHBondContact N-O 2.72Å; A291-L300 HydrophobicContact CB-CD1 4.01Å; A291-I301 CarbonylContact C-O 3.6Å; A291-I301 WeakPolarHBondContact CA-O 3.24Å; A291-Y302 HydrophobicContact CB-CD1 4.01Å; A291-Y302 HydrophobicContact CB-CE1 3.71Å; A291-Y302 HydrophobicContact CB-CE2 4.48Å; A291-I460 HydrophobicContact CB-CD1 4.02Å; A291-I460 HydrophobicContact CB-CG1 4.07Å
292	T	98.6	Very high	89.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.7	168.7	178	0	0	0	0	108.8	D217 G263 A264 V267 I301 F303	D217-T292 WeakPolarHBondContact O-CA 3.34Å; D217-T292 PolarHBondContact OD2-OG1 2.86Å; G263-T292 VanDerWaalsContact CA-OG1 3.23Å; G263-T292 WeakPolarHBondContact CA-OG1 3.35Å; A264-T292 HydrophobicContact CB-CG2 4.35Å; A264-T292 PolarHBondContact N-OG1 3.37Å; A264-T292 VanDerWaalsContact N-OG1 3.12Å; V267-T292 HydrophobicContact CB-CG2 4.06Å; V267-T292 HydrophobicContact CG1-CG2 4.36Å; V267-T292 HydrophobicContact CG2-CG2 4Å; T292-I301 HydrophobicContact CG2-CB 3.81Å; T292-I301 HydrophobicContact CG2-CG2 4.14Å; T292-I301 WeakPolarHBondContact CG2-O 3.4Å; T292-I301 PolarHBondContact N-O 3.34Å; T292-I301 PolarHBondContact O-N 2.73Å; T292-F303 HydrophobicContact CG2-CD1 3.88Å; T292-F303 HydrophobicContact CG2-CE1 3.82Å
293	I	98.8	Very high	90.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.8	179.2	63.7	173.9	0	0	0	109	D217 A219 L227 G263 A264 A297 R299 L300 A456 I460	D217-I293 PolarHBondContact O-N 3.28Å; A219-I293 WeakPolarHBondContact CB-O 3.42Å; L227-I293 HydrophobicContact CD1-CD1 3.77Å; G263-I293 VanDerWaalsContact CA-O 3.28Å; G263-I293 WeakPolarHBondContact CA-O 3.39Å; A264-I293 PolarHBondContact N-O 3.39Å; I293-A297 HydrophobicContact CD1-CB 3.99Å; I293-R299 WeakPolarHBondContact CA-O 3.28Å; I293-L300 HydrophobicContact CG2-CD1 4.06Å; I293-A456 HydrophobicContact CB-CB 4.14Å; I293-A456 HydrophobicContact CG2-CB 3.56Å; I293-I460 HydrophobicContact CG2-CD1 4.06Å
294	D	98.4	Very high	92	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.			trans	-88.6	178.1	173.9	74	-34	0	0	0	112.5	S69 H70 A264 D296 A297 D298 R299	S69-D294 PolarHBondContact OG-OD2 3.43Å; H70-D294 HydrophobicContact CB-CB 4.1Å; H70-D294 PolarHBondContact N-OD2 3.08Å; A264-D294 HydrophobicContact CB-CB 4.35Å; D294-D296 PolarHBondContact O-N 2.95Å; D294-D296 VanDerWaalsContact O-N 3.09Å; D294-A297 PolarHBondContact O-N 2.93Å; D294-A297 WeakPolarHBondContact OD1-CA 3.23Å; D294-A297 PolarHBondContact OD1-N 3.49Å; D294-D298 PolarHBondContact OD1-N 3.08Å; D294-R299 HydrophobicContact CB-CB 4.36Å; D294-R299 PolarHBondContact OD1-N 3.22Å; D294-R299 IonicContact OD2-NE 2.58Å
295	G	98.5	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.9	-169	0	0	0	0	0	116	G221 V222 N259	G221-G295 CarbonylContact C-O 3.57Å; G221-G295 VanDerWaalsContact CA-O 3.28Å; G221-G295 WeakPolarHBondContact CA-O 3.34Å; V222-G295 PolarHBondContact N-O 3.4Å; N259-G295 WeakPolarHBondContact OD1-CA 3.34Å; N259-G295 PolarHBondContact OD1-N 2.96Å
296	D	98.5	Very high	94.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	5	177.4	71.8	-20.3	0	0	0	114.6	T67 S69 K79 T161 T162 D294	T67-D296 WeakPolarHBondContact CG2-OD2 3.28Å; T67-D296 WeakPolarHBondContact OG1-CB 3.46Å; T67-D296 PolarHBondContact OG1-OD2 2.99Å; S69-D296 VanDerWaalsContact CA-CG 3.44Å; S69-D296 VanDerWaalsContact CA-OD1 3.27Å; S69-D296 WeakPolarHBondContact CA-OD1 3.43Å; S69-D296 WeakPolarHBondContact CB-OD1 3.17Å; K79-D296 IonicContact NZ-OD2 3.17Å; T161-D296 VanDerWaalsContact CB-O 3.29Å; T161-D296 WeakPolarHBondContact CB-O 3.34Å; T162-D296 WeakPolarHBondContact CB-OD2 3.35Å; T162-D296 PolarHBondContact N-O 3.18Å; T162-D296 VanDerWaalsContact N-O 3.13Å; T162-D296 WeakPolarHBondContact OG1-CB 3.43Å; T162-D296 VanDerWaalsContact OG1-CG 3.28Å; T162-D296 PolarHBondContact OG1-OD2 2.77Å; D294-D296 PolarHBondContact O-N 2.95Å; D294-D296 VanDerWaalsContact O-N 3.09Å
297	A	98.7	Very high	94.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	61.7	33.9	177.7	0	0	0	0	0	115.1	T161 I293 D294 A456 I457	T161-A297 HydrophobicContact CG2-CB 3.69Å; I293-A297 HydrophobicContact CD1-CB 3.99Å; D294-A297 PolarHBondContact O-N 2.93Å; D294-A297 WeakPolarHBondContact OD1-CA 3.23Å; D294-A297 PolarHBondContact OD1-N 3.49Å; A297-A456 HydrophobicContact CB-CB 4.37Å; A297-A456 VanDerWaalsContact O-CB 3.24Å; A297-A456 WeakPolarHBondContact O-CB 3.43Å; A297-A456 PolarHBondContact O-N 3.02Å; A297-A456 VanDerWaalsContact O-N 3.08Å; A297-I457 HydrophobicContact CB-CG1 4.42Å
298	D	98	Very high	93.5	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	11%	0.107	C	C	.	.			trans	-92.6	-5.7	172.8	80.2	5.6	0	0	0	113.7	K79 D294	K79-D298 IonicContact NZ-OD2 3.39Å; K79-D298 PolarHBondContact NZ-OD2 3.02Å; D294-D298 PolarHBondContact OD1-N 3.08Å
299	R	98.3	Very high	92.1	Very high	29 Å²	29	24.3 Å²	24.3	11%	0.109	11%	0.114	C	C	.	.			trans	-124.3	138.8	175.3	-65.7	168.1	-165.7	-170.5	0.2	112.9	H70 A264 D265 I293 D294 G419 H420 A456	H70-R299 PolarHBondContact CE1-NH1 2.84Å; H70-R299 PolarHBondContact CE1-NH2 3.39Å; H70-R299 VanDerWaalsContact CG-NH1 3.29Å; H70-R299 VanDerWaalsContact ND1-CZ 3.31Å; H70-R299 PolarHBondContact ND1-NH1 3.42Å; H70-R299 VanDerWaalsContact ND1-NH1 3.19Å; H70-R299 PolarHBondContact ND1-NH2 3.45Å; A264-R299 HydrophobicContact CB-CB 4.05Å; D265-R299 IonicContact OD1-NH1 2.87Å; D265-R299 PolarHBondContact OD1-NH1 3.1Å; D265-R299 VanDerWaalsContact OD1-NH1 3.1Å; I293-R299 WeakPolarHBondContact CA-O 3.28Å; D294-R299 HydrophobicContact CB-CB 4.36Å; D294-R299 PolarHBondContact OD1-N 3.22Å; D294-R299 IonicContact OD2-NE 2.58Å; R299-G419 WeakPolarHBondContact CA-O 3.36Å; R299-H420 HydrophobicContact CG-CB 4.06Å; R299-A456 VanDerWaalsContact O-CB 3.27Å; R299-A456 WeakPolarHBondContact O-CB 3.28Å
300	L	98.8	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.8	172.7	-179.2	57.9	0	0	0	111.6	A291 I293 Y302 I345 G419 A456 D459 I460	A291-L300 HydrophobicContact CB-CD1 4.01Å; I293-L300 HydrophobicContact CG2-CD1 4.06Å; L300-Y302 HydrophobicContact CD1-CD2 4.26Å; L300-Y302 HydrophobicContact CD1-CE2 3.98Å; L300-Y302 HydrophobicContact CD2-CD2 4.3Å; L300-Y302 HydrophobicContact CD2-CE2 3.66Å; L300-Y302 HydrophobicContact CG-CD2 4.12Å; L300-Y302 HydrophobicContact CG-CE2 3.91Å; L300-I345 HydrophobicContact CB-CD1 4.4Å; L300-I345 HydrophobicContact CD2-CD1 4.31Å; L300-I345 HydrophobicContact CG-CD1 4.15Å; L300-G419 PolarHBondContact N-O 3.44Å; L300-G419 WeakPolarHBondContact O-CA 3.47Å; L300-A456 HydrophobicContact CB-CB 3.87Å; L300-D459 HydrophobicContact CD2-CB 3.45Å; L300-D459 VanDerWaalsContact CD2-CB 3.45Å; L300-I460 HydrophobicContact CD1-CD1 4.01Å; L300-I460 HydrophobicContact CD1-CG1 3.59Å; L300-I460 HydrophobicContact CD2-CG1 3.88Å; L300-I460 HydrophobicContact CG-CG1 4.41Å
301	I	98.3	Very high	86.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.4	167.9	-64.6	-68.9	0	0	0	108.2	A264 A291 T292 L339 D341	A264-I301 HydrophobicContact CB-CB 4.33Å; A264-I301 HydrophobicContact CB-CG1 3.99Å; A291-I301 CarbonylContact C-O 3.6Å; A291-I301 WeakPolarHBondContact CA-O 3.24Å; T292-I301 HydrophobicContact CG2-CB 3.81Å; T292-I301 HydrophobicContact CG2-CG2 4.14Å; T292-I301 WeakPolarHBondContact CG2-O 3.4Å; T292-I301 PolarHBondContact N-O 3.34Å; T292-I301 PolarHBondContact O-N 2.73Å; I301-L339 HydrophobicContact CG2-CD2 3.84Å; I301-D341 HydrophobicContact CD1-CB 3.66Å
302	Y	98.3	Very high	83.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	154	165.3	-79.9	-94	0	0	0	110.3	L214 W290 A291 L300 L340 I460 V463 E464 F474 W477	L214-Y302 HydrophobicContact CD1-CD1 4.45Å; L214-Y302 HydrophobicContact CD1-CE1 3.77Å; L214-Y302 HydrophobicContact CD2-CE1 4.33Å; W290-Y302 CarbonylContact O-C 3.57Å; W290-Y302 VanDerWaalsContact O-CA 3.22Å; W290-Y302 WeakPolarHBondContact O-CA 3.22Å; W290-Y302 WeakPolarHBondContact O-CD1 3.38Å; A291-Y302 HydrophobicContact CB-CD1 4.01Å; A291-Y302 HydrophobicContact CB-CE1 3.71Å; A291-Y302 HydrophobicContact CB-CE2 4.48Å; L300-Y302 HydrophobicContact CD1-CD2 4.26Å; L300-Y302 HydrophobicContact CD1-CE2 3.98Å; L300-Y302 HydrophobicContact CD2-CD2 4.3Å; L300-Y302 HydrophobicContact CD2-CE2 3.66Å; L300-Y302 HydrophobicContact CG-CD2 4.12Å; L300-Y302 HydrophobicContact CG-CE2 3.91Å; Y302-L340 PolarHBondContact N-O 3.37Å; Y302-L340 CarbonylContact O-C 3.59Å; Y302-L340 WeakPolarHBondContact O-CA 3.35Å; Y302-L340 PolarHBondContact O-N 3.01Å; Y302-I460 WeakPolarHBondContact OH-CA 3.19Å; Y302-I460 PolarHBondContact OH-O 3.49Å; Y302-V463 HydrophobicContact CD2-CG1 4.3Å; Y302-V463 HydrophobicContact CE1-CG1 4.32Å; Y302-V463 HydrophobicContact CE2-CB 3.84Å; Y302-V463 HydrophobicContact CE2-CG1 3.59Å; Y302-V463 HydrophobicContact CE2-CG2 3.88Å; Y302-E464 WeakPolarHBondContact CE1-OE1 3.43Å; Y302-E464 PolarHBondContact OH-OE1 2.75Å; Y302-F474 AromaticContact CD1-CE1 3.58Å; Y302-F474 HydrophobicContact CD1-CE1 3.58Å; Y302-F474 HydrophobicContact CD1-CE2 4.38Å; Y302-F474 AromaticContact CD1-CZ 3.23Å; Y302-F474 HydrophobicContact CD1-CZ 3.23Å; Y302-F474 HydrophobicContact CE1-CE1 4.36Å; Y302-F474 HydrophobicContact CE1-CE2 4.49Å; Y302-F474 AromaticContact CE1-CZ 3.58Å; Y302-F474 HydrophobicContact CE1-CZ 3.58Å; Y302-F474 HydrophobicContact CG-CE1 4.33Å; Y302-F474 HydrophobicContact CG-CZ 4.18Å; Y302-W477 HydrophobicContact CD1-CZ3 4.14Å; Y302-W477 AromaticContact CD2-CH2 3.6Å; Y302-W477 HydrophobicContact CD2-CH2 3.6Å; Y302-W477 AromaticContact CD2-CZ3 3.87Å; Y302-W477 HydrophobicContact CD2-CZ3 3.87Å; Y302-W477 HydrophobicContact CE2-CH2 4.27Å; Y302-W477 HydrophobicContact CE2-CZ3 4.44Å; Y302-W477 AromaticContact CG-CH2 3.8Å; Y302-W477 HydrophobicContact CG-CH2 3.8Å; Y302-W477 AromaticContact CG-CZ3 3.66Å; Y302-W477 HydrophobicContact CG-CZ3 3.66Å
303	F	96.1	Very high	80.8	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	163.6	173.7	67.4	-87.9	0	0	0	112.1	V267 P274 W290 T292 P305 V337 E338 L339	V267-F303 HydrophobicContact CG1-CB 4.36Å; V267-F303 HydrophobicContact CG1-CD1 3.76Å; V267-F303 HydrophobicContact CG1-CE1 4.17Å; V267-F303 HydrophobicContact CG1-CG 4.03Å; V267-F303 HydrophobicContact CG2-CE1 4.31Å; P274-F303 HydrophobicContact CG-CZ 3.92Å; W290-F303 HydrophobicContact CB-CD1 3.79Å; W290-F303 HydrophobicContact CB-CD2 3.89Å; W290-F303 HydrophobicContact CB-CE1 3.45Å; W290-F303 VanDerWaalsContact CB-CE1 3.45Å; W290-F303 HydrophobicContact CB-CE2 3.57Å; W290-F303 HydrophobicContact CB-CG 4Å; W290-F303 HydrophobicContact CB-CZ 3.34Å; W290-F303 WeakPolarHBondContact CB-O 3.44Å; W290-F303 HydrophobicContact CD2-CE2 4.03Å; W290-F303 AromaticContact CD2-CZ 3.72Å; W290-F303 HydrophobicContact CD2-CZ 3.72Å; W290-F303 HydrophobicContact CE3-CE1 4.42Å; W290-F303 HydrophobicContact CE3-CE2 4.46Å; W290-F303 AromaticContact CE3-CZ 3.73Å; W290-F303 HydrophobicContact CE3-CZ 3.73Å; W290-F303 HydrophobicContact CG-CD2 4.27Å; W290-F303 HydrophobicContact CG-CE1 4.2Å; W290-F303 AromaticContact CG-CE2 3.62Å; W290-F303 HydrophobicContact CG-CE2 3.62Å; W290-F303 AromaticContact CG-CZ 3.57Å; W290-F303 HydrophobicContact CG-CZ 3.57Å; W290-F303 PolarHBondContact N-O 3.43Å; W290-F303 PolarHBondContact O-N 3.13Å; T292-F303 HydrophobicContact CG2-CD1 3.88Å; T292-F303 HydrophobicContact CG2-CE1 3.82Å; F303-P305 HydrophobicContact CD2-CG 4.45Å; F303-P305 HydrophobicContact CE2-CG 4.15Å; F303-V337 HydrophobicContact CB-CB 4.03Å; F303-V337 HydrophobicContact CB-CG2 4.09Å; F303-V337 HydrophobicContact CD2-CB 3.76Å; F303-V337 HydrophobicContact CD2-CG1 3.36Å; F303-V337 HydrophobicContact CD2-CG2 4.39Å; F303-V337 HydrophobicContact CE2-CG1 3.78Å; F303-V337 HydrophobicContact CG-CB 4.2Å; F303-V337 HydrophobicContact CG-CG1 4.16Å; F303-V337 HydrophobicContact CG-CG2 4.41Å; F303-E338 CarbonylContact C-O 3.52Å; F303-E338 WeakPolarHBondContact CA-O 3.43Å; F303-E338 WeakPolarHBondContact CB-O 3.3Å; F303-L339 HydrophobicContact CB-CD2 4.24Å
304	R	92.7	Very high	77.7	Confident	60 Å²	60	51.1 Å²	51.1	23%	0.226	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.8	162.8	64.2	173.5	-179.1	166.4	4.2	110.2	D288 V337 E338	D288-R304 WeakPolarHBondContact O-CB 3.5Å; R304-V337 CarbonylContact O-C 3.58Å; R304-V337 VanDerWaalsContact O-CA 3.28Å; R304-V337 WeakPolarHBondContact O-CA 3.44Å; R304-V337 WeakPolarHBondContact O-CB 3.24Å; R304-E338 HydrophobicContact CG-CB 3.8Å; R304-E338 HydrophobicContact CG-CG 4.35Å; R304-E338 VanDerWaalsContact CZ-CD 3.44Å; R304-E338 IonicContact CZ-OE1 2.77Å; R304-E338 IonicContact CZ-OE2 3.68Å; R304-E338 PolarHBondContact N-O 3Å; R304-E338 IonicContact NE-OE1 3.95Å; R304-E338 PolarHBondContact NE-OE1 3.06Å; R304-E338 IonicContact NE-OE2 3.77Å; R304-E338 PolarHBondContact NE-OE2 3.34Å; R304-E338 IonicContact NH2-OE1 2.67Å; R304-E338 PolarHBondContact NH2-OE1 3.42Å; R304-E338 IonicContact NH2-OE2 2.77Å; R304-E338 PolarHBondContact NH2-OE2 2.81Å; R304-E338 PolarHBondContact O-N 3.47Å
305	P	90.5	Very high	74.5	Confident	12 Å²	12	54.6 Å²	54.6	8%	0.078	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.5	172.4	-14.7	27.9	0	0	0	111.8	P287 F303 F307 A334	P287-P305 WeakPolarHBondContact O-CD 3.3Å; P287-P305 WeakPolarHBondContact O-CG 3.47Å; F303-P305 HydrophobicContact CD2-CG 4.45Å; F303-P305 HydrophobicContact CE2-CG 4.15Å; P305-F307 HydrophobicContact CB-CE2 3.88Å; P305-F307 HydrophobicContact CB-CZ 3.86Å; P305-F307 HydrophobicContact CG-CE2 4.38Å; P305-F307 HydrophobicContact CG-CZ 4.24Å; P305-A334 HydrophobicContact CB-CB 3.55Å
306	I	87.3	Confident	71.3	Confident	58 Å²	58	62 Å²	62	30%	0.297	36%	0.355	S	S	.	.			trans	-94.3	108.9	171.3	-56.2	174.2	0	0	0	107.9	T308 Q336 E338	I306-T308 PolarHBondContact O-N 3.29Å; I306-Q336 HydrophobicContact CB-CB 4.5Å; I306-Q336 HydrophobicContact CD1-CB 4.23Å; I306-Q336 PolarHBondContact N-O 2.85Å; I306-E338 HydrophobicContact CD1-CG 3.69Å; I306-E338 HydrophobicContact CG1-CG 3.82Å
307	F	78.4	Confident	68.1	Low	72 Å²	72	68.3 Å²	68.3	32%	0.316	39%	0.389	S	S	.	.			trans	-83.7	111	174.5	-61	-82.5	0	0	0	109.7	P287 P305 A332 A334	P287-F307 HydrophobicContact CB-CE2 3.69Å; P287-F307 HydrophobicContact CB-CZ 3.67Å; P305-F307 HydrophobicContact CB-CE2 3.88Å; P305-F307 HydrophobicContact CB-CZ 3.86Å; P305-F307 HydrophobicContact CG-CE2 4.38Å; P305-F307 HydrophobicContact CG-CZ 4.24Å; F307-A332 HydrophobicContact CD1-CB 4.44Å; F307-A334 HydrophobicContact CD1-CB 3.95Å; F307-A334 HydrophobicContact CE1-CB 3.82Å; F307-A334 HydrophobicContact CZ-CB 4.36Å
308	T	64.2	Low	64.9	Low	79 Å²	79	73.9 Å²	73.9	49%	0.485	42%	0.419	S	S	.	.			trans	-82.2	120.1	165.7	50.3	0	0	0	0	108.3	I306 Y310	I306-T308 PolarHBondContact O-N 3.29Å; T308-Y310 PolarHBondContact O-N 3.45Å
309	H	53.9	Low	61.6	Low	131 Å²	131	84.2 Å²	84.2	61%	0.606	46%	0.457	S	S	*	.			trans	-68.1	105.2	167.5	-69.7	-50.7	0	0	0	108.2	S311	H309-S311 PolarHBondContact O-N 2.88Å; H309-S311 VanDerWaalsContact O-N 3.07Å
310	Y	40.5	Very low	58.3	Low	199 Å²	199	89.1 Å²	89.1	78%	0.78	49%	0.485	S	S	*	.			trans	-64.1	108	154.4	-90	-87.6	0	0	0	106.4	T308 P312	T308-Y310 PolarHBondContact O-N 3.45Å; Y310-P312 WeakPolarHBondContact O-CD 3.45Å
311	S	36.2	Very low	54.9	Low	110 Å²	110	95.2 Å²	95.2	77%	0.769	52%	0.518	S	S	*	.			trans	-78.3	104.9	160.4	-148.1	0	0	0	0	105.5	H309 S313	H309-S311 PolarHBondContact O-N 2.88Å; H309-S311 VanDerWaalsContact O-N 3.07Å; S311-S313 PolarHBondContact O-N 3.35Å
312	P	39.4	Very low	51.7	Low	94 Å²	94	102.9 Å²	102.9	61%	0.61	56%	0.559	S	S	*	*			trans	-60.8	117	171.3	24.2	-30.7	0	0	0	106.8	Y310 S314	Y310-P312 WeakPolarHBondContact O-CD 3.45Å; P312-S314 VanDerWaalsContact C-N 3.34Å; P312-S314 PolarHBondContact O-N 3.23Å; P312-S314 PolarHBondContact O-OG 3.07Å; P312-S314 VanDerWaalsContact O-OG 3.07Å
313	S	32.8	Very low	48.5	Very low	129 Å²	129	109.8 Å²	109.8	90%	0.902	60%	0.596	S	S	*	*			trans	-53.4	98.4	172.6	45	0	0	0	0	109.3	S311	S311-S313 PolarHBondContact O-N 3.35Å
314	S	34.7	Very low	45.3	Very low	96 Å²	96	116.9 Å²	116.9	67%	0.671	64%	0.639	S	S	*	*			trans	-143.7	118.8	171.5	44	0	0	0	0	104.4	P312	P312-S314 VanDerWaalsContact C-N 3.34Å; P312-S314 PolarHBondContact O-N 3.23Å; P312-S314 PolarHBondContact O-OG 3.07Å; P312-S314 VanDerWaalsContact O-OG 3.07Å
315	G	30.6	Very low	42.2	Very low	73 Å²	73	122.3 Å²	122.3	75%	0.753	66%	0.664	S	S	*	*				78.7	82.2	52.2	0	0	0	0	0	106.9
316	D	30.5	Very low	39.3	Very low	156 Å²	156	130.1 Å²	130.1	83%	0.834	70%	0.699	S	S	*	*			trans	60.7	127	166.6	-79.3	-24.9	0	0	0	121.6
317	D	32.6	Very low	36.8	Very low	131 Å²	131	133 Å²	133	70%	0.701	72%	0.715	S	S	*	*			trans	78.3	113.8	135.6	-91.3	-10.3	0	0	0	122.9
318	N	30.1	Very low	34.8	Very low	118 Å²	118	133.9 Å²	133.9	63%	0.631	72%	0.72	S	S	*	*				69.3	115.8	125.6	-79	-40.8	0	0	0	120.7
319	R	29.2	Very low	33.3	Very low	220 Å²	220	136.6 Å²	136.6	83%	0.83	73%	0.731	S	S	*	*			trans	87.1	135.4	132.4	-70.1	179.1	-177.1	-166.3	1	119.7
320	L	29.1	Very low	32.3	Very low	132 Å²	132	136.5 Å²	136.5	69%	0.691	74%	0.742	S	S	*	*			trans	100.7	117.5	145.7	-102.5	82.2	0	0	0	120.5
321	N	27.1	Very low	32.3	Very low	129 Å²	129	130.5 Å²	130.5	69%	0.69	74%	0.74	S	S	*	*			trans	77.8	121.8	136.2	-68.3	-4.6	0	0	0	122.3	D323	N321-D323 PolarHBondContact O-N 3.2Å
322	N	31.8	Very low	32.7	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	72%	0.724	S	S	*	*			trans	-64.2	107.6	162.9	-69	-27	0	0	0	109.8
323	D	30.6	Very low	33.3	Very low	146 Å²	146	128.4 Å²	128.4	78%	0.781	73%	0.726	S	S	*	*	S	Bend	trans	-152.8	146.1	146.8	-85.2	-41.6	0	0	0	105.7	N321 K325	N321-D323 PolarHBondContact O-N 3.2Å; D323-K325 PolarHBondContact O-N 2.78Å
324	V	28.9	Very low	34.5	Very low	150 Å²	150	123.2 Å²	123.2	91%	0.909	69%	0.691	S	S	*	*			trans	-45.2	94.7	-172.5	-176.9	0	0	0	0	110.5	E326	V324-E326 PolarHBondContact O-N 2.97Å; V324-E326 VanDerWaalsContact O-N 3.09Å
325	K	28.8	Very low	36.5	Very low	173 Å²	173	125.2 Å²	125.2	75%	0.752	69%	0.69	S	S	*	*			trans	-73.1	107	179.5	-80.9	-174.9	178.2	178.8	0	107.7	D323 L327	D323-K325 PolarHBondContact O-N 2.78Å; K325-L327 PolarHBondContact O-N 3.4Å; K325-L327 VanDerWaalsContact O-N 3.12Å
326	E	28.7	Very low	39.4	Very low	176 Å²	176	127.2 Å²	127.2	82%	0.822	68%	0.68	S	S	*	*			trans	-34.8	116.2	156.9	-67.9	175	154.6	0	0	109.2	V324 H328	V324-E326 PolarHBondContact O-N 2.97Å; V324-E326 VanDerWaalsContact O-N 3.09Å; E326-H328 PolarHBondContact O-N 2.81Å
327	L	34.2	Very low	42.3	Very low	120 Å²	120	120.2 Å²	120.2	63%	0.628	64%	0.643	S	S	*	*	S	Bend	trans	-77.1	51.7	-178.5	-163.4	82.2	0	0	0	110.4	K325	K325-L327 PolarHBondContact O-N 3.4Å; K325-L327 VanDerWaalsContact O-N 3.12Å
328	H	36.1	Very low	45.2	Very low	90 Å²	90	116.3 Å²	116.3	42%	0.417	62%	0.62	S	S	.	*			trans	-138	92.4	-178.8	-65.8	-48.8	0	0	0	111	E326	E326-H328 PolarHBondContact O-N 2.81Å
329	L	33.5	Very low	48.3	Very low	135 Å²	135	111.5 Å²	111.5	71%	0.707	59%	0.594	S	S	*	*			trans	-84.3	129.2	158.9	-79.2	157.9	0	0	0	108.2	G331	L329-G331 PolarHBondContact O-N 3.25Å
330	P	33	Very low	51.5	Low	130 Å²	130	101.1 Å²	101.1	84%	0.844	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	126	172.3	-21	31.3	0	0	0	110.4
331	G	39.6	Very low	54.7	Low	72 Å²	72	95.2 Å²	95.2	74%	0.742	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.5	1.3	174.8	0	0	0	0	0	116.8	L329 V333	L329-G331 PolarHBondContact O-N 3.25Å; G331-V333 PolarHBondContact O-N 2.94Å; G331-V333 VanDerWaalsContact O-N 3.15Å
332	A	45.1	Very low	58.1	Low	53 Å²	53	89 Å²	89	44%	0.438	49%	0.491	S	S	.	.			trans	-70.8	105.1	170	0	0	0	0	0	110.6	F307	F307-A332 HydrophobicContact CD1-CB 4.44Å
333	V	51.5	Low	61.2	Low	107 Å²	107	81.6 Å²	81.6	65%	0.648	45%	0.452	S	S	*	.			trans	-88	105.1	170.7	-174.9	0	0	0	0	107.7	G331 Q335	G331-V333 PolarHBondContact O-N 2.94Å; G331-V333 VanDerWaalsContact O-N 3.15Å; V333-Q335 HydrophobicContact CG1-CG 4.13Å; V333-Q335 PolarHBondContact O-N 2.74Å
334	A	59.7	Low	64.4	Low	20 Å²	20	74.7 Å²	74.7	17%	0.165	42%	0.415	C	S	.	.			trans	-66	106.2	167.7	0	0	0	0	0	108	A273 P305 F307	A273-A334 WeakPolarHBondContact CB-O 3.43Å; P305-A334 HydrophobicContact CB-CB 3.55Å; F307-A334 HydrophobicContact CD1-CB 3.95Å; F307-A334 HydrophobicContact CE1-CB 3.82Å; F307-A334 HydrophobicContact CZ-CB 4.36Å
335	Q	75.9	Confident	67.7	Low	138 Å²	138	67.6 Å²	67.6	65%	0.645	37%	0.371	S	S	*	.			trans	-85.2	-43.5	176.1	-75	-173.9	-10.4	0	0	110.7	N272 A273 V333	N272-Q335 CarbonylContact C-O 3.58Å; N272-Q335 WeakPolarHBondContact CA-O 3.1Å; N272-Q335 WeakPolarHBondContact CB-O 3.27Å; N272-Q335 VanDerWaalsContact CG-O 3.3Å; N272-Q335 PolarHBondContact OD1-O 3.14Å; A273-Q335 PolarHBondContact N-O 3.14Å; V333-Q335 HydrophobicContact CG1-CG 4.13Å; V333-Q335 PolarHBondContact O-N 2.74Å
336	Q	90.4	Very high	71.1	Confident	116 Å²	116	59.3 Å²	59.3	54%	0.542	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-101.1	159.7	-175.5	-68	179.6	-15.1	0	0	112.6	L271 I306	L271-Q336 CarbonylContact O-C 3.59Å; L271-Q336 VanDerWaalsContact O-CA 3.29Å; L271-Q336 WeakPolarHBondContact O-CA 3.24Å; I306-Q336 HydrophobicContact CB-CB 4.5Å; I306-Q336 HydrophobicContact CD1-CB 4.23Å; I306-Q336 PolarHBondContact N-O 2.85Å
337	V	93.1	Very high	74.4	Confident	9 Å²	9	51 Å²	51	6%	0.055	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.6	176.2	-55	0	0	0	0	111.3	V267 L271 A273 F303 R304 L339	V267-V337 HydrophobicContact CG1-CG2 3.83Å; L271-V337 PolarHBondContact O-N 3.39Å; A273-V337 HydrophobicContact CB-CG1 3.83Å; F303-V337 HydrophobicContact CB-CB 4.03Å; F303-V337 HydrophobicContact CB-CG2 4.09Å; F303-V337 HydrophobicContact CD2-CB 3.76Å; F303-V337 HydrophobicContact CD2-CG1 3.36Å; F303-V337 HydrophobicContact CD2-CG2 4.39Å; F303-V337 HydrophobicContact CE2-CG1 3.78Å; F303-V337 HydrophobicContact CG-CB 4.2Å; F303-V337 HydrophobicContact CG-CG1 4.16Å; F303-V337 HydrophobicContact CG-CG2 4.41Å; R304-V337 CarbonylContact O-C 3.58Å; R304-V337 VanDerWaalsContact O-CA 3.28Å; R304-V337 WeakPolarHBondContact O-CA 3.44Å; R304-V337 WeakPolarHBondContact O-CB 3.24Å; V337-L339 HydrophobicContact CG2-CD2 3.87Å; V337-L339 HydrophobicContact CG2-CG 4.35Å
338	E	93	Very high	77.5	Confident	49 Å²	49	45.2 Å²	45.2	23%	0.229	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.4	159.1	-60.6	-177	-164.1	0	0	109.9	F303 R304 I306 F478	F303-E338 CarbonylContact C-O 3.52Å; F303-E338 WeakPolarHBondContact CA-O 3.43Å; F303-E338 WeakPolarHBondContact CB-O 3.3Å; R304-E338 HydrophobicContact CG-CB 3.8Å; R304-E338 HydrophobicContact CG-CG 4.35Å; R304-E338 VanDerWaalsContact CZ-CD 3.44Å; R304-E338 IonicContact CZ-OE1 2.77Å; R304-E338 IonicContact CZ-OE2 3.68Å; R304-E338 PolarHBondContact N-O 3Å; R304-E338 IonicContact NE-OE1 3.95Å; R304-E338 PolarHBondContact NE-OE1 3.06Å; R304-E338 IonicContact NE-OE2 3.77Å; R304-E338 PolarHBondContact NE-OE2 3.34Å; R304-E338 IonicContact NH2-OE1 2.67Å; R304-E338 PolarHBondContact NH2-OE1 3.42Å; R304-E338 IonicContact NH2-OE2 2.77Å; R304-E338 PolarHBondContact NH2-OE2 2.81Å; R304-E338 PolarHBondContact O-N 3.47Å; I306-E338 HydrophobicContact CD1-CG 3.69Å; I306-E338 HydrophobicContact CG1-CG 3.82Å; E338-F478 HydrophobicContact CB-CD2 4.5Å; E338-F478 HydrophobicContact CB-CE2 3.87Å; E338-F478 HydrophobicContact CB-CZ 4.22Å; E338-F478 HydrophobicContact CG-CZ 4.41Å; E338-F478 WeakPolarHBondContact OE2-CE1 3.46Å; E338-F478 VanDerWaalsContact OE2-CE2 3.3Å; E338-F478 WeakPolarHBondContact OE2-CE2 3.34Å; E338-F478 WeakPolarHBondContact OE2-CZ 3.34Å
339	L	94.7	Very high	80.5	Confident	17 Å²	17	41 Å²	41	9%	0.089	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.3	-175.1	-71.8	-175.9	0	0	0	113.1	V267 K268 L271 I301 F303 V337	V267-L339 HydrophobicContact CG1-CD2 3.81Å; K268-L339 HydrophobicContact CD-CD1 3.62Å; L271-L339 HydrophobicContact CD2-CD1 3.25Å; L271-L339 HydrophobicContact CD2-CG 3.68Å; I301-L339 HydrophobicContact CG2-CD2 3.84Å; F303-L339 HydrophobicContact CB-CD2 4.24Å; V337-L339 HydrophobicContact CG2-CD2 3.87Å; V337-L339 HydrophobicContact CG2-CG 4.35Å
340	L	96.7	Very high	83.6	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	79.5	163.7	-70.1	160.7	0	0	0	106.5	Y302 R344 F474 W477 F478	Y302-L340 PolarHBondContact N-O 3.37Å; Y302-L340 CarbonylContact O-C 3.59Å; Y302-L340 WeakPolarHBondContact O-CA 3.35Å; Y302-L340 PolarHBondContact O-N 3.01Å; L340-R344 HydrophobicContact CB-CB 4.3Å; L340-R344 HydrophobicContact CD2-CB 4.17Å; L340-R344 HydrophobicContact CD2-CG 4.19Å; L340-F474 HydrophobicContact CD1-CD1 3.68Å; L340-F474 HydrophobicContact CD1-CE1 4.08Å; L340-F474 HydrophobicContact CD1-CG 4.19Å; L340-W477 HydrophobicContact CB-CE3 4.46Å; L340-W477 HydrophobicContact CB-CH2 4Å; L340-W477 HydrophobicContact CB-CZ2 4.14Å; L340-W477 HydrophobicContact CB-CZ3 4.17Å; L340-W477 HydrophobicContact CD1-CD2 4.13Å; L340-W477 HydrophobicContact CD1-CE3 3.68Å; L340-W477 HydrophobicContact CD1-CZ3 3.93Å; L340-W477 HydrophobicContact CD2-CD2 3.85Å; L340-W477 HydrophobicContact CD2-CE3 4.26Å; L340-W477 HydrophobicContact CD2-CG 3.99Å; L340-W477 HydrophobicContact CG-CD2 4.42Å; L340-W477 HydrophobicContact CG-CE3 4.36Å; L340-F478 HydrophobicContact CD2-CB 4.06Å; L340-F478 HydrophobicContact CD2-CD2 3.98Å; L340-F478 HydrophobicContact CG-CD2 4.36Å
341	D	96.7	Very high	86.7	Confident	7 Å²	7	29.1 Å²	29.1	4%	0.037	18%	0.176	C	C	.	.			trans	-83.8	-169.5	-171.9	72.3	3.3	0	0	0	113.8	K268 I301 D343 R344 I345 A417	K268-D341 IonicContact NZ-OD2 2.72Å; K268-D341 PolarHBondContact NZ-OD2 3.39Å; I301-D341 HydrophobicContact CD1-CB 3.66Å; D341-D343 VanDerWaalsContact C-N 3.25Å; D341-D343 PolarHBondContact O-N 3.42Å; D341-D343 PolarHBondContact OD1-N 2.88Å; D341-D343 VanDerWaalsContact OD1-N 3.15Å; D341-R344 WeakPolarHBondContact O-CA 2.87Å; D341-R344 VanDerWaalsContact O-CB 3.32Å; D341-R344 WeakPolarHBondContact O-CB 3.41Å; D341-R344 PolarHBondContact O-N 2.93Å; D341-R344 PolarHBondContact OD1-N 3.19Å; D341-I345 PolarHBondContact O-N 3.24Å; D341-A417 WeakPolarHBondContact CB-O 3.47Å
