C4Q7T4_SCHMA Loading...

Nuclear protein localization, putative

AlphaFold DB , UniProt , Accession C4Q7T4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 692 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	88.8	Confident	90.2	Very high	29 Å²	29	59 Å²	59	14%	0.143	32%	0.321	C	S	.	.				0	143.3	0	175.3	-177.5	63.8	0	0	108.3	I3 E15 L16 E18 L61 L66 H68	M1-I3 HydrophobicContact CE-CD1 3.73Å; M1-I3 HydrophobicContact CE-CG1 3.77Å; M1-I3 HydrophobicContact CG-CD1 4.13Å; M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I3 HydrophobicContact SD-CD1 3.74Å; M1-I3 HydrophobicContact SD-CG1 4.34Å; M1-E15 WeakPolarHBondContact O-CA 3.38Å; M1-L16 CarbonylContact C-O 3.54Å; M1-L16 VanDerWaalsContact CA-O 3.3Å; M1-L16 WeakPolarHBondContact CA-O 3.4Å; M1-L16 WeakPolarHBondContact CB-O 3.28Å; M1-L16 HydrophobicContact CE-CD2 4.39Å; M1-L16 PolarHBondContact N-O 2.96Å; M1-L16 PolarHBondContact O-N 3.29Å; M1-E18 HydrophobicContact CB-CG 3.84Å; M1-E18 HydrophobicContact CE-CG 4.31Å; M1-E18 HydrophobicContact CG-CG 4.32Å; M1-E18 HydrophobicContact SD-CG 3.78Å; M1-L61 HydrophobicContact CE-CB 4.25Å; M1-L61 HydrophobicContact CE-CD1 3.99Å; M1-L66 HydrophobicContact CE-CB 4.32Å; M1-L66 HydrophobicContact SD-CB 4.46Å; M1-L66 VanDerWaalsContact SD-O 3.37Å; M1-H68 HydrophobicContact CG-CB 4.05Å
2	I	90.4	Very high	90.4	Very high	49 Å²	49	60.6 Å²	60.6	25%	0.251	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.6	176.2	-58.6	176.2	0	0	0	108.4	R13 I14 E15 H68 G69	I2-R13 HydrophobicContact CG2-CB 3.92Å; I2-R13 HydrophobicContact CG2-CG 4.32Å; I2-I14 CarbonylContact C-O 3.55Å; I2-I14 WeakPolarHBondContact CA-O 3.45Å; I2-E15 HydrophobicContact CG1-CB 4.45Å; I2-E15 HydrophobicContact CG1-CG 4.28Å; I2-H68 PolarHBondContact N-ND1 3.44Å; I2-G69 PolarHBondContact O-N 2.81Å
3	I	94.2	Very high	90.6	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.5	174.4	-60	-63.2	0	0	0	109	M1 V5 R13 I14 L16 L66 K67 D70 L72	M1-I3 HydrophobicContact CE-CD1 3.73Å; M1-I3 HydrophobicContact CE-CG1 3.77Å; M1-I3 HydrophobicContact CG-CD1 4.13Å; M1-I3 HydrophobicContact CG-CG1 4.43Å; M1-I3 HydrophobicContact SD-CD1 3.74Å; M1-I3 HydrophobicContact SD-CG1 4.34Å; I3-V5 HydrophobicContact CG2-CG2 4.15Å; I3-R13 WeakPolarHBondContact O-CA 3.44Å; I3-I14 PolarHBondContact N-O 3.24Å; I3-I14 PolarHBondContact O-N 2.63Å; I3-L16 HydrophobicContact CB-CD2 4.47Å; I3-L16 HydrophobicContact CG1-CD2 3.98Å; I3-L66 HydrophobicContact CD1-CB 4.1Å; I3-K67 WeakPolarHBondContact CD1-O 3.44Å; I3-D70 HydrophobicContact CD1-CB 4.05Å; I3-L72 HydrophobicContact CG2-CD1 3.78Å; I3-L72 HydrophobicContact CG2-CG 4.08Å
4	R	95	Very high	90.8	Very high	106 Å²	106	65.3 Å²	65.3	40%	0.4	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.8	173.9	-63.9	179.5	-72	168.1	-2.2	108.1	I11 R13 G69 D70 L71 L72	R4-I11 HydrophobicContact CB-CG2 4.25Å; R4-R13 HydrophobicContact CG-CG 4.25Å; R4-G69 VanDerWaalsContact CZ-O 3.23Å; R4-G69 PolarHBondContact NE-O 2.89Å; R4-G69 PolarHBondContact NH2-O 3.48Å; R4-D70 PolarHBondContact N-O 2.74Å; R4-L71 HydrophobicContact CB-CD1 3.74Å; R4-L71 CarbonylContact O-C 3.55Å; R4-L71 WeakPolarHBondContact O-CA 3.4Å; R4-L72 PolarHBondContact O-N 2.82Å
5	V	95.7	Very high	90.9	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.2	174.9	-178.5	0	0	0	0	108.1	I3 I11 K12 I14 V29 F33 L43 L72 L74	I3-V5 HydrophobicContact CG2-CG2 4.15Å; V5-I11 CarbonylContact O-C 3.54Å; V5-I11 VanDerWaalsContact O-CA 3.27Å; V5-I11 WeakPolarHBondContact O-CA 3.47Å; V5-K12 PolarHBondContact N-O 3.16Å; V5-K12 PolarHBondContact O-N 3.21Å; V5-I14 HydrophobicContact CG2-CD1 3.85Å; V5-I14 HydrophobicContact CG2-CG1 4.44Å; V5-V29 HydrophobicContact CG2-CG2 4.11Å; V5-F33 HydrophobicContact CB-CE2 3.74Å; V5-F33 HydrophobicContact CB-CZ 3.98Å; V5-F33 HydrophobicContact CG1-CE2 3.65Å; V5-F33 HydrophobicContact CG1-CZ 3.93Å; V5-F33 WeakPolarHBondContact O-CZ 3.45Å; V5-L43 HydrophobicContact CG1-CD2 3.85Å; V5-L72 CarbonylContact C-O 3.56Å; V5-L72 VanDerWaalsContact CA-O 3.29Å; V5-L72 WeakPolarHBondContact CA-O 3.23Å; V5-L72 HydrophobicContact CG2-CB 4.43Å; V5-L74 HydrophobicContact CG1-CB 4.08Å
6	Q	93.5	Very high	91	Very high	58 Å²	58	67 Å²	67	27%	0.271	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.7	177.1	-178.3	167.6	-4.2	0	0	109.9	I11 L71 L72 F73 L74	Q6-I11 HydrophobicContact CB-CG1 3.89Å; Q6-I11 HydrophobicContact CG-CD1 4.4Å; Q6-I11 HydrophobicContact CG-CG1 3.81Å; Q6-L71 HydrophobicContact CB-CD1 4.09Å; Q6-L72 PolarHBondContact N-O 2.88Å; Q6-F73 HydrophobicContact CB-CD1 3.93Å; Q6-F73 HydrophobicContact CB-CE1 4.16Å; Q6-F73 HydrophobicContact CG-CD1 4.23Å; Q6-F73 HydrophobicContact CG-CE1 4.35Å; Q6-F73 WeakPolarHBondContact O-CA 3.45Å; Q6-L74 PolarHBondContact O-N 2.77Å
7	S	90.9	Very high	90.8	Very high	11 Å²	11	66.9 Å²	66.9	8%	0.077	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	171.4	171.7	73.8	0	0	0	0	109.4	N9 G10 F33	S7-N9 PolarHBondContact O-N 3.43Å; S7-N9 VanDerWaalsContact O-N 3.12Å; S7-N9 PolarHBondContact OG-N 3.21Å; S7-N9 VanDerWaalsContact OG-N 3.14Å; S7-G10 PolarHBondContact N-O 3.13Å; S7-G10 PolarHBondContact O-N 3.02Å; S7-G10 PolarHBondContact OG-O 3.29Å; S7-G10 VanDerWaalsContact OG-O 3.09Å; S7-F33 WeakPolarHBondContact OG-CD1 3.32Å; S7-F33 WeakPolarHBondContact OG-CE1 3.42Å
8	P	82.1	Confident	90.5	Very high	121 Å²	121	68.3 Å²	68.3	79%	0.786	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.6	169.2	-26.6	36	0	0	0	113.7	G10	P8-G10 VanDerWaalsContact C-N 3.29Å; P8-G10 PolarHBondContact O-N 2.99Å
9	N	81.3	Confident	90.2	Very high	145 Å²	145	69.8 Å²	69.8	78%	0.775	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	6.4	179.9	-62.7	-12.6	0	0	0	113.3	S7	S7-N9 PolarHBondContact O-N 3.43Å; S7-N9 VanDerWaalsContact O-N 3.12Å; S7-N9 PolarHBondContact OG-N 3.21Å; S7-N9 VanDerWaalsContact OG-N 3.14Å
10	G	85.9	Confident	90.3	Very high	32 Å²	32	67.7 Å²	67.7	33%	0.33	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	113.1	-172.6	179	0	0	0	0	0	114.2	S7 P8	S7-G10 PolarHBondContact N-O 3.13Å; S7-G10 PolarHBondContact O-N 3.02Å; S7-G10 PolarHBondContact OG-O 3.29Å; S7-G10 VanDerWaalsContact OG-O 3.09Å; P8-G10 VanDerWaalsContact C-N 3.29Å; P8-G10 PolarHBondContact O-N 2.99Å
11	I	94.2	Very high	90.3	Very high	98 Å²	98	66 Å²	66	50%	0.503	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.4	-174.4	-56.9	175.1	0	0	0	110	R4 V5 Q6	R4-I11 HydrophobicContact CB-CG2 4.25Å; V5-I11 CarbonylContact O-C 3.54Å; V5-I11 VanDerWaalsContact O-CA 3.27Å; V5-I11 WeakPolarHBondContact O-CA 3.47Å; Q6-I11 HydrophobicContact CB-CG1 3.89Å; Q6-I11 HydrophobicContact CG-CD1 4.4Å; Q6-I11 HydrophobicContact CG-CG1 3.81Å
12	K	92.4	Very high	90.5	Very high	78 Å²	78	65.2 Å²	65.2	34%	0.339	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149	172.3	-60	-172.8	-178.3	-169.3	0	110.6	V5 K32 F33	V5-K12 PolarHBondContact N-O 3.16Å; V5-K12 PolarHBondContact O-N 3.21Å; K12-K32 HydrophobicContact CD-CB 4.07Å; K12-K32 WeakPolarHBondContact CD-O 3.33Å; K12-K32 VanDerWaalsContact CE-O 3.25Å; K12-K32 WeakPolarHBondContact CE-O 3.09Å; K12-K32 PolarHBondContact NZ-O 3.43Å; K12-F33 HydrophobicContact CB-CE1 4.11Å; K12-F33 HydrophobicContact CB-CE2 3.87Å; K12-F33 HydrophobicContact CB-CZ 3.52Å; K12-F33 HydrophobicContact CD-CD1 4.03Å; K12-F33 HydrophobicContact CD-CD2 4.48Å; K12-F33 HydrophobicContact CD-CE1 3.88Å; K12-F33 HydrophobicContact CD-CE2 4.36Å; K12-F33 HydrophobicContact CD-CG 4.32Å; K12-F33 HydrophobicContact CD-CZ 4.07Å; K12-F33 HydrophobicContact CG-CD1 4.39Å; K12-F33 HydrophobicContact CG-CE1 3.72Å; K12-F33 HydrophobicContact CG-CE2 4.3Å; K12-F33 HydrophobicContact CG-CZ 3.69Å
13	R	94	Very high	90.5	Very high	185 Å²	185	65.3 Å²	65.3	70%	0.698	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.2	178.7	-64.3	-178.2	-176.7	175.6	0.9	109.5	I2 I3 R4	I2-R13 HydrophobicContact CG2-CB 3.92Å; I2-R13 HydrophobicContact CG2-CG 4.32Å; I3-R13 WeakPolarHBondContact O-CA 3.44Å; R4-R13 HydrophobicContact CG-CG 4.25Å
14	I	93.5	Very high	90.4	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.3	179.8	-53.5	-177.5	0	0	0	108.1	I2 I3 V5 L16 L25 L28 V29 K32	I2-I14 CarbonylContact C-O 3.55Å; I2-I14 WeakPolarHBondContact CA-O 3.45Å; I3-I14 PolarHBondContact N-O 3.24Å; I3-I14 PolarHBondContact O-N 2.63Å; V5-I14 HydrophobicContact CG2-CD1 3.85Å; V5-I14 HydrophobicContact CG2-CG1 4.44Å; I14-L16 HydrophobicContact CB-CD2 4.48Å; I14-L16 HydrophobicContact CG2-CD2 4.03Å; I14-L16 WeakPolarHBondContact O-CD2 3.29Å; I14-L25 HydrophobicContact CD1-CD1 4.24Å; I14-L25 HydrophobicContact CG2-CD1 4.37Å; I14-L28 HydrophobicContact CD1-CB 4.45Å; I14-L28 HydrophobicContact CG2-CB 3.55Å; I14-L28 HydrophobicContact CG2-CD1 3.65Å; I14-L28 HydrophobicContact CG2-CG 4.2Å; I14-V29 HydrophobicContact CD1-CB 4.11Å; I14-V29 HydrophobicContact CD1-CG2 3.24Å; I14-K32 HydrophobicContact CG1-CG 4.4Å
15	E	92.2	Very high	90.3	Very high	153 Å²	153	64.8 Å²	64.8	72%	0.715	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	121	177.9	-173	168.8	-168.7	0	0	110	M1 I2	M1-E15 WeakPolarHBondContact O-CA 3.38Å; I2-E15 HydrophobicContact CG1-CB 4.45Å; I2-E15 HydrophobicContact CG1-CG 4.28Å
16	L	91.9	Very high	90.2	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.342	C	S	.	.			trans	-155.4	146	179.1	66.7	179.1	0	0	0	110.4	M1 I3 I14 L25 L28 L61	M1-L16 CarbonylContact C-O 3.54Å; M1-L16 VanDerWaalsContact CA-O 3.3Å; M1-L16 WeakPolarHBondContact CA-O 3.4Å; M1-L16 WeakPolarHBondContact CB-O 3.28Å; M1-L16 HydrophobicContact CE-CD2 4.39Å; M1-L16 PolarHBondContact N-O 2.96Å; M1-L16 PolarHBondContact O-N 3.29Å; I3-L16 HydrophobicContact CB-CD2 4.47Å; I3-L16 HydrophobicContact CG1-CD2 3.98Å; I14-L16 HydrophobicContact CB-CD2 4.48Å; I14-L16 HydrophobicContact CG2-CD2 4.03Å; I14-L16 WeakPolarHBondContact O-CD2 3.29Å; L16-L25 HydrophobicContact CD1-CB 3.79Å; L16-L25 HydrophobicContact CD1-CD1 3.88Å; L16-L25 HydrophobicContact CD1-CG 4.4Å; L16-L25 HydrophobicContact CD2-CD1 4.32Å; L16-L28 HydrophobicContact CB-CD1 4.17Å; L16-L28 HydrophobicContact CD1-CD1 4.33Å; L16-L61 HydrophobicContact CD1-CD1 3.32Å; L16-L61 HydrophobicContact CG-CD1 3.71Å
17	P	87.5	Confident	90.1	Very high	65 Å²	65	65.8 Å²	65.8	42%	0.422	35%	0.347	S	S	.	.			trans	-67.5	150.2	174.3	25.6	-33.3	0	0	0	112.1	T19 D20	P17-T19 PolarHBondContact O-N 3.31Å; P17-T19 VanDerWaalsContact O-N 3.15Å; P17-D20 VanDerWaalsContact CD-OD2 3.25Å; P17-D20 WeakPolarHBondContact CD-OD2 3.38Å; P17-D20 HydrophobicContact CG-CB 4.43Å; P17-D20 WeakPolarHBondContact CG-OD2 3.37Å; P17-D20 WeakPolarHBondContact O-CB 3.35Å; P17-D20 PolarHBondContact O-N 3.42Å; P17-D20 VanDerWaalsContact O-N 3.12Å
18	E	85.5	Confident	90.2	Very high	92 Å²	92	67 Å²	67	43%	0.43	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-179.8	-60.5	-177.3	-179.4	0	0	112.9	M1 D20 T62	M1-E18 HydrophobicContact CB-CG 3.84Å; M1-E18 HydrophobicContact CE-CG 4.31Å; M1-E18 HydrophobicContact CG-CG 4.32Å; M1-E18 HydrophobicContact SD-CG 3.78Å; E18-D20 VanDerWaalsContact C-N 3.27Å; E18-D20 PolarHBondContact O-N 2.91Å; E18-T62 HydrophobicContact CB-CG2 3.79Å; E18-T62 WeakPolarHBondContact O-CG2 3.29Å; E18-T62 PolarHBondContact O-N 3.27Å
19	T	85.3	Confident	90.8	Very high	98 Å²	98	61.3 Å²	61.3	60%	0.601	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.8	178	53.4	0	0	0	0	114	P17	P17-T19 PolarHBondContact O-N 3.31Å; P17-T19 VanDerWaalsContact O-N 3.15Å
20	D	91.2	Very high	91.3	Very high	27 Å²	27	55.1 Å²	55.1	14%	0.144	28%	0.283	C	S	.	.	S	Bend	trans	-70.1	165.7	179.9	-85.6	-17.4	0	0	0	112.4	P17 E18 K24 R60 L61	P17-D20 VanDerWaalsContact CD-OD2 3.25Å; P17-D20 WeakPolarHBondContact CD-OD2 3.38Å; P17-D20 HydrophobicContact CG-CB 4.43Å; P17-D20 WeakPolarHBondContact CG-OD2 3.37Å; P17-D20 WeakPolarHBondContact O-CB 3.35Å; P17-D20 PolarHBondContact O-N 3.42Å; P17-D20 VanDerWaalsContact O-N 3.12Å; E18-D20 VanDerWaalsContact C-N 3.27Å; E18-D20 PolarHBondContact O-N 2.91Å; D20-K24 HydrophobicContact CB-CD 4.23Å; D20-K24 IonicContact OD1-NZ 3.55Å; D20-K24 PolarHBondContact OD1-NZ 3.49Å; D20-K24 WeakPolarHBondContact OD2-CD 3.41Å; D20-K24 WeakPolarHBondContact OD2-CE 3.23Å; D20-K24 IonicContact OD2-NZ 3.55Å; D20-K24 PolarHBondContact OD2-NZ 3.34Å; D20-R60 WeakPolarHBondContact O-CA 3.3Å; D20-L61 HydrophobicContact CB-CD1 4.09Å; D20-L61 WeakPolarHBondContact O-CG 3.25Å; D20-L61 PolarHBondContact O-N 3.36Å
21	S	91.6	Very high	91.5	Very high	33 Å²	33	59.8 Å²	59.8	23%	0.231	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-86.2	158.2	178.4	62.2	0	0	0	0	112.7	D23 K24 L25 T59	S21-D23 PolarHBondContact O-N 2.83Å; S21-K24 PolarHBondContact O-N 3.12Å; S21-K24 PolarHBondContact OG-N 2.81Å; S21-L25 PolarHBondContact O-N 3.46Å; S21-T59 CarbonylContact C-O 3.59Å; S21-T59 WeakPolarHBondContact CA-O 3.37Å
22	Y	92.3	Very high	91.4	Very high	12 Å²	12	59.8 Å²	59.8	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-36.1	171.1	-175.1	-130	0	0	0	111.6	K24 L25 L26 L43 L53 A55 L57 T59 L64	Y22-K24 VanDerWaalsContact C-N 3.28Å; Y22-K24 PolarHBondContact O-N 3.27Å; Y22-L25 HydrophobicContact CD2-CD2 4.19Å; Y22-L25 HydrophobicContact CE2-CD2 4.31Å; Y22-L25 WeakPolarHBondContact O-CB 3.1Å; Y22-L25 PolarHBondContact O-N 3.43Å; Y22-L26 HydrophobicContact CD1-CD1 4.04Å; Y22-L26 HydrophobicContact CD2-CG 4.5Å; Y22-L26 HydrophobicContact CE1-CD1 3.75Å; Y22-L26 HydrophobicContact CE1-CD2 4.45Å; Y22-L26 HydrophobicContact CE1-CG 4.26Å; Y22-L26 HydrophobicContact CE2-CD2 4.12Å; Y22-L26 HydrophobicContact CE2-CG 4.2Å; Y22-L26 WeakPolarHBondContact O-CG 3.42Å; Y22-L26 PolarHBondContact O-N 3.49Å; Y22-L43 HydrophobicContact CE2-CD1 4.28Å; Y22-L53 HydrophobicContact CE2-CB 4.21Å; Y22-L53 HydrophobicContact CE2-CD1 4.08Å; Y22-L53 PolarHBondContact OH-O 3.4Å; Y22-A55 HydrophobicContact CD1-CB 4.13Å; Y22-A55 HydrophobicContact CE1-CB 4.48Å; Y22-L57 PolarHBondContact N-O 3.32Å; Y22-T59 WeakPolarHBondContact CB-O 3.39Å; Y22-T59 PolarHBondContact N-O 3.11Å; Y22-L64 HydrophobicContact CD2-CD1 3.42Å; Y22-L64 VanDerWaalsContact CD2-CD1 3.42Å; Y22-L64 HydrophobicContact CE2-CD1 4.12Å; Y22-L64 HydrophobicContact CG-CD1 3.73Å
23	D	91.4	Very high	91.3	Very high	51 Å²	51	56.6 Å²	56.6	27%	0.273	28%	0.279	S	S	.	.	H	α-helix	trans	-53.7	-44.5	174.4	-167	73	0	0	0	112.5	S21 L26 T27 R37 L57	S21-D23 PolarHBondContact O-N 2.83Å; D23-L26 PolarHBondContact O-N 2.77Å; D23-T27 PolarHBondContact O-N 2.82Å; D23-T27 PolarHBondContact O-OG1 2.88Å; D23-R37 PolarHBondContact O-NH2 3Å; D23-R37 IonicContact OD1-CZ 2.75Å; D23-R37 IonicContact OD1-NH2 3.61Å; D23-R37 PolarHBondContact OD1-NH2 3.44Å; D23-R37 IonicContact OD2-NH2 3.85Å; D23-R37 PolarHBondContact OD2-NH2 3.05Å; D23-L57 HydrophobicContact CB-CB 3.95Å; D23-L57 VanDerWaalsContact CB-O 3.27Å; D23-L57 WeakPolarHBondContact CB-O 3.23Å; D23-L57 PolarHBondContact N-O 2.92Å
24	K	90.8	Very high	91	Very high	95 Å²	95	54.7 Å²	54.7	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-71.7	-36.2	-179.1	-167.2	165.3	170.5	-159.7	0	112.1	D20 S21 Y22 T27 L28	D20-K24 HydrophobicContact CB-CD 4.23Å; D20-K24 IonicContact OD1-NZ 3.55Å; D20-K24 PolarHBondContact OD1-NZ 3.49Å; D20-K24 WeakPolarHBondContact OD2-CD 3.41Å; D20-K24 WeakPolarHBondContact OD2-CE 3.23Å; D20-K24 IonicContact OD2-NZ 3.55Å; D20-K24 PolarHBondContact OD2-NZ 3.34Å; S21-K24 PolarHBondContact O-N 3.12Å; S21-K24 PolarHBondContact OG-N 2.81Å; Y22-K24 VanDerWaalsContact C-N 3.28Å; Y22-K24 PolarHBondContact O-N 3.27Å; K24-T27 PolarHBondContact O-N 2.99Å; K24-L28 WeakPolarHBondContact O-CG 3.25Å; K24-L28 PolarHBondContact O-N 2.87Å
25	L	93.7	Very high	90.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-48.2	169.5	175.4	61.5	0	0	0	110.8	I14 L16 S21 Y22 T27 L28 V29 L43 L61 L66 L72	I14-L25 HydrophobicContact CD1-CD1 4.24Å; I14-L25 HydrophobicContact CG2-CD1 4.37Å; L16-L25 HydrophobicContact CD1-CB 3.79Å; L16-L25 HydrophobicContact CD1-CD1 3.88Å; L16-L25 HydrophobicContact CD1-CG 4.4Å; L16-L25 HydrophobicContact CD2-CD1 4.32Å; S21-L25 PolarHBondContact O-N 3.46Å; Y22-L25 HydrophobicContact CD2-CD2 4.19Å; Y22-L25 HydrophobicContact CE2-CD2 4.31Å; Y22-L25 WeakPolarHBondContact O-CB 3.1Å; Y22-L25 PolarHBondContact O-N 3.43Å; L25-T27 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 2.98Å; L25-V29 HydrophobicContact CD1-CG2 4.34Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.14Å; L25-L43 HydrophobicContact CD2-CD1 4.15Å; L25-L43 HydrophobicContact CG-CD1 4.28Å; L25-L61 HydrophobicContact CB-CD2 3.94Å; L25-L61 HydrophobicContact CD2-CD2 3.77Å; L25-L61 HydrophobicContact CG-CD2 4.48Å; L25-L66 HydrophobicContact CD2-CD1 3.91Å; L25-L72 HydrophobicContact CD2-CD1 4.24Å
26	L	93.3	Very high	90.3	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-40.9	178.1	-65.3	174.1	0	0	0	112	Y22 D23 L28 V29 C30 W41 L43 L57	Y22-L26 HydrophobicContact CD1-CD1 4.04Å; Y22-L26 HydrophobicContact CD2-CG 4.5Å; Y22-L26 HydrophobicContact CE1-CD1 3.75Å; Y22-L26 HydrophobicContact CE1-CD2 4.45Å; Y22-L26 HydrophobicContact CE1-CG 4.26Å; Y22-L26 HydrophobicContact CE2-CD2 4.12Å; Y22-L26 HydrophobicContact CE2-CG 4.2Å; Y22-L26 WeakPolarHBondContact O-CG 3.42Å; Y22-L26 PolarHBondContact O-N 3.49Å; D23-L26 PolarHBondContact O-N 2.77Å; L26-L28 PolarHBondContact O-N 2.57Å; L26-V29 WeakPolarHBondContact O-CB 3Å; L26-V29 PolarHBondContact O-N 3.09Å; L26-C30 PolarHBondContact O-N 2.91Å; L26-C30 PolarHBondContact O-SG 3.44Å; L26-W41 HydrophobicContact CB-CH2 4.26Å; L26-W41 HydrophobicContact CD2-CH2 3.62Å; L26-W41 HydrophobicContact CD2-CZ3 3.58Å; L26-W41 HydrophobicContact CG-CH2 4.5Å; L26-L43 HydrophobicContact CD2-CD1 3.79Å; L26-L43 HydrophobicContact CD2-CG 4.24Å; L26-L57 HydrophobicContact CD1-CD2 3.7Å