342	G	97.8	Very high	89.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-33.7	-178.4	0	0	0	0	0	114.4	R344 I345 S346 F415 E416	G342-R344 VanDerWaalsContact C-N 3.29Å; G342-R344 PolarHBondContact O-N 3.05Å; G342-I345 PolarHBondContact O-N 3.3Å; G342-S346 WeakPolarHBondContact O-CB 3.24Å; G342-S346 PolarHBondContact O-N 3.4Å; G342-S346 PolarHBondContact O-OG 3Å; G342-S346 VanDerWaalsContact O-OG 3.09Å; G342-F415 WeakPolarHBondContact O-CB 3.46Å; G342-E416 WeakPolarHBondContact CA-O 3.46Å
343	D	97.7	Very high	91.9	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-36.1	175.1	-75.9	-60.2	0	0	0	111.2	D341 S346 C347 Q372 A376 S380	D341-D343 VanDerWaalsContact C-N 3.25Å; D341-D343 PolarHBondContact O-N 3.42Å; D341-D343 PolarHBondContact OD1-N 2.88Å; D341-D343 VanDerWaalsContact OD1-N 3.15Å; D343-S346 PolarHBondContact O-N 2.97Å; D343-C347 WeakPolarHBondContact O-CB 3.32Å; D343-C347 PolarHBondContact O-N 3.09Å; D343-C347 PolarHBondContact O-SG 3.21Å; D343-Q372 PolarHBondContact OD1-NE2 2.94Å; D343-A376 VanDerWaalsContact OD1-CB 3.28Å; D343-A376 WeakPolarHBondContact OD1-CB 3.36Å; D343-A376 WeakPolarHBondContact OD2-CA 3.11Å; D343-S380 PolarHBondContact OD1-OG 3.04Å
344	R	97.8	Very high	94	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-69.5	-38.9	175.8	-66.2	-79.6	179.8	161.8	1.7	111.8	L340 D341 G342 C347 L348 W477 F478 Y481 D483	L340-R344 HydrophobicContact CB-CB 4.3Å; L340-R344 HydrophobicContact CD2-CB 4.17Å; L340-R344 HydrophobicContact CD2-CG 4.19Å; D341-R344 WeakPolarHBondContact O-CA 2.87Å; D341-R344 VanDerWaalsContact O-CB 3.32Å; D341-R344 WeakPolarHBondContact O-CB 3.41Å; D341-R344 PolarHBondContact O-N 2.93Å; D341-R344 PolarHBondContact OD1-N 3.19Å; G342-R344 VanDerWaalsContact C-N 3.29Å; G342-R344 PolarHBondContact O-N 3.05Å; R344-C347 PolarHBondContact O-N 3.18Å; R344-L348 WeakPolarHBondContact O-CB 3.47Å; R344-L348 PolarHBondContact O-N 3.3Å; R344-W477 HydrophobicContact CB-CZ2 4.09Å; R344-W477 PolarHBondContact O-NE1 2.68Å; R344-F478 PolarHBondContact NH1-O 2.87Å; R344-Y481 VanDerWaalsContact CD-CZ 3.43Å; R344-Y481 VanDerWaalsContact CD-OH 3.23Å; R344-Y481 WeakPolarHBondContact CD-OH 3.39Å; R344-Y481 WeakPolarHBondContact CG-OH 3.45Å; R344-Y481 VanDerWaalsContact CZ-O 3.29Å; R344-Y481 PolarHBondContact N-OH 3.46Å; R344-Y481 VanDerWaalsContact NE-CE2 3.27Å; R344-Y481 PolarHBondContact NE-OH 3.5Å; R344-Y481 PolarHBondContact NH1-O 2.8Å; R344-Y481 PolarHBondContact NH2-O 3.01Å; R344-D483 IonicContact CZ-OD1 3.27Å; R344-D483 IonicContact NE-OD1 3.1Å; R344-D483 PolarHBondContact NE-OD1 2.86Å; R344-D483 IonicContact NH2-OD1 3.54Å; R344-D483 PolarHBondContact NH2-OD1 3.25Å
345	I	98.7	Very high	95.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-48.3	173.6	-63.6	170.2	0	0	0	109.8	L300 D341 G342 C347 L348 F349 F415 V463 W477	L300-I345 HydrophobicContact CB-CD1 4.4Å; L300-I345 HydrophobicContact CD2-CD1 4.31Å; L300-I345 HydrophobicContact CG-CD1 4.15Å; D341-I345 PolarHBondContact O-N 3.24Å; G342-I345 PolarHBondContact O-N 3.3Å; I345-C347 VanDerWaalsContact C-N 3.32Å; I345-C347 PolarHBondContact O-N 3.15Å; I345-L348 WeakPolarHBondContact O-CB 3.36Å; I345-L348 PolarHBondContact O-N 2.7Å; I345-L348 VanDerWaalsContact O-N 3.14Å; I345-F349 HydrophobicContact CG2-CD2 3.89Å; I345-F349 HydrophobicContact CG2-CE1 4.33Å; I345-F349 HydrophobicContact CG2-CE2 3.43Å; I345-F349 VanDerWaalsContact CG2-CE2 3.43Å; I345-F349 HydrophobicContact CG2-CZ 3.68Å; I345-F349 PolarHBondContact O-N 3.04Å; I345-F415 HydrophobicContact CB-CD1 4.31Å; I345-F415 HydrophobicContact CB-CE1 4.47Å; I345-F415 HydrophobicContact CB-CG 4.4Å; I345-F415 HydrophobicContact CD1-CD1 4.36Å; I345-F415 HydrophobicContact CD1-CE1 4.42Å; I345-F415 HydrophobicContact CG2-CD1 4.04Å; I345-F415 HydrophobicContact CG2-CD2 4.09Å; I345-F415 HydrophobicContact CG2-CE1 3.74Å; I345-F415 HydrophobicContact CG2-CE2 3.8Å; I345-F415 HydrophobicContact CG2-CG 4.24Å; I345-F415 HydrophobicContact CG2-CZ 3.63Å; I345-V463 HydrophobicContact CG1-CG2 4.43Å; I345-V463 HydrophobicContact CG2-CG2 4.15Å; I345-W477 HydrophobicContact CB-CZ2 4.46Å; I345-W477 HydrophobicContact CG1-CH2 3.96Å; I345-W477 HydrophobicContact CG1-CZ2 3.8Å
346	S	98.7	Very high	96.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.6	-45.4	176.8	-66.3	0	0	0	0	112.3	G342 D343 F349 A350 F415	G342-S346 WeakPolarHBondContact O-CB 3.24Å; G342-S346 PolarHBondContact O-N 3.4Å; G342-S346 PolarHBondContact O-OG 3Å; G342-S346 VanDerWaalsContact O-OG 3.09Å; D343-S346 PolarHBondContact O-N 2.97Å; S346-F349 PolarHBondContact O-N 3.02Å; S346-A350 VanDerWaalsContact O-CB 3.3Å; S346-A350 WeakPolarHBondContact O-CB 3.02Å; S346-A350 PolarHBondContact O-N 3.08Å; S346-F415 WeakPolarHBondContact OG-CB 2.95Å; S346-F415 WeakPolarHBondContact OG-CD2 3.25Å
347	C	98.7	Very high	96.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.2	-40.5	177.9	-69.8	0	0	0	0	112.3	D343 R344 I345 H351 Y383 L384 M480 Y481	D343-C347 WeakPolarHBondContact O-CB 3.32Å; D343-C347 PolarHBondContact O-N 3.09Å; D343-C347 PolarHBondContact O-SG 3.21Å; R344-C347 PolarHBondContact O-N 3.18Å; I345-C347 VanDerWaalsContact C-N 3.32Å; I345-C347 PolarHBondContact O-N 3.15Å; C347-H351 VanDerWaalsContact O-CB 3.32Å; C347-H351 WeakPolarHBondContact O-CB 3.37Å; C347-H351 PolarHBondContact O-N 3.04Å; C347-Y383 HydrophobicContact CB-CD1 4.03Å; C347-Y383 HydrophobicContact CB-CE1 4.06Å; C347-L384 HydrophobicContact CB-CD2 4.47Å; C347-M480 HydrophobicContact CB-CE 3.82Å; C347-M480 WeakPolarHBondContact O-CE 3.29Å; C347-Y481 HydrophobicContact CB-CE1 3.9Å; C347-Y481 VanDerWaalsContact SG-CE1 3.51Å
348	L	98.8	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-50.3	177.6	178	65.2	0	0	0	111	R344 I345 H351 F352 V463 T466 L467 L470 W472 W477	R344-L348 WeakPolarHBondContact O-CB 3.47Å; R344-L348 PolarHBondContact O-N 3.3Å; I345-L348 WeakPolarHBondContact O-CB 3.36Å; I345-L348 PolarHBondContact O-N 2.7Å; I345-L348 VanDerWaalsContact O-N 3.14Å; L348-H351 PolarHBondContact O-N 2.86Å; L348-F352 WeakPolarHBondContact O-CB 3.05Å; L348-F352 PolarHBondContact O-N 3.48Å; L348-V463 HydrophobicContact CD2-CB 4.49Å; L348-V463 HydrophobicContact CD2-CG1 3.95Å; L348-V463 HydrophobicContact CD2-CG2 4.38Å; L348-T466 HydrophobicContact CD1-CG2 3.84Å; L348-T466 HydrophobicContact CD2-CG2 4.17Å; L348-T466 HydrophobicContact CG-CG2 3.68Å; L348-L467 HydrophobicContact CD1-CD2 3.89Å; L348-L467 HydrophobicContact CD2-CD2 4.04Å; L348-L467 HydrophobicContact CD2-CG 4.07Å; L348-L470 HydrophobicContact CD1-CD1 3.74Å; L348-W472 HydrophobicContact CD1-CE3 4.2Å; L348-W472 HydrophobicContact CD1-CZ3 4.34Å; L348-W477 HydrophobicContact CB-CZ2 4.46Å; L348-W477 HydrophobicContact CD1-CG 4.44Å; L348-W477 HydrophobicContact CD2-CD2 4.08Å; L348-W477 HydrophobicContact CD2-CE3 4.45Å; L348-W477 HydrophobicContact CD2-CH2 4.44Å; L348-W477 HydrophobicContact CD2-CZ2 4.06Å
349	F	98.8	Very high	95.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-43.6	178.8	-66.8	-13.5	0	0	0	111.9	I345 S346 H351 F352 L353 I413 F415 V423 F445 L462 V463	I345-F349 HydrophobicContact CG2-CD2 3.89Å; I345-F349 HydrophobicContact CG2-CE1 4.33Å; I345-F349 HydrophobicContact CG2-CE2 3.43Å; I345-F349 VanDerWaalsContact CG2-CE2 3.43Å; I345-F349 HydrophobicContact CG2-CZ 3.68Å; I345-F349 PolarHBondContact O-N 3.04Å; S346-F349 PolarHBondContact O-N 3.02Å; F349-H351 VanDerWaalsContact C-N 3.34Å; F349-H351 PolarHBondContact O-N 3.03Å; F349-F352 PolarHBondContact O-N 3.48Å; F349-L353 WeakPolarHBondContact O-CB 3.13Å; F349-L353 WeakPolarHBondContact O-CG 3.44Å; F349-L353 PolarHBondContact O-N 3.32Å; F349-I413 HydrophobicContact CB-CD1 4.02Å; F349-F415 AromaticContact CD2-CE2 3.86Å; F349-F415 HydrophobicContact CD2-CE2 3.86Å; F349-F415 HydrophobicContact CD2-CZ 4.3Å; F349-F415 AromaticContact CE2-CE2 3.76Å; F349-F415 HydrophobicContact CE2-CE2 3.76Å; F349-F415 AromaticContact CE2-CZ 3.71Å; F349-F415 HydrophobicContact CE2-CZ 3.71Å; F349-V423 HydrophobicContact CD2-CG2 3.88Å; F349-V423 HydrophobicContact CE2-CG2 4.38Å; F349-F445 HydrophobicContact CB-CE2 4.13Å; F349-F445 HydrophobicContact CB-CZ 3.91Å; F349-F445 AromaticContact CD1-CE2 3.87Å; F349-F445 HydrophobicContact CD1-CE2 3.87Å; F349-F445 HydrophobicContact CD1-CZ 4.24Å; F349-F445 HydrophobicContact CD2-CZ 4.18Å; F349-F445 HydrophobicContact CE1-CE2 4.44Å; F349-F445 AromaticContact CG-CE2 3.97Å; F349-F445 HydrophobicContact CG-CE2 3.97Å; F349-F445 AromaticContact CG-CZ 3.87Å; F349-F445 HydrophobicContact CG-CZ 3.87Å; F349-L462 HydrophobicContact CD1-CG 4.47Å; F349-L462 HydrophobicContact CD2-CD2 4.27Å; F349-L462 HydrophobicContact CE1-CB 4.25Å; F349-L462 HydrophobicContact CE1-CD2 4.07Å; F349-L462 HydrophobicContact CE1-CG 3.74Å; F349-L462 HydrophobicContact CE2-CD2 3.63Å; F349-L462 HydrophobicContact CE2-CG 4.21Å; F349-L462 HydrophobicContact CZ-CB 3.89Å; F349-L462 HydrophobicContact CZ-CD2 3.52Å; F349-L462 HydrophobicContact CZ-CG 3.58Å; F349-V463 HydrophobicContact CE1-CB 4.47Å; F349-V463 HydrophobicContact CE1-CG2 3.73Å; F349-V463 HydrophobicContact CZ-CG2 3.65Å
350	A	98.6	Very high	94.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-44	174.7	0	0	0	0	0	111.7	S346 F352 L353 V354 V370 L384 L388 I413	S346-A350 VanDerWaalsContact O-CB 3.3Å; S346-A350 WeakPolarHBondContact O-CB 3.02Å; S346-A350 PolarHBondContact O-N 3.08Å; A350-F352 PolarHBondContact O-N 3Å; A350-L353 PolarHBondContact O-N 2.81Å; A350-V354 WeakPolarHBondContact O-CB 3.45Å; A350-V354 VanDerWaalsContact O-CG2 3.26Å; A350-V354 WeakPolarHBondContact O-CG2 3.38Å; A350-V354 PolarHBondContact O-N 2.98Å; A350-V370 HydrophobicContact CB-CG2 3.96Å; A350-L384 HydrophobicContact CB-CD2 3.77Å; A350-L388 HydrophobicContact CB-CD1 3.78Å; A350-I413 HydrophobicContact CB-CD1 3.98Å
351	H	98.1	Very high	93.3	Very high	17 Å²	17	22.7 Å²	22.7	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-46.4	177.8	-177.3	104.3	0	0	0	111.5	C347 L348 F349 V354 K355 Y383 L388 W472 M480	C347-H351 VanDerWaalsContact O-CB 3.32Å; C347-H351 WeakPolarHBondContact O-CB 3.37Å; C347-H351 PolarHBondContact O-N 3.04Å; L348-H351 PolarHBondContact O-N 2.86Å; F349-H351 VanDerWaalsContact C-N 3.34Å; F349-H351 PolarHBondContact O-N 3.03Å; H351-V354 PolarHBondContact O-N 2.68Å; H351-K355 WeakPolarHBondContact NE2-CD 3.41Å; H351-K355 WeakPolarHBondContact NE2-CE 3.11Å; H351-K355 PolarHBondContact NE2-NZ 3.38Å; H351-K355 PolarHBondContact O-N 2.92Å; H351-K355 VanDerWaalsContact O-N 3.09Å; H351-Y383 PolarHBondContact ND1-OH 2.61Å; H351-L388 HydrophobicContact CB-CD1 4Å; H351-L388 HydrophobicContact CB-CD2 4.18Å; H351-W472 AromaticContact CD2-CH2 3.72Å; H351-W472 AromaticContact CE1-CH2 3.5Å; H351-W472 VanDerWaalsContact CE1-CH2 3.5Å; H351-W472 WeakPolarHBondContact CE1-CH2 3.31Å; H351-W472 AromaticContact CE1-CZ2 3.82Å; H351-W472 AromaticContact CG-CH2 3.96Å; H351-W472 AromaticContact ND1-CH2 3.81Å; H351-W472 AromaticContact NE2-CH2 3.44Å; H351-W472 WeakPolarHBondContact NE2-CH2 3.35Å; H351-W472 AromaticContact NE2-CZ2 3.53Å; H351-M480 HydrophobicContact CB-CE 3.88Å
352	F	97.8	Very high	91.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.6	-51.5	176.8	170.6	-91.8	0	0	0	111.7	L348 F349 A350 V354 K355 V356 P441 F445 Y465 T466 W469	L348-F352 WeakPolarHBondContact O-CB 3.05Å; L348-F352 PolarHBondContact O-N 3.48Å; F349-F352 PolarHBondContact O-N 3.48Å; A350-F352 PolarHBondContact O-N 3Å; F352-V354 PolarHBondContact O-N 3.1Å; F352-K355 PolarHBondContact O-N 2.84Å; F352-K355 VanDerWaalsContact O-N 3.1Å; F352-V356 HydrophobicContact CD1-CG2 4.23Å; F352-V356 HydrophobicContact CD2-CG2 4.13Å; F352-V356 HydrophobicContact CE1-CG2 3.81Å; F352-V356 HydrophobicContact CE2-CG2 3.74Å; F352-V356 HydrophobicContact CG-CG2 4.37Å; F352-V356 HydrophobicContact CZ-CG2 3.57Å; F352-V356 WeakPolarHBondContact O-CG2 3.34Å; F352-V356 PolarHBondContact O-N 3.43Å; F352-P441 HydrophobicContact CE2-CB 4.46Å; F352-P441 HydrophobicContact CZ-CB 3.96Å; F352-F445 AromaticContact CD1-CD2 3.48Å; F352-F445 HydrophobicContact CD1-CD2 3.48Å; F352-F445 VanDerWaalsContact CD1-CD2 3.48Å; F352-F445 AromaticContact CD1-CE2 3.89Å; F352-F445 HydrophobicContact CD1-CE2 3.89Å; F352-F445 HydrophobicContact CD1-CG 4.29Å; F352-F445 HydrophobicContact CE1-CB 3.79Å; F352-F445 AromaticContact CE1-CD2 3.33Å; F352-F445 HydrophobicContact CE1-CD2 3.33Å; F352-F445 HydrophobicContact CE1-CE2 4.2Å; F352-F445 AromaticContact CE1-CG 3.82Å; F352-F445 HydrophobicContact CE1-CG 3.82Å; F352-F445 HydrophobicContact CZ-CB 4.39Å; F352-F445 HydrophobicContact CZ-CD2 4.24Å; F352-Y465 HydrophobicContact CE2-CE1 4.14Å; F352-Y465 AromaticContact CZ-CE1 3.8Å; F352-Y465 HydrophobicContact CZ-CE1 3.8Å; F352-T466 HydrophobicContact CB-CG2 3.45Å; F352-T466 VanDerWaalsContact CB-CG2 3.45Å; F352-T466 HydrophobicContact CD2-CG2 3.77Å; F352-T466 HydrophobicContact CG-CG2 3.74Å; F352-W469 HydrophobicContact CD2-CB 4.42Å; F352-W469 AromaticContact CD2-CD2 3.99Å; F352-W469 HydrophobicContact CD2-CD2 3.99Å; F352-W469 AromaticContact CD2-CE3 3.6Å; F352-W469 HydrophobicContact CD2-CE3 3.6Å; F352-W469 HydrophobicContact CD2-CG 4.34Å; F352-W469 HydrophobicContact CD2-CZ3 4.19Å; F352-W469 HydrophobicContact CE2-CB 3.89Å; F352-W469 AromaticContact CE2-CD2 3.57Å; F352-W469 HydrophobicContact CE2-CD2 3.57Å; F352-W469 AromaticContact CE2-CE3 3.7Å; F352-W469 HydrophobicContact CE2-CE3 3.7Å; F352-W469 AromaticContact CE2-CG 3.64Å; F352-W469 HydrophobicContact CE2-CG 3.64Å; F352-W469 HydrophobicContact CE2-CZ3 4.44Å
353	L	96.9	Very high	90	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-42.4	-178.9	-69.6	171.4	0	0	0	111.8	F349 A350 K355 V356 L357 I368 F411 I413 L442 F445	F349-L353 WeakPolarHBondContact O-CB 3.13Å; F349-L353 WeakPolarHBondContact O-CG 3.44Å; F349-L353 PolarHBondContact O-N 3.32Å; A350-L353 PolarHBondContact O-N 2.81Å; L353-K355 VanDerWaalsContact C-N 3.28Å; L353-K355 PolarHBondContact O-N 2.65Å; L353-V356 PolarHBondContact O-N 3.37Å; L353-L357 VanDerWaalsContact O-CB 3.31Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 VanDerWaalsContact O-CG 3.31Å; L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 3.42Å; L353-I368 HydrophobicContact CB-CD1 3.65Å; L353-I368 HydrophobicContact CB-CG1 4.36Å; L353-F411 HydrophobicContact CD1-CB 3.82Å; L353-F411 HydrophobicContact CD1-CD1 3.68Å; L353-F411 HydrophobicContact CD1-CE1 4.43Å; L353-F411 HydrophobicContact CD1-CG 3.81Å; L353-F411 HydrophobicContact CD2-CD1 3.77Å; L353-F411 HydrophobicContact CD2-CE1 3.66Å; L353-F411 HydrophobicContact CD2-CG 4.35Å; L353-F411 HydrophobicContact CD2-CZ 4.14Å; L353-F411 HydrophobicContact CG-CD1 4.37Å; L353-I413 HydrophobicContact CD1-CD1 3.89Å; L353-I413 HydrophobicContact CD1-CG1 4.42Å; L353-L442 HydrophobicContact CD2-CD1 3.71Å; L353-F445 HydrophobicContact CD1-CE1 4.23Å; L353-F445 HydrophobicContact CD1-CZ 4.25Å; L353-F445 HydrophobicContact CD2-CD1 4.05Å; L353-F445 HydrophobicContact CD2-CD2 4.48Å; L353-F445 HydrophobicContact CD2-CE1 4.22Å; L353-F445 HydrophobicContact CD2-CG 4.2Å; L353-F445 HydrophobicContact CG-CE1 4.5Å; L353-F445 HydrophobicContact CG-CZ 4.4Å
354	V	95.5	Very high	88.4	Confident	18 Å²	18	42.1 Å²	42.1	11%	0.109	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-41.4	174.3	167.6	0	0	0	0	111.2	A350 H351 F352 K358 I368 V390	A350-V354 WeakPolarHBondContact O-CB 3.45Å; A350-V354 VanDerWaalsContact O-CG2 3.26Å; A350-V354 WeakPolarHBondContact O-CG2 3.38Å; A350-V354 PolarHBondContact O-N 2.98Å; H351-V354 PolarHBondContact O-N 2.68Å; F352-V354 PolarHBondContact O-N 3.1Å; V354-K358 HydrophobicContact CG1-CD 4.29Å; V354-K358 WeakPolarHBondContact O-CD 3.49Å; V354-K358 WeakPolarHBondContact O-CG 3.36Å; V354-K358 PolarHBondContact O-N 2.86Å; V354-I368 HydrophobicContact CG2-CD1 3.73Å; V354-V390 HydrophobicContact CG2-CG1 3.55Å
355	K	94.3	Very high	87.6	Confident	85 Å²	85	47.9 Å²	47.9	37%	0.37	25%	0.246	S	C	.	.	H	α-helix	trans	-70	-46.3	177.4	-84.9	-172.1	169	164.5	0	112.7	H351 F352 L353 K358 S359 W469 L470	H351-K355 WeakPolarHBondContact NE2-CD 3.41Å; H351-K355 WeakPolarHBondContact NE2-CE 3.11Å; H351-K355 PolarHBondContact NE2-NZ 3.38Å; H351-K355 PolarHBondContact O-N 2.92Å; H351-K355 VanDerWaalsContact O-N 3.09Å; F352-K355 PolarHBondContact O-N 2.84Å; F352-K355 VanDerWaalsContact O-N 3.1Å; L353-K355 VanDerWaalsContact C-N 3.28Å; L353-K355 PolarHBondContact O-N 2.65Å; K355-K358 PolarHBondContact O-N 3.16Å; K355-S359 PolarHBondContact O-N 3.11Å; K355-W469 HydrophobicContact CB-CH2 4.01Å; K355-W469 HydrophobicContact CB-CZ3 3.98Å; K355-W469 HydrophobicContact CD-CZ3 4.21Å; K355-L470 HydrophobicContact CD-CD2 3.79Å
356	V	93.4	Very high	87.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-46.5	-178.1	171.6	0	0	0	0	110.9	F352 L353 K358 S359 V360 P441 L442 W469	F352-V356 HydrophobicContact CD1-CG2 4.23Å; F352-V356 HydrophobicContact CD2-CG2 4.13Å; F352-V356 HydrophobicContact CE1-CG2 3.81Å; F352-V356 HydrophobicContact CE2-CG2 3.74Å; F352-V356 HydrophobicContact CG-CG2 4.37Å; F352-V356 HydrophobicContact CZ-CG2 3.57Å; F352-V356 WeakPolarHBondContact O-CG2 3.34Å; F352-V356 PolarHBondContact O-N 3.43Å; L353-V356 PolarHBondContact O-N 3.37Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 2.95Å; V356-S359 WeakPolarHBondContact O-CA 3.35Å; V356-S359 PolarHBondContact O-N 3.14Å; V356-S359 PolarHBondContact O-OG 3.29Å; V356-V360 HydrophobicContact CG1-CG2 3.89Å; V356-V360 WeakPolarHBondContact O-CG2 3.33Å; V356-V360 PolarHBondContact O-N 3.07Å; V356-P441 HydrophobicContact CG1-CB 4.28Å; V356-P441 HydrophobicContact CG1-CG 3.85Å; V356-P441 HydrophobicContact CG2-CB 4Å; V356-P441 HydrophobicContact CG2-CG 4.08Å; V356-L442 HydrophobicContact CG1-CB 3.84Å; V356-L442 HydrophobicContact CG1-CD1 4.05Å; V356-W469 HydrophobicContact CG2-CH2 3.74Å; V356-W469 HydrophobicContact CG2-CZ2 3.69Å; V356-W469 HydrophobicContact CG2-CZ3 4.19Å
357	L	91.9	Very high	87	Confident	20 Å²	20	51.5 Å²	51.5	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-39.4	179.9	-71.4	179.9	0	0	0	112.2	L353 S359 V360 S361 L366 I368 F411 L442	L353-L357 VanDerWaalsContact O-CB 3.31Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 VanDerWaalsContact O-CG 3.31Å; L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 3.42Å; L357-S359 PolarHBondContact O-N 2.92Å; L357-V360 PolarHBondContact O-N 2.74Å; L357-S361 PolarHBondContact O-N 3.27Å; L357-L366 HydrophobicContact CD1-CB 4.26Å; L357-L366 HydrophobicContact CD2-CD1 3.67Å; L357-I368 HydrophobicContact CD1-CD1 3.82Å; L357-I368 HydrophobicContact CD1-CG1 4.05Å; L357-F411 HydrophobicContact CD1-CD2 4.29Å; L357-F411 HydrophobicContact CD1-CE2 4.01Å; L357-F411 HydrophobicContact CD2-CE2 4.15Å; L357-F411 HydrophobicContact CG-CE2 4.5Å; L357-L442 HydrophobicContact CD2-CD1 4Å; L357-L442 HydrophobicContact CD2-CD2 3.7Å; L357-L442 HydrophobicContact CG-CD1 4.46Å
358	K	87.4	Confident	87	Confident	170 Å²	170	52.3 Å²	52.3	74%	0.739	27%	0.272	S	S	*	.	H	α-helix	trans	-58.6	-27.3	172.7	-77.7	173.2	-178.2	173.8	0	113.3	V354 K355 V356	V354-K358 HydrophobicContact CG1-CD 4.29Å; V354-K358 WeakPolarHBondContact O-CD 3.49Å; V354-K358 WeakPolarHBondContact O-CG 3.36Å; V354-K358 PolarHBondContact O-N 2.86Å; K355-K358 PolarHBondContact O-N 3.16Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 2.95Å
359	S	83	Confident	87	Confident	86 Å²	86	52.3 Å²	52.3	60%	0.601	27%	0.272	S	S	*	.	H	α-helix	trans	-94.5	-26.8	-178.2	73.1	0	0	0	0	114.5	K355 V356 L357	K355-S359 PolarHBondContact O-N 3.11Å; V356-S359 WeakPolarHBondContact O-CA 3.35Å; V356-S359 PolarHBondContact O-N 3.14Å; V356-S359 PolarHBondContact O-OG 3.29Å; L357-S359 PolarHBondContact O-N 2.92Å
360	V	73.8	Confident	87	Confident	43 Å²	43	52.3 Å²	52.3	26%	0.261	27%	0.272	S	S	.	.	H	α-helix	trans	-103.5	-30.9	-170.6	175.9	0	0	0	0	112.4	V356 L357 L436	V356-V360 HydrophobicContact CG1-CG2 3.89Å; V356-V360 WeakPolarHBondContact O-CG2 3.33Å; V356-V360 PolarHBondContact O-N 3.07Å; L357-V360 PolarHBondContact O-N 2.74Å; V360-L436 HydrophobicContact CG1-CD1 4.35Å; V360-L436 HydrophobicContact CG1-CD2 3.88Å
361	S	65.5	Low	87	Confident	26 Å²	26	52.3 Å²	52.3	18%	0.182	27%	0.272	C	S	.	.			trans	-123.4	129.3	-168.1	-165.6	0	0	0	0	113.3	L357 D363	L357-S361 PolarHBondContact O-N 3.27Å; S361-D363 WeakPolarHBondContact OG-CA 3.44Å; S361-D363 WeakPolarHBondContact OG-CB 3.42Å; S361-D363 PolarHBondContact OG-N 2.77Å; S361-D363 PolarHBondContact OG-O 2.67Å
362	S	60.6	Low	87	Confident	126 Å²	126	51.7 Å²	51.7	88%	0.881	27%	0.269	S	S	*	.	S	Bend	trans	-73.9	-19.8	159.6	-47.3	0	0	0	0	111.7	R364	S362-R364 PolarHBondContact O-N 2.91Å
363	D	63.8	Low	86.9	Confident	54 Å²	54	52 Å²	52	29%	0.289	27%	0.271	S	S	.	.			trans	-74.8	104.6	-179.1	-165.4	-9.8	0	0	0	109.9	S361 N365	S361-D363 WeakPolarHBondContact OG-CA 3.44Å; S361-D363 WeakPolarHBondContact OG-CB 3.42Å; S361-D363 PolarHBondContact OG-N 2.77Å; S361-D363 PolarHBondContact OG-O 2.67Å; D363-N365 PolarHBondContact O-N 3.33Å; D363-N365 WeakPolarHBondContact OD1-CB 3.43Å; D363-N365 VanDerWaalsContact OD1-CG 3.24Å; D363-N365 PolarHBondContact OD1-N 3.11Å; D363-N365 PolarHBondContact OD1-ND2 3.22Å
364	R	64.5	Low	86.8	Confident	238 Å²	238	52.5 Å²	52.5	90%	0.898	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	1.7	176.5	-63.6	-171.6	-178.5	-172	0.9	113	S362	S362-R364 PolarHBondContact O-N 2.91Å
365	N	81	Confident	86.8	Confident	122 Å²	122	52.9 Å²	52.9	65%	0.652	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.6	-175.1	-58.1	-34.6	0	0	0	114	D363 T367	D363-N365 PolarHBondContact O-N 3.33Å; D363-N365 WeakPolarHBondContact OD1-CB 3.43Å; D363-N365 VanDerWaalsContact OD1-CG 3.24Å; D363-N365 PolarHBondContact OD1-N 3.11Å; D363-N365 PolarHBondContact OD1-ND2 3.22Å; N365-T367 PolarHBondContact O-N 2.66Å
366	L	90.8	Very high	86.9	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.089	26%	0.26	C	S	.	.			trans	-70.3	122.4	176.3	-68.9	174.7	0	0	0	110.7	L357 D410 H428 I429 F432	L357-L366 HydrophobicContact CD1-CB 4.26Å; L357-L366 HydrophobicContact CD2-CD1 3.67Å; L366-D410 WeakPolarHBondContact CA-OD2 3.29Å; L366-D410 HydrophobicContact CD2-CB 4.18Å; L366-H428 VanDerWaalsContact CD2-CE1 3.47Å; L366-H428 WeakPolarHBondContact CD2-CE1 3.32Å; L366-I429 HydrophobicContact CD1-CD1 3.86Å; L366-I429 HydrophobicContact CD2-CB 4.44Å; L366-I429 HydrophobicContact CD2-CD1 3.9Å; L366-F432 HydrophobicContact CD1-CD1 4.3Å; L366-F432 HydrophobicContact CD1-CE1 4.25Å
367	T	94.8	Very high	87	Confident	59 Å²	59	49.6 Å²	49.6	36%	0.362	26%	0.262	S	S	.	.			trans	-98	132.7	-173	55.5	0	0	0	0	112.3	N365 D410 F411	N365-T367 PolarHBondContact O-N 2.66Å; T367-D410 PolarHBondContact N-OD2 3.11Å; T367-D410 WeakPolarHBondContact O-CB 3.33Å; T367-D410 PolarHBondContact O-N 3.39Å; T367-D410 PolarHBondContact OG1-N 3.46Å; T367-D410 PolarHBondContact OG1-OD2 3.43Å; T367-F411 PolarHBondContact O-N 3.06Å
368	I	97.4	Very high	87.1	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.087	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.5	169	-57.9	168.1	0	0	0	107.6	L353 V354 L357 V390 S391 F411 I413	L353-I368 HydrophobicContact CB-CD1 3.65Å; L353-I368 HydrophobicContact CB-CG1 4.36Å; V354-I368 HydrophobicContact CG2-CD1 3.73Å; L357-I368 HydrophobicContact CD1-CD1 3.82Å; L357-I368 HydrophobicContact CD1-CG1 4.05Å; I368-V390 HydrophobicContact CB-CB 4.46Å; I368-V390 HydrophobicContact CB-CG1 4.06Å; I368-V390 HydrophobicContact CD1-CG1 4.42Å; I368-V390 HydrophobicContact CG2-CB 4.29Å; I368-V390 HydrophobicContact CG2-CG1 3.99Å; I368-S391 PolarHBondContact O-N 3.34Å; I368-F411 HydrophobicContact CG1-CB 4.22Å; I368-F411 HydrophobicContact CG1-CD2 4.18Å; I368-I413 HydrophobicContact CG2-CD1 4.17Å
369	G	98.4	Very high	87.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.1	172.8	0	0	0	0	0	110.7	S391 F409 F411 I413	G369-S391 CarbonylContact C-O 3.59Å; G369-S391 WeakPolarHBondContact CA-O 3.38Å; G369-F409 VanDerWaalsContact CA-CD1 3.41Å; G369-F411 PolarHBondContact N-O 2.84Å; G369-I413 PolarHBondContact O-N 3.21Å
370	V	98.8	Very high	88.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.7	170.4	-175.5	0	0	0	0	108.8	A350 Q372 L384 V390 S391 V392 V393 I413	A350-V370 HydrophobicContact CB-CG2 3.96Å; V370-Q372 HydrophobicContact CG1-CG 4.28Å; V370-L384 HydrophobicContact CB-CD1 3.97Å; V370-L384 HydrophobicContact CB-CD2 4.42Å; V370-L384 HydrophobicContact CG1-CD1 3.66Å; V370-L384 HydrophobicContact CG2-CD1 4.3Å; V370-L384 HydrophobicContact CG2-CD2 3.83Å; V370-V390 HydrophobicContact CG2-CG2 4.12Å; V370-S391 PolarHBondContact N-O 3.46Å; V370-V392 VanDerWaalsContact O-CA 3.28Å; V370-V392 WeakPolarHBondContact O-CA 3.38Å; V370-V393 PolarHBondContact O-N 2.91Å; V370-I413 CarbonylContact C-O 3.49Å; V370-I413 WeakPolarHBondContact CA-O 3.42Å; V370-I413 HydrophobicContact CG2-CB 4.32Å; V370-I413 HydrophobicContact CG2-CD1 4.21Å
371	I	98.6	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.6	-179.7	-36.5	-57.1	0	0	0	108.7	V393 V395 L402 A405 A406 F409 I413	I371-V393 CarbonylContact C-O 3.57Å; I371-V393 WeakPolarHBondContact CA-O 3.33Å; I371-V393 HydrophobicContact CD1-CB 3.93Å; I371-V393 HydrophobicContact CD1-CG2 4.23Å; I371-V393 HydrophobicContact CG2-CB 4.45Å; I371-V393 WeakPolarHBondContact CG2-O 3.42Å; I371-V395 HydrophobicContact CG2-CB 4.31Å; I371-V395 HydrophobicContact CG2-CG1 3.54Å; I371-V395 HydrophobicContact CG2-CG2 3.74Å; I371-L402 HydrophobicContact CB-CD2 3.99Å; I371-L402 HydrophobicContact CG2-CD2 3.73Å; I371-A405 HydrophobicContact CD1-CB 4.01Å; I371-A405 HydrophobicContact CG1-CB 4.2Å; I371-A405 HydrophobicContact CG2-CB 3.77Å; I371-A406 HydrophobicContact CG1-CB 3.84Å; I371-F409 HydrophobicContact CD1-CD2 4.08Å; I371-F409 HydrophobicContact CD1-CE2 3.66Å; I371-I413 PolarHBondContact N-O 2.99Å
372	Q	98.1	Very high	90.9	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	161.3	-179.9	-66.9	-170.2	-57.1	0	0	110.5	D343 V370 A376 S380 T381 V392 V393 C394 V395	D343-Q372 PolarHBondContact OD1-NE2 2.94Å; V370-Q372 HydrophobicContact CG1-CG 4.28Å; Q372-A376 HydrophobicContact CB-CB 3.85Å; Q372-A376 HydrophobicContact CG-CB 4.07Å; Q372-S380 PolarHBondContact NE2-OG 3.31Å; Q372-T381 PolarHBondContact OE1-OG1 2.88Å; Q372-V392 HydrophobicContact CG-CG1 4.17Å; Q372-V393 PolarHBondContact N-O 2.99Å; Q372-C394 CarbonylContact O-C 3.57Å; Q372-C394 VanDerWaalsContact O-CA 3.3Å; Q372-C394 WeakPolarHBondContact O-CA 3.42Å; Q372-V395 PolarHBondContact O-N 3.2Å
373	T	96.2	Very high	92.7	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	172.4	165.8	69.1	0	0	0	0	109.4	Y375 A376 L402 E416	T373-Y375 PolarHBondContact O-N 2.94Å; T373-Y375 PolarHBondContact OG1-N 2.9Å; T373-A376 WeakPolarHBondContact O-CB 3.47Å; T373-A376 PolarHBondContact O-N 2.99Å; T373-A376 VanDerWaalsContact O-N 3.1Å; T373-L402 HydrophobicContact CG2-CD1 3.92Å; T373-L402 HydrophobicContact CG2-CD2 3.93Å; T373-L402 HydrophobicContact CG2-CG 4.19Å; T373-E416 HydrophobicContact CG2-CG 4.21Å
374	A	95.2	Very high	94.3	Very high	10 Å²	10	33.1 Å²	33.1	8%	0.083	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	174.3	0	0	0	0	0	113.8	A376 R506 F538	A374-A376 VanDerWaalsContact C-N 3.3Å; A374-A376 PolarHBondContact O-N 3.27Å; A374-R506 HydrophobicContact CB-CG 3.8Å; A374-F538 HydrophobicContact CB-CD1 4.39Å; A374-F538 HydrophobicContact CB-CD2 4.43Å; A374-F538 HydrophobicContact CB-CE1 3.78Å; A374-F538 HydrophobicContact CB-CE2 3.84Å; A374-F538 HydrophobicContact CB-CZ 3.48Å; A374-F538 VanDerWaalsContact CB-CZ 3.48Å; A374-F538 WeakPolarHBondContact O-CE1 3.44Å; A374-F538 WeakPolarHBondContact O-CZ 3.4Å
375	Y	94.7	Very high	95.9	Very high	25 Å²	25	24.5 Å²	24.5	10%	0.098	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.6	179.3	-66.6	-72.9	0	0	0	114.8	T373 T397 Q488 F538 R540 R549 Y551	T373-Y375 PolarHBondContact O-N 2.94Å; T373-Y375 PolarHBondContact OG1-N 2.9Å; Y375-T397 HydrophobicContact CD2-CG2 4.36Å; Y375-T397 HydrophobicContact CE2-CG2 4.11Å; Y375-T397 WeakPolarHBondContact CE2-OG1 3.49Å; Y375-Q488 HydrophobicContact CD1-CG 4.46Å; Y375-Q488 HydrophobicContact CE1-CG 4.5Å; Y375-F538 AromaticContact CD1-CZ 3.89Å; Y375-F538 HydrophobicContact CD1-CZ 3.89Å; Y375-F538 HydrophobicContact CE1-CE2 4.18Å; Y375-F538 AromaticContact CE1-CZ 3.87Å; Y375-F538 HydrophobicContact CE1-CZ 3.87Å; Y375-F538 HydrophobicContact CG-CZ 4.32Å; Y375-R540 PolarHBondContact OH-NE 3.35Å; Y375-R549 WeakPolarHBondContact OH-CB 3.39Å; Y375-Y551 AromaticContact CD1-CD2 3.76Å; Y375-Y551 HydrophobicContact CD1-CD2 3.76Å; Y375-Y551 HydrophobicContact CD1-CE2 4.43Å; Y375-Y551 HydrophobicContact CD1-CG 4.39Å; Y375-Y551 HydrophobicContact CE1-CD2 4.39Å
376	A	96.2	Very high	96.7	Very high	8 Å²	8	24.8 Å²	24.8	7%	0.066	13%	0.131	C	C	.	.	S	Bend	trans	-63.6	136.9	177.6	0	0	0	0	0	111	D343 Q372 T373 A374 S378	D343-A376 VanDerWaalsContact OD1-CB 3.28Å; D343-A376 WeakPolarHBondContact OD1-CB 3.36Å; D343-A376 WeakPolarHBondContact OD2-CA 3.11Å; Q372-A376 HydrophobicContact CB-CB 3.85Å; Q372-A376 HydrophobicContact CG-CB 4.07Å; T373-A376 WeakPolarHBondContact O-CB 3.47Å; T373-A376 PolarHBondContact O-N 2.99Å; T373-A376 VanDerWaalsContact O-N 3.1Å; A374-A376 VanDerWaalsContact C-N 3.3Å; A374-A376 PolarHBondContact O-N 3.27Å; A376-S378 PolarHBondContact O-N 2.96Å
377	N	95.4	Very high	97	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.043	15%	0.153	C	C	.	.			trans	-63.5	132.6	175.5	-166.4	-84	0	0	0	110	A379 S380 T381 L484 E553	N377-A379 PolarHBondContact O-N 3.07Å; N377-A379 WeakPolarHBondContact OD1-CB 3.33Å; N377-A379 PolarHBondContact OD1-N 3.09Å; N377-S380 PolarHBondContact O-N 3.03Å; N377-S380 PolarHBondContact O-OG 3.05Å; N377-T381 PolarHBondContact O-N 3.21Å; N377-L484 PolarHBondContact ND2-N 3.42Å; N377-L484 PolarHBondContact ND2-O 3.13Å; N377-L484 PolarHBondContact OD1-N 3.36Å; N377-L484 VanDerWaalsContact OD1-N 3.16Å; N377-E553 PolarHBondContact ND2-OE1 3.07Å; N377-E553 PolarHBondContact OD1-OE1 3.43Å
378	S	95.6	Very high	97.1	Very high	32 Å²	32	27.4 Å²	27.4	22%	0.224	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-23.8	-178.7	-61.2	0	0	0	0	112.5	A376 R382 E553	A376-S378 PolarHBondContact O-N 2.96Å; S378-R382 WeakPolarHBondContact O-CG 3.47Å; S378-R382 PolarHBondContact O-N 3.16Å; S378-E553 WeakPolarHBondContact CB-OE1 3.49Å; S378-E553 VanDerWaalsContact CB-OE2 3.32Å; S378-E553 WeakPolarHBondContact CB-OE2 3.42Å; S378-E553 PolarHBondContact N-OE1 3.43Å; S378-E553 PolarHBondContact N-OE2 3.34Å; S378-E553 PolarHBondContact OG-OE2 2.73Å
379	A	96.4	Very high	97.1	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-36.6	173.4	0	0	0	0	0	113.2	N377 Y383 Y481 A482	N377-A379 PolarHBondContact O-N 3.07Å; N377-A379 WeakPolarHBondContact OD1-CB 3.33Å; N377-A379 PolarHBondContact OD1-N 3.09Å; A379-Y383 WeakPolarHBondContact O-CB 3.35Å; A379-Y383 PolarHBondContact O-N 2.67Å; A379-Y481 HydrophobicContact CB-CD2 3.7Å; A379-Y481 HydrophobicContact CB-CE2 4.35Å; A379-Y481 HydrophobicContact CB-CG 4.46Å; A379-A482 WeakPolarHBondContact CB-O 3.42Å
380	S	97.8	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-43.7	176.5	76.3	0	0	0	0	110.4	D343 Q372 N377 R382 Y383 L384 Y481	D343-S380 PolarHBondContact OD1-OG 3.04Å; Q372-S380 PolarHBondContact NE2-OG 3.31Å; N377-S380 PolarHBondContact O-N 3.03Å; N377-S380 PolarHBondContact O-OG 3.05Å; S380-R382 PolarHBondContact O-N 3.17Å; S380-Y383 PolarHBondContact O-N 2.71Å; S380-L384 VanDerWaalsContact O-CG 3.26Å; S380-L384 WeakPolarHBondContact O-CG 3.44Å; S380-L384 PolarHBondContact O-N 2.9Å; S380-Y481 VanDerWaalsContact CB-CZ 3.41Å; S380-Y481 WeakPolarHBondContact CB-OH 3.43Å
381	T	97.6	Very high	96.9	Very high	46 Å²	46	37.8 Å²	37.8	28%	0.282	20%	0.195	S	C	.	.	H	α-helix	trans	-57.5	-50.3	174.3	-53	0	0	0	0	111.3	Q372 N377 Y383 L384 T385 V392	Q372-T381 PolarHBondContact OE1-OG1 2.88Å; N377-T381 PolarHBondContact O-N 3.21Å; T381-Y383 VanDerWaalsContact C-N 3.34Å; T381-Y383 PolarHBondContact O-N 2.64Å; T381-L384 PolarHBondContact O-N 3.13Å; T381-T385 HydrophobicContact CG2-CG2 4.42Å; T381-T385 WeakPolarHBondContact O-CG2 3.5Å; T381-T385 PolarHBondContact O-N 3.48Å; T381-T385 PolarHBondContact O-OG1 3.45Å; T381-V392 HydrophobicContact CG2-CG1 4.3Å
382	R	96.9	Very high	96.9	Very high	78 Å²	78	39.6 Å²	39.6	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-42.6	178	-74.1	-171.7	-60.8	-90.3	-2.9	112.1	S378 S380 L384 T385 E386	S378-R382 WeakPolarHBondContact O-CG 3.47Å; S378-R382 PolarHBondContact O-N 3.16Å; S380-R382 PolarHBondContact O-N 3.17Å; R382-L384 VanDerWaalsContact C-N 3.33Å; R382-L384 PolarHBondContact O-N 3.25Å; R382-T385 PolarHBondContact O-N 3.29Å; R382-T385 PolarHBondContact O-OG1 3.19Å; R382-E386 WeakPolarHBondContact CG-OE1 3.06Å; R382-E386 WeakPolarHBondContact O-CA 3.36Å; R382-E386 WeakPolarHBondContact O-CB 3.44Å; R382-E386 WeakPolarHBondContact O-CG 3.3Å; R382-E386 PolarHBondContact O-N 2.91Å
383	Y	98.3	Very high	96.9	Very high	18 Å²	18	41.8 Å²	41.8	7%	0.071	22%	0.22	C	C	.	.	I	π-helix	trans	-59.5	-45.7	176.7	175.9	-93.5	0	0	0	111.5	C347 H351 A379 S380 T381 H387 L388 M480 Y481	C347-Y383 HydrophobicContact CB-CD1 4.03Å; C347-Y383 HydrophobicContact CB-CE1 4.06Å; H351-Y383 PolarHBondContact ND1-OH 2.61Å; A379-Y383 WeakPolarHBondContact O-CB 3.35Å; A379-Y383 PolarHBondContact O-N 2.67Å; S380-Y383 PolarHBondContact O-N 2.71Å; T381-Y383 VanDerWaalsContact C-N 3.34Å; T381-Y383 PolarHBondContact O-N 2.64Å; Y383-H387 HydrophobicContact CD2-CB 3.96Å; Y383-H387 HydrophobicContact CE2-CB 4.13Å; Y383-H387 AromaticContact CE2-CD2 3.32Å; Y383-H387 WeakPolarHBondContact CE2-CD2 3.48Å; Y383-H387 AromaticContact CE2-CG 3.86Å; Y383-H387 AromaticContact CZ-CD2 3.72Å; Y383-H387 WeakPolarHBondContact O-CA 3.49Å; Y383-H387 VanDerWaalsContact O-CB 3.24Å; Y383-H387 WeakPolarHBondContact O-CB 3.41Å; Y383-H387 PolarHBondContact O-N 2.7Å; Y383-H387 VanDerWaalsContact O-N 3.11Å; Y383-L388 HydrophobicContact CD1-CD1 4.26Å; Y383-L388 HydrophobicContact CD1-CG 4.29Å; Y383-L388 HydrophobicContact CE1-CD1 3.52Å; Y383-L388 HydrophobicContact CE1-CD2 4.28Å; Y383-L388 HydrophobicContact CE1-CG 3.63Å; Y383-L388 PolarHBondContact O-N 3.41Å; Y383-M480 HydrophobicContact CD1-CE 4.34Å; Y383-M480 VanDerWaalsContact CD2-O 3.23Å; Y383-M480 WeakPolarHBondContact CD2-O 3.48Å; Y383-M480 HydrophobicContact CE1-CE 3.33Å; Y383-M480 HydrophobicContact CE2-CB 4.17Å; Y383-M480 HydrophobicContact CE2-CE 4.43Å; Y383-M480 WeakPolarHBondContact CE2-O 3.33Å; Y383-M480 WeakPolarHBondContact OH-CE 3.46Å; Y383-Y481 HydrophobicContact CD1-CD1 4.13Å; Y383-Y481 HydrophobicContact CD1-CE1 4.45Å; Y383-Y481 HydrophobicContact CD2-CD1 4.26Å; Y383-Y481 AromaticContact CG-CD1 3.79Å; Y383-Y481 HydrophobicContact CG-CD1 3.79Å
384	L	98.6	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-62.4	-47.5	177.3	-68	167	0	0	0	112	C347 A350 V370 S380 T381 R382 L388 H389 V390 V392	C347-L384 HydrophobicContact CB-CD2 4.47Å; A350-L384 HydrophobicContact CB-CD2 3.77Å; V370-L384 HydrophobicContact CB-CD1 3.97Å; V370-L384 HydrophobicContact CB-CD2 4.42Å; V370-L384 HydrophobicContact CG1-CD1 3.66Å; V370-L384 HydrophobicContact CG2-CD1 4.3Å; V370-L384 HydrophobicContact CG2-CD2 3.83Å; S380-L384 VanDerWaalsContact O-CG 3.26Å; S380-L384 WeakPolarHBondContact O-CG 3.44Å; S380-L384 PolarHBondContact O-N 2.9Å; T381-L384 PolarHBondContact O-N 3.13Å; R382-L384 VanDerWaalsContact C-N 3.33Å; R382-L384 PolarHBondContact O-N 3.25Å; L384-L388 HydrophobicContact CD2-CD1 4.21Å; L384-L388 CarbonylContact O-C 3.55Å; L384-L388 WeakPolarHBondContact O-CB 3.19Å; L384-H389 PolarHBondContact O-N 3.28Å; L384-V390 HydrophobicContact CB-CG2 3.9Å; L384-V390 HydrophobicContact CD2-CG2 3.89Å; L384-V390 WeakPolarHBondContact O-CG2 3.28Å; L384-V390 PolarHBondContact O-N 3.17Å; L384-V390 VanDerWaalsContact O-N 3.08Å; L384-V392 HydrophobicContact CB-CG2 3.54Å; L384-V392 HydrophobicContact CD1-CG2 3.99Å; L384-V392 HydrophobicContact CG-CG2 4.4Å
385	T	98.1	Very high	97.1	Very high	57 Å²	57	42.3 Å²	42.3	35%	0.35	22%	0.223	S	C	.	.	I	π-helix	trans	-80.8	-41.3	-173.7	56.3	0	0	0	0	113.8	T381 R382 H389 V392	T381-T385 HydrophobicContact CG2-CG2 4.42Å; T381-T385 WeakPolarHBondContact O-CG2 3.5Å; T381-T385 PolarHBondContact O-N 3.48Å; T381-T385 PolarHBondContact O-OG1 3.45Å; R382-T385 PolarHBondContact O-N 3.29Å; R382-T385 PolarHBondContact O-OG1 3.19Å; T385-H389 WeakPolarHBondContact O-CA 3.08Å; T385-V392 HydrophobicContact CG2-CB 3.98Å; T385-V392 HydrophobicContact CG2-CG2 3.59Å
386	E	97.4	Very high	97	Very high	128 Å²	128	41.7 Å²	41.7	60%	0.598	22%	0.222	S	C	*	.	I	π-helix	trans	-95.8	-33.5	-171.2	-56.7	173.9	-168.6	0	0	112.5	R382 H389	R382-E386 WeakPolarHBondContact CG-OE1 3.06Å; R382-E386 WeakPolarHBondContact O-CA 3.36Å; R382-E386 WeakPolarHBondContact O-CB 3.44Å; R382-E386 WeakPolarHBondContact O-CG 3.3Å; R382-E386 PolarHBondContact O-N 2.91Å; E386-H389 PolarHBondContact O-CE1 2.95Å; E386-H389 PolarHBondContact O-NE2 3.21Å
387	H	97	Very high	96.8	Very high	117 Å²	117	42.9 Å²	42.9	54%	0.542	23%	0.228	S	C	.	.	I	π-helix	trans	-95	-51.6	-179.5	-173.5	79.3	0	0	0	111.7	Y383 H389	Y383-H387 HydrophobicContact CD2-CB 3.96Å; Y383-H387 HydrophobicContact CE2-CB 4.13Å; Y383-H387 AromaticContact CE2-CD2 3.32Å; Y383-H387 WeakPolarHBondContact CE2-CD2 3.48Å; Y383-H387 AromaticContact CE2-CG 3.86Å; Y383-H387 AromaticContact CZ-CD2 3.72Å; Y383-H387 WeakPolarHBondContact O-CA 3.49Å; Y383-H387 VanDerWaalsContact O-CB 3.24Å; Y383-H387 WeakPolarHBondContact O-CB 3.41Å; Y383-H387 PolarHBondContact O-N 2.7Å; Y383-H387 VanDerWaalsContact O-N 3.11Å; H387-H389 PolarHBondContact O-ND1 3.17Å; H387-H389 VanDerWaalsContact O-ND1 3.07Å
388	L	97	Very high	96.4	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.079	23%	0.233	C	C	.	.	I	π-helix	trans	-83.7	-21	-179.8	-66.2	-171.3	0	0	0	114	A350 H351 Y383 L384 V390	A350-L388 HydrophobicContact CB-CD1 3.78Å; H351-L388 HydrophobicContact CB-CD1 4Å; H351-L388 HydrophobicContact CB-CD2 4.18Å; Y383-L388 HydrophobicContact CD1-CD1 4.26Å; Y383-L388 HydrophobicContact CD1-CG 4.29Å; Y383-L388 HydrophobicContact CE1-CD1 3.52Å; Y383-L388 HydrophobicContact CE1-CD2 4.28Å; Y383-L388 HydrophobicContact CE1-CG 3.63Å; Y383-L388 PolarHBondContact O-N 3.41Å; L384-L388 HydrophobicContact CD2-CD1 4.21Å; L384-L388 CarbonylContact O-C 3.55Å; L384-L388 WeakPolarHBondContact O-CB 3.19Å; L388-V390 VanDerWaalsContact C-N 3.27Å; L388-V390 HydrophobicContact CB-CG1 4.17Å; L388-V390 HydrophobicContact CB-CG2 4.29Å; L388-V390 PolarHBondContact O-N 3.15Å
389	H	96.2	Very high	96.2	Very high	152 Å²	152	41.7 Å²	41.7	70%	0.704	22%	0.223	S	C	*	.			trans	57.2	39.1	-176.8	-53.7	80	0	0	0	112.8	L384 T385 E386 H387	L384-H389 PolarHBondContact O-N 3.28Å; T385-H389 WeakPolarHBondContact O-CA 3.08Å; E386-H389 PolarHBondContact O-CE1 2.95Å; E386-H389 PolarHBondContact O-NE2 3.21Å; H387-H389 PolarHBondContact O-ND1 3.17Å; H387-H389 VanDerWaalsContact O-ND1 3.07Å
390	V	96.9	Very high	96	Very high	15 Å²	15	43.6 Å²	43.6	9%	0.091	23%	0.23	C	C	.	.			trans	-97.9	154.8	174.6	-61.9	0	0	0	0	111.1	V354 I368 V370 L384 L388 V392	V354-V390 HydrophobicContact CG2-CG1 3.55Å; I368-V390 HydrophobicContact CB-CB 4.46Å; I368-V390 HydrophobicContact CB-CG1 4.06Å; I368-V390 HydrophobicContact CD1-CG1 4.42Å; I368-V390 HydrophobicContact CG2-CB 4.29Å; I368-V390 HydrophobicContact CG2-CG1 3.99Å; V370-V390 HydrophobicContact CG2-CG2 4.12Å; L384-V390 HydrophobicContact CB-CG2 3.9Å; L384-V390 HydrophobicContact CD2-CG2 3.89Å; L384-V390 WeakPolarHBondContact O-CG2 3.28Å; L384-V390 PolarHBondContact O-N 3.17Å; L384-V390 VanDerWaalsContact O-N 3.08Å; L388-V390 VanDerWaalsContact C-N 3.27Å; L388-V390 HydrophobicContact CB-CG1 4.17Å; L388-V390 HydrophobicContact CB-CG2 4.29Å; L388-V390 PolarHBondContact O-N 3.15Å; V390-V392 PolarHBondContact O-N 3.33Å
391	S	97.9	Very high	95.8	Very high	67 Å²	67	47.6 Å²	47.6	47%	0.469	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.4	176.5	-65.8	0	0	0	0	110	I368 G369 V370	I368-S391 PolarHBondContact O-N 3.34Å; G369-S391 CarbonylContact C-O 3.59Å; G369-S391 WeakPolarHBondContact CA-O 3.38Å; V370-S391 PolarHBondContact N-O 3.46Å
392	V	98.4	Very high	95.7	Very high	39 Å²	39	45.4 Å²	45.4	24%	0.236	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.7	174.3	-179	0	0	0	0	109.5	V370 Q372 T381 L384 T385 V390	V370-V392 VanDerWaalsContact O-CA 3.28Å; V370-V392 WeakPolarHBondContact O-CA 3.38Å; Q372-V392 HydrophobicContact CG-CG1 4.17Å; T381-V392 HydrophobicContact CG2-CG1 4.3Å; L384-V392 HydrophobicContact CB-CG2 3.54Å; L384-V392 HydrophobicContact CD1-CG2 3.99Å; L384-V392 HydrophobicContact CG-CG2 4.4Å; T385-V392 HydrophobicContact CG2-CB 3.98Å; T385-V392 HydrophobicContact CG2-CG2 3.59Å; V390-V392 PolarHBondContact O-N 3.33Å
393	V	97.9	Very high	95.6	Very high	50 Å²	50	43 Å²	43	30%	0.303	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.8	177.5	-177.2	0	0	0	0	108.9	V370 I371 Q372 V395 F409	V370-V393 PolarHBondContact O-N 2.91Å; I371-V393 CarbonylContact C-O 3.57Å; I371-V393 WeakPolarHBondContact CA-O 3.33Å; I371-V393 HydrophobicContact CD1-CB 3.93Å; I371-V393 HydrophobicContact CD1-CG2 4.23Å; I371-V393 HydrophobicContact CG2-CB 4.45Å; I371-V393 WeakPolarHBondContact CG2-O 3.42Å; Q372-V393 PolarHBondContact N-O 2.99Å; V393-V395 HydrophobicContact CG1-CG1 3.92Å; V393-F409 HydrophobicContact CG2-CE2 4.02Å; V393-F409 HydrophobicContact CG2-CZ 3.79Å
394	C	97.2	Very high	95.4	Very high	29 Å²	29	48.5 Å²	48.5	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.9	173.7	-170.3	0	0	0	0	109.7	Q372 W503	Q372-C394 CarbonylContact O-C 3.57Å; Q372-C394 VanDerWaalsContact O-CA 3.3Å; Q372-C394 WeakPolarHBondContact O-CA 3.42Å; C394-W503 WeakPolarHBondContact O-CZ3 3.34Å
395	V	96.9	Very high	95.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	162.2	-179	-54.1	0	0	0	0	110.9	I371 Q372 V393 H401 L402 A405 W503	I371-V395 HydrophobicContact CG2-CB 4.31Å; I371-V395 HydrophobicContact CG2-CG1 3.54Å; I371-V395 HydrophobicContact CG2-CG2 3.74Å; Q372-V395 PolarHBondContact O-N 3.2Å; V393-V395 HydrophobicContact CG1-CG1 3.92Å; V395-H401 HydrophobicContact CB-CB 4.11Å; V395-H401 HydrophobicContact CG2-CB 3.94Å; V395-L402 HydrophobicContact CG2-CB 4.46Å; V395-L402 HydrophobicContact CG2-CD2 3.58Å; V395-L402 HydrophobicContact CG2-CG 3.78Å; V395-A405 HydrophobicContact CG1-CB 3.72Å; V395-W503 HydrophobicContact CB-CH2 3.89Å; V395-W503 HydrophobicContact CB-CZ3 4.28Å; V395-W503 HydrophobicContact CG1-CH2 3.68Å; V395-W503 HydrophobicContact CG1-CZ3 4.14Å
396	P	94.3	Very high	95.4	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.071	24%	0.242	C	C	.	.			trans	-58.9	149.6	172	7.6	-13.1	0	0	0	112	H401 W503 E505	P396-H401 HydrophobicContact CG-CB 4.33Å; P396-H401 WeakPolarHBondContact O-CB 3.48Å; P396-H401 PolarHBondContact O-CD2 2.88Å; P396-W503 WeakPolarHBondContact CB-O 3.37Å; P396-W503 WeakPolarHBondContact CD-O 3.5Å; P396-W503 HydrophobicContact CG-CD2 4.19Å; P396-W503 HydrophobicContact CG-CZ2 4.15Å; P396-W503 WeakPolarHBondContact CG-O 3.38Å; P396-E505 HydrophobicContact CB-CG 3.94Å
397	T	90.3	Very high	95.4	Very high	33 Å²	33	45.9 Å²	45.9	20%	0.202	24%	0.239	C	C	.	.	S	Bend	trans	-56.2	138	-178.8	-51.2	0	0	0	0	111.4	Y375 E505	Y375-T397 HydrophobicContact CD2-CG2 4.36Å; Y375-T397 HydrophobicContact CE2-CG2 4.11Å; Y375-T397 WeakPolarHBondContact CE2-OG1 3.49Å; T397-E505 WeakPolarHBondContact CB-OE2 3.4Å; T397-E505 PolarHBondContact N-OE2 3.08Å; T397-E505 PolarHBondContact OG1-OE2 3.26Å
398	G	89	Confident	95.4	Very high	14 Å²	14	44.7 Å²	44.7	14%	0.144	24%	0.244	C	C	.	.	S	Bend	trans	117.1	131.9	179.4	0	0	0	0	0	113	K400 H401 L402 E416	G398-K400 PolarHBondContact O-N 3.43Å; G398-H401 PolarHBondContact O-N 3.24Å; G398-L402 PolarHBondContact O-N 3.37Å; G398-E416 WeakPolarHBondContact CA-OE1 3.46Å; G398-E416 PolarHBondContact N-OE1 3.01Å
399	V	91.2	Very high	95.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-22.5	-173.8	-70.5	0	0	0	0	116	T29 M87 L402 H403 Y414 H420	T29-V399 HydrophobicContact CG2-CG2 3.54Å; M87-V399 HydrophobicContact CE-CB 4.27Å; M87-V399 HydrophobicContact CE-CG2 3.64Å; M87-V399 HydrophobicContact SD-CG2 3.72Å; V399-L402 HydrophobicContact CG1-CD1 4.32Å; V399-L402 PolarHBondContact O-N 2.84Å; V399-H403 WeakPolarHBondContact O-CB 3.49Å; V399-H403 PolarHBondContact O-N 3.15Å; V399-Y414 HydrophobicContact CB-CE2 4.32Å; V399-Y414 HydrophobicContact CG1-CE2 4.05Å; V399-H420 HydrophobicContact CG1-CB 4.25Å; V399-H420 WeakPolarHBondContact CG1-CE1 3.43Å; V399-H420 VanDerWaalsContact CG1-CG 3.48Å; V399-H420 WeakPolarHBondContact CG1-ND1 3.4Å; V399-H420 VanDerWaalsContact CG2-CE1 3.5Å; V399-H420 WeakPolarHBondContact CG2-CE1 3.32Å
400	K	90.7	Very high	95.5	Very high	45 Å²	45	38.7 Å²	38.7	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-42.8	174.2	-69.8	-172.3	170.9	-159.7	0	112	M87 L88 E93 G398 H404	M87-K400 HydrophobicContact CE-CB 4.31Å; M87-K400 HydrophobicContact CE-CG 3.45Å; M87-K400 VanDerWaalsContact CE-CG 3.45Å; M87-K400 HydrophobicContact SD-CD 4.42Å; M87-K400 HydrophobicContact SD-CG 3.68Å; L88-K400 PolarHBondContact O-NZ 2.69Å; E93-K400 IonicContact OE1-NZ 3.91Å; E93-K400 PolarHBondContact OE1-NZ 3.05Å; G398-K400 PolarHBondContact O-N 3.43Å; K400-H404 WeakPolarHBondContact O-CB 3.13Å; K400-H404 PolarHBondContact O-N 2.61Å; K400-H404 VanDerWaalsContact O-N 3.13Å
401	H	93.5	Very high	95.5	Very high	84 Å²	84	38 Å²	38	39%	0.389	21%	0.212	S	C	.	.	H	α-helix	trans	-70.8	-41.6	178.3	-61.8	-56	0	0	0	111.3	V395 P396 G398 A405	V395-H401 HydrophobicContact CB-CB 4.11Å; V395-H401 HydrophobicContact CG2-CB 3.94Å; P396-H401 HydrophobicContact CG-CB 4.33Å; P396-H401 WeakPolarHBondContact O-CB 3.48Å; P396-H401 PolarHBondContact O-CD2 2.88Å; G398-H401 PolarHBondContact O-N 3.24Å; H401-A405 WeakPolarHBondContact O-CB 3.41Å; H401-A405 PolarHBondContact O-N 3.47Å; H401-A405 VanDerWaalsContact O-N 3.08Å
402	L	96.5	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-52	177.2	-69.9	159.9	0	0	0	111.6	I371 T373 V395 G398 V399 H404 A405 A406 Y414 E416	I371-L402 HydrophobicContact CB-CD2 3.99Å; I371-L402 HydrophobicContact CG2-CD2 3.73Å; T373-L402 HydrophobicContact CG2-CD1 3.92Å; T373-L402 HydrophobicContact CG2-CD2 3.93Å; T373-L402 HydrophobicContact CG2-CG 4.19Å; V395-L402 HydrophobicContact CG2-CB 4.46Å; V395-L402 HydrophobicContact CG2-CD2 3.58Å; V395-L402 HydrophobicContact CG2-CG 3.78Å; G398-L402 PolarHBondContact O-N 3.37Å; V399-L402 HydrophobicContact CG1-CD1 4.32Å; V399-L402 PolarHBondContact O-N 2.84Å; L402-H404 PolarHBondContact O-N 3.26Å; L402-A405 PolarHBondContact O-N 3.46Å; L402-A406 WeakPolarHBondContact O-CB 3.49Å; L402-A406 PolarHBondContact O-N 3.41Å; L402-Y414 HydrophobicContact CB-CD2 3.57Å; L402-Y414 HydrophobicContact CB-CE2 4.25Å; L402-Y414 HydrophobicContact CB-CG 3.76Å; L402-Y414 HydrophobicContact CD1-CD2 4.19Å; L402-Y414 HydrophobicContact CG-CD2 4.38Å; L402-E416 HydrophobicContact CD1-CG 3.33Å
403	H	95.1	Very high	95.6	Very high	29 Å²	29	32.9 Å²	32.9	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-46	-180	-170.6	102.8	0	0	0	111.6	V399 A405 A406 Q407 Y414 L424	V399-H403 WeakPolarHBondContact O-CB 3.49Å; V399-H403 PolarHBondContact O-N 3.15Å; H403-A405 PolarHBondContact O-N 2.88Å; H403-A406 PolarHBondContact O-N 2.9Å; H403-Q407 PolarHBondContact CD2-NE2 3.28Å; H403-Q407 PolarHBondContact NE2-NE2 3.44Å; H403-Q407 WeakPolarHBondContact O-CG 3.49Å; H403-Q407 PolarHBondContact O-N 3.22Å; H403-Y414 HydrophobicContact CB-CE1 4.04Å; H403-Y414 AromaticContact ND1-CE1 3.82Å; H403-Y414 AromaticContact ND1-CZ 3.99Å; H403-Y414 PolarHBondContact ND1-OH 3.03Å; H403-L424 VanDerWaalsContact CE1-CD2 3.43Å; H403-L424 WeakPolarHBondContact CE1-CD2 3.4Å; H403-L424 WeakPolarHBondContact O-CD1 3.18Å
404	H	94.4	Very high	95.6	Very high	133 Å²	133	30.6 Å²	30.6	62%	0.616	16%	0.164	S	C	*	.	H	α-helix	trans	-60.7	-43.8	177.9	178.5	-83.9	0	0	0	112.3	K400 L402 Q407	K400-H404 WeakPolarHBondContact O-CB 3.13Å; K400-H404 PolarHBondContact O-N 2.61Å; K400-H404 VanDerWaalsContact O-N 3.13Å; L402-H404 PolarHBondContact O-N 3.26Å; H404-Q407 PolarHBondContact O-N 2.91Å
405	A	97.4	Very high	95.7	Very high	12 Å²	12	29.3 Å²	29.3	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-68.6	-36.1	178	0	0	0	0	0	112.4	I371 V395 H401 L402 H403 Q407 S408	I371-A405 HydrophobicContact CD1-CB 4.01Å; I371-A405 HydrophobicContact CG1-CB 4.2Å; I371-A405 HydrophobicContact CG2-CB 3.77Å; V395-A405 HydrophobicContact CG1-CB 3.72Å; H401-A405 WeakPolarHBondContact O-CB 3.41Å; H401-A405 PolarHBondContact O-N 3.47Å; H401-A405 VanDerWaalsContact O-N 3.08Å; L402-A405 PolarHBondContact O-N 3.46Å; H403-A405 PolarHBondContact O-N 2.88Å; A405-Q407 PolarHBondContact O-N 3.36Å; A405-S408 WeakPolarHBondContact O-CB 3.19Å; A405-S408 PolarHBondContact O-N 3.46Å; A405-S408 VanDerWaalsContact O-N 3.13Å; A405-S408 PolarHBondContact O-OG 2.85Å
406	A	98.1	Very high	95.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-29.5	177.9	0	0	0	0	0	112.8	I371 L402 H403 S408 F409 G412 Y414 L424	I371-A406 HydrophobicContact CG1-CB 3.84Å; L402-A406 WeakPolarHBondContact O-CB 3.49Å; L402-A406 PolarHBondContact O-N 3.41Å; H403-A406 PolarHBondContact O-N 2.9Å; A406-S408 PolarHBondContact O-N 3.38Å; A406-S408 VanDerWaalsContact O-N 3.07Å; A406-F409 PolarHBondContact O-N 3.35Å; A406-G412 WeakPolarHBondContact O-CA 3.28Å; A406-Y414 HydrophobicContact CB-CD1 3.9Å; A406-L424 HydrophobicContact CB-CB 4.42Å; A406-L424 HydrophobicContact CB-CD1 3.72Å; A406-L424 HydrophobicContact CB-CG 4.09Å
407	Q	96.8	Very high	95.6	Very high	117 Å²	117	30.1 Å²	30.1	55%	0.547	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.2	176.4	-68.7	173	-16	0	0	114.2	H403 H404 A405 F409 L424	H403-Q407 PolarHBondContact CD2-NE2 3.28Å; H403-Q407 PolarHBondContact NE2-NE2 3.44Å; H403-Q407 WeakPolarHBondContact O-CG 3.49Å; H403-Q407 PolarHBondContact O-N 3.22Å; H404-Q407 PolarHBondContact O-N 2.91Å; A405-Q407 PolarHBondContact O-N 3.36Å; Q407-F409 VanDerWaalsContact C-N 3.25Å; Q407-F409 PolarHBondContact O-N 2.9Å; Q407-L424 HydrophobicContact CG-CD1 3.81Å
408	S	97.7	Very high	95.8	Very high	93 Å²	93	30.4 Å²	30.4	65%	0.65	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	0.2	179	-57.3	0	0	0	0	114.1	A405 A406	A405-S408 WeakPolarHBondContact O-CB 3.19Å; A405-S408 PolarHBondContact O-N 3.46Å; A405-S408 VanDerWaalsContact O-N 3.13Å; A405-S408 PolarHBondContact O-OG 2.85Å; A406-S408 PolarHBondContact O-N 3.38Å; A406-S408 VanDerWaalsContact O-N 3.07Å
409	F	98.2	Very high	96.2	Very high	27 Å²	27	29.8 Å²	29.8	12%	0.118	15%	0.153	C	C	.	.	S	Bend	trans	-126	157.1	-174.7	-60.8	-85.9	0	0	0	111.6	G369 I371 V393 A406 Q407	G369-F409 VanDerWaalsContact CA-CD1 3.41Å; I371-F409 HydrophobicContact CD1-CD2 4.08Å; I371-F409 HydrophobicContact CD1-CE2 3.66Å; V393-F409 HydrophobicContact CG2-CE2 4.02Å; V393-F409 HydrophobicContact CG2-CZ 3.79Å; A406-F409 PolarHBondContact O-N 3.35Å; Q407-F409 VanDerWaalsContact C-N 3.25Å; Q407-F409 PolarHBondContact O-N 2.9Å