27	T	91.8	Very high	89.9	Confident	59 Å²	59	58.5 Å²	58.5	36%	0.362	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-46.8	175.5	-52.5	0	0	0	0	111.7	D23 K24 L25 V29 C30 E31 R37	D23-T27 PolarHBondContact O-N 2.82Å; D23-T27 PolarHBondContact O-OG1 2.88Å; K24-T27 PolarHBondContact O-N 2.99Å; L25-T27 PolarHBondContact O-N 3.23Å; T27-V29 VanDerWaalsContact C-N 3.32Å; T27-V29 PolarHBondContact O-N 2.91Å; T27-C30 WeakPolarHBondContact O-CB 3.29Å; T27-C30 PolarHBondContact O-N 2.81Å; T27-E31 PolarHBondContact O-N 3.35Å; T27-R37 PolarHBondContact OG1-NH1 3.17Å
28	L	93	Very high	89.5	Confident	38 Å²	38	57.9 Å²	57.9	20%	0.199	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-31.6	179.1	-69.2	170	0	0	0	112.2	I14 L16 K24 L25 L26 K32	I14-L28 HydrophobicContact CD1-CB 4.45Å; I14-L28 HydrophobicContact CG2-CB 3.55Å; I14-L28 HydrophobicContact CG2-CD1 3.65Å; I14-L28 HydrophobicContact CG2-CG 4.2Å; L16-L28 HydrophobicContact CB-CD1 4.17Å; L16-L28 HydrophobicContact CD1-CD1 4.33Å; K24-L28 WeakPolarHBondContact O-CG 3.25Å; K24-L28 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 2.98Å; L26-L28 PolarHBondContact O-N 2.57Å; L28-K32 VanDerWaalsContact O-CB 3.25Å; L28-K32 WeakPolarHBondContact O-CB 3.11Å; L28-K32 VanDerWaalsContact O-CG 3.23Å; L28-K32 WeakPolarHBondContact O-CG 3.34Å; L28-K32 PolarHBondContact O-N 2.69Å
29	V	93.5	Very high	89	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-47.3	170.9	171.6	0	0	0	0	110.1	V5 I14 L25 L26 T27 E31 K32 F33 I35 W41 L43 L74	V5-V29 HydrophobicContact CG2-CG2 4.11Å; I14-V29 HydrophobicContact CD1-CB 4.11Å; I14-V29 HydrophobicContact CD1-CG2 3.24Å; L25-V29 HydrophobicContact CD1-CG2 4.34Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.14Å; L26-V29 WeakPolarHBondContact O-CB 3Å; L26-V29 PolarHBondContact O-N 3.09Å; T27-V29 VanDerWaalsContact C-N 3.32Å; T27-V29 PolarHBondContact O-N 2.91Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-E31 PolarHBondContact O-N 3.18Å; V29-K32 PolarHBondContact O-N 2.72Å; V29-F33 HydrophobicContact CG1-CD2 3.91Å; V29-F33 HydrophobicContact CG1-CE2 4.43Å; V29-F33 WeakPolarHBondContact O-CB 3.27Å; V29-F33 WeakPolarHBondContact O-CD2 3.44Å; V29-F33 PolarHBondContact O-N 3.28Å; V29-I35 HydrophobicContact CG1-CD1 4.12Å; V29-W41 HydrophobicContact CG1-CH2 4.21Å; V29-W41 HydrophobicContact CG1-CZ3 4.21Å; V29-L43 HydrophobicContact CG1-CD2 4.43Å; V29-L43 HydrophobicContact CG2-CD1 4.17Å; V29-L43 HydrophobicContact CG2-CD2 4.39Å; V29-L74 HydrophobicContact CG1-CD1 3.93Å
30	C	91.8	Very high	88.7	Confident	16 Å²	16	57.5 Å²	57.5	11%	0.108	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-50.4	176.3	-66.4	0	0	0	0	111.9	L26 T27 D34 I35 W41	L26-C30 PolarHBondContact O-N 2.91Å; L26-C30 PolarHBondContact O-SG 3.44Å; T27-C30 WeakPolarHBondContact O-CB 3.29Å; T27-C30 PolarHBondContact O-N 2.81Å; C30-D34 WeakPolarHBondContact O-CA 3.28Å; C30-D34 PolarHBondContact O-N 2.94Å; C30-I35 HydrophobicContact CB-CG1 4.43Å; C30-I35 VanDerWaalsContact CB-O 3.3Å; C30-I35 WeakPolarHBondContact CB-O 3.48Å; C30-I35 PolarHBondContact O-N 2.99Å; C30-I35 VanDerWaalsContact O-N 3.1Å; C30-W41 WeakPolarHBondContact SG-CZ2 3.48Å
31	E	89.9	Confident	88.6	Confident	129 Å²	129	57.6 Å²	57.6	60%	0.603	31%	0.306	S	S	*	.	H	α-helix	trans	-63.8	-44.1	179.9	-172.5	-170.9	165.1	0	0	111.7	T27 V29	T27-E31 PolarHBondContact O-N 3.35Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-E31 PolarHBondContact O-N 3.18Å
32	K	92	Very high	88.5	Confident	98 Å²	98	56.2 Å²	56.2	43%	0.426	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-35.3	-178.6	-73	-66.7	-178.7	-168.8	0	112.2	K12 I14 L28 V29	K12-K32 HydrophobicContact CD-CB 4.07Å; K12-K32 WeakPolarHBondContact CD-O 3.33Å; K12-K32 VanDerWaalsContact CE-O 3.25Å; K12-K32 WeakPolarHBondContact CE-O 3.09Å; K12-K32 PolarHBondContact NZ-O 3.43Å; I14-K32 HydrophobicContact CG1-CG 4.4Å; L28-K32 VanDerWaalsContact O-CB 3.25Å; L28-K32 WeakPolarHBondContact O-CB 3.11Å; L28-K32 VanDerWaalsContact O-CG 3.23Å; L28-K32 WeakPolarHBondContact O-CG 3.34Å; L28-K32 PolarHBondContact O-N 2.69Å; V29-K32 PolarHBondContact O-N 2.72Å
33	F	91.4	Very high	88.5	Confident	11 Å²	11	55.7 Å²	55.7	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-97.7	2.6	-177.1	-72.6	-84	0	0	0	114.4	V5 S7 K12 V29 I35 L74	V5-F33 HydrophobicContact CB-CE2 3.74Å; V5-F33 HydrophobicContact CB-CZ 3.98Å; V5-F33 HydrophobicContact CG1-CE2 3.65Å; V5-F33 HydrophobicContact CG1-CZ 3.93Å; V5-F33 WeakPolarHBondContact O-CZ 3.45Å; S7-F33 WeakPolarHBondContact OG-CD1 3.32Å; S7-F33 WeakPolarHBondContact OG-CE1 3.42Å; K12-F33 HydrophobicContact CB-CE1 4.11Å; K12-F33 HydrophobicContact CB-CE2 3.87Å; K12-F33 HydrophobicContact CB-CZ 3.52Å; K12-F33 HydrophobicContact CD-CD1 4.03Å; K12-F33 HydrophobicContact CD-CD2 4.48Å; K12-F33 HydrophobicContact CD-CE1 3.88Å; K12-F33 HydrophobicContact CD-CE2 4.36Å; K12-F33 HydrophobicContact CD-CG 4.32Å; K12-F33 HydrophobicContact CD-CZ 4.07Å; K12-F33 HydrophobicContact CG-CD1 4.39Å; K12-F33 HydrophobicContact CG-CE1 3.72Å; K12-F33 HydrophobicContact CG-CE2 4.3Å; K12-F33 HydrophobicContact CG-CZ 3.69Å; V29-F33 HydrophobicContact CG1-CD2 3.91Å; V29-F33 HydrophobicContact CG1-CE2 4.43Å; V29-F33 WeakPolarHBondContact O-CB 3.27Å; V29-F33 WeakPolarHBondContact O-CD2 3.44Å; V29-F33 PolarHBondContact O-N 3.28Å; F33-I35 HydrophobicContact CB-CD1 4.22Å; F33-I35 HydrophobicContact CB-CG1 4.17Å; F33-I35 HydrophobicContact CB-CG2 4.11Å; F33-I35 PolarHBondContact O-N 2.85Å; F33-L74 HydrophobicContact CG-CD2 4.33Å
34	D	86.9	Confident	88.6	Confident	145 Å²	145	53.2 Å²	53.2	78%	0.775	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	40.9	-175.1	-58.1	-57.5	0	0	0	112.2	C30	C30-D34 WeakPolarHBondContact O-CA 3.28Å; C30-D34 PolarHBondContact O-N 2.94Å
35	I	88.3	Confident	88.6	Confident	48 Å²	48	52.4 Å²	52.4	25%	0.246	28%	0.275	C	S	.	.			trans	-110.3	145.2	179.2	62.7	-180	0	0	0	111.1	V29 C30 F33 W41 L74	V29-I35 HydrophobicContact CG1-CD1 4.12Å; C30-I35 HydrophobicContact CB-CG1 4.43Å; C30-I35 VanDerWaalsContact CB-O 3.3Å; C30-I35 WeakPolarHBondContact CB-O 3.48Å; C30-I35 PolarHBondContact O-N 2.99Å; C30-I35 VanDerWaalsContact O-N 3.1Å; F33-I35 HydrophobicContact CB-CD1 4.22Å; F33-I35 HydrophobicContact CB-CG1 4.17Å; F33-I35 HydrophobicContact CB-CG2 4.11Å; F33-I35 PolarHBondContact O-N 2.85Å; I35-W41 HydrophobicContact CD1-CD2 4.01Å; I35-W41 HydrophobicContact CD1-CG 4.38Å; I35-W41 HydrophobicContact CD1-CH2 4.49Å; I35-W41 HydrophobicContact CD1-CZ2 4.03Å; I35-L74 HydrophobicContact CD1-CD1 3.84Å; I35-L74 HydrophobicContact CD1-CD2 3.66Å; I35-L74 HydrophobicContact CD1-CG 4.37Å
36	A	83.4	Confident	88.3	Confident	75 Å²	75	53.4 Å²	53.4	62%	0.62	28%	0.282	S	S	*	.			trans	-69.3	146.3	175.6	0	0	0	0	0	111.3	S38 W41	A36-S38 PolarHBondContact O-N 3.25Å; A36-S38 PolarHBondContact O-OG 2.79Å; A36-W41 PolarHBondContact O-NE1 2.99Å
37	R	82.9	Confident	87.9	Confident	118 Å²	118	54.7 Å²	54.7	45%	0.445	29%	0.288	S	S	.	.	S	Bend	trans	-73	98.4	169.7	-162.1	-174.9	-162.2	97	0.3	108.2	D23 T27	D23-R37 PolarHBondContact O-NH2 3Å; D23-R37 IonicContact OD1-CZ 2.75Å; D23-R37 IonicContact OD1-NH2 3.61Å; D23-R37 PolarHBondContact OD1-NH2 3.44Å; D23-R37 IonicContact OD2-NH2 3.85Å; D23-R37 PolarHBondContact OD2-NH2 3.05Å; T27-R37 PolarHBondContact OG1-NH1 3.17Å
38	S	78.9	Confident	87.3	Confident	51 Å²	51	54.1 Å²	54.1	36%	0.357	29%	0.286	S	S	.	.	S	Bend	trans	-142.4	161.4	-177.6	57.8	0	0	0	0	110.6	A36 S40	A36-S38 PolarHBondContact O-N 3.25Å; A36-S38 PolarHBondContact O-OG 2.79Å; S38-S40 PolarHBondContact O-N 2.75Å; S38-S40 VanDerWaalsContact O-N 3.15Å; S38-S40 PolarHBondContact OG-OG 2.87Å
39	D	75.1	Confident	86.7	Confident	131 Å²	131	55.9 Å²	55.9	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	7.5	171.7	-90.8	-44.7	0	0	0	113.4	W41 R77	D39-W41 VanDerWaalsContact C-N 3.33Å; D39-R77 VanDerWaalsContact CB-NH1 3.32Å; D39-R77 VanDerWaalsContact CG-NH1 3.35Å; D39-R77 WeakPolarHBondContact O-CD 3.38Å; D39-R77 PolarHBondContact O-NH1 3Å; D39-R77 IonicContact OD1-CZ 2.8Å; D39-R77 IonicContact OD1-NH1 3.81Å; D39-R77 PolarHBondContact OD1-NH1 3.25Å
40	S	78.7	Confident	85.7	Confident	52 Å²	52	60.5 Å²	60.5	36%	0.364	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.2	-177.9	64.6	0	0	0	0	113.5	S38 D76 R77	S38-S40 PolarHBondContact O-N 2.75Å; S38-S40 VanDerWaalsContact O-N 3.15Å; S38-S40 PolarHBondContact OG-OG 2.87Å; S40-D76 CarbonylContact O-C 3.52Å; S40-D76 WeakPolarHBondContact O-CA 3.47Å; S40-R77 PolarHBondContact O-N 3.48Å