410	D	96.7	Very high	96.4	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.07	16%	0.156	C	C	.	.	S	Bend	trans	-65.4	-43.6	169	-66.2	-64.2	0	0	0	110.7	L366 T367 F425 S426 H428 I429	L366-D410 WeakPolarHBondContact CA-OD2 3.29Å; L366-D410 HydrophobicContact CD2-CB 4.18Å; T367-D410 PolarHBondContact N-OD2 3.11Å; T367-D410 WeakPolarHBondContact O-CB 3.33Å; T367-D410 PolarHBondContact O-N 3.39Å; T367-D410 PolarHBondContact OG1-N 3.46Å; T367-D410 PolarHBondContact OG1-OD2 3.43Å; D410-F425 VanDerWaalsContact O-CA 3.32Å; D410-F425 WeakPolarHBondContact O-CA 3.29Å; D410-S426 PolarHBondContact O-N 3.04Å; D410-S426 VanDerWaalsContact O-N 3.17Å; D410-S426 PolarHBondContact OD1-OG 3.42Å; D410-H428 IonicContact OD1-CG 3.81Å; D410-H428 IonicContact OD1-ND1 2.66Å; D410-H428 PolarHBondContact OD1-ND1 3.24Å; D410-H428 IonicContact OD2-ND1 3.45Å; D410-I429 HydrophobicContact CB-CB 4.09Å; D410-I429 HydrophobicContact CB-CG2 4.28Å; D410-I429 WeakPolarHBondContact O-CG2 3.49Å
411	F	98.1	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	96.6	168.6	-63.2	-85	0	0	0	109.2	L353 L357 T367 I368 G369 F425 I429 L442 I446	L353-F411 HydrophobicContact CD1-CB 3.82Å; L353-F411 HydrophobicContact CD1-CD1 3.68Å; L353-F411 HydrophobicContact CD1-CE1 4.43Å; L353-F411 HydrophobicContact CD1-CG 3.81Å; L353-F411 HydrophobicContact CD2-CD1 3.77Å; L353-F411 HydrophobicContact CD2-CE1 3.66Å; L353-F411 HydrophobicContact CD2-CG 4.35Å; L353-F411 HydrophobicContact CD2-CZ 4.14Å; L353-F411 HydrophobicContact CG-CD1 4.37Å; L357-F411 HydrophobicContact CD1-CD2 4.29Å; L357-F411 HydrophobicContact CD1-CE2 4.01Å; L357-F411 HydrophobicContact CD2-CE2 4.15Å; L357-F411 HydrophobicContact CG-CE2 4.5Å; T367-F411 PolarHBondContact O-N 3.06Å; I368-F411 HydrophobicContact CG1-CB 4.22Å; I368-F411 HydrophobicContact CG1-CD2 4.18Å; G369-F411 PolarHBondContact N-O 2.84Å; F411-F425 AromaticContact CD1-CD1 3.84Å; F411-F425 HydrophobicContact CD1-CD1 3.84Å; F411-F425 AromaticContact CD1-CE1 3.79Å; F411-F425 HydrophobicContact CD1-CE1 3.79Å; F411-F425 HydrophobicContact CE1-CD1 4.06Å; F411-F425 HydrophobicContact CE1-CE1 4.02Å; F411-I429 HydrophobicContact CE1-CD1 4.49Å; F411-I429 HydrophobicContact CE1-CG1 3.98Å; F411-I429 HydrophobicContact CE2-CD1 3.6Å; F411-I429 HydrophobicContact CE2-CG1 3.7Å; F411-I429 HydrophobicContact CZ-CD1 3.43Å; F411-I429 VanDerWaalsContact CZ-CD1 3.43Å; F411-I429 HydrophobicContact CZ-CG1 3.34Å; F411-L442 HydrophobicContact CE1-CD1 3.88Å; F411-L442 HydrophobicContact CE2-CD1 4.23Å; F411-L442 HydrophobicContact CZ-CD1 3.37Å; F411-L442 HydrophobicContact CZ-CD2 4.14Å; F411-L442 HydrophobicContact CZ-CG 3.9Å; F411-I446 HydrophobicContact CE1-CD1 4.49Å; F411-I446 HydrophobicContact CE1-CG1 4.45Å
412	G	98.6	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	96.2	175.8	0	0	0	0	0	111.1	A406 V423 L424	A406-G412 WeakPolarHBondContact O-CA 3.28Å; G412-V423 CarbonylContact O-C 3.57Å; G412-V423 WeakPolarHBondContact O-CA 3.32Å; G412-L424 PolarHBondContact N-O 3.1Å; G412-L424 PolarHBondContact O-N 2.81Å
413	I	98.8	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.3	180	-52.7	170.9	0	0	0	108.5	F349 A350 L353 I368 G369 V370 I371 F415 V423	F349-I413 HydrophobicContact CB-CD1 4.02Å; A350-I413 HydrophobicContact CB-CD1 3.98Å; L353-I413 HydrophobicContact CD1-CD1 3.89Å; L353-I413 HydrophobicContact CD1-CG1 4.42Å; I368-I413 HydrophobicContact CG2-CD1 4.17Å; G369-I413 PolarHBondContact O-N 3.21Å; V370-I413 CarbonylContact C-O 3.49Å; V370-I413 WeakPolarHBondContact CA-O 3.42Å; V370-I413 HydrophobicContact CG2-CB 4.32Å; V370-I413 HydrophobicContact CG2-CD1 4.21Å; I371-I413 PolarHBondContact N-O 2.99Å; I413-F415 HydrophobicContact CG2-CD2 4.07Å; I413-F415 HydrophobicContact CG2-CE2 4.2Å; I413-V423 HydrophobicContact CB-CG2 4.47Å; I413-V423 HydrophobicContact CG1-CG1 3.96Å; I413-V423 HydrophobicContact CG1-CG2 4.13Å; I413-V423 HydrophobicContact CG2-CG2 4.26Å
414	Y	98.5	Very high	97.2	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.3	169.2	74.9	-93.5	0	0	0	111	V399 L402 H403 A406 G421 T422 L424	V399-Y414 HydrophobicContact CB-CE2 4.32Å; V399-Y414 HydrophobicContact CG1-CE2 4.05Å; L402-Y414 HydrophobicContact CB-CD2 3.57Å; L402-Y414 HydrophobicContact CB-CE2 4.25Å; L402-Y414 HydrophobicContact CB-CG 3.76Å; L402-Y414 HydrophobicContact CD1-CD2 4.19Å; L402-Y414 HydrophobicContact CG-CD2 4.38Å; H403-Y414 HydrophobicContact CB-CE1 4.04Å; H403-Y414 AromaticContact ND1-CE1 3.82Å; H403-Y414 AromaticContact ND1-CZ 3.99Å; H403-Y414 PolarHBondContact ND1-OH 3.03Å; A406-Y414 HydrophobicContact CB-CD1 3.9Å; Y414-G421 CarbonylContact O-C 3.43Å; Y414-G421 WeakPolarHBondContact O-CA 3.27Å; Y414-T422 HydrophobicContact CE1-CG2 3.62Å; Y414-T422 PolarHBondContact N-O 3.22Å; Y414-T422 PolarHBondContact O-N 2.82Å; Y414-T422 VanDerWaalsContact O-O 3.11Å; Y414-T422 WeakPolarHBondContact OH-CG2 3.4Å; Y414-L424 HydrophobicContact CE1-CD1 4.43Å; Y414-L424 HydrophobicContact CE1-CD2 4.41Å; Y414-L424 HydrophobicContact CE1-CG 4.21Å
415	F	98.3	Very high	97.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	131.4	166.6	-72.1	-101.3	0	0	0	108.8	G342 I345 S346 F349 I413 H420 G421	G342-F415 WeakPolarHBondContact O-CB 3.46Å; I345-F415 HydrophobicContact CB-CD1 4.31Å; I345-F415 HydrophobicContact CB-CE1 4.47Å; I345-F415 HydrophobicContact CB-CG 4.4Å; I345-F415 HydrophobicContact CD1-CD1 4.36Å; I345-F415 HydrophobicContact CD1-CE1 4.42Å; I345-F415 HydrophobicContact CG2-CD1 4.04Å; I345-F415 HydrophobicContact CG2-CD2 4.09Å; I345-F415 HydrophobicContact CG2-CE1 3.74Å; I345-F415 HydrophobicContact CG2-CE2 3.8Å; I345-F415 HydrophobicContact CG2-CG 4.24Å; I345-F415 HydrophobicContact CG2-CZ 3.63Å; S346-F415 WeakPolarHBondContact OG-CB 2.95Å; S346-F415 WeakPolarHBondContact OG-CD2 3.25Å; F349-F415 AromaticContact CD2-CE2 3.86Å; F349-F415 HydrophobicContact CD2-CE2 3.86Å; F349-F415 HydrophobicContact CD2-CZ 4.3Å; F349-F415 AromaticContact CE2-CE2 3.76Å; F349-F415 HydrophobicContact CE2-CE2 3.76Å; F349-F415 AromaticContact CE2-CZ 3.71Å; F349-F415 HydrophobicContact CE2-CZ 3.71Å; I413-F415 HydrophobicContact CG2-CD2 4.07Å; I413-F415 HydrophobicContact CG2-CE2 4.2Å; F415-H420 CarbonylContact C-O 3.39Å; F415-H420 WeakPolarHBondContact CA-O 3.44Å; F415-G421 VanDerWaalsContact CD1-CA 3.45Å; F415-G421 VanDerWaalsContact CE1-C 3.45Å; F415-G421 WeakPolarHBondContact CE1-O 3.31Å
416	E	96.1	Very high	97.4	Very high	17 Å²	17	19.1 Å²	19.1	8%	0.079	11%	0.106	C	C	.	.			trans	-73.3	151.2	164.7	-70.3	-171.8	137	0	0	109.7	G342 T373 G398 L402 N418 G419 H420	G342-E416 WeakPolarHBondContact CA-O 3.46Å; T373-E416 HydrophobicContact CG2-CG 4.21Å; G398-E416 WeakPolarHBondContact CA-OE1 3.46Å; G398-E416 PolarHBondContact N-OE1 3.01Å; L402-E416 HydrophobicContact CD1-CG 3.33Å; E416-N418 WeakPolarHBondContact CB-OD1 3.32Å; E416-N418 PolarHBondContact O-N 2.77Å; E416-N418 PolarHBondContact OE2-ND2 3.16Å; E416-G419 PolarHBondContact O-N 3.19Å; E416-H420 PolarHBondContact N-O 3.23Å
417	A	94.6	Very high	97.3	Very high	11 Å²	11	27.5 Å²	27.5	9%	0.091	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-13.1	177.8	0	0	0	0	0	114.1	K268 D341 G419	K268-A417 WeakPolarHBondContact CD-O 3.43Å; K268-A417 WeakPolarHBondContact CE-O 3.44Å; K268-A417 PolarHBondContact NZ-O 3.4Å; D341-A417 WeakPolarHBondContact CB-O 3.47Å; A417-G419 VanDerWaalsContact C-N 3.34Å
418	N	94.2	Very high	97.1	Very high	40 Å²	40	26.2 Å²	26.2	21%	0.214	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0	173.7	66.1	5.7	0	0	0	113.7	E416 H420	E416-N418 WeakPolarHBondContact CB-OD1 3.32Å; E416-N418 PolarHBondContact O-N 2.77Å; E416-N418 PolarHBondContact OE2-ND2 3.16Å; N418-H420 PolarHBondContact OD1-N 2.86Å; N418-H420 VanDerWaalsContact OD1-N 3.13Å
419	G	96.6	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	96.9	-1.7	176.1	0	0	0	0	0	115.6	R299 L300 E416 A417 G421	R299-G419 WeakPolarHBondContact CA-O 3.36Å; L300-G419 PolarHBondContact N-O 3.44Å; L300-G419 WeakPolarHBondContact O-CA 3.47Å; E416-G419 PolarHBondContact O-N 3.19Å; A417-G419 VanDerWaalsContact C-N 3.34Å; G419-G421 PolarHBondContact O-N 3.09Å
420	H	95.8	Very high	96.8	Very high	13 Å²	13	23.6 Å²	23.6	6%	0.06	12%	0.116	C	C	.	.			trans	-79.7	114.5	175.5	-167.4	173.9	0	0	0	110.1	R299 V399 F415 E416 N418	R299-H420 HydrophobicContact CG-CB 4.06Å; V399-H420 HydrophobicContact CG1-CB 4.25Å; V399-H420 WeakPolarHBondContact CG1-CE1 3.43Å; V399-H420 VanDerWaalsContact CG1-CG 3.48Å; V399-H420 WeakPolarHBondContact CG1-ND1 3.4Å; V399-H420 VanDerWaalsContact CG2-CE1 3.5Å; V399-H420 WeakPolarHBondContact CG2-CE1 3.32Å; F415-H420 CarbonylContact C-O 3.39Å; F415-H420 WeakPolarHBondContact CA-O 3.44Å; E416-H420 PolarHBondContact N-O 3.23Å; N418-H420 PolarHBondContact OD1-N 2.86Å; N418-H420 VanDerWaalsContact OD1-N 3.13Å
421	G	97.7	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	167.5	-179.8	0	0	0	0	0	114.6	Y414 F415 G419 G454 D459	Y414-G421 CarbonylContact O-C 3.43Å; Y414-G421 WeakPolarHBondContact O-CA 3.27Å; F415-G421 VanDerWaalsContact CD1-CA 3.45Å; F415-G421 VanDerWaalsContact CE1-C 3.45Å; F415-G421 WeakPolarHBondContact CE1-O 3.31Å; G419-G421 PolarHBondContact O-N 3.09Å; G421-G454 WeakPolarHBondContact O-CA 3.47Å; G421-D459 VanDerWaalsContact O-OD2 3.13Å
422	T	98.2	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-174.6	171.7	-174.2	0	0	0	0	109.1	Y414 L424 N450	Y414-T422 HydrophobicContact CE1-CG2 3.62Å; Y414-T422 PolarHBondContact N-O 3.22Å; Y414-T422 PolarHBondContact O-N 2.82Å; Y414-T422 VanDerWaalsContact O-O 3.11Å; Y414-T422 WeakPolarHBondContact OH-CG2 3.4Å; T422-L424 HydrophobicContact CG2-CD2 4.2Å; T422-N450 PolarHBondContact OG1-O 2.84Å
423	V	98.7	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.5	172.5	-169.9	0	0	0	0	110	F349 G412 I413 F425 F445 T449 T451	F349-V423 HydrophobicContact CD2-CG2 3.88Å; F349-V423 HydrophobicContact CE2-CG2 4.38Å; G412-V423 CarbonylContact O-C 3.57Å; G412-V423 WeakPolarHBondContact O-CA 3.32Å; I413-V423 HydrophobicContact CB-CG2 4.47Å; I413-V423 HydrophobicContact CG1-CG1 3.96Å; I413-V423 HydrophobicContact CG1-CG2 4.13Å; I413-V423 HydrophobicContact CG2-CG2 4.26Å; V423-F425 HydrophobicContact CB-CE1 4.27Å; V423-F425 HydrophobicContact CB-CZ 4.22Å; V423-F425 HydrophobicContact CG1-CD1 4.3Å; V423-F425 HydrophobicContact CG1-CE1 3.62Å; V423-F425 HydrophobicContact CG1-CZ 4.08Å; V423-F445 HydrophobicContact CB-CE1 4.27Å; V423-F445 HydrophobicContact CG1-CE1 4.13Å; V423-F445 HydrophobicContact CG2-CE1 4.07Å; V423-F445 HydrophobicContact CG2-CZ 4.04Å; V423-T449 HydrophobicContact CB-CG2 4.04Å; V423-T449 WeakPolarHBondContact O-CG2 3.46Å; V423-T451 WeakPolarHBondContact O-CG2 3.29Å
424	L	98.2	Very high	95.9	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.063	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	151.1	173	-54.2	-173.2	0	0	0	110.8	H403 A406 Q407 G412 Y414 T422 T451	H403-L424 VanDerWaalsContact CE1-CD2 3.43Å; H403-L424 WeakPolarHBondContact CE1-CD2 3.4Å; H403-L424 WeakPolarHBondContact O-CD1 3.18Å; A406-L424 HydrophobicContact CB-CB 4.42Å; A406-L424 HydrophobicContact CB-CD1 3.72Å; A406-L424 HydrophobicContact CB-CG 4.09Å; Q407-L424 HydrophobicContact CG-CD1 3.81Å; G412-L424 PolarHBondContact N-O 3.1Å; G412-L424 PolarHBondContact O-N 2.81Å; Y414-L424 HydrophobicContact CE1-CD1 4.43Å; Y414-L424 HydrophobicContact CE1-CD2 4.41Å; Y414-L424 HydrophobicContact CE1-CG 4.21Å; T422-L424 HydrophobicContact CG2-CD2 4.2Å; L424-T451 WeakPolarHBondContact CD2-O 3.43Å
425	F	97.9	Very high	95.5	Very high	30 Å²	30	43.7 Å²	43.7	13%	0.132	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132	-179.1	-52.1	-58.7	0	0	0	110.9	D410 F411 V423 I429 L430 F445 I446 T449 T451	D410-F425 VanDerWaalsContact O-CA 3.32Å; D410-F425 WeakPolarHBondContact O-CA 3.29Å; F411-F425 AromaticContact CD1-CD1 3.84Å; F411-F425 HydrophobicContact CD1-CD1 3.84Å; F411-F425 AromaticContact CD1-CE1 3.79Å; F411-F425 HydrophobicContact CD1-CE1 3.79Å; F411-F425 HydrophobicContact CE1-CD1 4.06Å; F411-F425 HydrophobicContact CE1-CE1 4.02Å; V423-F425 HydrophobicContact CB-CE1 4.27Å; V423-F425 HydrophobicContact CB-CZ 4.22Å; V423-F425 HydrophobicContact CG1-CD1 4.3Å; V423-F425 HydrophobicContact CG1-CE1 3.62Å; V423-F425 HydrophobicContact CG1-CZ 4.08Å; F425-I429 HydrophobicContact CB-CG2 3.74Å; F425-L430 HydrophobicContact CB-CD1 4.43Å; F425-L430 HydrophobicContact CB-CD2 3.84Å; F425-L430 HydrophobicContact CB-CG 3.96Å; F425-L430 HydrophobicContact CD2-CD2 4.26Å; F425-L430 HydrophobicContact CG-CD2 4.31Å; F425-F445 HydrophobicContact CE1-CD1 4.2Å; F425-F445 HydrophobicContact CE1-CE1 4.19Å; F425-F445 HydrophobicContact CZ-CD1 4.18Å; F425-F445 HydrophobicContact CZ-CE1 4.24Å; F425-I446 HydrophobicContact CD1-CG1 4.02Å; F425-I446 HydrophobicContact CD2-CG1 4.33Å; F425-I446 HydrophobicContact CD2-CG2 4.02Å; F425-I446 HydrophobicContact CE1-CG1 3.8Å; F425-I446 HydrophobicContact CE2-CB 4.17Å; F425-I446 HydrophobicContact CE2-CG1 4.13Å; F425-I446 HydrophobicContact CE2-CG2 3.97Å; F425-I446 HydrophobicContact CG-CG1 4.29Å; F425-I446 HydrophobicContact CZ-CB 4.23Å; F425-I446 HydrophobicContact CZ-CG1 3.87Å; F425-T449 HydrophobicContact CE2-CG2 3.89Å; F425-T449 HydrophobicContact CZ-CG2 3.9Å; F425-T451 HydrophobicContact CD2-CG2 3.64Å; F425-T451 HydrophobicContact CE2-CG2 3.67Å
426	S	97.1	Very high	95.2	Very high	26 Å²	26	44.8 Å²	44.8	18%	0.182	22%	0.223	C	C	.	.			trans	-67.3	158.9	169.2	83.5	0	0	0	0	110.9	D410 H428 I429 L430	D410-S426 PolarHBondContact O-N 3.04Å; D410-S426 VanDerWaalsContact O-N 3.17Å; D410-S426 PolarHBondContact OD1-OG 3.42Å; S426-H428 PolarHBondContact O-N 3.11Å; S426-H428 WeakPolarHBondContact OG-CB 3.49Å; S426-H428 PolarHBondContact OG-N 3.26Å; S426-H428 VanDerWaalsContact OG-N 3.16Å; S426-I429 WeakPolarHBondContact O-CG2 3.34Å; S426-I429 PolarHBondContact O-N 3.42Å; S426-I429 PolarHBondContact OG-N 2.73Å; S426-I429 VanDerWaalsContact OG-N 3.14Å; S426-L430 WeakPolarHBondContact O-CG 3.22Å; S426-L430 PolarHBondContact O-N 2.9Å
427	K	95.8	Very high	95.1	Very high	176 Å²	176	49.2 Å²	49.2	77%	0.765	25%	0.247	S	C	*	.	H	α-helix	trans	-59.1	-31.3	170.1	-67.7	-177.5	179.4	178.7	0	112.4	L430 N431	K427-L430 PolarHBondContact O-N 2.82Å; K427-N431 PolarHBondContact O-N 3Å; K427-N431 VanDerWaalsContact O-N 3.09Å; K427-N431 PolarHBondContact O-ND2 3.43Å; K427-N431 PolarHBondContact O-OD1 2.96Å
428	H	93.8	Very high	95	Very high	89 Å²	89	51.8 Å²	51.8	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-48	-179.2	171.1	-117.7	0	0	0	111	L366 D410 S426 N431 F432	L366-H428 VanDerWaalsContact CD2-CE1 3.47Å; L366-H428 WeakPolarHBondContact CD2-CE1 3.32Å; D410-H428 IonicContact OD1-CG 3.81Å; D410-H428 IonicContact OD1-ND1 2.66Å; D410-H428 PolarHBondContact OD1-ND1 3.24Å; D410-H428 IonicContact OD2-ND1 3.45Å; S426-H428 PolarHBondContact O-N 3.11Å; S426-H428 WeakPolarHBondContact OG-CB 3.49Å; S426-H428 PolarHBondContact OG-N 3.26Å; S426-H428 VanDerWaalsContact OG-N 3.16Å; H428-N431 PolarHBondContact O-N 3.17Å; H428-F432 PolarHBondContact O-N 2.73Å
429	I	94.4	Very high	94.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-34.7	177.3	-175.6	62.4	0	0	0	113	L366 D410 F411 F425 S426 F432 A433 L442 I446	L366-I429 HydrophobicContact CD1-CD1 3.86Å; L366-I429 HydrophobicContact CD2-CB 4.44Å; L366-I429 HydrophobicContact CD2-CD1 3.9Å; D410-I429 HydrophobicContact CB-CB 4.09Å; D410-I429 HydrophobicContact CB-CG2 4.28Å; D410-I429 WeakPolarHBondContact O-CG2 3.49Å; F411-I429 HydrophobicContact CE1-CD1 4.49Å; F411-I429 HydrophobicContact CE1-CG1 3.98Å; F411-I429 HydrophobicContact CE2-CD1 3.6Å; F411-I429 HydrophobicContact CE2-CG1 3.7Å; F411-I429 HydrophobicContact CZ-CD1 3.43Å; F411-I429 VanDerWaalsContact CZ-CD1 3.43Å; F411-I429 HydrophobicContact CZ-CG1 3.34Å; F425-I429 HydrophobicContact CB-CG2 3.74Å; S426-I429 WeakPolarHBondContact O-CG2 3.34Å; S426-I429 PolarHBondContact O-N 3.42Å; S426-I429 PolarHBondContact OG-N 2.73Å; S426-I429 VanDerWaalsContact OG-N 3.14Å; I429-F432 HydrophobicContact CD1-CB 4.32Å; I429-F432 HydrophobicContact CD1-CD1 3.87Å; I429-F432 HydrophobicContact CD1-CG 4.44Å; I429-F432 WeakPolarHBondContact O-CB 3.2Å; I429-F432 PolarHBondContact O-N 2.96Å; I429-A433 WeakPolarHBondContact O-CB 3.23Å; I429-A433 PolarHBondContact O-N 2.77Å; I429-L442 HydrophobicContact CD1-CD2 4Å; I429-I446 HydrophobicContact CG1-CD1 4.09Å
430	L	95.5	Very high	94.7	Very high	66 Å²	66	54 Å²	54	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-48	177.5	-68.4	174.4	0	0	0	110.5	F425 S426 K427 F432 A433 E434 I446	F425-L430 HydrophobicContact CB-CD1 4.43Å; F425-L430 HydrophobicContact CB-CD2 3.84Å; F425-L430 HydrophobicContact CB-CG 3.96Å; F425-L430 HydrophobicContact CD2-CD2 4.26Å; F425-L430 HydrophobicContact CG-CD2 4.31Å; S426-L430 WeakPolarHBondContact O-CG 3.22Å; S426-L430 PolarHBondContact O-N 2.9Å; K427-L430 PolarHBondContact O-N 2.82Å; L430-F432 VanDerWaalsContact C-N 3.29Å; L430-F432 PolarHBondContact O-N 2.87Å; L430-A433 PolarHBondContact O-N 2.93Å; L430-A433 VanDerWaalsContact O-N 3.16Å; L430-E434 WeakPolarHBondContact O-CG 3.32Å; L430-E434 PolarHBondContact O-N 3.49Å; L430-I446 HydrophobicContact CD2-CG2 3.8Å
431	N	94.3	Very high	94.7	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-37	175.3	-66.1	-12.9	0	0	0	112.4	K427 H428 N435	K427-N431 PolarHBondContact O-N 3Å; K427-N431 VanDerWaalsContact O-N 3.09Å; K427-N431 PolarHBondContact O-ND2 3.43Å; K427-N431 PolarHBondContact O-OD1 2.96Å; H428-N431 PolarHBondContact O-N 3.17Å; N431-N435 PolarHBondContact O-ND2 3.21Å
432	F	92.1	Very high	94.5	Very high	51 Å²	51	54.4 Å²	54.4	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-45.4	174.5	177.8	-92.5	0	0	0	111.2	L366 H428 I429 L430 E434 N435 L436 L442	L366-F432 HydrophobicContact CD1-CD1 4.3Å; L366-F432 HydrophobicContact CD1-CE1 4.25Å; H428-F432 PolarHBondContact O-N 2.73Å; I429-F432 HydrophobicContact CD1-CB 4.32Å; I429-F432 HydrophobicContact CD1-CD1 3.87Å; I429-F432 HydrophobicContact CD1-CG 4.44Å; I429-F432 WeakPolarHBondContact O-CB 3.2Å; I429-F432 PolarHBondContact O-N 2.96Å; L430-F432 VanDerWaalsContact C-N 3.29Å; L430-F432 PolarHBondContact O-N 2.87Å; F432-E434 VanDerWaalsContact C-N 3.35Å; F432-E434 PolarHBondContact O-N 3.34Å; F432-N435 PolarHBondContact O-N 2.83Å; F432-L436 HydrophobicContact CD1-CD1 4.15Å; F432-L436 HydrophobicContact CD1-CG 4.47Å; F432-L436 HydrophobicContact CE1-CD1 3.9Å; F432-L436 HydrophobicContact CE1-CD2 4.01Å; F432-L436 HydrophobicContact CE1-CG 4.24Å; F432-L436 HydrophobicContact CZ-CD2 4.31Å; F432-L442 HydrophobicContact CD1-CD2 4.28Å; F432-L442 HydrophobicContact CE1-CD2 4Å
433	A	92.6	Very high	94.4	Very high	6 Å²	6	57.7 Å²	57.7	5%	0.05	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-31.3	-177.7	0	0	0	0	0	113.5	I429 L430 N435 L436 I446	I429-A433 WeakPolarHBondContact O-CB 3.23Å; I429-A433 PolarHBondContact O-N 2.77Å; L430-A433 PolarHBondContact O-N 2.93Å; L430-A433 VanDerWaalsContact O-N 3.16Å; A433-N435 PolarHBondContact O-N 3.01Å; A433-L436 HydrophobicContact CB-CD1 4.48Å; A433-L436 WeakPolarHBondContact O-CB 3.44Å; A433-L436 PolarHBondContact O-N 3.19Å; A433-I446 HydrophobicContact CB-CD1 3.48Å; A433-I446 VanDerWaalsContact CB-CD1 3.48Å
434	E	92.5	Very high	94.3	Very high	139 Å²	139	57.7 Å²	57.7	65%	0.65	29%	0.29	S	S	*	.	H	α-helix	trans	-56.2	-32.5	174.2	-76.2	179.5	176.4	0	0	112.8	L430 F432 L436	L430-E434 WeakPolarHBondContact O-CG 3.32Å; L430-E434 PolarHBondContact O-N 3.49Å; F432-E434 VanDerWaalsContact C-N 3.35Å; F432-E434 PolarHBondContact O-N 3.34Å; E434-L436 VanDerWaalsContact C-N 3.33Å
435	N	92	Very high	94.3	Very high	145 Å²	145	57.1 Å²	57.1	78%	0.775	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.1	179.1	-64.9	-65.7	0	0	0	113.5	N431 F432 A433	N431-N435 PolarHBondContact O-ND2 3.21Å; F432-N435 PolarHBondContact O-N 2.83Å; A433-N435 PolarHBondContact O-N 3.01Å
436	L	91.8	Very high	94.3	Very high	26 Å²	26	56.5 Å²	56.5	14%	0.136	29%	0.285	C	S	.	.	S	Bend	trans	-82.4	151.2	176.8	-57.9	177.5	0	0	0	110.8	V360 F432 A433 E434 V438 N440 L442 R443	V360-L436 HydrophobicContact CG1-CD1 4.35Å; V360-L436 HydrophobicContact CG1-CD2 3.88Å; F432-L436 HydrophobicContact CD1-CD1 4.15Å; F432-L436 HydrophobicContact CD1-CG 4.47Å; F432-L436 HydrophobicContact CE1-CD1 3.9Å; F432-L436 HydrophobicContact CE1-CD2 4.01Å; F432-L436 HydrophobicContact CE1-CG 4.24Å; F432-L436 HydrophobicContact CZ-CD2 4.31Å; A433-L436 HydrophobicContact CB-CD1 4.48Å; A433-L436 WeakPolarHBondContact O-CB 3.44Å; A433-L436 PolarHBondContact O-N 3.19Å; E434-L436 VanDerWaalsContact C-N 3.33Å; L436-V438 PolarHBondContact O-N 3.2Å; L436-N440 HydrophobicContact CB-CB 3.89Å; L436-N440 HydrophobicContact CD1-CB 4.42Å; L436-L442 HydrophobicContact CD1-CB 4Å; L436-L442 HydrophobicContact CD1-CD2 3.94Å; L436-L442 HydrophobicContact CD1-CG 4.45Å; L436-R443 HydrophobicContact CB-CB 4.42Å; L436-R443 PolarHBondContact O-NH1 3.26Å
437	N	92.8	Very high	94.3	Very high	109 Å²	109	57.7 Å²	57.7	58%	0.583	29%	0.289	S	S	*	.			trans	-52.9	140.9	169.3	-173.8	-66.6	0	0	0	109.9	N439 N440	N437-N439 PolarHBondContact O-N 3.02Å; N437-N439 PolarHBondContact OD1-N 3.23Å; N437-N440 WeakPolarHBondContact O-CB 3.32Å; N437-N440 PolarHBondContact O-N 3.16Å
438	V	92.1	Very high	94.4	Very high	66 Å²	66	49.3 Å²	49.3	40%	0.4	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.5	179.2	69.6	0	0	0	0	113.3	R197 L436	R197-V438 PolarHBondContact NH2-O 3.14Å; L436-V438 PolarHBondContact O-N 3.2Å
439	N	92.2	Very high	94.6	Very high	58 Å²	58	45.6 Å²	45.6	31%	0.31	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	6.8	178.6	-63.5	-28.5	0	0	0	113.6	N204 N437	N204-N439 HydrophobicContact CB-CB 4.45Å; N204-N439 PolarHBondContact ND2-ND2 3.5Å; N437-N439 PolarHBondContact O-N 3.02Å; N437-N439 PolarHBondContact OD1-N 3.23Å
440	N	93.4	Very high	94.8	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.144	24%	0.236	C	C	.	.			trans	-62.4	133.1	173.8	-175.9	-70.8	0	0	0	109.5	L436 N437 L442 R443 T444	L436-N440 HydrophobicContact CB-CB 3.89Å; L436-N440 HydrophobicContact CD1-CB 4.42Å; N437-N440 WeakPolarHBondContact O-CB 3.32Å; N437-N440 PolarHBondContact O-N 3.16Å; N440-L442 PolarHBondContact O-N 2.98Å; N440-L442 VanDerWaalsContact O-N 3.16Å; N440-L442 WeakPolarHBondContact OD1-CB 3.5Å; N440-L442 PolarHBondContact OD1-N 2.91Å; N440-R443 HydrophobicContact CB-CB 4.28Å; N440-R443 PolarHBondContact O-N 2.94Å; N440-T444 PolarHBondContact O-N 3.13Å; N440-T444 PolarHBondContact O-OG1 2.99Å; N440-T444 VanDerWaalsContact O-OG1 3.06Å
441	P	94.9	Very high	94.8	Very high	22 Å²	22	44.4 Å²	44.4	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-29.7	-175.7	22.2	-33.7	0	0	0	114.2	F352 V356 F445 Y465	F352-P441 HydrophobicContact CE2-CB 4.46Å; F352-P441 HydrophobicContact CZ-CB 3.96Å; V356-P441 HydrophobicContact CG1-CB 4.28Å; V356-P441 HydrophobicContact CG1-CG 3.85Å; V356-P441 HydrophobicContact CG2-CB 4Å; V356-P441 HydrophobicContact CG2-CG 4.08Å; P441-F445 WeakPolarHBondContact O-CB 3.27Å; P441-F445 PolarHBondContact O-N 2.69Å; P441-Y465 VanDerWaalsContact CA-OH 3.26Å; P441-Y465 WeakPolarHBondContact CA-OH 3.05Å; P441-Y465 WeakPolarHBondContact CB-OH 3.43Å
442	L	94.7	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-44.2	175.5	-162.4	64.4	0	0	0	111.7	L353 V356 L357 F411 I429 F432 L436 N440 F445 I446	L353-L442 HydrophobicContact CD2-CD1 3.71Å; V356-L442 HydrophobicContact CG1-CB 3.84Å; V356-L442 HydrophobicContact CG1-CD1 4.05Å; L357-L442 HydrophobicContact CD2-CD1 4Å; L357-L442 HydrophobicContact CD2-CD2 3.7Å; L357-L442 HydrophobicContact CG-CD1 4.46Å; F411-L442 HydrophobicContact CE1-CD1 3.88Å; F411-L442 HydrophobicContact CE2-CD1 4.23Å; F411-L442 HydrophobicContact CZ-CD1 3.37Å; F411-L442 HydrophobicContact CZ-CD2 4.14Å; F411-L442 HydrophobicContact CZ-CG 3.9Å; I429-L442 HydrophobicContact CD1-CD2 4Å; F432-L442 HydrophobicContact CD1-CD2 4.28Å; F432-L442 HydrophobicContact CE1-CD2 4Å; L436-L442 HydrophobicContact CD1-CB 4Å; L436-L442 HydrophobicContact CD1-CD2 3.94Å; L436-L442 HydrophobicContact CD1-CG 4.45Å; N440-L442 PolarHBondContact O-N 2.98Å; N440-L442 VanDerWaalsContact O-N 3.16Å; N440-L442 WeakPolarHBondContact OD1-CB 3.5Å; N440-L442 PolarHBondContact OD1-N 2.91Å; L442-F445 WeakPolarHBondContact O-CB 3.49Å; L442-F445 PolarHBondContact O-N 2.82Å; L442-I446 WeakPolarHBondContact O-CG1 3.39Å; L442-I446 PolarHBondContact O-N 2.93Å; L442-I446 VanDerWaalsContact O-N 3.16Å
443	R	95.3	Very high	94.9	Very high	69 Å²	69	38.1 Å²	38.1	26%	0.26	20%	0.2	S	C	.	.	H	α-helix	trans	-66.9	-41.8	177.1	178.3	166.7	172.4	171.7	7.6	111	L436 N440 F445 I446 D447	L436-R443 HydrophobicContact CB-CB 4.42Å; L436-R443 PolarHBondContact O-NH1 3.26Å; N440-R443 HydrophobicContact CB-CB 4.28Å; N440-R443 PolarHBondContact O-N 2.94Å; R443-F445 VanDerWaalsContact C-N 3.31Å; R443-F445 PolarHBondContact O-N 2.87Å; R443-I446 PolarHBondContact O-N 2.95Å; R443-D447 WeakPolarHBondContact CG-OD2 3.31Å; R443-D447 IonicContact NE-OD2 3Å; R443-D447 WeakPolarHBondContact O-CB 3.45Å; R443-D447 PolarHBondContact O-N 2.92Å
444	T	97	Very high	95.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-44.6	173	-54	0	0	0	0	112.6	R197 A201 N440 I446 D447 L448 Y465	R197-T444 PolarHBondContact NH2-OG1 3.13Å; A201-T444 HydrophobicContact CB-CG2 3.43Å; A201-T444 VanDerWaalsContact CB-CG2 3.43Å; N440-T444 PolarHBondContact O-N 3.13Å; N440-T444 PolarHBondContact O-OG1 2.99Å; N440-T444 VanDerWaalsContact O-OG1 3.06Å; T444-I446 VanDerWaalsContact C-N 3.32Å; T444-I446 PolarHBondContact O-N 3.21Å; T444-D447 PolarHBondContact O-N 3.09Å; T444-L448 HydrophobicContact CG2-CD1 3.81Å; T444-L448 HydrophobicContact CG2-CG 4.27Å; T444-L448 WeakPolarHBondContact O-CB 3.36Å; T444-L448 WeakPolarHBondContact O-CG 3.34Å; T444-L448 PolarHBondContact O-N 3.28Å; T444-Y465 HydrophobicContact CG2-CD1 4.1Å; T444-Y465 HydrophobicContact CG2-CD2 4.03Å; T444-Y465 HydrophobicContact CG2-CE1 3.66Å; T444-Y465 HydrophobicContact CG2-CE2 3.61Å; T444-Y465 HydrophobicContact CG2-CG 4.28Å; T444-Y465 VanDerWaalsContact CG2-CZ 3.41Å
445	F	97.9	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-45.6	178.1	-173.5	-80.2	0	0	0	111.2	F349 F352 L353 V423 F425 P441 L442 R443 L448 T449 L462	F349-F445 HydrophobicContact CB-CE2 4.13Å; F349-F445 HydrophobicContact CB-CZ 3.91Å; F349-F445 AromaticContact CD1-CE2 3.87Å; F349-F445 HydrophobicContact CD1-CE2 3.87Å; F349-F445 HydrophobicContact CD1-CZ 4.24Å; F349-F445 HydrophobicContact CD2-CZ 4.18Å; F349-F445 HydrophobicContact CE1-CE2 4.44Å; F349-F445 AromaticContact CG-CE2 3.97Å; F349-F445 HydrophobicContact CG-CE2 3.97Å; F349-F445 AromaticContact CG-CZ 3.87Å; F349-F445 HydrophobicContact CG-CZ 3.87Å; F352-F445 AromaticContact CD1-CD2 3.48Å; F352-F445 HydrophobicContact CD1-CD2 3.48Å; F352-F445 VanDerWaalsContact CD1-CD2 3.48Å; F352-F445 AromaticContact CD1-CE2 3.89Å; F352-F445 HydrophobicContact CD1-CE2 3.89Å; F352-F445 HydrophobicContact CD1-CG 4.29Å; F352-F445 HydrophobicContact CE1-CB 3.79Å; F352-F445 AromaticContact CE1-CD2 3.33Å; F352-F445 HydrophobicContact CE1-CD2 3.33Å; F352-F445 HydrophobicContact CE1-CE2 4.2Å; F352-F445 AromaticContact CE1-CG 3.82Å; F352-F445 HydrophobicContact CE1-CG 3.82Å; F352-F445 HydrophobicContact CZ-CB 4.39Å; F352-F445 HydrophobicContact CZ-CD2 4.24Å; L353-F445 HydrophobicContact CD1-CE1 4.23Å; L353-F445 HydrophobicContact CD1-CZ 4.25Å; L353-F445 HydrophobicContact CD2-CD1 4.05Å; L353-F445 HydrophobicContact CD2-CD2 4.48Å; L353-F445 HydrophobicContact CD2-CE1 4.22Å; L353-F445 HydrophobicContact CD2-CG 4.2Å; L353-F445 HydrophobicContact CG-CE1 4.5Å; L353-F445 HydrophobicContact CG-CZ 4.4Å; V423-F445 HydrophobicContact CB-CE1 4.27Å; V423-F445 HydrophobicContact CG1-CE1 4.13Å; V423-F445 HydrophobicContact CG2-CE1 4.07Å; V423-F445 HydrophobicContact CG2-CZ 4.04Å; F425-F445 HydrophobicContact CE1-CD1 4.2Å; F425-F445 HydrophobicContact CE1-CE1 4.19Å; F425-F445 HydrophobicContact CZ-CD1 4.18Å; F425-F445 HydrophobicContact CZ-CE1 4.24Å; P441-F445 WeakPolarHBondContact O-CB 3.27Å; P441-F445 PolarHBondContact O-N 2.69Å; L442-F445 WeakPolarHBondContact O-CB 3.49Å; L442-F445 PolarHBondContact O-N 2.82Å; R443-F445 VanDerWaalsContact C-N 3.31Å; R443-F445 PolarHBondContact O-N 2.87Å; F445-L448 PolarHBondContact O-N 3.2Å; F445-T449 PolarHBondContact O-N 2.86Å; F445-T449 PolarHBondContact O-OG1 2.94Å; F445-L462 HydrophobicContact CB-CD1 4.38Å; F445-L462 HydrophobicContact CD1-CD1 4.34Å; F445-L462 HydrophobicContact CD2-CD1 3.51Å; F445-L462 HydrophobicContact CD2-CG 4.21Å; F445-L462 HydrophobicContact CE1-CD2 4.24Å; F445-L462 HydrophobicContact CE2-CD1 3.73Å; F445-L462 HydrophobicContact CE2-CD2 4.02Å; F445-L462 HydrophobicContact CE2-CG 3.9Å; F445-L462 HydrophobicContact CG-CD1 3.84Å; F445-L462 HydrophobicContact CZ-CD1 4.22Å; F445-L462 HydrophobicContact CZ-CD2 3.83Å; F445-L462 HydrophobicContact CZ-CG 4.24Å
446	I	97.7	Very high	95.7	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.087	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-49.9	175.7	-68	164.7	0	0	0	110.9	F411 F425 I429 L430 A433 L442 R443 T444 L448 T449	F411-I446 HydrophobicContact CE1-CD1 4.49Å; F411-I446 HydrophobicContact CE1-CG1 4.45Å; F425-I446 HydrophobicContact CD1-CG1 4.02Å; F425-I446 HydrophobicContact CD2-CG1 4.33Å; F425-I446 HydrophobicContact CD2-CG2 4.02Å; F425-I446 HydrophobicContact CE1-CG1 3.8Å; F425-I446 HydrophobicContact CE2-CB 4.17Å; F425-I446 HydrophobicContact CE2-CG1 4.13Å; F425-I446 HydrophobicContact CE2-CG2 3.97Å; F425-I446 HydrophobicContact CG-CG1 4.29Å; F425-I446 HydrophobicContact CZ-CB 4.23Å; F425-I446 HydrophobicContact CZ-CG1 3.87Å; I429-I446 HydrophobicContact CG1-CD1 4.09Å; L430-I446 HydrophobicContact CD2-CG2 3.8Å; A433-I446 HydrophobicContact CB-CD1 3.48Å; A433-I446 VanDerWaalsContact CB-CD1 3.48Å; L442-I446 WeakPolarHBondContact O-CG1 3.39Å; L442-I446 PolarHBondContact O-N 2.93Å; L442-I446 VanDerWaalsContact O-N 3.16Å; R443-I446 PolarHBondContact O-N 2.95Å; T444-I446 VanDerWaalsContact C-N 3.32Å; T444-I446 PolarHBondContact O-N 3.21Å; I446-L448 PolarHBondContact O-N 3.26Å; I446-T449 PolarHBondContact O-N 3.36Å; I446-T449 VanDerWaalsContact O-N 3.08Å
447	D	97.5	Very high	96	Very high	50 Å²	50	23.1 Å²	23.1	27%	0.267	12%	0.124	S	C	.	.	H	α-helix	trans	-66.4	-20.7	-176.2	-65	-17.7	0	0	0	113.3	R197 R443 T444	R197-D447 HydrophobicContact CG-CB 3.8Å; R197-D447 IonicContact CZ-OD2 2.62Å; R197-D447 IonicContact NE-OD2 2.75Å; R197-D447 PolarHBondContact NE-OD2 3.2Å; R443-D447 WeakPolarHBondContact CG-OD2 3.31Å; R443-D447 IonicContact NE-OD2 3Å; R443-D447 WeakPolarHBondContact O-CB 3.45Å; R443-D447 PolarHBondContact O-N 2.92Å; T444-D447 PolarHBondContact O-N 3.09Å
448	L	98.2	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6	176.1	-74	177.8	0	0	0	113.6	R197 F198 T444 F445 I446 L462 Y465	R197-L448 HydrophobicContact CB-CD2 4.02Å; R197-L448 HydrophobicContact CG-CD2 3.75Å; R197-L448 HydrophobicContact CG-CG 4.09Å; F198-L448 HydrophobicContact CB-CD2 3.85Å; F198-L448 HydrophobicContact CD2-CD1 4.28Å; T444-L448 HydrophobicContact CG2-CD1 3.81Å; T444-L448 HydrophobicContact CG2-CG 4.27Å; T444-L448 WeakPolarHBondContact O-CB 3.36Å; T444-L448 WeakPolarHBondContact O-CG 3.34Å; T444-L448 PolarHBondContact O-N 3.28Å; F445-L448 PolarHBondContact O-N 3.2Å; I446-L448 PolarHBondContact O-N 3.26Å; L448-L462 HydrophobicContact CB-CD1 3.95Å; L448-Y465 HydrophobicContact CD1-CD1 4.17Å; L448-Y465 HydrophobicContact CD1-CD2 4.44Å; L448-Y465 HydrophobicContact CD1-CG 3.87Å
449	T	98.4	Very high	96.6	Very high	12 Å²	12	14.9 Å²	14.9	7%	0.074	8%	0.078	C	C	.	.			trans	-98.9	122.6	-174.2	-57.3	0	0	0	0	111	V423 F425 F445 I446 T451 L462	V423-T449 HydrophobicContact CB-CG2 4.04Å; V423-T449 WeakPolarHBondContact O-CG2 3.46Å; F425-T449 HydrophobicContact CE2-CG2 3.89Å; F425-T449 HydrophobicContact CZ-CG2 3.9Å; F445-T449 PolarHBondContact O-N 2.86Å; F445-T449 PolarHBondContact O-OG1 2.94Å; I446-T449 PolarHBondContact O-N 3.36Å; I446-T449 VanDerWaalsContact O-N 3.08Å; T449-T451 HydrophobicContact CG2-CG2 4.13Å; T449-L462 WeakPolarHBondContact OG1-CD2 3.41Å
450	N	97.6	Very high	96.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.064	C	C	.	.			trans	-83.3	110	163.3	178.9	4.5	0	0	0	110.1	F194 T422 S452 D455 T458	F194-N450 HydrophobicContact CZ-CB 4.18Å; T422-N450 PolarHBondContact OG1-O 2.84Å; N450-S452 VanDerWaalsContact C-N 3.35Å; N450-S452 PolarHBondContact ND2-OG 3.11Å; N450-S452 PolarHBondContact O-N 2.79Å; N450-S452 WeakPolarHBondContact OD1-CB 3.38Å; N450-S452 PolarHBondContact OD1-N 2.91Å; N450-S452 VanDerWaalsContact OD1-N 3.11Å; N450-S452 PolarHBondContact OD1-OG 3.36Å; N450-D455 HydrophobicContact CB-CB 3.95Å; N450-D455 PolarHBondContact ND2-OD2 2.79Å; N450-T458 HydrophobicContact CB-CG2 4.13Å
451	T	96.6	Very high	97.2	Very high	39 Å²	39	11.1 Å²	11.1	24%	0.239	6%	0.058	C	C	.	.			trans	-86.4	-1.4	-175.7	71.7	0	0	0	0	114.2	V423 L424 F425 T449	V423-T451 WeakPolarHBondContact O-CG2 3.29Å; L424-T451 WeakPolarHBondContact CD2-O 3.43Å; F425-T451 HydrophobicContact CD2-CG2 3.64Å; F425-T451 HydrophobicContact CE2-CG2 3.67Å; T449-T451 HydrophobicContact CG2-CG2 4.13Å
452	S	94.2	Very high	97.3	Very high	7 Å²	7	10 Å²	10	5%	0.049	5%	0.051	C	C	.	.	S	Bend	trans	-73.5	-39.6	-171.3	62.5	0	0	0	0	113	N450	N450-S452 VanDerWaalsContact C-N 3.35Å; N450-S452 PolarHBondContact ND2-OG 3.11Å; N450-S452 PolarHBondContact O-N 2.79Å; N450-S452 WeakPolarHBondContact OD1-CB 3.38Å; N450-S452 PolarHBondContact OD1-N 2.91Å; N450-S452 VanDerWaalsContact OD1-N 3.11Å; N450-S452 PolarHBondContact OD1-OG 3.36Å
453	I	94.6	Very high	97.5	Very high	6 Å²	6	10 Å²	10	3%	0.031	5%	0.051	C	C	.	.	S	Bend	trans	-162.4	179.7	177.1	-165.9	154.1	0	0	0	108.2	M87 P163 H166 D455	M87-I453 HydrophobicContact CG-CD1 4.37Å; P163-I453 HydrophobicContact CB-CG2 3.98Å; H166-I453 HydrophobicContact CB-CG2 3.76Å; H166-I453 VanDerWaalsContact CE1-CD1 3.48Å; H166-I453 WeakPolarHBondContact CE1-CD1 3.49Å; I453-D455 PolarHBondContact O-N 3.07Å
454	G	95.1	Very high	97.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.			trans	-64.2	128	170.4	0	0	0	0	0	112	G421	G421-G454 WeakPolarHBondContact O-CA 3.47Å
455	D	98.3	Very high	97.7	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.			trans	-130.9	94.1	-173.4	-177.7	-22.9	0	0	0	109.1	P163 Y190 N450 I453 I457 T458 D459	P163-D455 HydrophobicContact CB-CB 3.46Å; P163-D455 VanDerWaalsContact CB-CB 3.46Å; P163-D455 VanDerWaalsContact CB-CG 3.43Å; P163-D455 WeakPolarHBondContact CB-OD2 3.3Å; P163-D455 HydrophobicContact CG-CB 4.05Å; Y190-D455 VanDerWaalsContact CE2-OD2 3.3Å; Y190-D455 WeakPolarHBondContact CE2-OD2 3.19Å; Y190-D455 PolarHBondContact OH-OD1 3.09Å; Y190-D455 PolarHBondContact OH-OD2 2.75Å; N450-D455 HydrophobicContact CB-CB 3.95Å; N450-D455 PolarHBondContact ND2-OD2 2.79Å; I453-D455 PolarHBondContact O-N 3.07Å; D455-I457 PolarHBondContact O-N 3.24Å; D455-I457 VanDerWaalsContact O-N 3.09Å; D455-I457 PolarHBondContact OD1-N 3.02Å; D455-T458 VanDerWaalsContact CB-OG1 3.25Å; D455-T458 WeakPolarHBondContact CB-OG1 3.09Å; D455-T458 PolarHBondContact O-N 3.24Å; D455-T458 PolarHBondContact O-OG1 2.96Å; D455-T458 PolarHBondContact OD1-N 3.17Å; D455-T458 WeakPolarHBondContact OD2-CG2 3.32Å; D455-T458 PolarHBondContact OD2-OG1 3.41Å; D455-D459 VanDerWaalsContact O-CB 3.24Å; D455-D459 WeakPolarHBondContact O-CB 3.25Å; D455-D459 PolarHBondContact O-N 2.9Å
456	A	98.8	Very high	97.7	Very high	1 Å²	1	7 Å²	7	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-60.4	-27	-174.2	0	0	0	0	0	112.9	I293 A297 R299 L300 I460	I293-A456 HydrophobicContact CB-CB 4.14Å; I293-A456 HydrophobicContact CG2-CB 3.56Å; A297-A456 HydrophobicContact CB-CB 4.37Å; A297-A456 VanDerWaalsContact O-CB 3.24Å; A297-A456 WeakPolarHBondContact O-CB 3.43Å; A297-A456 PolarHBondContact O-N 3.02Å; A297-A456 VanDerWaalsContact O-N 3.08Å; R299-A456 VanDerWaalsContact O-CB 3.27Å; R299-A456 WeakPolarHBondContact O-CB 3.28Å; L300-A456 HydrophobicContact CB-CB 3.87Å; A456-I460 WeakPolarHBondContact O-CD1 3.41Å; A456-I460 WeakPolarHBondContact O-CG1 3.31Å; A456-I460 PolarHBondContact O-N 3.47Å
457	I	98.8	Very high	97.7	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-76.3	-49.2	-179.6	-63.1	179.3	0	0	0	110	T161 V226 L227 F230 A297 D455 D459 I460 L461	T161-I457 HydrophobicContact CG2-CD1 4.1Å; V226-I457 HydrophobicContact CB-CD1 3.68Å; V226-I457 HydrophobicContact CG1-CD1 3.54Å; L227-I457 HydrophobicContact CD2-CG1 4.16Å; L227-I457 HydrophobicContact CD2-CG2 4Å; L227-I457 HydrophobicContact CG-CD1 4.22Å; L227-I457 HydrophobicContact CG-CG1 4.21Å; F230-I457 HydrophobicContact CD2-CG2 3.94Å; F230-I457 HydrophobicContact CE2-CG2 3.55Å; F230-I457 HydrophobicContact CZ-CG2 3.91Å; A297-I457 HydrophobicContact CB-CG1 4.42Å; D455-I457 PolarHBondContact O-N 3.24Å; D455-I457 VanDerWaalsContact O-N 3.09Å; D455-I457 PolarHBondContact OD1-N 3.02Å; I457-D459 VanDerWaalsContact C-N 3.3Å; I457-D459 PolarHBondContact O-N 3.24Å; I457-I460 WeakPolarHBondContact O-CB 3.42Å; I457-I460 PolarHBondContact O-N 3.21Å; I457-L461 PolarHBondContact O-N 3.16Å
458	T	98.6	Very high	97.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-69.2	-32.7	177	62.7	0	0	0	0	111.7	Y190 F194 N450 D455 I460 L461 L462	Y190-T458 HydrophobicContact CE2-CG2 4.3Å; F194-T458 HydrophobicContact CD1-CG2 3.91Å; F194-T458 HydrophobicContact CD2-CG2 3.63Å; F194-T458 HydrophobicContact CE1-CG2 3.92Å; F194-T458 HydrophobicContact CE2-CG2 3.66Å; F194-T458 HydrophobicContact CG-CG2 3.79Å; F194-T458 HydrophobicContact CZ-CG2 3.81Å; N450-T458 HydrophobicContact CB-CG2 4.13Å; D455-T458 VanDerWaalsContact CB-OG1 3.25Å; D455-T458 WeakPolarHBondContact CB-OG1 3.09Å; D455-T458 PolarHBondContact O-N 3.24Å; D455-T458 PolarHBondContact O-OG1 2.96Å; D455-T458 PolarHBondContact OD1-N 3.17Å; D455-T458 WeakPolarHBondContact OD2-CG2 3.32Å; D455-T458 PolarHBondContact OD2-OG1 3.41Å; T458-I460 VanDerWaalsContact C-N 3.32Å; T458-I460 PolarHBondContact O-N 2.85Å; T458-L461 WeakPolarHBondContact O-CB 3.32Å; T458-L461 PolarHBondContact O-N 3.08Å; T458-L461 VanDerWaalsContact O-N 3.13Å; T458-L462 WeakPolarHBondContact O-CB 3.34Å; T458-L462 PolarHBondContact O-N 3Å
459	D	98.8	Very high	97.5	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-65.6	-34.4	174.2	-71.2	-27.2	0	0	0	111.7	L300 G421 D455 I457 L461 L462 V463	L300-D459 HydrophobicContact CD2-CB 3.45Å; L300-D459 VanDerWaalsContact CD2-CB 3.45Å; G421-D459 VanDerWaalsContact O-OD2 3.13Å; D455-D459 VanDerWaalsContact O-CB 3.24Å; D455-D459 WeakPolarHBondContact O-CB 3.25Å; D455-D459 PolarHBondContact O-N 2.9Å; I457-D459 VanDerWaalsContact C-N 3.3Å; I457-D459 PolarHBondContact O-N 3.24Å; D459-L461 VanDerWaalsContact C-N 3.34Å; D459-L461 PolarHBondContact O-N 3.43Å; D459-L462 PolarHBondContact O-N 2.93Å; D459-V463 WeakPolarHBondContact O-CB 3.33Å; D459-V463 VanDerWaalsContact O-CG2 3.3Å; D459-V463 WeakPolarHBondContact O-CG2 3.41Å; D459-V463 PolarHBondContact O-N 3.33Å
460	I	98.8	Very high	97.4	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-57.5	-49.7	169.6	-78.4	163.1	0	0	0	110	L214 V216 A291 I293 L300 Y302 A456 I457 T458 L462 V463 E464	L214-I460 HydrophobicContact CD2-CG2 3.53Å; V216-I460 HydrophobicContact CG1-CD1 4.24Å; A291-I460 HydrophobicContact CB-CD1 4.02Å; A291-I460 HydrophobicContact CB-CG1 4.07Å; I293-I460 HydrophobicContact CG2-CD1 4.06Å; L300-I460 HydrophobicContact CD1-CD1 4.01Å; L300-I460 HydrophobicContact CD1-CG1 3.59Å; L300-I460 HydrophobicContact CD2-CG1 3.88Å; L300-I460 HydrophobicContact CG-CG1 4.41Å; Y302-I460 WeakPolarHBondContact OH-CA 3.19Å; Y302-I460 PolarHBondContact OH-O 3.49Å; A456-I460 WeakPolarHBondContact O-CD1 3.41Å; A456-I460 WeakPolarHBondContact O-CG1 3.31Å; A456-I460 PolarHBondContact O-N 3.47Å; I457-I460 WeakPolarHBondContact O-CB 3.42Å; I457-I460 PolarHBondContact O-N 3.21Å; T458-I460 VanDerWaalsContact C-N 3.32Å; T458-I460 PolarHBondContact O-N 2.85Å; I460-L462 VanDerWaalsContact C-N 3.31Å; I460-L462 PolarHBondContact O-N 3.22Å; I460-V463 PolarHBondContact O-N 3.05Å; I460-E464 HydrophobicContact CG2-CG 4.43Å; I460-E464 WeakPolarHBondContact O-CB 3.44Å; I460-E464 WeakPolarHBondContact O-CG 3.14Å; I460-E464 PolarHBondContact O-N 3.38Å
461	L	98.7	Very high	97.3	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-61.8	-41.1	179.3	-58.2	-178.5	0	0	0	111.5	F194 F198 F230 F234 L243 I457 T458 D459 Y465	F194-L461 HydrophobicContact CB-CD1 3.87Å; F198-L461 HydrophobicContact CB-CD1 4.32Å; F198-L461 HydrophobicContact CB-CD2 4.43Å; F198-L461 HydrophobicContact CD1-CD2 4.42Å; F198-L461 HydrophobicContact CD2-CB 3.76Å; F198-L461 HydrophobicContact CD2-CD2 4.04Å; F198-L461 HydrophobicContact CD2-CG 4.41Å; F198-L461 WeakPolarHBondContact CD2-O 3.27Å; F198-L461 HydrophobicContact CE2-CB 4.36Å; F198-L461 HydrophobicContact CE2-CD2 4.43Å; F198-L461 VanDerWaalsContact CE2-O 3.25Å; F198-L461 WeakPolarHBondContact CE2-O 3.35Å; F198-L461 HydrophobicContact CG-CB 4.35Å; F198-L461 HydrophobicContact CG-CD2 4.02Å; F230-L461 HydrophobicContact CD1-CD1 4.29Å; F230-L461 HydrophobicContact CE1-CD1 3.72Å; F230-L461 HydrophobicContact CZ-CD1 4.48Å; F234-L461 HydrophobicContact CE2-CD2 4.2Å; F234-L461 HydrophobicContact CZ-CD2 3.8Å; L243-L461 HydrophobicContact CD2-CD2 3.65Å; I457-L461 PolarHBondContact O-N 3.16Å; T458-L461 WeakPolarHBondContact O-CB 3.32Å; T458-L461 PolarHBondContact O-N 3.08Å; T458-L461 VanDerWaalsContact O-N 3.13Å; D459-L461 VanDerWaalsContact C-N 3.34Å; D459-L461 PolarHBondContact O-N 3.43Å; L461-Y465 WeakPolarHBondContact O-CB 3.21Å; L461-Y465 PolarHBondContact O-N 3.26Å
462	L	98.7	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.1	-41.8	179.9	-168.4	62	0	0	0	112.3	F349 F445 L448 T449 T458 D459 I460 T466	F349-L462 HydrophobicContact CD1-CG 4.47Å; F349-L462 HydrophobicContact CD2-CD2 4.27Å; F349-L462 HydrophobicContact CE1-CB 4.25Å; F349-L462 HydrophobicContact CE1-CD2 4.07Å; F349-L462 HydrophobicContact CE1-CG 3.74Å; F349-L462 HydrophobicContact CE2-CD2 3.63Å; F349-L462 HydrophobicContact CE2-CG 4.21Å; F349-L462 HydrophobicContact CZ-CB 3.89Å; F349-L462 HydrophobicContact CZ-CD2 3.52Å; F349-L462 HydrophobicContact CZ-CG 3.58Å; F445-L462 HydrophobicContact CB-CD1 4.38Å; F445-L462 HydrophobicContact CD1-CD1 4.34Å; F445-L462 HydrophobicContact CD2-CD1 3.51Å; F445-L462 HydrophobicContact CD2-CG 4.21Å; F445-L462 HydrophobicContact CE1-CD2 4.24Å; F445-L462 HydrophobicContact CE2-CD1 3.73Å; F445-L462 HydrophobicContact CE2-CD2 4.02Å; F445-L462 HydrophobicContact CE2-CG 3.9Å; F445-L462 HydrophobicContact CG-CD1 3.84Å; F445-L462 HydrophobicContact CZ-CD1 4.22Å; F445-L462 HydrophobicContact CZ-CD2 3.83Å; F445-L462 HydrophobicContact CZ-CG 4.24Å; L448-L462 HydrophobicContact CB-CD1 3.95Å; T449-L462 WeakPolarHBondContact OG1-CD2 3.41Å; T458-L462 WeakPolarHBondContact O-CB 3.34Å; T458-L462 PolarHBondContact O-N 3Å; D459-L462 PolarHBondContact O-N 2.93Å; I460-L462 VanDerWaalsContact C-N 3.31Å; I460-L462 PolarHBondContact O-N 3.22Å; L462-T466 VanDerWaalsContact O-CB 3.25Å; L462-T466 WeakPolarHBondContact O-CB 3.49Å; L462-T466 PolarHBondContact O-N 2.95Å; L462-T466 PolarHBondContact O-OG1 3.08Å
463	V	98.7	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-51.8	173.7	167.5	0	0	0	0	110.5	Y302 I345 L348 F349 D459 I460 Y465 T466 L467 W477	Y302-V463 HydrophobicContact CD2-CG1 4.3Å; Y302-V463 HydrophobicContact CE1-CG1 4.32Å; Y302-V463 HydrophobicContact CE2-CB 3.84Å; Y302-V463 HydrophobicContact CE2-CG1 3.59Å; Y302-V463 HydrophobicContact CE2-CG2 3.88Å; I345-V463 HydrophobicContact CG1-CG2 4.43Å; I345-V463 HydrophobicContact CG2-CG2 4.15Å; L348-V463 HydrophobicContact CD2-CB 4.49Å; L348-V463 HydrophobicContact CD2-CG1 3.95Å; L348-V463 HydrophobicContact CD2-CG2 4.38Å; F349-V463 HydrophobicContact CE1-CB 4.47Å; F349-V463 HydrophobicContact CE1-CG2 3.73Å; F349-V463 HydrophobicContact CZ-CG2 3.65Å; D459-V463 WeakPolarHBondContact O-CB 3.33Å; D459-V463 VanDerWaalsContact O-CG2 3.3Å; D459-V463 WeakPolarHBondContact O-CG2 3.41Å; D459-V463 PolarHBondContact O-N 3.33Å; I460-V463 PolarHBondContact O-N 3.05Å; V463-Y465 VanDerWaalsContact C-N 3.33Å; V463-Y465 PolarHBondContact O-N 2.88Å; V463-T466 PolarHBondContact O-N 3.4Å; V463-T466 VanDerWaalsContact O-N 3.13Å; V463-L467 HydrophobicContact CG1-CD1 3.8Å; V463-L467 HydrophobicContact CG1-CG 4.29Å; V463-L467 WeakPolarHBondContact O-CG 3.38Å; V463-L467 PolarHBondContact O-N 3.1Å; V463-W477 HydrophobicContact CG1-CH2 3.9Å; V463-W477 HydrophobicContact CG1-CZ3 3.75Å
464	E	97.9	Very high	97	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.5	-37	-177.7	-67.4	-58.6	147.9	0	0	111.7	F198 I212 L214 L243 R289 Y302 I460 A468	F198-E464 HydrophobicContact CE2-CB 4.21Å; F198-E464 HydrophobicContact CZ-CB 4.29Å; I212-E464 HydrophobicContact CD1-CB 4.42Å; I212-E464 HydrophobicContact CG2-CG 4.41Å; I212-E464 WeakPolarHBondContact CG2-OE2 3.07Å; L214-E464 HydrophobicContact CD2-CG 4.15Å; L243-E464 HydrophobicContact CD1-CG 4.45Å; R289-E464 IonicContact CZ-OE2 2.71Å; R289-E464 IonicContact NH1-OE1 3.36Å; R289-E464 IonicContact NH1-OE2 3.82Å; R289-E464 PolarHBondContact NH1-OE2 2.84Å; Y302-E464 WeakPolarHBondContact CE1-OE1 3.43Å; Y302-E464 PolarHBondContact OH-OE1 2.75Å; I460-E464 HydrophobicContact CG2-CG 4.43Å; I460-E464 WeakPolarHBondContact O-CB 3.44Å; I460-E464 WeakPolarHBondContact O-CG 3.14Å; I460-E464 PolarHBondContact O-N 3.38Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.1Å
465	Y	97.9	Very high	96.8	Very high	5 Å²	5	19.6 Å²	19.6	2%	0.02	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-46.6	171.2	173.1	-106	0	0	0	111.5	A201 L205 F352 P441 T444 L448 L461 V463 A468 W469	A201-Y465 HydrophobicContact CB-CD2 3.89Å; A201-Y465 HydrophobicContact CB-CE2 3.76Å; L205-Y465 HydrophobicContact CD1-CD2 3.85Å; L205-Y465 HydrophobicContact CD1-CE2 3.7Å; L205-Y465 HydrophobicContact CD2-CE2 3.91Å; L205-Y465 HydrophobicContact CG-CE2 4.04Å; F352-Y465 HydrophobicContact CE2-CE1 4.14Å; F352-Y465 AromaticContact CZ-CE1 3.8Å; F352-Y465 HydrophobicContact CZ-CE1 3.8Å; P441-Y465 VanDerWaalsContact CA-OH 3.26Å; P441-Y465 WeakPolarHBondContact CA-OH 3.05Å; P441-Y465 WeakPolarHBondContact CB-OH 3.43Å; T444-Y465 HydrophobicContact CG2-CD1 4.1Å; T444-Y465 HydrophobicContact CG2-CD2 4.03Å; T444-Y465 HydrophobicContact CG2-CE1 3.66Å; T444-Y465 HydrophobicContact CG2-CE2 3.61Å; T444-Y465 HydrophobicContact CG2-CG 4.28Å; T444-Y465 VanDerWaalsContact CG2-CZ 3.41Å; L448-Y465 HydrophobicContact CD1-CD1 4.17Å; L448-Y465 HydrophobicContact CD1-CD2 4.44Å; L448-Y465 HydrophobicContact CD1-CG 3.87Å; L461-Y465 WeakPolarHBondContact O-CB 3.21Å; L461-Y465 PolarHBondContact O-N 3.26Å; V463-Y465 VanDerWaalsContact C-N 3.33Å; V463-Y465 PolarHBondContact O-N 2.88Å; Y465-A468 PolarHBondContact O-N 2.81Å; Y465-W469 WeakPolarHBondContact O-CB 3.29Å; Y465-W469 PolarHBondContact O-N 2.88Å
466	T	98.1	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-45.2	-178.6	-64	0	0	0	0	111.7	L348 F352 L462 V463 W469 L470	L348-T466 HydrophobicContact CD1-CG2 3.84Å; L348-T466 HydrophobicContact CD2-CG2 4.17Å; L348-T466 HydrophobicContact CG-CG2 3.68Å; F352-T466 HydrophobicContact CB-CG2 3.45Å; F352-T466 VanDerWaalsContact CB-CG2 3.45Å; F352-T466 HydrophobicContact CD2-CG2 3.77Å; F352-T466 HydrophobicContact CG-CG2 3.74Å; L462-T466 VanDerWaalsContact O-CB 3.25Å; L462-T466 WeakPolarHBondContact O-CB 3.49Å; L462-T466 PolarHBondContact O-N 2.95Å; L462-T466 PolarHBondContact O-OG1 3.08Å; V463-T466 PolarHBondContact O-N 3.4Å; V463-T466 VanDerWaalsContact O-N 3.13Å; T466-W469 PolarHBondContact O-N 3.49Å; T466-L470 HydrophobicContact CG2-CD1 3.9Å; T466-L470 WeakPolarHBondContact O-CB 3.36Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.47Å; T466-L470 PolarHBondContact O-N 3.45Å
467	L	97.4	Very high	96.6	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-43.6	175.6	-69.6	173.3	0	0	0	111.5	L348 V463 L470 N471 W472 F474 W477	L348-L467 HydrophobicContact CD1-CD2 3.89Å; L348-L467 HydrophobicContact CD2-CD2 4.04Å; L348-L467 HydrophobicContact CD2-CG 4.07Å; V463-L467 HydrophobicContact CG1-CD1 3.8Å; V463-L467 HydrophobicContact CG1-CG 4.29Å; V463-L467 WeakPolarHBondContact O-CG 3.38Å; V463-L467 PolarHBondContact O-N 3.1Å; L467-L470 PolarHBondContact O-N 3.41Å; L467-N471 PolarHBondContact O-N 2.86Å; L467-W472 HydrophobicContact CD2-CB 4.01Å; L467-W472 PolarHBondContact O-N 2.76Å; L467-F474 HydrophobicContact CD1-CD2 3.99Å; L467-F474 HydrophobicContact CD1-CE2 3.54Å; L467-W477 HydrophobicContact CD1-CE3 4Å; L467-W477 HydrophobicContact CD1-CZ3 4.36Å; L467-W477 HydrophobicContact CD2-CB 4Å; L467-W477 HydrophobicContact CD2-CD2 4.35Å; L467-W477 HydrophobicContact CD2-CE3 4.24Å; L467-W477 HydrophobicContact CD2-CG 4.28Å
468	A	96.4	Very high	96.4	Very high	9 Å²	9	25.8 Å²	25.8	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-41.8	176.9	0	0	0	0	0	112.1	L202 L205 S207 C208 I212 E464 Y465 N471	L202-A468 HydrophobicContact CD1-CB 4.24Å; L205-A468 HydrophobicContact CD1-CB 3.83Å; S207-A468 WeakPolarHBondContact CB-O 3.44Å; S207-A468 PolarHBondContact OG-O 2.87Å; C208-A468 HydrophobicContact CB-CB 4.06Å; I212-A468 HydrophobicContact CD1-CB 4Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.1Å; Y465-A468 PolarHBondContact O-N 2.81Å; A468-N471 PolarHBondContact O-N 3.44Å
469	W	96.2	Very high	96.3	Very high	65 Å²	65	29.6 Å²	29.6	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-41	176.2	-174	94.7	0	0	0	112	L205 S207 F352 K355 V356 Y465 T466 N471	L205-W469 HydrophobicContact CD2-CB 4.16Å; L205-W469 HydrophobicContact CD2-CG 4.22Å; S207-W469 PolarHBondContact OG-O 2.89Å; F352-W469 HydrophobicContact CD2-CB 4.42Å; F352-W469 AromaticContact CD2-CD2 3.99Å; F352-W469 HydrophobicContact CD2-CD2 3.99Å; F352-W469 AromaticContact CD2-CE3 3.6Å; F352-W469 HydrophobicContact CD2-CE3 3.6Å; F352-W469 HydrophobicContact CD2-CG 4.34Å; F352-W469 HydrophobicContact CD2-CZ3 4.19Å; F352-W469 HydrophobicContact CE2-CB 3.89Å; F352-W469 AromaticContact CE2-CD2 3.57Å; F352-W469 HydrophobicContact CE2-CD2 3.57Å; F352-W469 AromaticContact CE2-CE3 3.7Å; F352-W469 HydrophobicContact CE2-CE3 3.7Å; F352-W469 AromaticContact CE2-CG 3.64Å; F352-W469 HydrophobicContact CE2-CG 3.64Å; F352-W469 HydrophobicContact CE2-CZ3 4.44Å; K355-W469 HydrophobicContact CB-CH2 4.01Å; K355-W469 HydrophobicContact CB-CZ3 3.98Å; K355-W469 HydrophobicContact CD-CZ3 4.21Å; V356-W469 HydrophobicContact CG2-CH2 3.74Å; V356-W469 HydrophobicContact CG2-CZ2 3.69Å; V356-W469 HydrophobicContact CG2-CZ3 4.19Å; Y465-W469 WeakPolarHBondContact O-CB 3.29Å; Y465-W469 PolarHBondContact O-N 2.88Å; T466-W469 PolarHBondContact O-N 3.49Å; W469-N471 PolarHBondContact O-N 2.88Å
470	L	95.8	Very high	96.2	Very high	18 Å²	18	30.6 Å²	30.6	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-73.1	-13.4	176.4	-68.7	169	0	0	0	113.5	L348 K355 T466 L467 W472	L348-L470 HydrophobicContact CD1-CD1 3.74Å; K355-L470 HydrophobicContact CD-CD2 3.79Å; T466-L470 HydrophobicContact CG2-CD1 3.9Å; T466-L470 WeakPolarHBondContact O-CB 3.36Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.47Å; T466-L470 PolarHBondContact O-N 3.45Å; L467-L470 PolarHBondContact O-N 3.41Å; L470-W472 VanDerWaalsContact C-N 3.29Å; L470-W472 HydrophobicContact CB-CB 4.04Å; L470-W472 HydrophobicContact CB-CD2 3.87Å; L470-W472 HydrophobicContact CB-CE3 4.5Å; L470-W472 HydrophobicContact CB-CG 3.62Å; L470-W472 HydrophobicContact CD1-CD2 3.95Å; L470-W472 HydrophobicContact CD1-CE3 3.76Å; L470-W472 HydrophobicContact CD1-CG 4.49Å; L470-W472 HydrophobicContact CD1-CZ3 4.05Å; L470-W472 HydrophobicContact CG-CD2 4.43Å