41	W	89.7	Confident	85.3	Confident	29 Å²	29	64.6 Å²	64.6	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	166.1	179.5	58.9	-93.1	0	0	0	111.6	L26 V29 C30 I35 A36 D39 L43 L74 L75	L26-W41 HydrophobicContact CB-CH2 4.26Å; L26-W41 HydrophobicContact CD2-CH2 3.62Å; L26-W41 HydrophobicContact CD2-CZ3 3.58Å; L26-W41 HydrophobicContact CG-CH2 4.5Å; V29-W41 HydrophobicContact CG1-CH2 4.21Å; V29-W41 HydrophobicContact CG1-CZ3 4.21Å; C30-W41 WeakPolarHBondContact SG-CZ2 3.48Å; I35-W41 HydrophobicContact CD1-CD2 4.01Å; I35-W41 HydrophobicContact CD1-CG 4.38Å; I35-W41 HydrophobicContact CD1-CH2 4.49Å; I35-W41 HydrophobicContact CD1-CZ2 4.03Å; A36-W41 PolarHBondContact O-NE1 2.99Å; D39-W41 VanDerWaalsContact C-N 3.33Å; W41-L43 HydrophobicContact CZ3-CG 4.3Å; W41-L74 HydrophobicContact CB-CD1 4.46Å; W41-L74 HydrophobicContact CD2-CD1 3.81Å; W41-L74 HydrophobicContact CE3-CD1 3.25Å; W41-L74 HydrophobicContact CG-CD1 4.33Å; W41-L74 HydrophobicContact CZ3-CD1 3.74Å; W41-L75 CarbonylContact C-O 3.4Å; W41-L75 WeakPolarHBondContact CA-O 3.06Å; W41-L75 WeakPolarHBondContact CB-O 2.9Å
42	C	90.3	Very high	85.1	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.027	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.8	173.4	62.1	0	0	0	0	112.1	L49 R52 L75	C42-L49 VanDerWaalsContact SG-CD2 3.56Å; C42-R52 HydrophobicContact CB-CG 4.12Å; C42-R52 VanDerWaalsContact CB-NE 3.3Å; C42-L75 PolarHBondContact N-O 3.34Å; C42-L75 PolarHBondContact O-N 3.3Å
43	L	92.5	Very high	84.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.2	169.7	-63.2	172.7	0	0	0	110.2	V5 Y22 L25 L26 V29 W41 L53 L72 F73 L74	V5-L43 HydrophobicContact CG1-CD2 3.85Å; Y22-L43 HydrophobicContact CE2-CD1 4.28Å; L25-L43 HydrophobicContact CD2-CD1 4.15Å; L25-L43 HydrophobicContact CG-CD1 4.28Å; L26-L43 HydrophobicContact CD2-CD1 3.79Å; L26-L43 HydrophobicContact CD2-CG 4.24Å; V29-L43 HydrophobicContact CG1-CD2 4.43Å; V29-L43 HydrophobicContact CG2-CD1 4.17Å; V29-L43 HydrophobicContact CG2-CD2 4.39Å; W41-L43 HydrophobicContact CZ3-CG 4.3Å; L43-L53 HydrophobicContact CB-CD1 4.02Å; L43-L53 HydrophobicContact CB-CG 4.48Å; L43-L53 WeakPolarHBondContact O-CB 3.45Å; L43-L53 PolarHBondContact O-N 2.74Å; L43-L72 HydrophobicContact CD1-CD1 4.23Å; L43-F73 CarbonylContact C-O 3.58Å; L43-F73 WeakPolarHBondContact CA-O 3.3Å; L43-L74 HydrophobicContact CD2-CB 4.4Å; L43-L74 HydrophobicContact CD2-CD1 4.02Å
44	S	92.3	Very high	84.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.5	174.8	-175.3	0	0	0	0	110.9	S46 S48 E51 R52 L72 F73	S44-S46 VanDerWaalsContact C-N 3.28Å; S44-S46 VanDerWaalsContact CB-O 3.24Å; S44-S46 WeakPolarHBondContact CB-O 3.4Å; S44-S46 PolarHBondContact OG-N 3.37Å; S44-S46 PolarHBondContact OG-O 2.84Å; S44-S46 VanDerWaalsContact OG-O 3.05Å; S44-S48 PolarHBondContact OG-O 2.73Å; S44-E51 PolarHBondContact OG-O 3.18Å; S44-R52 PolarHBondContact OG-N 3.3Å; S44-L72 CarbonylContact O-C 3.57Å; S44-L72 WeakPolarHBondContact O-CA 3.28Å; S44-F73 PolarHBondContact N-O 3.18Å; S44-F73 PolarHBondContact O-N 3.25Å
45	R	91.1	Very high	84	Confident	77 Å²	77	57 Å²	57	29%	0.291	31%	0.313	S	S	.	.	S	Bend	trans	-80.5	-12.5	170.7	-63.1	-166.3	-175.3	96.8	-3.9	113	E51 L53 L64 L72 F73	R45-E51 HydrophobicContact CB-CB 4.05Å; R45-E51 WeakPolarHBondContact CB-OE2 3.36Å; R45-E51 PolarHBondContact N-O 2.81Å; R45-L53 HydrophobicContact CG-CD2 4.13Å; R45-L64 PolarHBondContact NH2-O 3.1Å; R45-L72 HydrophobicContact CG-CD2 3.98Å; R45-F73 WeakPolarHBondContact O-CE2 3.32Å
46	S	87.1	Confident	83.7	Confident	21 Å²	21	58 Å²	58	15%	0.147	33%	0.325	C	S	.	.	S	Bend	trans	-127.5	170.8	176.3	71.8	0	0	0	0	111.3	S44 S48 F73	S44-S46 VanDerWaalsContact C-N 3.28Å; S44-S46 VanDerWaalsContact CB-O 3.24Å; S44-S46 WeakPolarHBondContact CB-O 3.4Å; S44-S46 PolarHBondContact OG-N 3.37Å; S44-S46 PolarHBondContact OG-O 2.84Å; S44-S46 VanDerWaalsContact OG-O 3.05Å; S46-S48 PolarHBondContact O-N 2.8Å; S46-S48 PolarHBondContact OG-N 2.79Å; S46-S48 PolarHBondContact OG-O 2.64Å; S46-S48 VanDerWaalsContact OG-O 3.13Å; S46-S48 PolarHBondContact OG-OG 3.18Å; S46-F73 WeakPolarHBondContact O-CD2 3.36Å
47	H	85.2	Confident	83.7	Confident	46 Å²	46	58.4 Å²	58.4	21%	0.213	32%	0.316	C	S	.	.	S	Bend	trans	-70.4	-2.1	172.2	-69.1	-79.2	0	0	0	114.1	F73 E83 T84	H47-F73 AromaticContact CD2-CE1 3.74Å; H47-F73 AromaticContact CD2-CZ 3.71Å; H47-F73 AromaticContact CE1-CD1 3.26Å; H47-F73 WeakPolarHBondContact CE1-CD1 3.37Å; H47-F73 AromaticContact CE1-CE1 2.9Å; H47-F73 WeakPolarHBondContact CE1-CE1 3.3Å; H47-F73 AromaticContact CE1-CZ 3.68Å; H47-F73 AromaticContact CG-CE1 3.98Å; H47-F73 AromaticContact ND1-CD1 3.35Å; H47-F73 WeakPolarHBondContact ND1-CD1 3.25Å; H47-F73 AromaticContact ND1-CE1 3.47Å; H47-F73 WeakPolarHBondContact ND1-CE1 3.29Å; H47-F73 AromaticContact NE2-CD1 3.82Å; H47-F73 AromaticContact NE2-CE1 3.06Å; H47-F73 WeakPolarHBondContact NE2-CE1 3.48Å; H47-F73 AromaticContact NE2-CZ 3.32Å; H47-F73 VanDerWaalsContact NE2-CZ 3.32Å; H47-F73 WeakPolarHBondContact NE2-CZ 3.38Å; H47-E83 PolarHBondContact CD2-O 3.28Å; H47-E83 PolarHBondContact CE1-O 3.24Å; H47-E83 PolarHBondContact ND1-O 2.99Å; H47-E83 PolarHBondContact NE2-O 3.5Å; H47-T84 PolarHBondContact NE2-O 2.81Å
48	S	79.8	Confident	83.6	Confident	48 Å²	48	59.2 Å²	59.2	34%	0.336	33%	0.329	S	S	.	.	S	Bend	trans	-108.2	158.8	177	54.8	0	0	0	0	110.5	S44 S46 S50	S44-S48 PolarHBondContact OG-O 2.73Å; S46-S48 PolarHBondContact O-N 2.8Å; S46-S48 PolarHBondContact OG-N 2.79Å; S46-S48 PolarHBondContact OG-O 2.64Å; S46-S48 VanDerWaalsContact OG-O 3.13Å; S46-S48 PolarHBondContact OG-OG 3.18Å; S48-S50 PolarHBondContact O-N 2.94Å; S48-S50 PolarHBondContact OG-OG 2.88Å
49	L	79.7	Confident	84	Confident	75 Å²	75	58.1 Å²	58.1	39%	0.393	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-72	-4.7	173	-67.6	171.7	0	0	0	113.1	C42 R52 L75	C42-L49 VanDerWaalsContact SG-CD2 3.56Å; L49-R52 WeakPolarHBondContact O-CB 3.29Å; L49-R52 PolarHBondContact O-N 2.91Å; L49-L75 HydrophobicContact CD2-CB 4.29Å; L49-L75 HydrophobicContact CD2-CD1 4.1Å
50	S	73.5	Confident	84.5	Confident	97 Å²	97	59.7 Å²	59.7	68%	0.678	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-67.9	-33.5	-177.7	58.2	0	0	0	0	113.3	S48	S48-S50 PolarHBondContact O-N 2.94Å; S48-S50 PolarHBondContact OG-OG 2.88Å
51	E	83	Confident	84.9	Confident	101 Å²	101	57.2 Å²	57.2	47%	0.472	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-106.5	34.4	178.3	-59.7	-169.5	-175.4	0	0	112.9	S44 R45	S44-E51 PolarHBondContact OG-O 3.18Å; R45-E51 HydrophobicContact CB-CB 4.05Å; R45-E51 WeakPolarHBondContact CB-OE2 3.36Å; R45-E51 PolarHBondContact N-O 2.81Å
52	R	85.8	Confident	84.5	Confident	67 Å²	67	59.2 Å²	59.2	25%	0.253	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-60.6	138.2	178.5	179.6	178.1	169.1	-174.5	-6.2	111.8	C42 S44 L49 N54 R77	C42-R52 HydrophobicContact CB-CG 4.12Å; C42-R52 VanDerWaalsContact CB-NE 3.3Å; S44-R52 PolarHBondContact OG-N 3.3Å; L49-R52 WeakPolarHBondContact O-CB 3.29Å; L49-R52 PolarHBondContact O-N 2.91Å; R52-N54 VanDerWaalsContact CD-OD1 3.22Å; R52-N54 WeakPolarHBondContact CD-OD1 3.49Å; R52-N54 WeakPolarHBondContact CG-OD1 3.48Å; R52-N54 PolarHBondContact NE-OD1 2.89Å; R52-N54 PolarHBondContact O-N 2.8Å; R52-R77 VanDerWaalsContact NH1-NH2 3.14Å
53	L	86.4	Confident	84.3	Confident	4 Å²	4	66 Å²	66	2%	0.021	34%	0.343	C	S	.	.			trans	-71	92.8	167.1	-63	-176.2	0	0	0	110	Y22 L43 R45 L64 L66 L72	Y22-L53 HydrophobicContact CE2-CB 4.21Å; Y22-L53 HydrophobicContact CE2-CD1 4.08Å; Y22-L53 PolarHBondContact OH-O 3.4Å; L43-L53 HydrophobicContact CB-CD1 4.02Å; L43-L53 HydrophobicContact CB-CG 4.48Å; L43-L53 WeakPolarHBondContact O-CB 3.45Å; L43-L53 PolarHBondContact O-N 2.74Å; R45-L53 HydrophobicContact CG-CD2 4.13Å; L53-L64 HydrophobicContact CD2-CD2 4.33Å; L53-L66 HydrophobicContact CD1-CD1 4.38Å; L53-L72 HydrophobicContact CD1-CD1 3.69Å; L53-L72 HydrophobicContact CD1-CD2 3.9Å; L53-L72 HydrophobicContact CD1-CG 4.45Å; L53-L72 HydrophobicContact CG-CD2 4.48Å
54	N	79.2	Confident	83.9	Confident	124 Å²	124	66.7 Å²	66.7	66%	0.663	35%	0.347	S	S	*	.			trans	-96.7	91.8	171	-71.7	-29.2	0	0	0	109	R52	R52-N54 VanDerWaalsContact CD-OD1 3.22Å; R52-N54 WeakPolarHBondContact CD-OD1 3.49Å; R52-N54 WeakPolarHBondContact CG-OD1 3.48Å; R52-N54 PolarHBondContact NE-OD1 2.89Å; R52-N54 PolarHBondContact O-N 2.8Å
55	A	80.9	Confident	83.5	Confident	30 Å²	30	70.3 Å²	70.3	25%	0.248	37%	0.372	C	S	.	.			trans	-137.1	155.2	174.1	0	0	0	0	0	111.1	Y22 T59 L64	Y22-A55 HydrophobicContact CD1-CB 4.13Å; Y22-A55 HydrophobicContact CE1-CB 4.48Å; A55-T59 HydrophobicContact CB-CG2 4.05Å; A55-L64 HydrophobicContact CB-CD1 4.19Å; A55-L64 HydrophobicContact CB-CD2 3.48Å; A55-L64 VanDerWaalsContact CB-CD2 3.48Å; A55-L64 HydrophobicContact CB-CG 4.1Å
56	S	81.4	Confident	83.3	Confident	69 Å²	69	66.9 Å²	66.9	48%	0.483	36%	0.359	S	S	.	.			trans	-62.6	148	170.3	178.1	0	0	0	0	109.6	N58 T59	S56-N58 PolarHBondContact O-N 3.45Å; S56-N58 VanDerWaalsContact O-N 3.13Å; S56-T59 PolarHBondContact N-OG1 2.84Å; S56-T59 WeakPolarHBondContact O-CB 3.34Å; S56-T59 PolarHBondContact O-N 2.85Å; S56-T59 PolarHBondContact O-OG1 2.79Å; S56-T59 VanDerWaalsContact O-OG1 3.06Å