471	N	95.5	Very high	96.1	Very high	118 Å²	118	31.8 Å²	31.8	63%	0.631	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	47	-165.8	-167.1	27.8	0	0	0	111.9	S207 L467 A468 W469	S207-N471 PolarHBondContact O-OD1 3.24Å; L467-N471 PolarHBondContact O-N 2.86Å; A468-N471 PolarHBondContact O-N 3.44Å; W469-N471 PolarHBondContact O-N 2.88Å
472	W	95.3	Very high	95.9	Very high	55 Å²	55	35.4 Å²	35.4	21%	0.208	20%	0.2	C	C	.	.			trans	-106.7	135.4	-175.1	-81	12.1	0	0	0	112.1	L348 H351 L467 L470 N476 M480	L348-W472 HydrophobicContact CD1-CE3 4.2Å; L348-W472 HydrophobicContact CD1-CZ3 4.34Å; H351-W472 AromaticContact CD2-CH2 3.72Å; H351-W472 AromaticContact CE1-CH2 3.5Å; H351-W472 VanDerWaalsContact CE1-CH2 3.5Å; H351-W472 WeakPolarHBondContact CE1-CH2 3.31Å; H351-W472 AromaticContact CE1-CZ2 3.82Å; H351-W472 AromaticContact CG-CH2 3.96Å; H351-W472 AromaticContact ND1-CH2 3.81Å; H351-W472 AromaticContact NE2-CH2 3.44Å; H351-W472 WeakPolarHBondContact NE2-CH2 3.35Å; H351-W472 AromaticContact NE2-CZ2 3.53Å; L467-W472 HydrophobicContact CD2-CB 4.01Å; L467-W472 PolarHBondContact O-N 2.76Å; L470-W472 VanDerWaalsContact C-N 3.29Å; L470-W472 HydrophobicContact CB-CB 4.04Å; L470-W472 HydrophobicContact CB-CD2 3.87Å; L470-W472 HydrophobicContact CB-CE3 4.5Å; L470-W472 HydrophobicContact CB-CG 3.62Å; L470-W472 HydrophobicContact CD1-CD2 3.95Å; L470-W472 HydrophobicContact CD1-CE3 3.76Å; L470-W472 HydrophobicContact CD1-CG 4.49Å; L470-W472 HydrophobicContact CD1-CZ3 4.05Å; L470-W472 HydrophobicContact CG-CD2 4.43Å; W472-N476 HydrophobicContact CB-CB 3.9Å; W472-N476 HydrophobicContact CD2-CB 3.97Å; W472-N476 HydrophobicContact CE3-CB 4.4Å; W472-N476 HydrophobicContact CG-CB 3.73Å; W472-M480 HydrophobicContact CH2-CG 4.34Å; W472-M480 HydrophobicContact CZ3-CE 4.35Å; W472-M480 HydrophobicContact CZ3-CG 3.92Å; W472-M480 HydrophobicContact CZ3-SD 3.85Å
473	S	92.1	Very high	95.6	Very high	47 Å²	47	38.5 Å²	38.5	33%	0.329	22%	0.216	S	C	.	.			trans	-79.5	168.2	163.4	69.4	0	0	0	0	111	V475 N476 W477	S473-V475 PolarHBondContact O-N 2.94Å; S473-V475 PolarHBondContact OG-N 3.44Å; S473-N476 WeakPolarHBondContact CB-OD1 2.88Å; S473-N476 PolarHBondContact N-OD1 3.01Å; S473-N476 WeakPolarHBondContact O-CB 3.27Å; S473-N476 PolarHBondContact O-N 3.37Å; S473-N476 PolarHBondContact OG-N 2.87Å; S473-N476 PolarHBondContact OG-OD1 3.43Å; S473-W477 PolarHBondContact O-N 3.37Å
474	F	91.3	Very high	95.4	Very high	10 Å²	10	39.1 Å²	39.1	4%	0.044	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-30	171.4	-87.9	-143.3	0	0	0	112	D288 R289 Y302 L340 L467 N476 W477 F478	D288-F474 WeakPolarHBondContact O-CD1 3.49Å; R289-F474 HydrophobicContact CB-CE1 4.35Å; R289-F474 HydrophobicContact CB-CZ 4.38Å; R289-F474 HydrophobicContact CG-CD1 4.1Å; R289-F474 HydrophobicContact CG-CD2 3.96Å; R289-F474 HydrophobicContact CG-CE1 3.57Å; R289-F474 HydrophobicContact CG-CE2 3.41Å; R289-F474 VanDerWaalsContact CG-CE2 3.41Å; R289-F474 HydrophobicContact CG-CG 4.28Å; R289-F474 HydrophobicContact CG-CZ 3.18Å; Y302-F474 AromaticContact CD1-CE1 3.58Å; Y302-F474 HydrophobicContact CD1-CE1 3.58Å; Y302-F474 HydrophobicContact CD1-CE2 4.38Å; Y302-F474 AromaticContact CD1-CZ 3.23Å; Y302-F474 HydrophobicContact CD1-CZ 3.23Å; Y302-F474 HydrophobicContact CE1-CE1 4.36Å; Y302-F474 HydrophobicContact CE1-CE2 4.49Å; Y302-F474 AromaticContact CE1-CZ 3.58Å; Y302-F474 HydrophobicContact CE1-CZ 3.58Å; Y302-F474 HydrophobicContact CG-CE1 4.33Å; Y302-F474 HydrophobicContact CG-CZ 4.18Å; L340-F474 HydrophobicContact CD1-CD1 3.68Å; L340-F474 HydrophobicContact CD1-CE1 4.08Å; L340-F474 HydrophobicContact CD1-CG 4.19Å; L467-F474 HydrophobicContact CD1-CD2 3.99Å; L467-F474 HydrophobicContact CD1-CE2 3.54Å; F474-N476 VanDerWaalsContact C-N 3.34Å; F474-W477 HydrophobicContact CD2-CE3 4.39Å; F474-W477 HydrophobicContact CE2-CE3 4.29Å; F474-W477 HydrophobicContact CE2-CZ3 4.4Å; F474-W477 HydrophobicContact CZ-CZ3 4.26Å; F474-W477 PolarHBondContact O-N 3.18Å; F474-F478 WeakPolarHBondContact O-CB 3.43Å; F474-F478 PolarHBondContact O-N 3.49Å
475	V	91.5	Very high	95.3	Very high	74 Å²	74	40.2 Å²	40.2	45%	0.448	23%	0.227	S	C	.	.	H	α-helix	trans	-65.1	-40.2	173.5	179.4	0	0	0	0	110.6	S473 S479	S473-V475 PolarHBondContact O-N 2.94Å; S473-V475 PolarHBondContact OG-N 3.44Å; V475-S479 VanDerWaalsContact O-CB 3.22Å; V475-S479 WeakPolarHBondContact O-CB 3.34Å; V475-S479 PolarHBondContact O-N 3.37Å; V475-S479 PolarHBondContact O-OG 3.42Å
476	N	95.2	Very high	95.1	Very high	75 Å²	75	42.9 Å²	42.9	40%	0.401	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-44.5	175.8	-58.7	116.5	0	0	0	111.3	W472 S473 F474 S479	W472-N476 HydrophobicContact CB-CB 3.9Å; W472-N476 HydrophobicContact CD2-CB 3.97Å; W472-N476 HydrophobicContact CE3-CB 4.4Å; W472-N476 HydrophobicContact CG-CB 3.73Å; S473-N476 WeakPolarHBondContact CB-OD1 2.88Å; S473-N476 PolarHBondContact N-OD1 3.01Å; S473-N476 WeakPolarHBondContact O-CB 3.27Å; S473-N476 PolarHBondContact O-N 3.37Å; S473-N476 PolarHBondContact OG-N 2.87Å; S473-N476 PolarHBondContact OG-OD1 3.43Å; F474-N476 VanDerWaalsContact C-N 3.34Å; N476-S479 PolarHBondContact O-N 3.28Å
477	W	97.1	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-46.6	176.3	-176.9	13.9	0	0	0	111.9	Y302 L340 R344 I345 L348 V463 L467 S473 F474 S479 M480	Y302-W477 HydrophobicContact CD1-CZ3 4.14Å; Y302-W477 AromaticContact CD2-CH2 3.6Å; Y302-W477 HydrophobicContact CD2-CH2 3.6Å; Y302-W477 AromaticContact CD2-CZ3 3.87Å; Y302-W477 HydrophobicContact CD2-CZ3 3.87Å; Y302-W477 HydrophobicContact CE2-CH2 4.27Å; Y302-W477 HydrophobicContact CE2-CZ3 4.44Å; Y302-W477 AromaticContact CG-CH2 3.8Å; Y302-W477 HydrophobicContact CG-CH2 3.8Å; Y302-W477 AromaticContact CG-CZ3 3.66Å; Y302-W477 HydrophobicContact CG-CZ3 3.66Å; L340-W477 HydrophobicContact CB-CE3 4.46Å; L340-W477 HydrophobicContact CB-CH2 4Å; L340-W477 HydrophobicContact CB-CZ2 4.14Å; L340-W477 HydrophobicContact CB-CZ3 4.17Å; L340-W477 HydrophobicContact CD1-CD2 4.13Å; L340-W477 HydrophobicContact CD1-CE3 3.68Å; L340-W477 HydrophobicContact CD1-CZ3 3.93Å; L340-W477 HydrophobicContact CD2-CD2 3.85Å; L340-W477 HydrophobicContact CD2-CE3 4.26Å; L340-W477 HydrophobicContact CD2-CG 3.99Å; L340-W477 HydrophobicContact CG-CD2 4.42Å; L340-W477 HydrophobicContact CG-CE3 4.36Å; R344-W477 HydrophobicContact CB-CZ2 4.09Å; R344-W477 PolarHBondContact O-NE1 2.68Å; I345-W477 HydrophobicContact CB-CZ2 4.46Å; I345-W477 HydrophobicContact CG1-CH2 3.96Å; I345-W477 HydrophobicContact CG1-CZ2 3.8Å; L348-W477 HydrophobicContact CB-CZ2 4.46Å; L348-W477 HydrophobicContact CD1-CG 4.44Å; L348-W477 HydrophobicContact CD2-CD2 4.08Å; L348-W477 HydrophobicContact CD2-CE3 4.45Å; L348-W477 HydrophobicContact CD2-CH2 4.44Å; L348-W477 HydrophobicContact CD2-CZ2 4.06Å; V463-W477 HydrophobicContact CG1-CH2 3.9Å; V463-W477 HydrophobicContact CG1-CZ3 3.75Å; L467-W477 HydrophobicContact CD1-CE3 4Å; L467-W477 HydrophobicContact CD1-CZ3 4.36Å; L467-W477 HydrophobicContact CD2-CB 4Å; L467-W477 HydrophobicContact CD2-CD2 4.35Å; L467-W477 HydrophobicContact CD2-CE3 4.24Å; L467-W477 HydrophobicContact CD2-CG 4.28Å; S473-W477 PolarHBondContact O-N 3.37Å; F474-W477 HydrophobicContact CD2-CE3 4.39Å; F474-W477 HydrophobicContact CE2-CE3 4.29Å; F474-W477 HydrophobicContact CE2-CZ3 4.4Å; F474-W477 HydrophobicContact CZ-CZ3 4.26Å; F474-W477 PolarHBondContact O-N 3.18Å; W477-S479 PolarHBondContact O-N 3.4Å; W477-M480 WeakPolarHBondContact O-CB 3.22Å; W477-M480 WeakPolarHBondContact O-CG 3.49Å; W477-M480 PolarHBondContact O-N 3.45Å
478	F	94.7	Very high	94.7	Very high	56 Å²	56	51.4 Å²	51.4	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-31.3	176.5	-172.6	-96.5	0	0	0	112.5	E338 L340 R344 F474 M480	E338-F478 HydrophobicContact CB-CD2 4.5Å; E338-F478 HydrophobicContact CB-CE2 3.87Å; E338-F478 HydrophobicContact CB-CZ 4.22Å; E338-F478 HydrophobicContact CG-CZ 4.41Å; E338-F478 WeakPolarHBondContact OE2-CE1 3.46Å; E338-F478 VanDerWaalsContact OE2-CE2 3.3Å; E338-F478 WeakPolarHBondContact OE2-CE2 3.34Å; E338-F478 WeakPolarHBondContact OE2-CZ 3.34Å; L340-F478 HydrophobicContact CD2-CB 4.06Å; L340-F478 HydrophobicContact CD2-CD2 3.98Å; L340-F478 HydrophobicContact CG-CD2 4.36Å; R344-F478 PolarHBondContact NH1-O 2.87Å; F474-F478 WeakPolarHBondContact O-CB 3.43Å; F474-F478 PolarHBondContact O-N 3.49Å; F478-M480 VanDerWaalsContact C-N 3.28Å; F478-M480 PolarHBondContact O-N 3.22Å
479	S	95.6	Very high	94.6	Very high	81 Å²	81	53.6 Å²	53.6	57%	0.566	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	3.1	-178.8	-56.9	0	0	0	0	114.5	V475 N476 W477 Y481	V475-S479 VanDerWaalsContact O-CB 3.22Å; V475-S479 WeakPolarHBondContact O-CB 3.34Å; V475-S479 PolarHBondContact O-N 3.37Å; V475-S479 PolarHBondContact O-OG 3.42Å; N476-S479 PolarHBondContact O-N 3.28Å; W477-S479 PolarHBondContact O-N 3.4Å; S479-Y481 VanDerWaalsContact C-N 3.26Å; S479-Y481 PolarHBondContact O-N 3.48Å
480	M	96.6	Very high	94.5	Very high	22 Å²	22	55.1 Å²	55.1	11%	0.108	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-39.5	179.3	-71.7	174.9	76.7	0	0	112.7	C347 H351 Y383 W472 W477 F478	C347-M480 HydrophobicContact CB-CE 3.82Å; C347-M480 WeakPolarHBondContact O-CE 3.29Å; H351-M480 HydrophobicContact CB-CE 3.88Å; Y383-M480 HydrophobicContact CD1-CE 4.34Å; Y383-M480 VanDerWaalsContact CD2-O 3.23Å; Y383-M480 WeakPolarHBondContact CD2-O 3.48Å; Y383-M480 HydrophobicContact CE1-CE 3.33Å; Y383-M480 HydrophobicContact CE2-CB 4.17Å; Y383-M480 HydrophobicContact CE2-CE 4.43Å; Y383-M480 WeakPolarHBondContact CE2-O 3.33Å; Y383-M480 WeakPolarHBondContact OH-CE 3.46Å; W472-M480 HydrophobicContact CH2-CG 4.34Å; W472-M480 HydrophobicContact CZ3-CE 4.35Å; W472-M480 HydrophobicContact CZ3-CG 3.92Å; W472-M480 HydrophobicContact CZ3-SD 3.85Å; W477-M480 WeakPolarHBondContact O-CB 3.22Å; W477-M480 WeakPolarHBondContact O-CG 3.49Å; W477-M480 PolarHBondContact O-N 3.45Å; F478-M480 VanDerWaalsContact C-N 3.28Å; F478-M480 PolarHBondContact O-N 3.22Å
481	Y	96.6	Very high	94.6	Very high	26 Å²	26	54.6 Å²	54.6	10%	0.102	30%	0.301	C	S	.	.			trans	-154.8	167.2	172.3	54.1	-88.6	0	0	0	109	R344 C347 A379 S380 Y383 S479 D483	R344-Y481 VanDerWaalsContact CD-CZ 3.43Å; R344-Y481 VanDerWaalsContact CD-OH 3.23Å; R344-Y481 WeakPolarHBondContact CD-OH 3.39Å; R344-Y481 WeakPolarHBondContact CG-OH 3.45Å; R344-Y481 VanDerWaalsContact CZ-O 3.29Å; R344-Y481 PolarHBondContact N-OH 3.46Å; R344-Y481 VanDerWaalsContact NE-CE2 3.27Å; R344-Y481 PolarHBondContact NE-OH 3.5Å; R344-Y481 PolarHBondContact NH1-O 2.8Å; R344-Y481 PolarHBondContact NH2-O 3.01Å; C347-Y481 HydrophobicContact CB-CE1 3.9Å; C347-Y481 VanDerWaalsContact SG-CE1 3.51Å; A379-Y481 HydrophobicContact CB-CD2 3.7Å; A379-Y481 HydrophobicContact CB-CE2 4.35Å; A379-Y481 HydrophobicContact CB-CG 4.46Å; S380-Y481 VanDerWaalsContact CB-CZ 3.41Å; S380-Y481 WeakPolarHBondContact CB-OH 3.43Å; Y383-Y481 HydrophobicContact CD1-CD1 4.13Å; Y383-Y481 HydrophobicContact CD1-CE1 4.45Å; Y383-Y481 HydrophobicContact CD2-CD1 4.26Å; Y383-Y481 AromaticContact CG-CD1 3.79Å; Y383-Y481 HydrophobicContact CG-CD1 3.79Å; S479-Y481 VanDerWaalsContact C-N 3.26Å; S479-Y481 PolarHBondContact O-N 3.48Å; Y481-D483 WeakPolarHBondContact CD2-OD1 3.39Å; Y481-D483 WeakPolarHBondContact CE2-OD1 3.48Å
482	A	94.7	Very high	94.6	Very high	81 Å²	81	52 Å²	52	67%	0.669	29%	0.29	S	S	*	.			trans	-104.6	124	170.9	0	0	0	0	0	108.6	A379	A379-A482 WeakPolarHBondContact CB-O 3.42Å
483	D	93.9	Very high	94.7	Very high	65 Å²	65	49.4 Å²	49.4	35%	0.348	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.6	139.4	175.3	-73.7	12.9	0	0	0	109.4	R344 Y481	R344-D483 IonicContact CZ-OD1 3.27Å; R344-D483 IonicContact NE-OD1 3.1Å; R344-D483 PolarHBondContact NE-OD1 2.86Å; R344-D483 IonicContact NH2-OD1 3.54Å; R344-D483 PolarHBondContact NH2-OD1 3.25Å; Y481-D483 WeakPolarHBondContact CD2-OD1 3.39Å; Y481-D483 WeakPolarHBondContact CE2-OD1 3.48Å
484	L	94.6	Very high	94.8	Very high	13 Å²	13	50 Å²	50	7%	0.068	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.9	139	163.1	-62.5	177.7	0	0	0	108.8	N377 S486 T534 E553 S554 Y555	N377-L484 PolarHBondContact ND2-N 3.42Å; N377-L484 PolarHBondContact ND2-O 3.13Å; N377-L484 PolarHBondContact OD1-N 3.36Å; N377-L484 VanDerWaalsContact OD1-N 3.16Å; L484-S486 PolarHBondContact O-N 3.02Å; L484-S486 VanDerWaalsContact O-N 3.16Å; L484-T534 WeakPolarHBondContact CD1-O 3.31Å; L484-E553 HydrophobicContact CB-CG 3.46Å; L484-E553 VanDerWaalsContact CB-CG 3.46Å; L484-E553 VanDerWaalsContact CB-OE1 3.26Å; L484-E553 WeakPolarHBondContact CB-OE1 3.47Å; L484-E553 HydrophobicContact CD1-CG 3.95Å; L484-E553 VanDerWaalsContact CD1-OE1 3.31Å; L484-E553 WeakPolarHBondContact CD1-OE1 3.34Å; L484-E553 HydrophobicContact CG-CG 4.33Å; L484-S554 WeakPolarHBondContact CB-O 3.42Å; L484-Y555 HydrophobicContact CD2-CD2 3.95Å
485	P	94.2	Very high	94.9	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.143	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-49.1	124.1	170.2	-30.6	35.5	0	0	0	111.2	E553 S554 T560	P485-E553 WeakPolarHBondContact O-CA 3.46Å; P485-S554 VanDerWaalsContact CD-O 3.27Å; P485-S554 WeakPolarHBondContact CD-O 3.32Å; P485-S554 PolarHBondContact O-N 3.23Å; P485-S554 VanDerWaalsContact O-N 3.14Å; P485-T560 VanDerWaalsContact O-CG2 3.31Å; P485-T560 WeakPolarHBondContact O-CG2 3.33Å; P485-T560 PolarHBondContact O-OG1 2.98Å
486	S	95	Very high	95	Very high	62 Å²	62	51.6 Å²	51.6	43%	0.434	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.3	179.2	65.8	0	0	0	0	111.5	L484 Y551 A552	L484-S486 PolarHBondContact O-N 3.02Å; L484-S486 VanDerWaalsContact O-N 3.16Å; S486-Y551 WeakPolarHBondContact CB-OH 3.33Å; S486-A552 CarbonylContact C-O 3.52Å; S486-A552 VanDerWaalsContact CA-O 3.23Å; S486-A552 WeakPolarHBondContact CA-O 3.12Å
487	K	93.6	Very high	94.8	Very high	78 Å²	78	52.1 Å²	52.1	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	134.2	-179.5	-165.7	164.4	-171	176.5	0	111.2	L489 A552 T560 D561	K487-L489 HydrophobicContact CG-CD2 4.4Å; K487-L489 HydrophobicContact CG-CG 4.49Å; K487-A552 PolarHBondContact N-O 3.36Å; K487-A552 PolarHBondContact O-N 3.02Å; K487-T560 HydrophobicContact CB-CG2 3.82Å; K487-D561 VanDerWaalsContact CD-OD1 3.25Å; K487-D561 WeakPolarHBondContact CD-OD1 3.47Å; K487-D561 IonicContact NZ-OD1 2.61Å; K487-D561 PolarHBondContact NZ-OD1 3.48Å
488	Q	93.2	Very high	94.6	Very high	102 Å²	102	57.4 Å²	57.4	48%	0.477	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131	174.8	-67.2	-175.3	31.1	0	0	110.4	Y375 I550 Y551	Y375-Q488 HydrophobicContact CD1-CG 4.46Å; Y375-Q488 HydrophobicContact CE1-CG 4.5Å; Q488-I550 CarbonylContact C-O 3.54Å; Q488-I550 VanDerWaalsContact CA-O 3.23Å; Q488-I550 WeakPolarHBondContact CA-O 3.39Å; Q488-Y551 HydrophobicContact CG-CD2 3.72Å; Q488-Y551 HydrophobicContact CG-CE2 4.42Å
489	L	94.5	Very high	94.6	Very high	56 Å²	56	54.9 Å²	54.9	29%	0.293	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	170.2	176.1	-60.7	177.4	0	0	0	110.3	K487 I550 S564 A568	K487-L489 HydrophobicContact CG-CD2 4.4Å; K487-L489 HydrophobicContact CG-CG 4.49Å; L489-I550 HydrophobicContact CB-CB 4.16Å; L489-I550 HydrophobicContact CB-CD1 4.28Å; L489-I550 PolarHBondContact N-O 3.09Å; L489-I550 PolarHBondContact O-N 3.45Å; L489-S564 WeakPolarHBondContact CD1-O 3.46Å; L489-A568 HydrophobicContact CD1-CB 4.03Å
490	K	94.6	Very high	94.7	Very high	97 Å²	97	56.3 Å²	56.3	42%	0.422	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.9	178	179.4	-177.1	179	179.8	0	109.3	E545 T547 V548	K490-E545 WeakPolarHBondContact CE-OE2 3.25Å; K490-E545 IonicContact NZ-OE2 2.95Å; K490-E545 PolarHBondContact NZ-OE2 3.08Å; K490-T547 HydrophobicContact CD-CG2 4.46Å; K490-T547 WeakPolarHBondContact CE-OG1 3.47Å; K490-V548 WeakPolarHBondContact CA-O 3.47Å
491	V	96.6	Very high	94.7	Very high	6 Å²	6	57 Å²	57	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.6	172.4	168.3	0	0	0	0	109.1	V493 T547 V548 I550 A568 T571 Y572 P582	V491-V493 HydrophobicContact CG1-CG1 4.15Å; V491-T547 CarbonylContact O-C 3.54Å; V491-T547 VanDerWaalsContact O-CA 3.26Å; V491-T547 WeakPolarHBondContact O-CA 3.22Å; V491-V548 PolarHBondContact N-O 2.97Å; V491-V548 PolarHBondContact O-N 3.4Å; V491-I550 HydrophobicContact CB-CD1 4.05Å; V491-I550 HydrophobicContact CG2-CD1 3.38Å; V491-A568 HydrophobicContact CG2-CB 4.02Å; V491-T571 HydrophobicContact CB-CG2 4.4Å; V491-T571 HydrophobicContact CG1-CG2 4.32Å; V491-Y572 HydrophobicContact CG1-CD2 4.09Å; V491-P582 HydrophobicContact CG2-CG 3.81Å
492	T	96.9	Very high	94.7	Very high	65 Å²	65	57.8 Å²	57.8	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.9	172.8	-52.3	0	0	0	0	109.5	T547 G577 I578	T492-T547 HydrophobicContact CG2-CG2 4.33Å; T492-G577 VanDerWaalsContact O-CA 3.29Å; T492-G577 WeakPolarHBondContact O-CA 3.49Å; T492-I578 HydrophobicContact CG2-CD1 3.99Å; T492-I578 HydrophobicContact CG2-CG1 3.67Å; T492-I578 PolarHBondContact O-N 3.44Å
493	V	96.2	Very high	94.6	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-126.7	155.9	-178.3	-65.8	0	0	0	0	110.5	V491 R496 N546 V548 A575 G576	V491-V493 HydrophobicContact CG1-CG1 4.15Å; V493-R496 HydrophobicContact CG2-CB 4.03Å; V493-N546 PolarHBondContact N-O 3.23Å; V493-N546 WeakPolarHBondContact O-CB 3.13Å; V493-N546 VanDerWaalsContact O-O 3.08Å; V493-V548 HydrophobicContact CB-CG2 4.34Å; V493-V548 HydrophobicContact CG1-CG2 3.59Å; V493-V548 HydrophobicContact CG2-CG2 3.77Å; V493-A575 HydrophobicContact CG1-CB 4.19Å; V493-G576 WeakPolarHBondContact CA-O 3.41Å
494	A	95	Very high	94.5	Very high	60 Å²	60	60.3 Å²	60.3	50%	0.496	31%	0.308	S	S	.	.	S	Bend	trans	-64.6	-42.2	178	0	0	0	0	0	112.2	G576 I578	A494-G576 PolarHBondContact N-O 3.13Å; A494-I578 HydrophobicContact CB-CG2 3.93Å
495	N	93.3	Very high	94.5	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	31%	0.31	S	S	.	.			trans	-146.6	108.9	179	-176.8	-3	0	0	0	110.4	D497 L498	N495-D497 VanDerWaalsContact C-N 3.26Å; N495-D497 PolarHBondContact O-N 3.36Å; N495-D497 WeakPolarHBondContact OD1-CB 3.39Å; N495-D497 PolarHBondContact OD1-N 2.93Å; N495-L498 HydrophobicContact CB-CD1 4.09Å; N495-L498 HydrophobicContact CB-CG 4.15Å
496	R	92.3	Very high	94.6	Very high	54 Å²	54	65.9 Å²	65.9	20%	0.204	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-69.1	-24.9	-180	77.5	-164.2	-170.7	-85.1	4.4	113.3	V493 L498 I499 P541 S542 G543 E545 N546	V493-R496 HydrophobicContact CG2-CB 4.03Å; R496-L498 PolarHBondContact O-N 2.65Å; R496-I499 WeakPolarHBondContact O-CB 3.31Å; R496-I499 PolarHBondContact O-N 3.05Å; R496-P541 HydrophobicContact CB-CB 4.1Å; R496-P541 HydrophobicContact CG-CB 4.44Å; R496-S542 WeakPolarHBondContact CD-O 3.33Å; R496-S542 PolarHBondContact NE-O 2.84Å; R496-G543 PolarHBondContact NH2-O 3.49Å; R496-E545 WeakPolarHBondContact CD-O 3.3Å; R496-N546 PolarHBondContact NH1-OD1 3.1Å
497	D	92.3	Very high	94.7	Very high	87 Å²	87	68.3 Å²	68.3	47%	0.465	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-71.2	-14.3	-173.2	-60.7	-34.2	0	0	0	112.5	N495 K500	N495-D497 VanDerWaalsContact C-N 3.26Å; N495-D497 PolarHBondContact O-N 3.36Å; N495-D497 WeakPolarHBondContact OD1-CB 3.39Å; N495-D497 PolarHBondContact OD1-N 2.93Å; D497-K500 WeakPolarHBondContact O-CE 3.46Å; D497-K500 PolarHBondContact O-NZ 3.3Å
498	L	92.4	Very high	94.9	Very high	110 Å²	110	64.8 Å²	64.8	58%	0.576	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-70.9	-21.5	171.6	-61.7	179.2	0	0	0	112.5	N495 R496	N495-L498 HydrophobicContact CB-CD1 4.09Å; N495-L498 HydrophobicContact CB-CG 4.15Å; R496-L498 PolarHBondContact O-N 2.65Å
499	I	95.6	Very high	95.1	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.021	31%	0.311	C	S	.	.			trans	-89	114.4	175.3	-59	157.9	0	0	0	108.3	R496 V501 V508 S510 P541 V548 A575	R496-I499 WeakPolarHBondContact O-CB 3.31Å; R496-I499 PolarHBondContact O-N 3.05Å; I499-V501 HydrophobicContact CG2-CG1 4.29Å; I499-V508 HydrophobicContact CG2-CG1 4.42Å; I499-V508 HydrophobicContact CG2-CG2 4.48Å; I499-S510 CarbonylContact C-O 3.54Å; I499-S510 VanDerWaalsContact CA-O 3.26Å; I499-S510 WeakPolarHBondContact CA-O 3.38Å; I499-P541 HydrophobicContact CG2-CG 4.43Å; I499-V548 HydrophobicContact CD1-CB 4.32Å; I499-V548 HydrophobicContact CD1-CG1 4.19Å; I499-V548 HydrophobicContact CD1-CG2 3.17Å; I499-A575 HydrophobicContact CD1-CB 3.68Å; I499-A575 HydrophobicContact CG1-CB 3.97Å
500	K	96.4	Very high	95.2	Very high	110 Å²	110	63.4 Å²	63.4	48%	0.478	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.2	171.1	-56.6	-53.3	-172	-162.1	0	108.9	D497 V508 T509 S510	D497-K500 WeakPolarHBondContact O-CE 3.46Å; D497-K500 PolarHBondContact O-NZ 3.3Å; K500-V508 CarbonylContact O-C 3.56Å; K500-V508 WeakPolarHBondContact O-CA 3.36Å; K500-T509 VanDerWaalsContact C-OG1 3.28Å; K500-T509 VanDerWaalsContact CB-OG1 3.3Å; K500-T509 WeakPolarHBondContact CB-OG1 3.44Å; K500-T509 PolarHBondContact O-N 3.09Å; K500-T509 PolarHBondContact O-OG1 2.83Å; K500-S510 PolarHBondContact N-O 3.09Å; K500-S510 PolarHBondContact O-N 3.42Å
501	V	96.7	Very high	95.3	Very high	37 Å²	37	60.2 Å²	60.2	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	163.6	-179.6	-64.6	0	0	0	0	110.5	I499 E505 R507 V508	I499-V501 HydrophobicContact CG2-CG1 4.29Å; V501-E505 HydrophobicContact CG2-CB 4.47Å; V501-E505 HydrophobicContact CG2-CG 4.28Å; V501-R507 CarbonylContact C-O 3.56Å; V501-R507 WeakPolarHBondContact CA-O 3.34Å; V501-R507 WeakPolarHBondContact CB-O 3.49Å; V501-V508 HydrophobicContact CG1-CG2 4.37Å
502	T	96.5	Very high	95.3	Very high	43 Å²	43	64.2 Å²	64.2	26%	0.264	32%	0.323	S	S	.	.			trans	-61.9	161	166.8	50	0	0	0	0	110.6	D504 E505 R507 T509	T502-D504 VanDerWaalsContact CB-OD1 3.29Å; T502-D504 WeakPolarHBondContact CB-OD1 3.33Å; T502-D504 PolarHBondContact O-N 3.23Å; T502-D504 PolarHBondContact OG1-OD1 3.35Å; T502-E505 WeakPolarHBondContact O-CA 3.44Å; T502-E505 PolarHBondContact O-N 3.03Å; T502-R507 HydrophobicContact CG2-CB 3.91Å; T502-R507 PolarHBondContact N-O 3.06Å; T502-R507 PolarHBondContact OG1-N 3.44Å; T502-R507 VanDerWaalsContact OG1-N 3.14Å; T502-R507 PolarHBondContact OG1-O 2.81Å; T502-T509 HydrophobicContact CG2-CG2 3.86Å
503	W	93.7	Very high	95.3	Very high	169 Å²	169	66.4 Å²	66.4	64%	0.64	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.5	-177.5	179.4	83.4	0	0	0	113.2	C394 V395 P396 E505	C394-W503 WeakPolarHBondContact O-CZ3 3.34Å; V395-W503 HydrophobicContact CB-CH2 3.89Å; V395-W503 HydrophobicContact CB-CZ3 4.28Å; V395-W503 HydrophobicContact CG1-CH2 3.68Å; V395-W503 HydrophobicContact CG1-CZ3 4.14Å; P396-W503 WeakPolarHBondContact CB-O 3.37Å; P396-W503 WeakPolarHBondContact CD-O 3.5Å; P396-W503 HydrophobicContact CG-CD2 4.19Å; P396-W503 HydrophobicContact CG-CZ2 4.15Å; P396-W503 WeakPolarHBondContact CG-O 3.38Å; W503-E505 PolarHBondContact O-N 3.5Å
504	D	92.1	Very high	95.4	Very high	30 Å²	30	66.4 Å²	66.4	16%	0.16	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.2	175.4	65.4	-5.8	0	0	0	113.8	T502 R506	T502-D504 VanDerWaalsContact CB-OD1 3.29Å; T502-D504 WeakPolarHBondContact CB-OD1 3.33Å; T502-D504 PolarHBondContact O-N 3.23Å; T502-D504 PolarHBondContact OG1-OD1 3.35Å; D504-R506 PolarHBondContact O-N 3.04Å; D504-R506 VanDerWaalsContact O-N 3.08Å; D504-R506 PolarHBondContact OD1-N 3.47Å; D504-R506 IonicContact OD2-CZ 3Å; D504-R506 IonicContact OD2-NE 3.7Å; D504-R506 PolarHBondContact OD2-NE 3.47Å; D504-R506 IonicContact OD2-NH2 2.96Å; D504-R506 PolarHBondContact OD2-NH2 3.12Å
505	E	94.3	Very high	95.6	Very high	23 Å²	23	63.8 Å²	63.8	11%	0.107	31%	0.307	C	S	.	.	S	Bend	trans	61	12	178.8	-55	-179	128.2	0	0	115.5	P396 T397 V501 T502 W503 F538 R540	P396-E505 HydrophobicContact CB-CG 3.94Å; T397-E505 WeakPolarHBondContact CB-OE2 3.4Å; T397-E505 PolarHBondContact N-OE2 3.08Å; T397-E505 PolarHBondContact OG1-OE2 3.26Å; V501-E505 HydrophobicContact CG2-CB 4.47Å; V501-E505 HydrophobicContact CG2-CG 4.28Å; T502-E505 WeakPolarHBondContact O-CA 3.44Å; T502-E505 PolarHBondContact O-N 3.03Å; W503-E505 PolarHBondContact O-N 3.5Å; E505-F538 WeakPolarHBondContact O-CD2 3.45Å; E505-R540 HydrophobicContact CB-CG 4.23Å; E505-R540 VanDerWaalsContact CD-CD 3.44Å; E505-R540 HydrophobicContact CG-CG 4.38Å; E505-R540 WeakPolarHBondContact OE1-CD 3.44Å; E505-R540 IonicContact OE1-NH1 3.27Å; E505-R540 PolarHBondContact OE1-NH1 3.18Å; E505-R540 WeakPolarHBondContact OE2-CD 3.44Å; E505-R540 IonicContact OE2-NH1 2.78Å
506	R	94.7	Very high	95.8	Very high	129 Å²	129	65 Å²	65	49%	0.487	31%	0.312	S	S	.	.	S	Bend	trans	-88.7	-15.5	-175.8	-67.8	-171.7	-61.7	178.4	-1.9	114.7	A374 D504 F538	A374-R506 HydrophobicContact CB-CG 3.8Å; D504-R506 PolarHBondContact O-N 3.04Å; D504-R506 VanDerWaalsContact O-N 3.08Å; D504-R506 PolarHBondContact OD1-N 3.47Å; D504-R506 IonicContact OD2-CZ 3Å; D504-R506 IonicContact OD2-NE 3.7Å; D504-R506 PolarHBondContact OD2-NE 3.47Å; D504-R506 IonicContact OD2-NH2 2.96Å; D504-R506 PolarHBondContact OD2-NH2 3.12Å; R506-F538 WeakPolarHBondContact O-CB 3.48Å
507	R	97.4	Very high	96.1	Very high	113 Å²	113	63.3 Å²	63.3	43%	0.426	31%	0.31	S	S	.	.	S	Bend	trans	-139.7	143.7	-178.5	-59.6	-174.9	68.3	82.6	0.3	111.8	V501 T502 D519	V501-R507 CarbonylContact C-O 3.56Å; V501-R507 WeakPolarHBondContact CA-O 3.34Å; V501-R507 WeakPolarHBondContact CB-O 3.49Å; T502-R507 HydrophobicContact CG2-CB 3.91Å; T502-R507 PolarHBondContact N-O 3.06Å; T502-R507 PolarHBondContact OG1-N 3.44Å; T502-R507 VanDerWaalsContact OG1-N 3.14Å; T502-R507 PolarHBondContact OG1-O 2.81Å; R507-D519 IonicContact CZ-OD1 3.95Å; R507-D519 IonicContact CZ-OD2 3.43Å; R507-D519 IonicContact NH1-OD1 2.94Å; R507-D519 PolarHBondContact NH1-OD1 3.23Å; R507-D519 IonicContact NH1-OD2 3.17Å; R507-D519 IonicContact NH2-OD1 3.25Å; R507-D519 PolarHBondContact NH2-OD1 2.89Å; R507-D519 IonicContact NH2-OD2 3.08Å; R507-D519 PolarHBondContact NH2-OD2 3.32Å
508	V	97.9	Very high	96.4	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.8	171.5	179.5	0	0	0	0	109.6	I499 K500 V501 S510 P511 L514 Q515 I518 V539	I499-V508 HydrophobicContact CG2-CG1 4.42Å; I499-V508 HydrophobicContact CG2-CG2 4.48Å; K500-V508 CarbonylContact O-C 3.56Å; K500-V508 WeakPolarHBondContact O-CA 3.36Å; V501-V508 HydrophobicContact CG1-CG2 4.37Å; V508-S510 WeakPolarHBondContact CG1-O 3.38Å; V508-P511 WeakPolarHBondContact CG1-O 3.44Å; V508-L514 HydrophobicContact CG1-CB 4.38Å; V508-L514 HydrophobicContact CG1-CD2 4.33Å; V508-L514 HydrophobicContact CG1-CG 4.49Å; V508-L514 HydrophobicContact CG2-CD2 4.2Å; V508-L514 HydrophobicContact CG2-CG 4.27Å; V508-Q515 HydrophobicContact CB-CB 4.09Å; V508-Q515 WeakPolarHBondContact O-CB 3.38Å; V508-I518 HydrophobicContact CG2-CD1 4.23Å; V508-V539 HydrophobicContact CG2-CG2 3.24Å
509	T	97.4	Very high	96.7	Very high	76 Å²	76	56.1 Å²	56.1	47%	0.466	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-21.4	173.9	55	0	0	0	0	112.3	K500 T502	K500-T509 VanDerWaalsContact C-OG1 3.28Å; K500-T509 VanDerWaalsContact CB-OG1 3.3Å; K500-T509 WeakPolarHBondContact CB-OG1 3.44Å; K500-T509 PolarHBondContact O-N 3.09Å; K500-T509 PolarHBondContact O-OG1 2.83Å; T502-T509 HydrophobicContact CG2-CG2 3.86Å
510	S	96.9	Very high	96.8	Very high	53 Å²	53	61.1 Å²	61.1	37%	0.371	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	134.8	172	173.8	0	0	0	0	110	I499 K500 V508	I499-S510 CarbonylContact C-O 3.54Å; I499-S510 VanDerWaalsContact CA-O 3.26Å; I499-S510 WeakPolarHBondContact CA-O 3.38Å; K500-S510 PolarHBondContact N-O 3.09Å; K500-S510 PolarHBondContact O-N 3.42Å; V508-S510 WeakPolarHBondContact CG1-O 3.38Å
511	P	96.2	Very high	96.8	Very high	29 Å²	29	56 Å²	56	19%	0.188	27%	0.274	C	S	.	.	S	Bend	cis	-69.2	140.6	-9.7	29	-32.9	0	0	0	111.3	V508 E513 L514	V508-P511 WeakPolarHBondContact CG1-O 3.44Å; P511-E513 WeakPolarHBondContact CB-OE2 3.26Å; P511-E513 PolarHBondContact O-N 3.17Å; P511-L514 HydrophobicContact CG-CB 3.98Å; P511-L514 WeakPolarHBondContact O-CB 3.35Å; P511-L514 PolarHBondContact O-N 3.46Å
512	I	97.2	Very high	96.9	Very high	90 Å²	90	55.3 Å²	55.3	46%	0.462	27%	0.27	S	S	.	.	H	α-helix	trans	-67.5	-29.7	-175.2	-170.2	60.3	0	0	0	112	L514 Q515 I516	I512-L514 PolarHBondContact O-N 2.81Å; I512-Q515 HydrophobicContact CD1-CB 4.38Å; I512-Q515 PolarHBondContact O-N 3.36Å; I512-I516 HydrophobicContact CG1-CD1 4.33Å; I512-I516 WeakPolarHBondContact O-CG1 3.35Å; I512-I516 PolarHBondContact O-N 3.48Å
513	E	98	Very high	96.9	Very high	112 Å²	112	58.5 Å²	58.5	52%	0.523	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-33.2	177.1	-60.6	76.9	-170	0	0	111.5	P511 A517 L574	P511-E513 WeakPolarHBondContact CB-OE2 3.26Å; P511-E513 PolarHBondContact O-N 3.17Å; E513-A517 WeakPolarHBondContact O-CB 3.48Å; E513-A517 PolarHBondContact O-N 3.33Å; E513-L574 HydrophobicContact CB-CD1 4.48Å
514	L	98	Very high	97	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-42	175	177.5	55.8	0	0	0	111.2	V508 P511 I512 A517 I518 V539 I570 L574 A575	V508-L514 HydrophobicContact CG1-CB 4.38Å; V508-L514 HydrophobicContact CG1-CD2 4.33Å; V508-L514 HydrophobicContact CG1-CG 4.49Å; V508-L514 HydrophobicContact CG2-CD2 4.2Å; V508-L514 HydrophobicContact CG2-CG 4.27Å; P511-L514 HydrophobicContact CG-CB 3.98Å; P511-L514 WeakPolarHBondContact O-CB 3.35Å; P511-L514 PolarHBondContact O-N 3.46Å; I512-L514 PolarHBondContact O-N 2.81Å; L514-A517 PolarHBondContact O-N 2.92Å; L514-I518 HydrophobicContact CD1-CD1 4.02Å; L514-I518 HydrophobicContact CD1-CG1 4.31Å; L514-I518 HydrophobicContact CG-CD1 4Å; L514-I518 WeakPolarHBondContact O-CD1 3.4Å; L514-I518 VanDerWaalsContact O-CG1 3.22Å; L514-I518 WeakPolarHBondContact O-CG1 3.47Å; L514-I518 PolarHBondContact O-N 3.41Å; L514-V539 HydrophobicContact CD2-CG2 3.98Å; L514-V539 HydrophobicContact CG-CG2 4.41Å; L514-I570 HydrophobicContact CD1-CG2 3.72Å; L514-L574 HydrophobicContact CB-CB 4.37Å; L514-L574 HydrophobicContact CB-CD1 4.42Å; L514-L574 HydrophobicContact CD1-CB 4.42Å; L514-L574 HydrophobicContact CD1-CD1 4.48Å; L514-A575 HydrophobicContact CD2-CB 4.32Å
515	Q	98.2	Very high	97.1	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.023	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-41.9	176.5	-172.2	55.4	47.3	0	0	112	V508 I512 A517 I518 D519	V508-Q515 HydrophobicContact CB-CB 4.09Å; V508-Q515 WeakPolarHBondContact O-CB 3.38Å; I512-Q515 HydrophobicContact CD1-CB 4.38Å; I512-Q515 PolarHBondContact O-N 3.36Å; Q515-A517 VanDerWaalsContact C-N 3.31Å; Q515-A517 PolarHBondContact O-N 3.47Å; Q515-I518 PolarHBondContact O-N 3.24Å; Q515-D519 PolarHBondContact NE2-OD1 3.48Å; Q515-D519 PolarHBondContact O-N 3.36Å
516	I	98.4	Very high	97.1	Very high	87 Å²	87	52.3 Å²	52.3	45%	0.446	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-48	177.3	-67	168.2	0	0	0	109.8	I512 I518 D519 E520	I512-I516 HydrophobicContact CG1-CD1 4.33Å; I512-I516 WeakPolarHBondContact O-CG1 3.35Å; I512-I516 PolarHBondContact O-N 3.48Å; I516-I518 VanDerWaalsContact C-N 3.35Å; I516-I518 PolarHBondContact O-N 2.97Å; I516-D519 PolarHBondContact O-N 3.33Å; I516-E520 WeakPolarHBondContact O-CG 3.47Å; I516-E520 PolarHBondContact O-N 3.38Å
517	A	98.3	Very high	97.1	Very high	19 Å²	19	53.4 Å²	53.4	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-34	179.2	0	0	0	0	0	113.1	E513 L514 Q515 A521 I570 L574	E513-A517 WeakPolarHBondContact O-CB 3.48Å; E513-A517 PolarHBondContact O-N 3.33Å; L514-A517 PolarHBondContact O-N 2.92Å; Q515-A517 VanDerWaalsContact C-N 3.31Å; Q515-A517 PolarHBondContact O-N 3.47Å; A517-A521 WeakPolarHBondContact O-CB 3.19Å; A517-A521 PolarHBondContact O-N 3.21Å; A517-A521 VanDerWaalsContact O-N 3.11Å; A517-I570 HydrophobicContact CB-CD1 4.18Å; A517-I570 HydrophobicContact CB-CG2 3.5Å; A517-L574 HydrophobicContact CB-CD1 4.03Å
518	I	98.3	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-49.1	172.3	-70.3	162.3	0	0	0	110.5	V508 L514 Q515 I516 E520 A521 V522 A537 V539 I567	V508-I518 HydrophobicContact CG2-CD1 4.23Å; L514-I518 HydrophobicContact CD1-CD1 4.02Å; L514-I518 HydrophobicContact CD1-CG1 4.31Å; L514-I518 HydrophobicContact CG-CD1 4Å; L514-I518 WeakPolarHBondContact O-CD1 3.4Å; L514-I518 VanDerWaalsContact O-CG1 3.22Å; L514-I518 WeakPolarHBondContact O-CG1 3.47Å; L514-I518 PolarHBondContact O-N 3.41Å; Q515-I518 PolarHBondContact O-N 3.24Å; I516-I518 VanDerWaalsContact C-N 3.35Å; I516-I518 PolarHBondContact O-N 2.97Å; I518-E520 VanDerWaalsContact C-N 3.31Å; I518-E520 PolarHBondContact O-N 3.44Å; I518-A521 PolarHBondContact O-N 3.15Å; I518-V522 HydrophobicContact CG2-CG2 4.36Å; I518-V522 WeakPolarHBondContact O-CG2 3.36Å; I518-V522 PolarHBondContact O-N 3.17Å; I518-A537 HydrophobicContact CG2-CB 4.43Å; I518-A537 WeakPolarHBondContact CG2-O 3.48Å; I518-V539 HydrophobicContact CD1-CG1 3.9Å; I518-V539 HydrophobicContact CD1-CG2 3.86Å; I518-I567 HydrophobicContact CB-CD1 4.24Å; I518-I567 HydrophobicContact CG1-CD1 3.96Å; I518-I567 HydrophobicContact CG1-CG2 4.28Å; I518-I567 HydrophobicContact CG2-CD1 4.27Å
519	D	98.2	Very high	96.3	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-40.4	-179.7	-70.8	-24.9	0	0	0	111.4	R507 Q515 I516 V522 Q523	R507-D519 IonicContact CZ-OD1 3.95Å; R507-D519 IonicContact CZ-OD2 3.43Å; R507-D519 IonicContact NH1-OD1 2.94Å; R507-D519 PolarHBondContact NH1-OD1 3.23Å; R507-D519 IonicContact NH1-OD2 3.17Å; R507-D519 IonicContact NH2-OD1 3.25Å; R507-D519 PolarHBondContact NH2-OD1 2.89Å; R507-D519 IonicContact NH2-OD2 3.08Å; R507-D519 PolarHBondContact NH2-OD2 3.32Å; Q515-D519 PolarHBondContact NE2-OD1 3.48Å; Q515-D519 PolarHBondContact O-N 3.36Å; I516-D519 PolarHBondContact O-N 3.33Å; D519-V522 PolarHBondContact O-N 3.5Å; D519-Q523 VanDerWaalsContact O-CG 3.3Å; D519-Q523 WeakPolarHBondContact O-CG 3.46Å; D519-Q523 PolarHBondContact O-N 3Å
520	E	98	Very high	96	Very high	108 Å²	108	50.4 Å²	50.4	51%	0.505	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-43.4	174.8	-74.8	178.5	-177	0	0	112.4	I516 I518 Q523 Q524	I516-E520 WeakPolarHBondContact O-CG 3.47Å; I516-E520 PolarHBondContact O-N 3.38Å; I518-E520 VanDerWaalsContact C-N 3.31Å; I518-E520 PolarHBondContact O-N 3.44Å; E520-Q523 PolarHBondContact O-N 2.94Å; E520-Q524 WeakPolarHBondContact O-CG 3.42Å; E520-Q524 PolarHBondContact O-N 3.11Å
521	A	97.3	Very high	95.6	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-41.2	177.6	0	0	0	0	0	111.9	A517 I518 Q523 Q524 A525 W562 L563 T566 I567 I570	A517-A521 WeakPolarHBondContact O-CB 3.19Å; A517-A521 PolarHBondContact O-N 3.21Å; A517-A521 VanDerWaalsContact O-N 3.11Å; I518-A521 PolarHBondContact O-N 3.15Å; A521-Q523 PolarHBondContact O-N 3.04Å; A521-Q524 WeakPolarHBondContact O-CB 3.32Å; A521-Q524 PolarHBondContact O-N 3.45Å; A521-A525 PolarHBondContact O-N 2.86Å; A521-W562 WeakPolarHBondContact O-CZ3 3.09Å; A521-L563 HydrophobicContact CB-CD1 3.92Å; A521-T566 HydrophobicContact CB-CG2 3.89Å; A521-I567 HydrophobicContact CB-CD1 3.61Å; A521-I570 HydrophobicContact CB-CD1 4.35Å
522	V	97.6	Very high	95.4	Very high	23 Å²	23	58 Å²	58	14%	0.139	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-45.2	174.8	170	0	0	0	0	110.8	I518 D519 Q524 A525 D526 S535 A537 L563	I518-V522 HydrophobicContact CG2-CG2 4.36Å; I518-V522 WeakPolarHBondContact O-CG2 3.36Å; I518-V522 PolarHBondContact O-N 3.17Å; D519-V522 PolarHBondContact O-N 3.5Å; V522-Q524 VanDerWaalsContact C-N 3.27Å; V522-Q524 PolarHBondContact O-N 2.76Å; V522-A525 PolarHBondContact O-N 3.04Å; V522-D526 PolarHBondContact O-N 3.03Å; V522-S535 WeakPolarHBondContact CG1-O 3.33Å; V522-A537 HydrophobicContact CG2-CB 3.92Å; V522-L563 HydrophobicContact CG2-CD1 4.26Å; V522-L563 HydrophobicContact CG2-CD2 4.41Å
523	Q	96.9	Very high	95.1	Very high	109 Å²	109	56.6 Å²	56.6	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-34.2	175.7	-72.4	173.4	38.8	0	0	112.8	D519 E520 A521 K527	D519-Q523 VanDerWaalsContact O-CG 3.3Å; D519-Q523 WeakPolarHBondContact O-CG 3.46Å; D519-Q523 PolarHBondContact O-N 3Å; E520-Q523 PolarHBondContact O-N 2.94Å; A521-Q523 PolarHBondContact O-N 3.04Å; Q523-K527 VanDerWaalsContact O-CG 3.26Å; Q523-K527 WeakPolarHBondContact O-CG 3.44Å; Q523-K527 PolarHBondContact O-N 3.01Å; Q523-K527 VanDerWaalsContact O-N 3.1Å
524	Q	95.2	Very high	94.7	Very high	80 Å²	80	52.6 Å²	52.6	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-69.9	-41	175.1	-72.5	175	31.8	0	0	111.8	E520 A521 V522 K527 L528 W562	E520-Q524 WeakPolarHBondContact O-CG 3.42Å; E520-Q524 PolarHBondContact O-N 3.11Å; A521-Q524 WeakPolarHBondContact O-CB 3.32Å; A521-Q524 PolarHBondContact O-N 3.45Å; V522-Q524 VanDerWaalsContact C-N 3.27Å; V522-Q524 PolarHBondContact O-N 2.76Å; Q524-K527 PolarHBondContact O-N 3.17Å; Q524-L528 WeakPolarHBondContact O-CB 3.46Å; Q524-L528 PolarHBondContact O-N 2.82Å; Q524-W562 HydrophobicContact CB-CH2 3.73Å; Q524-W562 HydrophobicContact CB-CZ3 4.13Å
525	A	94.7	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-43.2	174.6	0	0	0	0	0	111.6	A521 V522 K527 L528 V529 W562 L563	A521-A525 PolarHBondContact O-N 2.86Å; V522-A525 PolarHBondContact O-N 3.04Å; A525-K527 PolarHBondContact O-N 2.89Å; A525-L528 VanDerWaalsContact O-CB 3.31Å; A525-L528 WeakPolarHBondContact O-CB 3.48Å; A525-L528 PolarHBondContact O-N 2.92Å; A525-L528 VanDerWaalsContact O-N 3.16Å; A525-V529 WeakPolarHBondContact O-CG2 3.32Å; A525-V529 PolarHBondContact O-N 3.35Å; A525-W562 HydrophobicContact CB-CE3 4.35Å; A525-W562 HydrophobicContact CB-CZ3 4.21Å; A525-L563 HydrophobicContact CB-CB 4.32Å; A525-L563 HydrophobicContact CB-CD1 4.27Å; A525-L563 HydrophobicContact CB-CD2 4.04Å; A525-L563 HydrophobicContact CB-CG 4.45Å
526	D	95.1	Very high	94.5	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-41.9	174.9	-85.5	-7.5	0	0	0	113	V522 L528 V529 G530 K531 G533 T534 S535	V522-D526 PolarHBondContact O-N 3.03Å; D526-L528 VanDerWaalsContact C-N 3.32Å; D526-V529 WeakPolarHBondContact O-CG2 3.33Å; D526-V529 PolarHBondContact O-N 3.14Å; D526-G530 PolarHBondContact O-N 3.24Å; D526-K531 PolarHBondContact O-N 3.29Å; D526-K531 VanDerWaalsContact O-N 3.12Å; D526-G533 PolarHBondContact OD2-N 2.71Å; D526-T534 PolarHBondContact OD1-N 3.46Å; D526-S535 WeakPolarHBondContact OD1-CA 3.35Å; D526-S535 WeakPolarHBondContact OD1-CB 3.49Å; D526-S535 PolarHBondContact OD1-N 2.94Å; D526-S535 PolarHBondContact OD1-OG 3.01Å
527	K	93.1	Very high	94.5	Very high	151 Å²	151	51 Å²	51	66%	0.657	29%	0.291	S	S	*	.	H	α-helix	trans	-64	-39.1	174.6	-74.7	170.1	-174.6	172.5	0	111.5	Q523 Q524 A525 G530	Q523-K527 VanDerWaalsContact O-CG 3.26Å; Q523-K527 WeakPolarHBondContact O-CG 3.44Å; Q523-K527 PolarHBondContact O-N 3.01Å; Q523-K527 VanDerWaalsContact O-N 3.1Å; Q524-K527 PolarHBondContact O-N 3.17Å; A525-K527 PolarHBondContact O-N 2.89Å; K527-G530 PolarHBondContact O-N 3.03Å
528	L	87.9	Confident	94.4	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.194	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-45.1	178.3	177.7	69.7	0	0	0	111.6	Q524 A525 D526 G530 A559 L588 I591 C592	Q524-L528 WeakPolarHBondContact O-CB 3.46Å; Q524-L528 PolarHBondContact O-N 2.82Å; A525-L528 VanDerWaalsContact O-CB 3.31Å; A525-L528 WeakPolarHBondContact O-CB 3.48Å; A525-L528 PolarHBondContact O-N 2.92Å; A525-L528 VanDerWaalsContact O-N 3.16Å; D526-L528 VanDerWaalsContact C-N 3.32Å; L528-G530 VanDerWaalsContact C-N 3.34Å; L528-A559 HydrophobicContact CD2-CB 3.95Å; L528-L588 HydrophobicContact CB-CD2 4.26Å; L528-L588 HydrophobicContact CD1-CD2 3.94Å; L528-L588 HydrophobicContact CD2-CD2 3.97Å; L528-L588 HydrophobicContact CG-CD2 4.29Å; L528-I591 HydrophobicContact CD1-CG2 4.45Å; L528-I591 HydrophobicContact CD2-CG2 4.1Å; L528-C592 WeakPolarHBondContact CD1-SG 3.36Å
529	V	91.2	Very high	94.4	Very high	26 Å²	26	50.4 Å²	50.4	16%	0.158	29%	0.285	C	S	.	.	H	α-helix	trans	-84.5	-8.3	-180	-56.7	0	0	0	0	113.6	A525 D526 K531 T556 A559	A525-V529 WeakPolarHBondContact O-CG2 3.32Å; A525-V529 PolarHBondContact O-N 3.35Å; D526-V529 WeakPolarHBondContact O-CG2 3.33Å; D526-V529 PolarHBondContact O-N 3.14Å; V529-K531 VanDerWaalsContact C-N 3.27Å; V529-K531 HydrophobicContact CG2-CB 4.09Å; V529-K531 PolarHBondContact O-N 3.5Å; V529-T556 HydrophobicContact CG1-CG2 4.18Å; V529-A559 HydrophobicContact CG1-CB 3.39Å
530	G	91.1	Very high	94.2	Very high	67 Å²	67	50.1 Å²	50.1	69%	0.691	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	21.2	-178	0	0	0	0	0	114.2	D526 K527 L528	D526-G530 PolarHBondContact O-N 3.24Å; K527-G530 PolarHBondContact O-N 3.03Å; L528-G530 VanDerWaalsContact C-N 3.34Å
531	K	89.1	Confident	94	Very high	81 Å²	81	46.2 Å²	46.2	35%	0.352	26%	0.264	S	S	.	.			trans	-135.6	95.2	-177.3	-60.3	-170.3	-177.7	-165.6	0	111	D526 V529 T534 Y555	D526-K531 PolarHBondContact O-N 3.29Å; D526-K531 VanDerWaalsContact O-N 3.12Å; V529-K531 VanDerWaalsContact C-N 3.27Å; V529-K531 HydrophobicContact CG2-CB 4.09Å; V529-K531 PolarHBondContact O-N 3.5Å; K531-T534 HydrophobicContact CB-CG2 3.56Å; K531-T534 HydrophobicContact CD-CG2 4.34Å; K531-T534 PolarHBondContact O-N 3.15Å; K531-T534 PolarHBondContact O-OG1 3.39Å; K531-Y555 HydrophobicContact CD-CD1 4.03Å; K531-Y555 HydrophobicContact CD-CD2 3.89Å; K531-Y555 HydrophobicContact CD-CE1 4.13Å; K531-Y555 HydrophobicContact CD-CE2 4.02Å; K531-Y555 HydrophobicContact CD-CG 3.92Å; K531-Y555 VanDerWaalsContact NZ-CE1 3.32Å; K531-Y555 VanDerWaalsContact NZ-CE2 3.3Å; K531-Y555 PolarHBondContact NZ-OH 3.09Å
532	I	91.5	Very high	93.6	Very high	161 Å²	161	46.5 Å²	46.5	83%	0.826	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	135.2	178.1	-60.3	173.9	0	0	0	110.2
533	G	89.9	Confident	92.7	Very high	60 Å²	60	48.3 Å²	48.3	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	14.6	177.7	0	0	0	0	0	114.6	D526	D526-G533 PolarHBondContact OD2-N 2.71Å
534	T	90.6	Very high	91.6	Very high	28 Å²	28	48.3 Å²	48.3	17%	0.172	30%	0.297	C	S	.	.			trans	-100.7	-22.5	179.7	60.5	0	0	0	0	113.7	L484 D526 K531	L484-T534 WeakPolarHBondContact CD1-O 3.31Å; D526-T534 PolarHBondContact OD1-N 3.46Å; K531-T534 HydrophobicContact CB-CG2 3.56Å; K531-T534 HydrophobicContact CD-CG2 4.34Å; K531-T534 PolarHBondContact O-N 3.15Å; K531-T534 PolarHBondContact O-OG1 3.39Å
535	S	96	Very high	91	Very high	10 Å²	10	48.2 Å²	48.2	7%	0.07	30%	0.297	C	S	.	.			trans	-93.9	144.4	177.9	-44.9	0	0	0	0	110.7	V522 D526 E553 S554	V522-S535 WeakPolarHBondContact CG1-O 3.33Å; D526-S535 WeakPolarHBondContact OD1-CA 3.35Å; D526-S535 WeakPolarHBondContact OD1-CB 3.49Å; D526-S535 PolarHBondContact OD1-N 2.94Å; D526-S535 PolarHBondContact OD1-OG 3.01Å; S535-E553 CarbonylContact C-O 3.54Å; S535-E553 VanDerWaalsContact CA-O 3.22Å; S535-E553 WeakPolarHBondContact CA-O 3.5Å; S535-S554 PolarHBondContact OG-OG 2.88Å
536	C	96.2	Very high	90.8	Very high	37 Å²	37	51.7 Å²	51.7	25%	0.25	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151	169.4	85.6	0	0	0	0	110.1	A552 E553	C536-A552 CarbonylContact O-C 3.6Å; C536-A552 WeakPolarHBondContact O-CA 3.36Å; C536-E553 PolarHBondContact N-O 2.66Å; C536-E553 PolarHBondContact O-N 3.1Å; C536-E553 PolarHBondContact SG-OE2 3.36Å
537	A	97.6	Very high	90.7	Very high	11 Å²	11	51.3 Å²	51.3	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	147.7	169.1	0	0	0	0	0	110.3	I518 V522 Y551 A552 L563 I567	I518-A537 HydrophobicContact CG2-CB 4.43Å; I518-A537 WeakPolarHBondContact CG2-O 3.48Å; V522-A537 HydrophobicContact CG2-CB 3.92Å; A537-Y551 CarbonylContact C-O 3.49Å; A537-Y551 WeakPolarHBondContact CA-O 3.27Å; A537-Y551 WeakPolarHBondContact CB-O 3.48Å; A537-A552 HydrophobicContact CB-CB 4.1Å; A537-L563 HydrophobicContact CB-CD1 4.32Å; A537-L563 HydrophobicContact CB-CD2 4.03Å; A537-L563 HydrophobicContact CB-CG 4.08Å; A537-I567 HydrophobicContact CB-CD1 4.47Å; A537-I567 HydrophobicContact CB-CG1 3.78Å
538	F	97.3	Very high	90.9	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	166	174.5	67.7	-90	0	0	0	110.6	A374 Y375 E505 R506 R540 Y551	A374-F538 HydrophobicContact CB-CD1 4.39Å; A374-F538 HydrophobicContact CB-CD2 4.43Å; A374-F538 HydrophobicContact CB-CE1 3.78Å; A374-F538 HydrophobicContact CB-CE2 3.84Å; A374-F538 HydrophobicContact CB-CZ 3.48Å; A374-F538 VanDerWaalsContact CB-CZ 3.48Å; A374-F538 WeakPolarHBondContact O-CE1 3.44Å; A374-F538 WeakPolarHBondContact O-CZ 3.4Å; Y375-F538 AromaticContact CD1-CZ 3.89Å; Y375-F538 HydrophobicContact CD1-CZ 3.89Å; Y375-F538 HydrophobicContact CE1-CE2 4.18Å; Y375-F538 AromaticContact CE1-CZ 3.87Å; Y375-F538 HydrophobicContact CE1-CZ 3.87Å; Y375-F538 HydrophobicContact CG-CZ 4.32Å; E505-F538 WeakPolarHBondContact O-CD2 3.45Å; R506-F538 WeakPolarHBondContact O-CB 3.48Å; F538-R540 HydrophobicContact CD2-CB 4.4Å; F538-R540 HydrophobicContact CE2-CB 4.3Å; F538-Y551 AromaticContact CD1-CD1 3.89Å; F538-Y551 HydrophobicContact CD1-CD1 3.89Å; F538-Y551 HydrophobicContact CD1-CG 4.18Å; F538-Y551 AromaticContact CE1-CD1 3.39Å; F538-Y551 HydrophobicContact CE1-CD1 3.39Å; F538-Y551 HydrophobicContact CE1-CD2 4.35Å; F538-Y551 HydrophobicContact CE1-CE1 4.27Å; F538-Y551 AromaticContact CE1-CG 3.44Å; F538-Y551 HydrophobicContact CE1-CG 3.44Å; F538-Y551 VanDerWaalsContact CE1-CG 3.44Å; F538-Y551 VanDerWaalsContact CZ-CB 3.43Å; F538-Y551 HydrophobicContact CZ-CD1 4.26Å; F538-Y551 HydrophobicContact CZ-CD2 4.49Å; F538-Y551 AromaticContact CZ-CG 3.84Å; F538-Y551 HydrophobicContact CZ-CG 3.84Å; F538-Y551 PolarHBondContact N-O 3.13Å; F538-Y551 PolarHBondContact O-N 2.87Å
539	V	97.3	Very high	91.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.4	176	-55	0	0	0	0	109.3	V508 L514 I518 V548 R549 I550 I567 T571	V508-V539 HydrophobicContact CG2-CG2 3.24Å; L514-V539 HydrophobicContact CD2-CG2 3.98Å; L514-V539 HydrophobicContact CG-CG2 4.41Å; I518-V539 HydrophobicContact CD1-CG1 3.9Å; I518-V539 HydrophobicContact CD1-CG2 3.86Å; V539-V548 HydrophobicContact CB-CG1 3.77Å; V539-V548 HydrophobicContact CG2-CG1 4.38Å; V539-R549 CarbonylContact C-O 3.56Å; V539-R549 VanDerWaalsContact CA-O 3.26Å; V539-R549 WeakPolarHBondContact CA-O 3.41Å; V539-I550 HydrophobicContact CG1-CG1 3.94Å; V539-I567 HydrophobicContact CG1-CG2 3.43Å; V539-I567 VanDerWaalsContact CG1-CG2 3.43Å; V539-T571 WeakPolarHBondContact CG1-OG1 3.18Å
540	R	94.6	Very high	91.5	Very high	40 Å²	40	45.3 Å²	45.3	15%	0.151	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.4	-173.5	-171.5	-169	83.1	110.2	-11.9	110.4	Y375 E505 F538 V548 R549	Y375-R540 PolarHBondContact OH-NE 3.35Å; E505-R540 HydrophobicContact CB-CG 4.23Å; E505-R540 VanDerWaalsContact CD-CD 3.44Å; E505-R540 HydrophobicContact CG-CG 4.38Å; E505-R540 WeakPolarHBondContact OE1-CD 3.44Å; E505-R540 IonicContact OE1-NH1 3.27Å; E505-R540 PolarHBondContact OE1-NH1 3.18Å; E505-R540 WeakPolarHBondContact OE2-CD 3.44Å; E505-R540 IonicContact OE2-NH1 2.78Å; F538-R540 HydrophobicContact CD2-CB 4.4Å; F538-R540 HydrophobicContact CE2-CB 4.3Å; R540-V548 CarbonylContact O-C 3.41Å; R540-V548 WeakPolarHBondContact O-CA 3.5Å; R540-R549 HydrophobicContact CB-CB 4.5Å; R540-R549 PolarHBondContact N-O 3.2Å; R540-R549 PolarHBondContact O-N 2.83Å
541	P	94.1	Very high	91.8	Very high	26 Å²	26	42.2 Å²	42.2	17%	0.169	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.5	173.8	27.9	-33.1	0	0	0	110.3	R496 I499	R496-P541 HydrophobicContact CB-CB 4.1Å; R496-P541 HydrophobicContact CG-CB 4.44Å; I499-P541 HydrophobicContact CG2-CG 4.43Å
542	S	87.7	Confident	92.2	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.063	23%	0.232	C	C	.	.			trans	-68.1	145.3	174.2	-179.4	0	0	0	0	110.6	R496 T544 E545 T547	R496-S542 WeakPolarHBondContact CD-O 3.33Å; R496-S542 PolarHBondContact NE-O 2.84Å; S542-T544 VanDerWaalsContact C-N 3.32Å; S542-T544 PolarHBondContact OG-N 3.31Å; S542-T544 PolarHBondContact OG-OG1 2.81Å; S542-E545 WeakPolarHBondContact CB-O 3.42Å; S542-T547 WeakPolarHBondContact CB-O 3.22Å; S542-T547 WeakPolarHBondContact CB-OG1 3.5Å; S542-T547 PolarHBondContact N-O 3.15Å
543	G	80.1	Confident	92.5	Very high	61 Å²	61	30.7 Å²	30.7	63%	0.629	19%	0.193	S	C	*	.	S	Bend	trans	-70.7	-29.2	174	0	0	0	0	0	113	R496	R496-G543 PolarHBondContact NH2-O 3.49Å
544	T	74.2	Confident	92.8	Very high	109 Å²	109	27.9 Å²	27.9	67%	0.669	16%	0.163	S	C	*	.	S	Bend	trans	-110.9	-15.2	-165.4	54.1	0	0	0	0	114.5	S542	S542-T544 VanDerWaalsContact C-N 3.32Å; S542-T544 PolarHBondContact OG-N 3.31Å; S542-T544 PolarHBondContact OG-OG1 2.81Å
545	E	81.5	Confident	92.9	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	18%	0.175	S	C	.	.	S	Bend	trans	-142.5	148.9	-169.8	-67.3	174.2	-147	0	0	110.6	K490 R496 S542 T547	K490-E545 WeakPolarHBondContact CE-OE2 3.25Å; K490-E545 IonicContact NZ-OE2 2.95Å; K490-E545 PolarHBondContact NZ-OE2 3.08Å; R496-E545 WeakPolarHBondContact CD-O 3.3Å; S542-E545 WeakPolarHBondContact CB-O 3.42Å; E545-T547 HydrophobicContact CB-CG2 3.99Å; E545-T547 PolarHBondContact O-N 3.3Å
546	N	90.7	Very high	92.7	Very high	72 Å²	72	33.4 Å²	33.4	39%	0.385	19%	0.185	S	C	.	.	S	Bend	trans	-71.1	62.3	172.6	-77.8	-21.1	0	0	0	112.7	V493 R496	V493-N546 PolarHBondContact N-O 3.23Å; V493-N546 WeakPolarHBondContact O-CB 3.13Å; V493-N546 VanDerWaalsContact O-O 3.08Å; R496-N546 PolarHBondContact NH1-OD1 3.1Å
547	T	94	Very high	92.5	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.2	-173.6	67.6	0	0	0	0	109.5	K490 V491 T492 S542 E545	K490-T547 HydrophobicContact CD-CG2 4.46Å; K490-T547 WeakPolarHBondContact CE-OG1 3.47Å; V491-T547 CarbonylContact O-C 3.54Å; V491-T547 VanDerWaalsContact O-CA 3.26Å; V491-T547 WeakPolarHBondContact O-CA 3.22Å; T492-T547 HydrophobicContact CG2-CG2 4.33Å; S542-T547 WeakPolarHBondContact CB-O 3.22Å; S542-T547 WeakPolarHBondContact CB-OG1 3.5Å; S542-T547 PolarHBondContact N-O 3.15Å; E545-T547 HydrophobicContact CB-CG2 3.99Å; E545-T547 PolarHBondContact O-N 3.3Å
548	V	96	Very high	92.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.4	-179.8	-172.1	0	0	0	0	107.4	K490 V491 V493 I499 V539 R540 T571	K490-V548 WeakPolarHBondContact CA-O 3.47Å; V491-V548 PolarHBondContact N-O 2.97Å; V491-V548 PolarHBondContact O-N 3.4Å; V493-V548 HydrophobicContact CB-CG2 4.34Å; V493-V548 HydrophobicContact CG1-CG2 3.59Å; V493-V548 HydrophobicContact CG2-CG2 3.77Å; I499-V548 HydrophobicContact CD1-CB 4.32Å; I499-V548 HydrophobicContact CD1-CG1 4.19Å; I499-V548 HydrophobicContact CD1-CG2 3.17Å; V539-V548 HydrophobicContact CB-CG1 3.77Å; V539-V548 HydrophobicContact CG2-CG1 4.38Å; R540-V548 CarbonylContact O-C 3.41Å; R540-V548 WeakPolarHBondContact O-CA 3.5Å; V548-T571 HydrophobicContact CB-CG2 4.01Å; V548-T571 HydrophobicContact CG1-CG2 3.88Å; V548-T571 HydrophobicContact CG2-CG2 4.24Å
549	R	95.5	Very high	92.1	Very high	88 Å²	88	41.9 Å²	41.9	33%	0.332	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.6	172.2	-59.4	-64.9	-179.8	149.8	0	108.3	Y375 V539 R540	Y375-R549 WeakPolarHBondContact OH-CB 3.39Å; V539-R549 CarbonylContact C-O 3.56Å; V539-R549 VanDerWaalsContact CA-O 3.26Å; V539-R549 WeakPolarHBondContact CA-O 3.41Å; R540-R549 HydrophobicContact CB-CB 4.5Å; R540-R549 PolarHBondContact N-O 3.2Å; R540-R549 PolarHBondContact O-N 2.83Å
550	I	96.8	Very high	92.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135	177	-66.8	138.9	0	0	0	106.8	Q488 L489 V491 V539 I567 A568	Q488-I550 CarbonylContact C-O 3.54Å; Q488-I550 VanDerWaalsContact CA-O 3.23Å; Q488-I550 WeakPolarHBondContact CA-O 3.39Å; L489-I550 HydrophobicContact CB-CB 4.16Å; L489-I550 HydrophobicContact CB-CD1 4.28Å; L489-I550 PolarHBondContact N-O 3.09Å; L489-I550 PolarHBondContact O-N 3.45Å; V491-I550 HydrophobicContact CB-CD1 4.05Å; V491-I550 HydrophobicContact CG2-CD1 3.38Å; V539-I550 HydrophobicContact CG1-CG1 3.94Å; I550-I567 HydrophobicContact CG1-CG2 4.26Å; I550-I567 HydrophobicContact CG2-CB 3.94Å; I550-I567 HydrophobicContact CG2-CG2 3.67Å; I550-A568 VanDerWaalsContact CD1-CA 3.47Å; I550-A568 HydrophobicContact CD1-CB 3.69Å