57	L	83.5	Confident	83.3	Confident	82 Å²	82	72.7 Å²	72.7	43%	0.429	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.2	176.9	-65.4	176.7	0	0	0	111.8	Y22 D23 L26 T59	Y22-L57 PolarHBondContact N-O 3.32Å; D23-L57 HydrophobicContact CB-CB 3.95Å; D23-L57 VanDerWaalsContact CB-O 3.27Å; D23-L57 WeakPolarHBondContact CB-O 3.23Å; D23-L57 PolarHBondContact N-O 2.92Å; L26-L57 HydrophobicContact CD1-CD2 3.7Å; L57-T59 VanDerWaalsContact C-N 3.3Å; L57-T59 PolarHBondContact O-N 2.77Å
58	N	82.2	Confident	83.5	Confident	136 Å²	136	76.5 Å²	76.5	73%	0.727	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.3	-179.7	-64.5	-18.5	0	0	0	114.1	S56 R60	S56-N58 PolarHBondContact O-N 3.45Å; S56-N58 VanDerWaalsContact O-N 3.13Å; N58-R60 PolarHBondContact O-N 2.95Å
59	T	87.1	Confident	83.9	Confident	28 Å²	28	75.3 Å²	75.3	17%	0.172	40%	0.395	C	S	.	.			trans	-67.3	127.2	178.8	-60.7	0	0	0	0	110.4	S21 Y22 A55 S56 L57 K63 L64	S21-T59 CarbonylContact C-O 3.59Å; S21-T59 WeakPolarHBondContact CA-O 3.37Å; Y22-T59 WeakPolarHBondContact CB-O 3.39Å; Y22-T59 PolarHBondContact N-O 3.11Å; A55-T59 HydrophobicContact CB-CG2 4.05Å; S56-T59 PolarHBondContact N-OG1 2.84Å; S56-T59 WeakPolarHBondContact O-CB 3.34Å; S56-T59 PolarHBondContact O-N 2.85Å; S56-T59 PolarHBondContact O-OG1 2.79Å; S56-T59 VanDerWaalsContact O-OG1 3.06Å; L57-T59 VanDerWaalsContact C-N 3.3Å; L57-T59 PolarHBondContact O-N 2.77Å; T59-K63 HydrophobicContact CG2-CB 3.94Å; T59-K63 HydrophobicContact CG2-CD 4.17Å; T59-K63 HydrophobicContact CG2-CG 4.21Å; T59-L64 HydrophobicContact CG2-CG 4.13Å
60	R	85.2	Confident	84.5	Confident	163 Å²	163	74.1 Å²	74.1	62%	0.615	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-65.9	144	173.8	-70.7	-175.6	174.3	174.6	-1.2	111.3	D20 N58 T62 K63 L64	D20-R60 WeakPolarHBondContact O-CA 3.3Å; N58-R60 PolarHBondContact O-N 2.95Å; R60-T62 PolarHBondContact O-N 3Å; R60-K63 WeakPolarHBondContact O-CB 3.4Å; R60-K63 PolarHBondContact O-N 3.43Å; R60-L64 PolarHBondContact O-N 3.38Å
61	L	86.3	Confident	85.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	-179.3	-60.4	167.6	0	0	0	112.7	M1 L16 D20 L25 K63 L64 C65 L66	M1-L61 HydrophobicContact CE-CB 4.25Å; M1-L61 HydrophobicContact CE-CD1 3.99Å; L16-L61 HydrophobicContact CD1-CD1 3.32Å; L16-L61 HydrophobicContact CG-CD1 3.71Å; D20-L61 HydrophobicContact CB-CD1 4.09Å; D20-L61 WeakPolarHBondContact O-CG 3.25Å; D20-L61 PolarHBondContact O-N 3.36Å; L25-L61 HydrophobicContact CB-CD2 3.94Å; L25-L61 HydrophobicContact CD2-CD2 3.77Å; L25-L61 HydrophobicContact CG-CD2 4.48Å; L61-K63 PolarHBondContact O-N 2.93Å; L61-L64 HydrophobicContact CD2-CD1 4.23Å; L61-L64 CarbonylContact O-C 3.46Å; L61-L64 WeakPolarHBondContact O-CA 3.35Å; L61-L64 WeakPolarHBondContact O-CB 3.5Å; L61-L64 PolarHBondContact O-N 2.68Å; L61-C65 PolarHBondContact O-N 2.87Å; L61-L66 HydrophobicContact CD2-CD1 3.88Å; L61-L66 PolarHBondContact O-N 2.9Å
62	T	83.1	Confident	86	Confident	72 Å²	72	67.4 Å²	67.4	44%	0.442	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.1	169.9	49.5	0	0	0	0	113	E18 R60 L64 C65	E18-T62 HydrophobicContact CB-CG2 3.79Å; E18-T62 WeakPolarHBondContact O-CG2 3.29Å; E18-T62 PolarHBondContact O-N 3.27Å; R60-T62 PolarHBondContact O-N 3Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-C65 PolarHBondContact O-N 2.89Å
63	K	84.5	Confident	86.5	Confident	145 Å²	145	65 Å²	65	63%	0.63	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.8	177.8	-169.5	172.2	-178.3	177.8	0	112.3	T59 R60 L61 C65	T59-K63 HydrophobicContact CG2-CB 3.94Å; T59-K63 HydrophobicContact CG2-CD 4.17Å; T59-K63 HydrophobicContact CG2-CG 4.21Å; R60-K63 WeakPolarHBondContact O-CB 3.4Å; R60-K63 PolarHBondContact O-N 3.43Å; L61-K63 PolarHBondContact O-N 2.93Å; K63-C65 PolarHBondContact O-N 3.32Å
64	L	84.9	Confident	86.8	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.079	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	5.1	170.9	-77.4	172	0	0	0	112.9	Y22 R45 L53 A55 T59 R60 L61 T62 L66	Y22-L64 HydrophobicContact CD2-CD1 3.42Å; Y22-L64 VanDerWaalsContact CD2-CD1 3.42Å; Y22-L64 HydrophobicContact CE2-CD1 4.12Å; Y22-L64 HydrophobicContact CG-CD1 3.73Å; R45-L64 PolarHBondContact NH2-O 3.1Å; L53-L64 HydrophobicContact CD2-CD2 4.33Å; A55-L64 HydrophobicContact CB-CD1 4.19Å; A55-L64 HydrophobicContact CB-CD2 3.48Å; A55-L64 VanDerWaalsContact CB-CD2 3.48Å; A55-L64 HydrophobicContact CB-CG 4.1Å; T59-L64 HydrophobicContact CG2-CG 4.13Å; R60-L64 PolarHBondContact O-N 3.38Å; L61-L64 HydrophobicContact CD2-CD1 4.23Å; L61-L64 CarbonylContact O-C 3.46Å; L61-L64 WeakPolarHBondContact O-CA 3.35Å; L61-L64 WeakPolarHBondContact O-CB 3.5Å; L61-L64 PolarHBondContact O-N 2.68Å; T62-L64 VanDerWaalsContact C-N 3.32Å; L64-L66 HydrophobicContact CB-CD1 4.13Å; L64-L66 HydrophobicContact CB-CG 4.02Å; L64-L66 HydrophobicContact CD1-CD1 4.36Å; L64-L66 PolarHBondContact O-N 2.88Å
65	C	84.8	Confident	87.3	Confident	77 Å²	77	60.8 Å²	60.8	52%	0.52	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	26.4	-178.1	-60.5	0	0	0	0	113.9	L61 T62 K63	L61-C65 PolarHBondContact O-N 2.87Å; T62-C65 PolarHBondContact O-N 2.89Å; K63-C65 PolarHBondContact O-N 3.32Å
66	L	86.9	Confident	87.5	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	32%	0.322	C	S	.	.			trans	-80.1	130.9	176.8	-66.8	173.3	0	0	0	109.4	M1 I3 L25 L53 L61 L64 D70 L72	M1-L66 HydrophobicContact CE-CB 4.32Å; M1-L66 HydrophobicContact SD-CB 4.46Å; M1-L66 VanDerWaalsContact SD-O 3.37Å; I3-L66 HydrophobicContact CD1-CB 4.1Å; L25-L66 HydrophobicContact CD2-CD1 3.91Å; L53-L66 HydrophobicContact CD1-CD1 4.38Å; L61-L66 HydrophobicContact CD2-CD1 3.88Å; L61-L66 PolarHBondContact O-N 2.9Å; L64-L66 HydrophobicContact CB-CD1 4.13Å; L64-L66 HydrophobicContact CB-CG 4.02Å; L64-L66 HydrophobicContact CD1-CD1 4.36Å; L64-L66 PolarHBondContact O-N 2.88Å; L66-D70 WeakPolarHBondContact CA-OD2 3.43Å; L66-L72 HydrophobicContact CD1-CD1 4.37Å; L66-L72 HydrophobicContact CD2-CD1 4.16Å; L66-L72 HydrophobicContact CD2-CD2 3.92Å; L66-L72 HydrophobicContact CD2-CG 4.39Å
67	K	86.7	Confident	86.9	Confident	143 Å²	143	63.8 Å²	63.8	62%	0.622	32%	0.316	S	S	*	.			trans	-116.7	163.7	-179	-62.5	-179.2	-176.5	177.7	0	111.3	I3 G69 D70	I3-K67 WeakPolarHBondContact CD1-O 3.44Å; K67-G69 PolarHBondContact O-N 3.05Å; K67-D70 PolarHBondContact N-OD2 2.77Å; K67-D70 WeakPolarHBondContact O-CB 3.29Å; K67-D70 PolarHBondContact O-N 2.92Å; K67-D70 VanDerWaalsContact O-N 3.17Å
68	H	89.5	Confident	85.5	Confident	125 Å²	125	65.6 Å²	65.6	58%	0.579	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	122.1	171.6	-177.4	102.5	0	0	0	110.9	M1 I2	M1-H68 HydrophobicContact CG-CB 4.05Å; I2-H68 PolarHBondContact N-ND1 3.44Å
69	G	87.1	Confident	83.6	Confident	23 Å²	23	67.3 Å²	67.3	24%	0.237	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-6.5	178.6	0	0	0	0	0	114.8	I2 R4 K67	I2-G69 PolarHBondContact O-N 2.81Å; R4-G69 VanDerWaalsContact CZ-O 3.23Å; R4-G69 PolarHBondContact NE-O 2.89Å; R4-G69 PolarHBondContact NH2-O 3.48Å; K67-G69 PolarHBondContact O-N 3.05Å
70	D	92.6	Very high	81.1	Confident	50 Å²	50	67 Å²	67	27%	0.267	33%	0.334	S	S	.	.			trans	-59	144.7	-179.2	-75.7	-1.4	0	0	0	112.3	I3 R4 L66 K67	I3-D70 HydrophobicContact CD1-CB 4.05Å; R4-D70 PolarHBondContact N-O 2.74Å; L66-D70 WeakPolarHBondContact CA-OD2 3.43Å; K67-D70 PolarHBondContact N-OD2 2.77Å; K67-D70 WeakPolarHBondContact O-CB 3.29Å; K67-D70 PolarHBondContact O-N 2.92Å; K67-D70 VanDerWaalsContact O-N 3.17Å
71	L	93.6	Very high	78.1	Confident	56 Å²	56	61.3 Å²	61.3	29%	0.293	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.2	176.1	-178.1	63.8	0	0	0	109.4	R4 Q6 F73	R4-L71 HydrophobicContact CB-CD1 3.74Å; R4-L71 CarbonylContact O-C 3.55Å; R4-L71 WeakPolarHBondContact O-CA 3.4Å; Q6-L71 HydrophobicContact CB-CD1 4.09Å; L71-F73 HydrophobicContact CD2-CE1 4.09Å; L71-F73 HydrophobicContact CD2-CE2 4.42Å; L71-F73 HydrophobicContact CD2-CZ 3.68Å; L71-F73 HydrophobicContact CG-CE1 4.38Å; L71-F73 HydrophobicContact CG-CE2 4.4Å; L71-F73 HydrophobicContact CG-CZ 4.04Å
72	L	95.2	Very high	75.3	Confident	1 Å²	1	64 Å²	64	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.5	173.3	-60.9	178.8	0	0	0	110.1	I3 R4 V5 Q6 L25 L43 S44 R45 L53 L66	I3-L72 HydrophobicContact CG2-CD1 3.78Å; I3-L72 HydrophobicContact CG2-CG 4.08Å; R4-L72 PolarHBondContact O-N 2.82Å; V5-L72 CarbonylContact C-O 3.56Å; V5-L72 VanDerWaalsContact CA-O 3.29Å; V5-L72 WeakPolarHBondContact CA-O 3.23Å; V5-L72 HydrophobicContact CG2-CB 4.43Å; Q6-L72 PolarHBondContact N-O 2.88Å; L25-L72 HydrophobicContact CD2-CD1 4.24Å; L43-L72 HydrophobicContact CD1-CD1 4.23Å; S44-L72 CarbonylContact O-C 3.57Å; S44-L72 WeakPolarHBondContact O-CA 3.28Å; R45-L72 HydrophobicContact CG-CD2 3.98Å; L53-L72 HydrophobicContact CD1-CD1 3.69Å; L53-L72 HydrophobicContact CD1-CD2 3.9Å; L53-L72 HydrophobicContact CD1-CG 4.45Å; L53-L72 HydrophobicContact CG-CD2 4.48Å; L66-L72 HydrophobicContact CD1-CD1 4.37Å; L66-L72 HydrophobicContact CD2-CD1 4.16Å; L66-L72 HydrophobicContact CD2-CD2 3.92Å; L66-L72 HydrophobicContact CD2-CG 4.39Å
73	F	94.7	Very high	72.5	Confident	17 Å²	17	63.7 Å²	63.7	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125	177.8	-59	-82.1	0	0	0	110	Q6 L43 S44 R45 S46 H47 L71 L75	Q6-F73 HydrophobicContact CB-CD1 3.93Å; Q6-F73 HydrophobicContact CB-CE1 4.16Å; Q6-F73 HydrophobicContact CG-CD1 4.23Å; Q6-F73 HydrophobicContact CG-CE1 4.35Å; Q6-F73 WeakPolarHBondContact O-CA 3.45Å; L43-F73 CarbonylContact C-O 3.58Å; L43-F73 WeakPolarHBondContact CA-O 3.3Å; S44-F73 PolarHBondContact N-O 3.18Å; S44-F73 PolarHBondContact O-N 3.25Å; R45-F73 WeakPolarHBondContact O-CE2 3.32Å; S46-F73 WeakPolarHBondContact O-CD2 3.36Å; H47-F73 AromaticContact CD2-CE1 3.74Å; H47-F73 AromaticContact CD2-CZ 3.71Å; H47-F73 AromaticContact CE1-CD1 3.26Å; H47-F73 WeakPolarHBondContact CE1-CD1 3.37Å; H47-F73 AromaticContact CE1-CE1 2.9Å; H47-F73 WeakPolarHBondContact CE1-CE1 3.3Å; H47-F73 AromaticContact CE1-CZ 3.68Å; H47-F73 AromaticContact CG-CE1 3.98Å; H47-F73 AromaticContact ND1-CD1 3.35Å; H47-F73 WeakPolarHBondContact ND1-CD1 3.25Å; H47-F73 AromaticContact ND1-CE1 3.47Å; H47-F73 WeakPolarHBondContact ND1-CE1 3.29Å; H47-F73 AromaticContact NE2-CD1 3.82Å; H47-F73 AromaticContact NE2-CE1 3.06Å; H47-F73 WeakPolarHBondContact NE2-CE1 3.48Å; H47-F73 AromaticContact NE2-CZ 3.32Å; H47-F73 VanDerWaalsContact NE2-CZ 3.32Å; H47-F73 WeakPolarHBondContact NE2-CZ 3.38Å; L71-F73 HydrophobicContact CD2-CE1 4.09Å; L71-F73 HydrophobicContact CD2-CE2 4.42Å; L71-F73 HydrophobicContact CD2-CZ 3.68Å; L71-F73 HydrophobicContact CG-CE1 4.38Å; L71-F73 HydrophobicContact CG-CE2 4.4Å; L71-F73 HydrophobicContact CG-CZ 4.04Å; F73-L75 HydrophobicContact CB-CD2 4.05Å; F73-L75 HydrophobicContact CB-CG 4.19Å; F73-L75 PolarHBondContact O-N 3.28Å
74	L	93.2	Very high	69.6	Low	19 Å²	19	61.2 Å²	61.2	10%	0.099	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	103.8	170.9	-177.5	75.3	0	0	0	108.3	V5 Q6 V29 F33 I35 W41 L43	V5-L74 HydrophobicContact CG1-CB 4.08Å; Q6-L74 PolarHBondContact O-N 2.77Å; V29-L74 HydrophobicContact CG1-CD1 3.93Å; F33-L74 HydrophobicContact CG-CD2 4.33Å; I35-L74 HydrophobicContact CD1-CD1 3.84Å; I35-L74 HydrophobicContact CD1-CD2 3.66Å; I35-L74 HydrophobicContact CD1-CG 4.37Å; W41-L74 HydrophobicContact CB-CD1 4.46Å; W41-L74 HydrophobicContact CD2-CD1 3.81Å; W41-L74 HydrophobicContact CE3-CD1 3.25Å; W41-L74 HydrophobicContact CG-CD1 4.33Å; W41-L74 HydrophobicContact CZ3-CD1 3.74Å; L43-L74 HydrophobicContact CD2-CB 4.4Å; L43-L74 HydrophobicContact CD2-CD1 4.02Å
75	L	90.8	Very high	66.7	Low	21 Å²	21	64.7 Å²	64.7	11%	0.11	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.3	-177.5	-56.8	179.7	0	0	0	110	W41 C42 L49 F73	W41-L75 CarbonylContact C-O 3.4Å; W41-L75 WeakPolarHBondContact CA-O 3.06Å; W41-L75 WeakPolarHBondContact CB-O 2.9Å; C42-L75 PolarHBondContact N-O 3.34Å; C42-L75 PolarHBondContact O-N 3.3Å; L49-L75 HydrophobicContact CD2-CB 4.29Å; L49-L75 HydrophobicContact CD2-CD1 4.1Å; F73-L75 HydrophobicContact CB-CD2 4.05Å; F73-L75 HydrophobicContact CB-CG 4.19Å; F73-L75 PolarHBondContact O-N 3.28Å
76	D	83.6	Confident	63.6	Low	66 Å²	66	65.3 Å²	65.3	35%	0.353	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.9	169	-172.3	-22.1	0	0	0	108.6	S40 V78 K79 G80	S40-D76 CarbonylContact O-C 3.52Å; S40-D76 WeakPolarHBondContact O-CA 3.47Å; D76-V78 PolarHBondContact O-N 2.88Å; D76-V78 WeakPolarHBondContact OD1-CB 3.26Å; D76-V78 PolarHBondContact OD1-N 2.96Å; D76-K79 HydrophobicContact CB-CB 4.14Å; D76-K79 CarbonylContact O-C 3.56Å; D76-K79 PolarHBondContact O-N 3.36Å; D76-G80 VanDerWaalsContact O-CA 3.27Å; D76-G80 WeakPolarHBondContact O-CA 3.35Å; D76-G80 PolarHBondContact O-N 3.45Å
77	R	69.7	Low	60.5	Low	96 Å²	96	72.1 Å²	72.1	36%	0.362	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.5	177.1	-86.7	168.6	144.7	177.9	-6.1	111.9	D39 S40 R52	D39-R77 VanDerWaalsContact CB-NH1 3.32Å; D39-R77 VanDerWaalsContact CG-NH1 3.35Å; D39-R77 WeakPolarHBondContact O-CD 3.38Å; D39-R77 PolarHBondContact O-NH1 3Å; D39-R77 IonicContact OD1-CZ 2.8Å; D39-R77 IonicContact OD1-NH1 3.81Å; D39-R77 PolarHBondContact OD1-NH1 3.25Å; S40-R77 PolarHBondContact O-N 3.48Å; R52-R77 VanDerWaalsContact NH1-NH2 3.14Å
78	V	53.2	Low	57.4	Low	120 Å²	120	75.1 Å²	75.1	73%	0.727	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-19.1	178.8	-169.1	0	0	0	0	111.5	D76	D76-V78 PolarHBondContact O-N 2.88Å; D76-V78 WeakPolarHBondContact OD1-CB 3.26Å; D76-V78 PolarHBondContact OD1-N 2.96Å
79	K	42.8	Very low	54	Low	171 Å²	171	79.4 Å²	79.4	74%	0.743	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.5	13.8	-173.3	-66.3	-174.6	175.8	179.2	0	115.7	D76 G81	D76-K79 HydrophobicContact CB-CB 4.14Å; D76-K79 CarbonylContact O-C 3.56Å; D76-K79 PolarHBondContact O-N 3.36Å; K79-G81 PolarHBondContact O-N 3.35Å
80	G	33.8	Very low	51	Low	23 Å²	23	86.7 Å²	86.7	24%	0.237	47%	0.467	C	S	.	.			trans	-81.9	69.5	-173	0	0	0	0	0	115.1	D76	D76-G80 VanDerWaalsContact O-CA 3.27Å; D76-G80 WeakPolarHBondContact O-CA 3.35Å; D76-G80 PolarHBondContact O-N 3.45Å
81	G	23.9	Very low	47.5	Very low	43 Å²	43	92.2 Å²	92.2	44%	0.443	49%	0.491	S	S	.	.			trans	-126.3	105.5	156.6	0	0	0	0	0	110.5	K79 P196	K79-G81 PolarHBondContact O-N 3.35Å; G81-P196 WeakPolarHBondContact O-CB 3.5Å
82	S	27.3	Very low	44.1	Very low	55 Å²	55	95.9 Å²	95.9	39%	0.385	51%	0.511	S	S	.	.			trans	70.9	128.2	158	-171.4	0	0	0	0	121.1	P196	S82-P196 WeakPolarHBondContact CB-O 3.41Å; S82-P196 PolarHBondContact OG-O 3.03Å
83	E	24.3	Very low	40.5	Very low	67 Å²	67	102.6 Å²	102.6	31%	0.313	55%	0.547	S	S	.	.			trans	-162.5	100.7	138.2	-85.2	-154	147.4	0	0	112.2	H47 R199	H47-E83 PolarHBondContact CD2-O 3.28Å; H47-E83 PolarHBondContact CE1-O 3.24Å; H47-E83 PolarHBondContact ND1-O 2.99Å; H47-E83 PolarHBondContact NE2-O 3.5Å; E83-R199 IonicContact OE1-CZ 3.82Å; E83-R199 IonicContact OE1-NE 3.98Å; E83-R199 PolarHBondContact OE1-NE 3.48Å; E83-R199 IonicContact OE1-NH2 2.81Å; E83-R199 PolarHBondContact OE1-NH2 3.29Å; E83-R199 IonicContact OE2-CZ 3.97Å; E83-R199 IonicContact OE2-NE 3.27Å; E83-R199 IonicContact OE2-NH2 3.57Å; E83-R199 PolarHBondContact OE2-NH2 2.93Å
84	T	22.2	Very low	37.1	Very low	92 Å²	92	105.9 Å²	105.9	56%	0.564	57%	0.572	S	S	*	*			trans	40.1	132.4	139.3	54.7	0	0	0	0	124.5	H47	H47-T84 PolarHBondContact NE2-O 2.81Å
85	A	24.6	Very low	33.7	Very low	88 Å²	88	110.1 Å²	110.1	73%	0.727	60%	0.603	S	S	*	*				166.7	127.7	97.9	0	0	0	0	0	116.1
86	A	21.2	Very low	30.7	Very low	90 Å²	90	114.5 Å²	114.5	74%	0.744	64%	0.635	S	S	*	*			trans	59.2	116.1	136.7	0	0	0	0	0	123.2
87	D	20.3	Very low	27.9	Very low	148 Å²	148	120.1 Å²	120.1	79%	0.791	66%	0.66	S	S	*	*			trans	37.4	119.3	130.7	-65.2	-34.6	0	0	0	120.6
88	K	21.5	Very low	25.6	Very low	207 Å²	207	122.7 Å²	122.7	90%	0.9	68%	0.679	S	S	*	*				-165.3	122.2	120.6	-104.9	169.6	-169.6	-173.5	0	112.9
89	Y	19	Very low	24.4	Very low	214 Å²	214	125.1 Å²	125.1	84%	0.839	69%	0.688	S	S	*	*			trans	-57.2	138.9	159	-82.2	-102.7	0	0	0	112
90	Q	23.1	Very low	23.6	Very low	177 Å²	177	121.6 Å²	121.6	83%	0.827	69%	0.685	S	S	*	*			trans	170.4	107.6	135.6	-93.9	168.7	19.7	0	0	107.8
91	Q	19.9	Very low	23.2	Very low	166 Å²	166	127.5 Å²	127.5	78%	0.776	71%	0.711	S	S	*	*				72.8	125.2	92.2	-92.4	-172.2	-9.2	0	0	115.1
92	N	21.4	Very low	23.3	Very low	132 Å²	132	133 Å²	133	71%	0.706	73%	0.73	S	S	*	*			trans	87.1	103.4	144	-68.7	3.5	0	0	0	119.9
93	D	21	Very low	23.3	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	76%	0.759	S	S	*	*				93.4	142.3	102.6	-148	1.5	0	0	0	118.8
94	S	23.1	Very low	23.6	Very low	86 Å²	86	143.6 Å²	143.6	60%	0.601	77%	0.772	S	S	*	*			trans	81.6	95	156.1	-63.7	0	0	0	0	119.4
95	S	21.1	Very low	24.1	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	79%	0.789	S	S	*	*				23.9	118	121.4	57.2	0	0	0	0	118.9
96	S	27.5	Very low	24.5	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	78%	0.782	S	S	*	*				-172.9	123.9	128.9	18.8	0	0	0	0	113.2
97	Q	24.5	Very low	25.3	Very low	184 Å²	184	144.8 Å²	144.8	86%	0.86	78%	0.775	S	S	*	*			trans	50.4	108.7	137	-66.6	-178.1	-29.6	0	0	121.7
98	I	23	Very low	26.8	Very low	150 Å²	150	143 Å²	143	77%	0.769	77%	0.772	S	S	*	*				17.7	116.5	129.5	-51.6	172.6	0	0	0	116.5
99	N	27.2	Very low	28.9	Very low	171 Å²	171	137.7 Å²	137.7	91%	0.914	76%	0.759	S	S	*	*			trans	-146.7	121.4	139.3	-122.2	-7.1	0	0	0	111.1
100	S	25.3	Very low	32.1	Very low	97 Å²	97	132.4 Å²	132.4	68%	0.678	75%	0.748	S	S	*	*			trans	-75	153.7	174.4	-57.4	0	0	0	0	110.5
101	N	25.1	Very low	35.3	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	72%	0.717	S	S	*	*			trans	82.2	82.5	178	-59.2	-9.3	0	0	0	115.8
102	N	27.3	Very low	38.7	Very low	158 Å²	158	119.8 Å²	119.8	85%	0.845	69%	0.691	S	S	*	*			trans	-162.5	97.9	137.4	-96.6	-22.8	0	0	0	110	S104	N102-S104 VanDerWaalsContact C-N 3.28Å; N102-S104 PolarHBondContact O-N 3.37Å