551	Y	97.2	Very high	92	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.3	169.3	-179.9	-86.3	0	0	0	108.2	Y375 S486 Q488 A537 F538 E553	Y375-Y551 AromaticContact CD1-CD2 3.76Å; Y375-Y551 HydrophobicContact CD1-CD2 3.76Å; Y375-Y551 HydrophobicContact CD1-CE2 4.43Å; Y375-Y551 HydrophobicContact CD1-CG 4.39Å; Y375-Y551 HydrophobicContact CE1-CD2 4.39Å; S486-Y551 WeakPolarHBondContact CB-OH 3.33Å; Q488-Y551 HydrophobicContact CG-CD2 3.72Å; Q488-Y551 HydrophobicContact CG-CE2 4.42Å; A537-Y551 CarbonylContact C-O 3.49Å; A537-Y551 WeakPolarHBondContact CA-O 3.27Å; A537-Y551 WeakPolarHBondContact CB-O 3.48Å; F538-Y551 AromaticContact CD1-CD1 3.89Å; F538-Y551 HydrophobicContact CD1-CD1 3.89Å; F538-Y551 HydrophobicContact CD1-CG 4.18Å; F538-Y551 AromaticContact CE1-CD1 3.39Å; F538-Y551 HydrophobicContact CE1-CD1 3.39Å; F538-Y551 HydrophobicContact CE1-CD2 4.35Å; F538-Y551 HydrophobicContact CE1-CE1 4.27Å; F538-Y551 AromaticContact CE1-CG 3.44Å; F538-Y551 HydrophobicContact CE1-CG 3.44Å; F538-Y551 VanDerWaalsContact CE1-CG 3.44Å; F538-Y551 VanDerWaalsContact CZ-CB 3.43Å; F538-Y551 HydrophobicContact CZ-CD1 4.26Å; F538-Y551 HydrophobicContact CZ-CD2 4.49Å; F538-Y551 AromaticContact CZ-CG 3.84Å; F538-Y551 HydrophobicContact CZ-CG 3.84Å; F538-Y551 PolarHBondContact N-O 3.13Å; F538-Y551 PolarHBondContact O-N 2.87Å; Y551-E553 HydrophobicContact CE1-CB 3.67Å
552	A	97.7	Very high	92.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.4	168.4	0	0	0	0	0	110.1	S486 K487 C536 A537 L563	S486-A552 CarbonylContact C-O 3.52Å; S486-A552 VanDerWaalsContact CA-O 3.23Å; S486-A552 WeakPolarHBondContact CA-O 3.12Å; K487-A552 PolarHBondContact N-O 3.36Å; K487-A552 PolarHBondContact O-N 3.02Å; C536-A552 CarbonylContact O-C 3.6Å; C536-A552 WeakPolarHBondContact O-CA 3.36Å; A537-A552 HydrophobicContact CB-CB 4.1Å; A552-L563 HydrophobicContact CB-CB 4.17Å; A552-L563 HydrophobicContact CB-CD2 4.04Å; A552-L563 HydrophobicContact CB-CG 3.84Å
553	E	96.6	Very high	92.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.2	178.7	178.2	-170.9	-164.3	0	0	108	N377 S378 L484 P485 S535 C536 Y551	N377-E553 PolarHBondContact ND2-OE1 3.07Å; N377-E553 PolarHBondContact OD1-OE1 3.43Å; S378-E553 WeakPolarHBondContact CB-OE1 3.49Å; S378-E553 VanDerWaalsContact CB-OE2 3.32Å; S378-E553 WeakPolarHBondContact CB-OE2 3.42Å; S378-E553 PolarHBondContact N-OE1 3.43Å; S378-E553 PolarHBondContact N-OE2 3.34Å; S378-E553 PolarHBondContact OG-OE2 2.73Å; L484-E553 HydrophobicContact CB-CG 3.46Å; L484-E553 VanDerWaalsContact CB-CG 3.46Å; L484-E553 VanDerWaalsContact CB-OE1 3.26Å; L484-E553 WeakPolarHBondContact CB-OE1 3.47Å; L484-E553 HydrophobicContact CD1-CG 3.95Å; L484-E553 VanDerWaalsContact CD1-OE1 3.31Å; L484-E553 WeakPolarHBondContact CD1-OE1 3.34Å; L484-E553 HydrophobicContact CG-CG 4.33Å; P485-E553 WeakPolarHBondContact O-CA 3.46Å; S535-E553 CarbonylContact C-O 3.54Å; S535-E553 VanDerWaalsContact CA-O 3.22Å; S535-E553 WeakPolarHBondContact CA-O 3.5Å; C536-E553 PolarHBondContact N-O 2.66Å; C536-E553 PolarHBondContact O-N 3.1Å; C536-E553 PolarHBondContact SG-OE2 3.36Å; Y551-E553 HydrophobicContact CE1-CB 3.67Å
554	S	96.2	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.			trans	-158.8	176.8	177.1	-166.2	0	0	0	0	110.7	L484 P485 S535 T556 A559 T560	L484-S554 WeakPolarHBondContact CB-O 3.42Å; P485-S554 VanDerWaalsContact CD-O 3.27Å; P485-S554 WeakPolarHBondContact CD-O 3.32Å; P485-S554 PolarHBondContact O-N 3.23Å; P485-S554 VanDerWaalsContact O-N 3.14Å; S535-S554 PolarHBondContact OG-OG 2.88Å; S554-T556 PolarHBondContact O-N 3.33Å; S554-A559 WeakPolarHBondContact OG-CB 3.41Å; S554-T560 WeakPolarHBondContact CB-OG1 3.47Å; S554-T560 PolarHBondContact N-OG1 3.34Å
555	Y	93.3	Very high	94.4	Very high	109 Å²	109	35.7 Å²	35.7	43%	0.427	17%	0.17	S	C	.	.	S	Bend	trans	-71	-26.4	-174	-166.4	-103.9	0	0	0	114.4	L484 K531	L484-Y555 HydrophobicContact CD2-CD2 3.95Å; K531-Y555 HydrophobicContact CD-CD1 4.03Å; K531-Y555 HydrophobicContact CD-CD2 3.89Å; K531-Y555 HydrophobicContact CD-CE1 4.13Å; K531-Y555 HydrophobicContact CD-CE2 4.02Å; K531-Y555 HydrophobicContact CD-CG 3.92Å; K531-Y555 VanDerWaalsContact NZ-CE1 3.32Å; K531-Y555 VanDerWaalsContact NZ-CE2 3.3Å; K531-Y555 PolarHBondContact NZ-OH 3.09Å
556	T	93	Very high	95.2	Very high	45 Å²	45	32.8 Å²	32.8	28%	0.276	16%	0.158	S	C	.	.	S	Bend	trans	-128.9	156.4	178.5	83.6	0	0	0	0	111.4	V529 S554 E558 A559 T560	V529-T556 HydrophobicContact CG1-CG2 4.18Å; S554-T556 PolarHBondContact O-N 3.33Å; T556-E558 VanDerWaalsContact C-N 3.27Å; T556-E558 VanDerWaalsContact CB-OE2 3.25Å; T556-E558 WeakPolarHBondContact CB-OE2 3.48Å; T556-E558 PolarHBondContact O-N 3.37Å; T556-E558 PolarHBondContact OG1-OE2 2.85Å; T556-A559 PolarHBondContact O-N 3.38Å; T556-A559 PolarHBondContact OG1-N 3.28Å; T556-T560 PolarHBondContact O-N 3.13Å; T556-T560 PolarHBondContact O-OG1 2.85Å
557	H	92	Very high	95.5	Very high	130 Å²	130	29.3 Å²	29.3	60%	0.602	14%	0.139	S	C	*	.	H	α-helix	trans	-59.8	-38.9	179	-77.6	-84.1	0	0	0	112	T560 D561	H557-T560 PolarHBondContact O-N 3.32Å; H557-D561 WeakPolarHBondContact O-CB 3.44Å; H557-D561 PolarHBondContact O-N 2.97Å
558	E	92.6	Very high	95.7	Very high	103 Å²	103	29.2 Å²	29.2	48%	0.481	14%	0.139	S	C	.	.	H	α-helix	trans	-68.4	-40.2	-179	-53.1	71.2	-156.1	0	0	111.5	T556 W562 I591	T556-E558 VanDerWaalsContact C-N 3.27Å; T556-E558 VanDerWaalsContact CB-OE2 3.25Å; T556-E558 WeakPolarHBondContact CB-OE2 3.48Å; T556-E558 PolarHBondContact O-N 3.37Å; T556-E558 PolarHBondContact OG1-OE2 2.85Å; E558-W562 VanDerWaalsContact O-CB 3.29Å; E558-W562 WeakPolarHBondContact O-CB 3.5Å; E558-W562 PolarHBondContact O-N 2.83Å; E558-I591 HydrophobicContact CB-CG2 3.35Å; E558-I591 HydrophobicContact CG-CG2 4.15Å
559	A	94	Very high	95.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-40.1	175.3	0	0	0	0	0	111.5	L528 V529 S554 T556 W562 L563	L528-A559 HydrophobicContact CD2-CB 3.95Å; V529-A559 HydrophobicContact CG1-CB 3.39Å; S554-A559 WeakPolarHBondContact OG-CB 3.41Å; T556-A559 PolarHBondContact O-N 3.38Å; T556-A559 PolarHBondContact OG1-N 3.28Å; A559-W562 PolarHBondContact O-N 3.34Å; A559-L563 WeakPolarHBondContact O-CB 3.44Å; A559-L563 PolarHBondContact O-N 3.4Å
560	T	95.4	Very high	95.9	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-43.9	175.1	-63.4	0	0	0	0	112.1	P485 K487 S554 T556 H557 W562 L563 S564	P485-T560 VanDerWaalsContact O-CG2 3.31Å; P485-T560 WeakPolarHBondContact O-CG2 3.33Å; P485-T560 PolarHBondContact O-OG1 2.98Å; K487-T560 HydrophobicContact CB-CG2 3.82Å; S554-T560 WeakPolarHBondContact CB-OG1 3.47Å; S554-T560 PolarHBondContact N-OG1 3.34Å; T556-T560 PolarHBondContact O-N 3.13Å; T556-T560 PolarHBondContact O-OG1 2.85Å; H557-T560 PolarHBondContact O-N 3.32Å; T560-W562 VanDerWaalsContact C-N 3.35Å; T560-L563 PolarHBondContact O-N 2.98Å; T560-S564 VanDerWaalsContact O-CB 3.31Å; T560-S564 WeakPolarHBondContact O-CB 3.34Å; T560-S564 PolarHBondContact O-N 3.22Å; T560-S564 PolarHBondContact O-OG 3.46Å
561	D	94.4	Very high	95.9	Very high	78 Å²	78	27.6 Å²	27.6	42%	0.417	14%	0.136	S	C	.	.	H	α-helix	trans	-62.4	-43.3	175.8	-85.7	-18.6	0	0	0	111.5	K487 H557 S564 A565	K487-D561 VanDerWaalsContact CD-OD1 3.25Å; K487-D561 WeakPolarHBondContact CD-OD1 3.47Å; K487-D561 IonicContact NZ-OD1 2.61Å; K487-D561 PolarHBondContact NZ-OD1 3.48Å; H557-D561 WeakPolarHBondContact O-CB 3.44Å; H557-D561 PolarHBondContact O-N 2.97Å; D561-S564 PolarHBondContact O-OG 3.25Å; D561-S564 VanDerWaalsContact O-OG 3.06Å; D561-A565 WeakPolarHBondContact O-CB 3.34Å; D561-A565 PolarHBondContact O-N 2.66Å
562	W	95.8	Very high	95.9	Very high	15 Å²	15	29.6 Å²	29.6	6%	0.057	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-49.3	174.8	-179.7	88.6	0	0	0	111.9	A521 Q524 A525 E558 A559 T560 T566 P585 K586 L588 I591	A521-W562 WeakPolarHBondContact O-CZ3 3.09Å; Q524-W562 HydrophobicContact CB-CH2 3.73Å; Q524-W562 HydrophobicContact CB-CZ3 4.13Å; A525-W562 HydrophobicContact CB-CE3 4.35Å; A525-W562 HydrophobicContact CB-CZ3 4.21Å; E558-W562 VanDerWaalsContact O-CB 3.29Å; E558-W562 WeakPolarHBondContact O-CB 3.5Å; E558-W562 PolarHBondContact O-N 2.83Å; A559-W562 PolarHBondContact O-N 3.34Å; T560-W562 VanDerWaalsContact C-N 3.35Å; W562-T566 HydrophobicContact CH2-CG2 4.19Å; W562-T566 HydrophobicContact CZ2-CG2 4.31Å; W562-T566 VanDerWaalsContact O-CB 3.27Å; W562-T566 WeakPolarHBondContact O-CB 3.49Å; W562-T566 PolarHBondContact O-N 3.09Å; W562-T566 PolarHBondContact O-OG1 3.05Å; W562-P585 HydrophobicContact CG-CB 4.21Å; W562-K586 VanDerWaalsContact CD1-O 3.26Å; W562-L588 HydrophobicContact CD2-CD2 4.17Å; W562-L588 HydrophobicContact CD2-CG 4.44Å; W562-L588 HydrophobicContact CH2-CD1 4.3Å; W562-L588 HydrophobicContact CH2-CD2 4.49Å; W562-L588 HydrophobicContact CZ2-CD1 3.57Å; W562-L588 HydrophobicContact CZ2-CD2 4.03Å; W562-L588 HydrophobicContact CZ2-CG 3.8Å; W562-I591 HydrophobicContact CB-CD1 3.72Å; W562-I591 HydrophobicContact CG-CD1 3.97Å
563	L	96.9	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-49.7	-176.6	-177.9	58.1	0	0	0	110.8	A521 V522 A525 A537 A552 A559 T560 A565 T566 I567	A521-L563 HydrophobicContact CB-CD1 3.92Å; V522-L563 HydrophobicContact CG2-CD1 4.26Å; V522-L563 HydrophobicContact CG2-CD2 4.41Å; A525-L563 HydrophobicContact CB-CB 4.32Å; A525-L563 HydrophobicContact CB-CD1 4.27Å; A525-L563 HydrophobicContact CB-CD2 4.04Å; A525-L563 HydrophobicContact CB-CG 4.45Å; A537-L563 HydrophobicContact CB-CD1 4.32Å; A537-L563 HydrophobicContact CB-CD2 4.03Å; A537-L563 HydrophobicContact CB-CG 4.08Å; A552-L563 HydrophobicContact CB-CB 4.17Å; A552-L563 HydrophobicContact CB-CD2 4.04Å; A552-L563 HydrophobicContact CB-CG 3.84Å; A559-L563 WeakPolarHBondContact O-CB 3.44Å; A559-L563 PolarHBondContact O-N 3.4Å; T560-L563 PolarHBondContact O-N 2.98Å; L563-A565 PolarHBondContact O-N 3.14Å; L563-T566 WeakPolarHBondContact O-CB 3.34Å; L563-T566 PolarHBondContact O-N 3.1Å; L563-I567 HydrophobicContact CD1-CD1 4.11Å; L563-I567 HydrophobicContact CD1-CG1 4.05Å; L563-I567 HydrophobicContact CG-CG1 4.43Å; L563-I567 VanDerWaalsContact O-CG1 3.32Å; L563-I567 WeakPolarHBondContact O-CG1 3.49Å; L563-I567 PolarHBondContact O-N 3.2Å
564	S	96.8	Very high	95.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-46.5	178.6	57.2	0	0	0	0	112.7	L489 T560 D561 I567 A568	L489-S564 WeakPolarHBondContact CD1-O 3.46Å; T560-S564 VanDerWaalsContact O-CB 3.31Å; T560-S564 WeakPolarHBondContact O-CB 3.34Å; T560-S564 PolarHBondContact O-N 3.22Å; T560-S564 PolarHBondContact O-OG 3.46Å; D561-S564 PolarHBondContact O-OG 3.25Å; D561-S564 VanDerWaalsContact O-OG 3.06Å; S564-I567 PolarHBondContact O-N 2.99Å; S564-A568 WeakPolarHBondContact O-CB 3.47Å; S564-A568 PolarHBondContact O-N 3.25Å
565	A	96.9	Very high	95.8	Very high	19 Å²	19	40.3 Å²	40.3	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-38.2	177.3	0	0	0	0	0	112.2	D561 L563 A568 L569 P585	D561-A565 WeakPolarHBondContact O-CB 3.34Å; D561-A565 PolarHBondContact O-N 2.66Å; L563-A565 PolarHBondContact O-N 3.14Å; A565-A568 PolarHBondContact O-N 3.01Å; A565-L569 WeakPolarHBondContact O-CB 3.49Å; A565-L569 PolarHBondContact O-N 3.38Å; A565-P585 HydrophobicContact CB-CB 3.99Å
566	T	97.3	Very high	95.8	Very high	17 Å²	17	37 Å²	37	10%	0.104	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-50.6	174.7	-60.4	0	0	0	0	111	A521 W562 L563 A568 L569 I570 P585	A521-T566 HydrophobicContact CB-CG2 3.89Å; W562-T566 HydrophobicContact CH2-CG2 4.19Å; W562-T566 HydrophobicContact CZ2-CG2 4.31Å; W562-T566 VanDerWaalsContact O-CB 3.27Å; W562-T566 WeakPolarHBondContact O-CB 3.49Å; W562-T566 PolarHBondContact O-N 3.09Å; W562-T566 PolarHBondContact O-OG1 3.05Å; L563-T566 WeakPolarHBondContact O-CB 3.34Å; L563-T566 PolarHBondContact O-N 3.1Å; T566-A568 VanDerWaalsContact C-N 3.34Å; T566-A568 PolarHBondContact O-N 3.11Å; T566-L569 PolarHBondContact O-N 3.19Å; T566-I570 HydrophobicContact CG2-CD1 3.66Å; T566-I570 HydrophobicContact CG2-CG1 4.42Å; T566-I570 VanDerWaalsContact O-CG1 3.28Å; T566-I570 WeakPolarHBondContact O-CG1 2.98Å; T566-I570 PolarHBondContact O-N 3.41Å; T566-P585 WeakPolarHBondContact OG1-CG 3.3Å
567	I	97.8	Very high	95.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-42.8	178.5	-62	-40	0	0	0	110.7	I518 A521 A537 V539 I550 L563 S564 L569 I570 T571	I518-I567 HydrophobicContact CB-CD1 4.24Å; I518-I567 HydrophobicContact CG1-CD1 3.96Å; I518-I567 HydrophobicContact CG1-CG2 4.28Å; I518-I567 HydrophobicContact CG2-CD1 4.27Å; A521-I567 HydrophobicContact CB-CD1 3.61Å; A537-I567 HydrophobicContact CB-CD1 4.47Å; A537-I567 HydrophobicContact CB-CG1 3.78Å; V539-I567 HydrophobicContact CG1-CG2 3.43Å; V539-I567 VanDerWaalsContact CG1-CG2 3.43Å; I550-I567 HydrophobicContact CG1-CG2 4.26Å; I550-I567 HydrophobicContact CG2-CB 3.94Å; I550-I567 HydrophobicContact CG2-CG2 3.67Å; L563-I567 HydrophobicContact CD1-CD1 4.11Å; L563-I567 HydrophobicContact CD1-CG1 4.05Å; L563-I567 HydrophobicContact CG-CG1 4.43Å; L563-I567 VanDerWaalsContact O-CG1 3.32Å; L563-I567 WeakPolarHBondContact O-CG1 3.49Å; L563-I567 PolarHBondContact O-N 3.2Å; S564-I567 PolarHBondContact O-N 2.99Å; I567-L569 VanDerWaalsContact C-N 3.33Å; I567-L569 PolarHBondContact O-N 3.35Å; I567-I570 HydrophobicContact CD1-CD1 4.37Å; I567-I570 PolarHBondContact O-N 3.31Å; I567-T571 WeakPolarHBondContact O-CB 3.09Å; I567-T571 PolarHBondContact O-N 3.3Å; I567-T571 PolarHBondContact O-OG1 3.25Å
568	A	97.7	Very high	96.1	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-46.6	176.1	0	0	0	0	0	112.5	L489 V491 I550 S564 A565 T566 T571 Y572 P582	L489-A568 HydrophobicContact CD1-CB 4.03Å; V491-A568 HydrophobicContact CG2-CB 4.02Å; I550-A568 VanDerWaalsContact CD1-CA 3.47Å; I550-A568 HydrophobicContact CD1-CB 3.69Å; S564-A568 WeakPolarHBondContact O-CB 3.47Å; S564-A568 PolarHBondContact O-N 3.25Å; A565-A568 PolarHBondContact O-N 3.01Å; T566-A568 VanDerWaalsContact C-N 3.34Å; T566-A568 PolarHBondContact O-N 3.11Å; A568-T571 PolarHBondContact O-N 3.05Å; A568-Y572 WeakPolarHBondContact O-CB 3.44Å; A568-Y572 PolarHBondContact O-N 3.42Å; A568-P582 HydrophobicContact CB-CB 3.83Å; A568-P582 HydrophobicContact CB-CG 3.97Å
569	L	97.6	Very high	96.2	Very high	22 Å²	22	31.5 Å²	31.5	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-41.1	178.5	-178.5	63.1	0	0	0	112.4	A565 T566 I567 Y572 K573 Q581 P584	A565-L569 WeakPolarHBondContact O-CB 3.49Å; A565-L569 PolarHBondContact O-N 3.38Å; T566-L569 PolarHBondContact O-N 3.19Å; I567-L569 VanDerWaalsContact C-N 3.33Å; I567-L569 PolarHBondContact O-N 3.35Å; L569-Y572 PolarHBondContact O-N 3.4Å; L569-K573 HydrophobicContact CG-CD 4.47Å; L569-K573 WeakPolarHBondContact O-CG 3.49Å; L569-K573 PolarHBondContact O-N 3.34Å; L569-K573 VanDerWaalsContact O-N 3.11Å; L569-Q581 HydrophobicContact CD1-CG 4.02Å; L569-P584 HydrophobicContact CD2-CB 4.46Å
570	I	97.2	Very high	96	Very high	33 Å²	33	40.6 Å²	40.6	17%	0.169	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-47.1	176.6	-69.3	167.2	0	0	0	110.1	L514 A517 A521 T566 I567 Y572 K573 L574	L514-I570 HydrophobicContact CD1-CG2 3.72Å; A517-I570 HydrophobicContact CB-CD1 4.18Å; A517-I570 HydrophobicContact CB-CG2 3.5Å; A521-I570 HydrophobicContact CB-CD1 4.35Å; T566-I570 HydrophobicContact CG2-CD1 3.66Å; T566-I570 HydrophobicContact CG2-CG1 4.42Å; T566-I570 VanDerWaalsContact O-CG1 3.28Å; T566-I570 WeakPolarHBondContact O-CG1 2.98Å; T566-I570 PolarHBondContact O-N 3.41Å; I567-I570 HydrophobicContact CD1-CD1 4.37Å; I567-I570 PolarHBondContact O-N 3.31Å; I570-Y572 VanDerWaalsContact C-N 3.34Å; I570-Y572 PolarHBondContact O-N 3.47Å; I570-K573 PolarHBondContact O-N 3.21Å; I570-L574 HydrophobicContact CG2-CD1 3.7Å; I570-L574 HydrophobicContact CG2-CG 4.33Å; I570-L574 WeakPolarHBondContact O-CB 3.4Å; I570-L574 PolarHBondContact O-N 3.46Å
571	T	97.2	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-46.7	175.7	-58.3	0	0	0	0	111.1	V491 V539 V548 I567 A568 K573 L574 A575	V491-T571 HydrophobicContact CB-CG2 4.4Å; V491-T571 HydrophobicContact CG1-CG2 4.32Å; V539-T571 WeakPolarHBondContact CG1-OG1 3.18Å; V548-T571 HydrophobicContact CB-CG2 4.01Å; V548-T571 HydrophobicContact CG1-CG2 3.88Å; V548-T571 HydrophobicContact CG2-CG2 4.24Å; I567-T571 WeakPolarHBondContact O-CB 3.09Å; I567-T571 PolarHBondContact O-N 3.3Å; I567-T571 PolarHBondContact O-OG1 3.25Å; A568-T571 PolarHBondContact O-N 3.05Å; T571-K573 VanDerWaalsContact C-N 3.29Å; T571-K573 PolarHBondContact O-N 2.98Å; T571-L574 PolarHBondContact O-N 3.11Å; T571-A575 HydrophobicContact CG2-CB 4.17Å; T571-A575 WeakPolarHBondContact O-CA 3.32Å; T571-A575 WeakPolarHBondContact O-CB 3.35Å; T571-A575 PolarHBondContact O-N 3.4Å
572	Y	97.5	Very high	95.8	Very high	44 Å²	44	43 Å²	43	17%	0.173	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-43.6	177.3	-174.4	-82.9	0	0	0	111.8	V491 A568 L569 I570 G577 G579 Q581 P582	V491-Y572 HydrophobicContact CG1-CD2 4.09Å; A568-Y572 WeakPolarHBondContact O-CB 3.44Å; A568-Y572 PolarHBondContact O-N 3.42Å; L569-Y572 PolarHBondContact O-N 3.4Å; I570-Y572 VanDerWaalsContact C-N 3.34Å; I570-Y572 PolarHBondContact O-N 3.47Å; Y572-G577 VanDerWaalsContact CE2-C 3.47Å; Y572-G577 WeakPolarHBondContact O-CA 3.34Å; Y572-G577 PolarHBondContact O-N 3.06Å; Y572-G579 PolarHBondContact OH-O 3.13Å; Y572-Q581 HydrophobicContact CD1-CB 4.44Å; Y572-Q581 HydrophobicContact CD1-CG 3.93Å; Y572-Q581 HydrophobicContact CE1-CB 4.07Å; Y572-Q581 HydrophobicContact CE1-CG 3.98Å; Y572-Q581 HydrophobicContact CE2-CB 4.37Å; Y572-Q581 HydrophobicContact CG-CG 4.34Å; Y572-P582 VanDerWaalsContact CD2-CD 3.48Å; Y572-P582 HydrophobicContact CD2-CG 4.39Å; Y572-P582 HydrophobicContact CG-CG 4.5Å
573	K	96.7	Very high	95.6	Very high	137 Å²	137	48 Å²	48	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-72.9	-44.4	-178.6	-71.1	174.2	-180	177.4	0	113.3	L569 I570 T571	L569-K573 HydrophobicContact CG-CD 4.47Å; L569-K573 WeakPolarHBondContact O-CG 3.49Å; L569-K573 PolarHBondContact O-N 3.34Å; L569-K573 VanDerWaalsContact O-N 3.11Å; I570-K573 PolarHBondContact O-N 3.21Å; T571-K573 VanDerWaalsContact C-N 3.29Å; T571-K573 PolarHBondContact O-N 2.98Å
574	L	96.6	Very high	95.3	Very high	77 Å²	77	52 Å²	52	40%	0.403	30%	0.301	S	S	.	.	H	α-helix	trans	-92.7	-17.8	-170.2	-61.4	-178.1	0	0	0	113.8	E513 L514 A517 I570 T571	E513-L574 HydrophobicContact CB-CD1 4.48Å; L514-L574 HydrophobicContact CB-CB 4.37Å; L514-L574 HydrophobicContact CB-CD1 4.42Å; L514-L574 HydrophobicContact CD1-CB 4.42Å; L514-L574 HydrophobicContact CD1-CD1 4.48Å; A517-L574 HydrophobicContact CB-CD1 4.03Å; I570-L574 HydrophobicContact CG2-CD1 3.7Å; I570-L574 HydrophobicContact CG2-CG 4.33Å; I570-L574 WeakPolarHBondContact O-CB 3.4Å; I570-L574 PolarHBondContact O-N 3.46Å; T571-L574 PolarHBondContact O-N 3.11Å
575	A	94.6	Very high	94.9	Very high	11 Å²	11	53.5 Å²	53.5	9%	0.091	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	16.7	-179.9	0	0	0	0	0	114.2	V493 I499 L514 T571	V493-A575 HydrophobicContact CG1-CB 4.19Å; I499-A575 HydrophobicContact CD1-CB 3.68Å; I499-A575 HydrophobicContact CG1-CB 3.97Å; L514-A575 HydrophobicContact CD2-CB 4.32Å; T571-A575 HydrophobicContact CG2-CB 4.17Å; T571-A575 WeakPolarHBondContact O-CA 3.32Å; T571-A575 WeakPolarHBondContact O-CB 3.35Å; T571-A575 PolarHBondContact O-N 3.4Å
576	G	94.3	Very high	94.3	Very high	40 Å²	40	60.2 Å²	60.2	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	48.5	177.7	0	0	0	0	0	112.9	V493 A494	V493-G576 WeakPolarHBondContact CA-O 3.41Å; A494-G576 PolarHBondContact N-O 3.13Å
577	G	95.5	Very high	93.3	Very high	14 Å²	14	63.7 Å²	63.7	14%	0.144	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-57	143.1	175.1	0	0	0	0	0	112.6	T492 Y572	T492-G577 VanDerWaalsContact O-CA 3.29Å; T492-G577 WeakPolarHBondContact O-CA 3.49Å; Y572-G577 VanDerWaalsContact CE2-C 3.47Å; Y572-G577 WeakPolarHBondContact O-CA 3.34Å; Y572-G577 PolarHBondContact O-N 3.06Å
578	I	95.4	Very high	91.9	Very high	82 Å²	82	66.2 Å²	66.2	42%	0.421	37%	0.373	S	S	.	.			trans	-131	155.3	178.6	61.7	170.8	0	0	0	110.9	T492 A494	T492-I578 HydrophobicContact CG2-CD1 3.99Å; T492-I578 HydrophobicContact CG2-CG1 3.67Å; T492-I578 PolarHBondContact O-N 3.44Å; A494-I578 HydrophobicContact CB-CG2 3.93Å
579	G	93.6	Very high	90.4	Very high	66 Å²	66	74.4 Å²	74.4	68%	0.68	41%	0.41	S	S	*	.	S	Bend	trans	83.3	-138	179.9	0	0	0	0	0	112.6	Y572 Q581	Y572-G579 PolarHBondContact OH-O 3.13Å; G579-Q581 PolarHBondContact O-N 3.25Å
580	H	90.5	Very high	88.8	Confident	191 Å²	191	76.2 Å²	76.2	88%	0.884	42%	0.424	S	S	*	.	S	Bend	trans	-73.6	119.3	-179.2	-69.3	-70.9	0	0	0	110.9
581	Q	92.9	Very high	87.1	Confident	107 Å²	107	76.3 Å²	76.3	50%	0.5	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-64.4	137	173.1	-174.5	177.5	-19.8	0	0	110.4	L569 Y572 G579	L569-Q581 HydrophobicContact CD1-CG 4.02Å; Y572-Q581 HydrophobicContact CD1-CB 4.44Å; Y572-Q581 HydrophobicContact CD1-CG 3.93Å; Y572-Q581 HydrophobicContact CE1-CB 4.07Å; Y572-Q581 HydrophobicContact CE1-CG 3.98Å; Y572-Q581 HydrophobicContact CE2-CB 4.37Å; Y572-Q581 HydrophobicContact CG-CG 4.34Å; G579-Q581 PolarHBondContact O-N 3.25Å
582	P	93.3	Very high	84.9	Confident	25 Å²	25	80.8 Å²	80.8	16%	0.162	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-56.6	140.4	174.6	-28	36.7	0	0	0	112.7	V491 A568 Y572	V491-P582 HydrophobicContact CG2-CG 3.81Å; A568-P582 HydrophobicContact CB-CB 3.83Å; A568-P582 HydrophobicContact CB-CG 3.97Å; Y572-P582 VanDerWaalsContact CD2-CD 3.48Å; Y572-P582 HydrophobicContact CD2-CG 4.39Å; Y572-P582 HydrophobicContact CG-CG 4.5Å
583	T	91.3	Very high	82.4	Confident	118 Å²	118	86 Å²	86	72%	0.724	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-59.8	126.9	175.5	-52.8	0	0	0	0	109.9
584	P	89.9	Confident	81.7	Confident	85 Å²	85	83.4 Å²	83.4	55%	0.552	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-58.2	143.4	176.4	-24.7	34.2	0	0	0	111.9	L569	L569-P584 HydrophobicContact CD2-CB 4.46Å
585	P	88.7	Confident	80.9	Confident	33 Å²	33	83.7 Å²	83.7	21%	0.214	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-61.6	152.1	173.9	30.1	-38.5	0	0	0	110.6	W562 A565 T566	W562-P585 HydrophobicContact CG-CB 4.21Å; A565-P585 HydrophobicContact CB-CB 3.99Å; T566-P585 WeakPolarHBondContact OG1-CG 3.3Å
586	K	84.7	Confident	80.1	Confident	159 Å²	159	87.8 Å²	87.8	69%	0.691	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.9	144.5	167.4	-69.2	-178.7	-180	174.7	0	109.4	W562 L588	W562-K586 VanDerWaalsContact CD1-O 3.26Å; K586-L588 PolarHBondContact O-N 3.42Å
587	P	77.2	Confident	79.3	Confident	91 Å²	91	90.6 Å²	90.6	59%	0.591	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.9	138.9	178.7	-24.4	33.4	0	0	0	111.9	H589 S590	P587-H589 PolarHBondContact O-N 3.41Å; P587-H589 VanDerWaalsContact O-N 3.08Å; P587-S590 WeakPolarHBondContact O-CB 3.02Å; P587-S590 PolarHBondContact O-N 3.39Å; P587-S590 PolarHBondContact O-OG 3.31Å
588	L	67	Low	78.3	Confident	53 Å²	53	95.4 Å²	95.4	28%	0.277	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-47.7	-40.8	180	-85.5	149.4	0	0	0	113.1	L528 W562 K586 S590 I591	L528-L588 HydrophobicContact CB-CD2 4.26Å; L528-L588 HydrophobicContact CD1-CD2 3.94Å; L528-L588 HydrophobicContact CD2-CD2 3.97Å; L528-L588 HydrophobicContact CG-CD2 4.29Å; W562-L588 HydrophobicContact CD2-CD2 4.17Å; W562-L588 HydrophobicContact CD2-CG 4.44Å; W562-L588 HydrophobicContact CH2-CD1 4.3Å; W562-L588 HydrophobicContact CH2-CD2 4.49Å; W562-L588 HydrophobicContact CZ2-CD1 3.57Å; W562-L588 HydrophobicContact CZ2-CD2 4.03Å; W562-L588 HydrophobicContact CZ2-CG 3.8Å; K586-L588 PolarHBondContact O-N 3.42Å; L588-S590 PolarHBondContact O-N 3.43Å; L588-I591 PolarHBondContact O-N 2.9Å; L588-I591 VanDerWaalsContact O-N 3.15Å
589	H	67.1	Low	77.1	Confident	175 Å²	175	96.3 Å²	96.3	81%	0.81	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-64.1	-21	179.7	-62.7	-62.5	0	0	0	114.8	P587 I591	P587-H589 PolarHBondContact O-N 3.41Å; P587-H589 VanDerWaalsContact O-N 3.08Å; H589-I591 VanDerWaalsContact C-N 3.33Å
590	S	63.4	Low	75.9	Confident	59 Å²	59	98.4 Å²	98.4	41%	0.413	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-86.2	-3.3	178.3	66.5	0	0	0	0	114.1	P587 L588	P587-S590 WeakPolarHBondContact O-CB 3.02Å; P587-S590 PolarHBondContact O-N 3.39Å; P587-S590 PolarHBondContact O-OG 3.31Å; L588-S590 PolarHBondContact O-N 3.43Å
591	I	60.9	Low	74.8	Confident	35 Å²	35	91.3 Å²	91.3	18%	0.179	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-27	-179.1	-62	170.1	0	0	0	111.3	L528 E558 W562 L588 H589 S593	L528-I591 HydrophobicContact CD1-CG2 4.45Å; L528-I591 HydrophobicContact CD2-CG2 4.1Å; E558-I591 HydrophobicContact CB-CG2 3.35Å; E558-I591 HydrophobicContact CG-CG2 4.15Å; W562-I591 HydrophobicContact CB-CD1 3.72Å; W562-I591 HydrophobicContact CG-CD1 3.97Å; L588-I591 PolarHBondContact O-N 2.9Å; L588-I591 VanDerWaalsContact O-N 3.15Å; H589-I591 VanDerWaalsContact C-N 3.33Å; I591-S593 VanDerWaalsContact C-N 3.3Å; I591-S593 PolarHBondContact O-N 3.37Å
592	C	52.4	Low	73.3	Confident	95 Å²	95	90 Å²	90	64%	0.642	53%	0.527	S	S	*	.			trans	-80.1	-2.3	179.7	-62.4	0	0	0	0	115.3	L528	L528-C592 WeakPolarHBondContact CD1-SG 3.36Å
593	S	44.2	Very low	71.5	Confident	152 Å²	152	95.9 Å²	95.9	100%	1.063	56%	0.56	S	S	*	*			trans	-94.8	0	177.2	59.9	0	0	0	0	110.5	I591	I591-S593 VanDerWaalsContact C-N 3.3Å; I591-S593 PolarHBondContact O-N 3.37Å

Retrieved 593 of 593 residues in 829.3 ms (Link to these results)

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