103	R	26.2	Very low	42.1	Very low	261 Å²	261	119.1 Å²	119.1	99%	0.985	68%	0.678	S	S	*	*			trans	-71.3	89.9	159.5	-97.1	-177.4	-179.2	-163.9	0.8	107.2
104	S	32.1	Very low	45.6	Very low	83 Å²	83	112.4 Å²	112.4	58%	0.58	64%	0.642	S	S	*	*			trans	-140.3	112.4	158.6	-84.7	0	0	0	0	107.7	N102 C106	N102-S104 VanDerWaalsContact C-N 3.28Å; N102-S104 PolarHBondContact O-N 3.37Å; S104-C106 PolarHBondContact O-N 2.92Å; S104-C106 VanDerWaalsContact O-N 3.16Å
105	T	30.7	Very low	49.1	Very low	152 Å²	152	108.5 Å²	108.5	93%	0.933	62%	0.615	S	S	*	*			trans	-67.2	96.9	-175.3	31.5	0	0	0	0	111.6
106	C	33.4	Very low	52.6	Low	85 Å²	85	106.8 Å²	106.8	57%	0.574	60%	0.595	S	S	*	*			trans	-154.2	50.9	150.9	-156.3	0	0	0	0	108.8	S104	S104-C106 PolarHBondContact O-N 2.92Å; S104-C106 VanDerWaalsContact O-N 3.16Å
107	G	37.7	Very low	55.7	Low	59 Å²	59	104.7 Å²	104.7	61%	0.608	57%	0.573	S	S	*	*	S	Bend	trans	-91.9	162.8	164.8	0	0	0	0	0	110
108	P	53.3	Low	58.9	Low	111 Å²	111	96 Å²	96	72%	0.721	53%	0.532	S	S	*	.	S	Bend	trans	-52.6	149	167.7	23.5	-32	0	0	0	110.1	V110	P108-V110 PolarHBondContact O-N 3.21Å
109	P	64.5	Low	62.1	Low	95 Å²	95	90.8 Å²	90.8	62%	0.617	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-50.8	125.4	178.6	20.1	-31	0	0	0	109.9	I366	P109-I366 HydrophobicContact CB-CD1 3.75Å; P109-I366 HydrophobicContact CB-CG1 4.13Å; P109-I366 HydrophobicContact CB-CG2 4.16Å
110	V	85.8	Confident	65.2	Low	102 Å²	102	90.8 Å²	90.8	62%	0.618	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-90.7	126.7	-174.4	178.6	0	0	0	0	108.3	P108 Q116 I366	P108-V110 PolarHBondContact O-N 3.21Å; V110-Q116 VanDerWaalsContact CG1-NE2 3.27Å; V110-I366 VanDerWaalsContact O-CD1 3.24Å; V110-I366 WeakPolarHBondContact O-CD1 3.2Å
111	E	90.3	Very high	68.5	Low	38 Å²	38	88.9 Å²	88.9	18%	0.178	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-54.6	150.6	174.5	-65.9	-179.4	157.6	0	0	111	D115 Q116 I366 R368	E111-D115 HydrophobicContact CB-CB 4.26Å; E111-Q116 HydrophobicContact CB-CG 4.35Å; E111-Q116 PolarHBondContact O-NE2 2.92Å; E111-I366 HydrophobicContact CG-CG2 3.93Å; E111-R368 WeakPolarHBondContact OE1-CB 3.49Å; E111-R368 VanDerWaalsContact OE1-CG 3.28Å; E111-R368 WeakPolarHBondContact OE1-CG 3.5Å; E111-R368 PolarHBondContact OE1-N 3.08Å
112	D	92.4	Very high	71.5	Confident	41 Å²	41	86 Å²	86	22%	0.219	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-60.4	152.2	-179.3	-70.6	-20.8	0	0	0	110.9	V114 D115 Q116 K378	D112-V114 HydrophobicContact CB-CG1 4.19Å; D112-V114 PolarHBondContact O-N 3.32Å; D112-V114 VanDerWaalsContact O-N 3.15Å; D112-D115 WeakPolarHBondContact CB-OD2 3.27Å; D112-D115 WeakPolarHBondContact O-CB 3.35Å; D112-D115 PolarHBondContact O-N 2.98Å; D112-Q116 PolarHBondContact O-N 3.02Å; D112-K378 WeakPolarHBondContact OD2-CE 3.48Å; D112-K378 IonicContact OD2-NZ 3.19Å; D112-K378 PolarHBondContact OD2-NZ 2.98Å
113	R	92.4	Very high	74.5	Confident	117 Å²	117	79.4 Å²	79.4	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-51	-42.8	179.6	179.3	-178.7	167.4	-177.2	-5	112.2	D115 Q116 E117	R113-D115 VanDerWaalsContact C-N 3.32Å; R113-D115 PolarHBondContact O-N 2.84Å; R113-Q116 PolarHBondContact O-N 2.73Å; R113-E117 IonicContact CZ-OE1 2.69Å; R113-E117 IonicContact NE-OE1 3.38Å; R113-E117 PolarHBondContact NE-OE1 2.73Å; R113-E117 IonicContact NH2-OE1 3.96Å; R113-E117 PolarHBondContact NH2-OE1 3.29Å; R113-E117 WeakPolarHBondContact O-CG 3.23Å; R113-E117 PolarHBondContact O-N 3.24Å
114	V	94.9	Very high	77.6	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.018	41%	0.411	C	S	.	.	H	α-helix	trans	-61.4	-40.1	178.3	69.9	0	0	0	0	111.7	D112 E117 M118 I273	D112-V114 HydrophobicContact CB-CG1 4.19Å; D112-V114 PolarHBondContact O-N 3.32Å; D112-V114 VanDerWaalsContact O-N 3.15Å; V114-E117 PolarHBondContact O-N 3.48Å; V114-M118 HydrophobicContact CG2-CE 3.9Å; V114-M118 HydrophobicContact CG2-CG 4.43Å; V114-M118 VanDerWaalsContact O-CG 3.26Å; V114-M118 WeakPolarHBondContact O-CG 3.21Å; V114-M118 PolarHBondContact O-N 3.3Å; V114-I273 HydrophobicContact CG1-CD1 4.04Å; V114-I273 HydrophobicContact CG2-CD1 4.03Å; V114-I273 HydrophobicContact CG2-CG1 3.94Å; V114-I273 HydrophobicContact CG2-CG2 4.24Å
115	D	95.3	Very high	80.4	Confident	4 Å²	4	69 Å²	69	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-70	-37.9	-179.1	-62.8	-48	0	0	0	111.1	E111 D112 R113 E117 M118 A119 H169 K378	E111-D115 HydrophobicContact CB-CB 4.26Å; D112-D115 WeakPolarHBondContact CB-OD2 3.27Å; D112-D115 WeakPolarHBondContact O-CB 3.35Å; D112-D115 PolarHBondContact O-N 2.98Å; R113-D115 VanDerWaalsContact C-N 3.32Å; R113-D115 PolarHBondContact O-N 2.84Å; D115-E117 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 2.93Å; D115-M118 PolarHBondContact O-N 3.04Å; D115-A119 VanDerWaalsContact O-CB 3.3Å; D115-A119 WeakPolarHBondContact O-CB 3.37Å; D115-A119 PolarHBondContact O-N 2.85Å; D115-H169 IonicContact OD1-CD2 2.83Å; D115-H169 IonicContact OD1-CE1 3.39Å; D115-H169 IonicContact OD1-NE2 4Å; D115-H169 PolarHBondContact OD1-NE2 2.82Å; D115-K378 IonicContact OD1-NZ 2.76Å; D115-K378 IonicContact OD2-NZ 3.16Å; D115-K378 PolarHBondContact OD2-NZ 2.83Å
116	Q	94.5	Very high	83.3	Confident	71 Å²	71	68 Å²	68	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-38.1	172.6	-61.2	176.8	30.4	0	0	112.2	V110 E111 D112 R113 K120	V110-Q116 VanDerWaalsContact CG1-NE2 3.27Å; E111-Q116 HydrophobicContact CB-CG 4.35Å; E111-Q116 PolarHBondContact O-NE2 2.92Å; D112-Q116 PolarHBondContact O-N 3.02Å; R113-Q116 PolarHBondContact O-N 2.73Å; Q116-K120 WeakPolarHBondContact O-CG 3.13Å; Q116-K120 PolarHBondContact O-N 3.45Å
117	E	93.1	Very high	85.9	Confident	69 Å²	69	67.9 Å²	67.9	32%	0.322	36%	0.359	S	S	.	.	H	α-helix	trans	-68.3	-46.2	175	-71.9	174.3	-175	0	0	110.6	R113 V114 D115 A119 K120 M121	R113-E117 IonicContact CZ-OE1 2.69Å; R113-E117 IonicContact NE-OE1 3.38Å; R113-E117 PolarHBondContact NE-OE1 2.73Å; R113-E117 IonicContact NH2-OE1 3.96Å; R113-E117 PolarHBondContact NH2-OE1 3.29Å; R113-E117 WeakPolarHBondContact O-CG 3.23Å; R113-E117 PolarHBondContact O-N 3.24Å; V114-E117 PolarHBondContact O-N 3.48Å; D115-E117 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 2.93Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 3.46Å; E117-K120 PolarHBondContact O-N 2.8Å; E117-M121 PolarHBondContact O-N 3.24Å
118	M	92.9	Very high	88.2	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-59.8	-41.4	176.6	-68.9	-44.3	101.9	0	0	112	V114 D115 K120 M121 H169 H262 I273	V114-M118 HydrophobicContact CG2-CE 3.9Å; V114-M118 HydrophobicContact CG2-CG 4.43Å; V114-M118 VanDerWaalsContact O-CG 3.26Å; V114-M118 WeakPolarHBondContact O-CG 3.21Å; V114-M118 PolarHBondContact O-N 3.3Å; D115-M118 PolarHBondContact O-N 3.04Å; M118-K120 PolarHBondContact O-N 2.74Å; M118-M121 HydrophobicContact CB-CE 4.46Å; M118-M121 HydrophobicContact CE-CE 3.12Å; M118-M121 HydrophobicContact CG-CE 4.39Å; M118-M121 PolarHBondContact O-N 3.05Å; M118-M121 HydrophobicContact SD-CE 3.17Å; M118-M121 WeakPolarHBondContact SD-CE 3.41Å; M118-H169 HydrophobicContact CB-CB 4.35Å; M118-H169 WeakPolarHBondContact CB-ND1 3.42Å; M118-H262 HydrophobicContact CE-CB 3.49Å; M118-H262 VanDerWaalsContact CE-CB 3.49Å; M118-I273 HydrophobicContact CG-CD1 4.13Å; M118-I273 HydrophobicContact CG-CG1 4.17Å; M118-I273 HydrophobicContact SD-CG1 4.5Å
119	A	89.8	Confident	89.8	Confident	41 Å²	41	74 Å²	74	34%	0.339	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-30.1	179.6	0	0	0	0	0	113.2	D115 E117 R173	D115-A119 VanDerWaalsContact O-CB 3.3Å; D115-A119 WeakPolarHBondContact O-CB 3.37Å; D115-A119 PolarHBondContact O-N 2.85Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 3.46Å; A119-R173 PolarHBondContact O-NH2 3.43Å
120	K	93	Very high	90.9	Very high	170 Å²	170	72.4 Å²	72.4	74%	0.739	34%	0.341	S	S	*	.	H	α-helix	trans	-82.9	-21.9	179.9	-69.8	170.1	-171.9	170.8	0	113.3	Q116 E117 M118	Q116-K120 WeakPolarHBondContact O-CG 3.13Å; Q116-K120 PolarHBondContact O-N 3.45Å; E117-K120 PolarHBondContact O-N 2.8Å; M118-K120 PolarHBondContact O-N 2.74Å
121	M	92.7	Very high	91	Very high	57 Å²	57	76.1 Å²	76.1	28%	0.281	35%	0.352	S	S	.	.	S	Bend	trans	-76.7	147.9	179.8	-70.1	-170.7	-68.7	0	0	111.9	E117 M118 R173 H262 L271	E117-M121 PolarHBondContact O-N 3.24Å; M118-M121 HydrophobicContact CB-CE 4.46Å; M118-M121 HydrophobicContact CE-CE 3.12Å; M118-M121 HydrophobicContact CG-CE 4.39Å; M118-M121 PolarHBondContact O-N 3.05Å; M118-M121 HydrophobicContact SD-CE 3.17Å; M118-M121 WeakPolarHBondContact SD-CE 3.41Å; M121-R173 PolarHBondContact O-NH2 3.21Å; M121-H262 VanDerWaalsContact CE-CE1 3.42Å; M121-H262 WeakPolarHBondContact CE-CE1 3.35Å; M121-H262 WeakPolarHBondContact CE-ND1 3.36Å; M121-H262 PolarHBondContact SD-CE1 3.26Å; M121-L271 HydrophobicContact CB-CD2 4.1Å; M121-L271 HydrophobicContact CE-CD2 4.17Å
122	D	89.7	Confident	91	Very high	88 Å²	88	82 Å²	82	47%	0.471	38%	0.38	S	S	.	.			trans	-64.4	-45.5	176	-177.8	31.9	0	0	0	111.1	R124 H126	D122-R124 PolarHBondContact O-N 2.91Å; D122-R124 VanDerWaalsContact O-N 3.12Å; D122-R124 WeakPolarHBondContact OD1-CD 3.29Å; D122-H126 IonicContact OD2-CE1 3.95Å; D122-H126 PolarHBondContact OD2-CE1 2.95Å; D122-H126 IonicContact OD2-NE2 3.25Å
123	G	89.5	Confident	90.9	Very high	19 Å²	19	84 Å²	84	20%	0.196	39%	0.39	C	S	.	.			trans	72.7	-7.3	177.3	0	0	0	0	0	115.2	P150	G123-P150 WeakPolarHBondContact O-CB 3.3Å
124	R	92.1	Very high	90.8	Very high	108 Å²	108	78.6 Å²	78.6	41%	0.408	37%	0.369	S	S	.	.			trans	-67.2	143.7	177.5	-68.2	177.7	161.2	-171.2	-7.1	112.3	D122 H126 P147 L148 E149	D122-R124 PolarHBondContact O-N 2.91Å; D122-R124 VanDerWaalsContact O-N 3.12Å; D122-R124 WeakPolarHBondContact OD1-CD 3.29Å; R124-H126 PolarHBondContact O-N 3.4Å; R124-H126 PolarHBondContact O-ND1 3.15Å; R124-P147 HydrophobicContact CB-CB 3.83Å; R124-L148 CarbonylContact C-O 3.54Å; R124-L148 WeakPolarHBondContact CA-O 3.24Å; R124-L148 WeakPolarHBondContact CB-O 3.09Å; R124-E149 IonicContact CZ-OE1 2.71Å; R124-E149 IonicContact NE-OE1 2.76Å; R124-E149 PolarHBondContact NE-OE1 2.79Å; R124-E149 IonicContact NH2-OE1 3.41Å; R124-E149 PolarHBondContact NH2-OE1 3.25Å
125	I	91.2	Very high	90.6	Very high	17 Å²	17	86.6 Å²	86.6	9%	0.087	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-85.4	106.6	-179.6	-58.7	147.4	0	0	0	108.4	R127 P147 L148 E149 Y155 P270	I125-R127 PolarHBondContact O-N 2.98Å; I125-P147 CarbonylContact O-C 3.49Å; I125-P147 VanDerWaalsContact O-CA 3.25Å; I125-P147 WeakPolarHBondContact O-CA 3.4Å; I125-L148 HydrophobicContact CB-CB 4.2Å; I125-L148 HydrophobicContact CD1-CB 4.2Å; I125-L148 PolarHBondContact N-O 3.41Å; I125-L148 PolarHBondContact O-N 3.2Å; I125-E149 WeakPolarHBondContact CD1-O 3.49Å; I125-Y155 HydrophobicContact CD1-CD1 3.25Å; I125-Y155 HydrophobicContact CD1-CD2 4.32Å; I125-Y155 HydrophobicContact CD1-CE1 3.56Å; I125-Y155 HydrophobicContact CD1-CG 3.65Å; I125-Y155 HydrophobicContact CG1-CD1 4.09Å; I125-Y155 HydrophobicContact CG1-CE1 3.88Å; I125-Y155 HydrophobicContact CG2-CD2 3.93Å; I125-Y155 HydrophobicContact CG2-CE1 4.13Å; I125-Y155 HydrophobicContact CG2-CE2 3.53Å; I125-Y155 HydrophobicContact CG2-CG 4.39Å; I125-P270 HydrophobicContact CD1-CG 3.88Å; I125-P270 HydrophobicContact CG1-CB 4.48Å; I125-P270 HydrophobicContact CG1-CG 3.74Å
126	H	89.8	Confident	90.2	Very high	132 Å²	132	87.8 Å²	87.8	61%	0.611	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-81.5	118.4	-178.8	-70	73.7	0	0	0	110.6	D122 R124	D122-H126 IonicContact OD2-CE1 3.95Å; D122-H126 PolarHBondContact OD2-CE1 2.95Å; D122-H126 IonicContact OD2-NE2 3.25Å; R124-H126 PolarHBondContact O-N 3.4Å; R124-H126 PolarHBondContact O-ND1 3.15Å
127	R	88	Confident	89.9	Confident	83 Å²	83	88.9 Å²	88.9	31%	0.313	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-94.4	141.6	179.9	-64.8	-176.5	-68.2	168.6	0.4	110.6	I125 I143 V146	I125-R127 PolarHBondContact O-N 2.98Å; R127-I143 PolarHBondContact NH1-O 3.42Å; R127-I143 PolarHBondContact NH2-O 3.38Å; R127-V146 PolarHBondContact NE-O 2.99Å; R127-V146 PolarHBondContact NH2-O 3.12Å
128	K	86.6	Confident	89.5	Confident	197 Å²	197	93.7 Å²	93.7	86%	0.857	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-65.9	145	171.1	-67.6	-176.8	179.8	178.7	0	109.5	N130	K128-N130 PolarHBondContact O-N 2.76Å
129	R	87.3	Confident	89.2	Confident	102 Å²	102	99 Å²	99	39%	0.385	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-57.5	128.1	172.9	-179.1	-177	175	121.5	1.6	109	C134 H136 P137	R129-C134 HydrophobicContact CG-CB 3.71Å; R129-C134 PolarHBondContact NH2-O 2.85Å; R129-H136 VanDerWaalsContact CZ-O 3.22Å; R129-H136 PolarHBondContact NH1-O 2.83Å; R129-H136 PolarHBondContact NH2-O 3.49Å; R129-P137 PolarHBondContact NH1-O 3.25Å
130	N	87.6	Confident	89.1	Confident	61 Å²	61	98.2 Å²	98.2	33%	0.326	49%	0.485	S	S	.	.			trans	-84.2	113.9	172.6	-174.8	-49.6	0	0	0	108.8	K128 Q132 L133 C134	K128-N130 PolarHBondContact O-N 2.76Å; N130-Q132 PolarHBondContact O-N 2.67Å; N130-Q132 PolarHBondContact OD1-N 2.76Å; N130-L133 HydrophobicContact CB-CB 4.15Å; N130-L133 PolarHBondContact O-N 3.13Å; N130-L133 PolarHBondContact OD1-N 3.25Å; N130-C134 PolarHBondContact N-SG 3.15Å; N130-C134 VanDerWaalsContact N-SG 3.44Å; N130-C134 WeakPolarHBondContact O-CB 3.39Å; N130-C134 PolarHBondContact O-N 3.05Å; N130-C134 PolarHBondContact O-SG 3.44Å; N130-C134 VanDerWaalsContact O-SG 3.39Å
131	E	88.3	Confident	89	Confident	180 Å²	180	96.8 Å²	96.8	84%	0.841	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29	-176.5	-65	-178.2	174	0	0	113.4
132	Q	89.8	Confident	89	Confident	162 Å²	162	95.7 Å²	95.7	76%	0.757	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-35.8	-177.1	-61.3	178	-5.5	0	0	112.7	N130 H135	N130-Q132 PolarHBondContact O-N 2.67Å; N130-Q132 PolarHBondContact OD1-N 2.76Å; Q132-H135 PolarHBondContact O-CE1 2.97Å
133	L	90.4	Very high	88.9	Confident	82 Å²	82	97.7 Å²	97.7	43%	0.429	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-18.3	-173.5	-59.7	175.9	0	0	0	113.9	N130 H135 H144	N130-L133 HydrophobicContact CB-CB 4.15Å; N130-L133 PolarHBondContact O-N 3.13Å; N130-L133 PolarHBondContact OD1-N 3.25Å; L133-H135 PolarHBondContact O-N 3.47Å; L133-H144 HydrophobicContact CB-CB 4.24Å
134	C	89.8	Confident	88.8	Confident	3 Å²	3	100.5 Å²	100.5	2%	0.02	50%	0.496	C	S	.	.			trans	-92.1	93.3	-178.1	-66.6	0	0	0	0	111.9	R129 N130 H136 C142	R129-C134 HydrophobicContact CG-CB 3.71Å; R129-C134 PolarHBondContact NH2-O 2.85Å; N130-C134 PolarHBondContact N-SG 3.15Å; N130-C134 VanDerWaalsContact N-SG 3.44Å; N130-C134 WeakPolarHBondContact O-CB 3.39Å; N130-C134 PolarHBondContact O-N 3.05Å; N130-C134 PolarHBondContact O-SG 3.44Å; N130-C134 VanDerWaalsContact O-SG 3.39Å; C134-H136 WeakPolarHBondContact CB-NE2 3.36Å; C134-H136 PolarHBondContact O-N 2.75Å; C134-C142 VanDerWaalsContact SG-SG 3.65Å
135	H	90.6	Very high	88.8	Confident	171 Å²	171	96.1 Å²	96.1	79%	0.792	48%	0.482	S	S	*	.			trans	-94.8	54	174.3	-55	-56.5	0	0	0	113.1	Q132 L133	Q132-H135 PolarHBondContact O-CE1 2.97Å; L133-H135 PolarHBondContact O-N 3.47Å
136	H	88	Confident	88.8	Confident	30 Å²	30	97.9 Å²	97.9	14%	0.139	49%	0.493	C	S	.	.	S	Bend	trans	-135.1	157.6	177.3	57.9	80.5	0	0	0	111.1	R129 C134 G140 C142 C145	R129-H136 VanDerWaalsContact CZ-O 3.22Å; R129-H136 PolarHBondContact NH1-O 2.83Å; R129-H136 PolarHBondContact NH2-O 3.49Å; C134-H136 WeakPolarHBondContact CB-NE2 3.36Å; C134-H136 PolarHBondContact O-N 2.75Å; H136-G140 PolarHBondContact CE1-O 3.01Å; H136-G140 VanDerWaalsContact ND1-C 3.29Å; H136-G140 PolarHBondContact ND1-O 3.33Å; H136-C142 VanDerWaalsContact CD2-SG 3.56Å; H136-C145 VanDerWaalsContact CE1-SG 3.58Å; H136-C145 PolarHBondContact NE2-SG 3.09Å
137	P	87.6	Confident	88.9	Confident	93 Å²	93	92.7 Å²	92.7	60%	0.604	47%	0.471	S	S	*	.			trans	-59.7	166.1	173.4	24.8	-34.2	0	0	0	111.9	R129 S139 G140	R129-P137 PolarHBondContact NH1-O 3.25Å; P137-S139 PolarHBondContact O-N 3.18Å; P137-S139 VanDerWaalsContact O-N 3.14Å; P137-G140 PolarHBondContact O-N 3.12Å
138	L	84.1	Confident	89.2	Confident	170 Å²	170	90.3 Å²	90.3	89%	0.89	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.6	-179.9	-69.6	173.7	0	0	0	113.4
139	S	87.8	Confident	89.6	Confident	113 Å²	113	84.1 Å²	84.1	79%	0.79	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.1	175.8	53.9	0	0	0	0	114.4	P137	P137-S139 PolarHBondContact O-N 3.18Å; P137-S139 VanDerWaalsContact O-N 3.14Å
140	G	88.3	Confident	89.9	Confident	25 Å²	25	79.3 Å²	79.3	26%	0.258	42%	0.421	S	S	.	.			trans	-83.6	162.1	179.4	0	0	0	0	0	112.4	H136 P137	H136-G140 PolarHBondContact CE1-O 3.01Å; H136-G140 VanDerWaalsContact ND1-C 3.29Å; H136-G140 PolarHBondContact ND1-O 3.33Å; P137-G140 PolarHBondContact O-N 3.12Å
141	Q	90	Very high	90.2	Very high	139 Å²	139	78.7 Å²	78.7	65%	0.65	42%	0.415	S	S	*	.			trans	-130.4	149.2	168.7	-63.5	-179	5.9	0	0	109.1
142	C	91.8	Very high	90.4	Very high	35 Å²	35	72.4 Å²	72.4	24%	0.236	39%	0.387	C	S	.	.			trans	-133.5	178.2	173.4	75.5	0	0	0	0	110.8	C134 H136 H144 C145 V146	C134-C142 VanDerWaalsContact SG-SG 3.65Å; H136-C142 VanDerWaalsContact CD2-SG 3.56Å; C142-H144 PolarHBondContact O-N 3.03Å; C142-H144 PolarHBondContact SG-N 2.93Å; C142-H144 VanDerWaalsContact SG-N 3.42Å; C142-C145 PolarHBondContact N-SG 2.86Å; C142-C145 PolarHBondContact O-N 2.9Å; C142-C145 VanDerWaalsContact O-N 3.1Å; C142-V146 WeakPolarHBondContact O-CB 3.49Å; C142-V146 PolarHBondContact O-N 3.49Å
143	I	88.6	Confident	90.5	Very high	129 Å²	129	69 Å²	69	66%	0.662	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.1	179.2	-167.4	164.4	0	0	0	114.2	R127	R127-I143 PolarHBondContact NH1-O 3.42Å; R127-I143 PolarHBondContact NH2-O 3.38Å
144	H	88.2	Confident	90.6	Very high	78 Å²	78	68.2 Å²	68.2	36%	0.361	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-17.8	-180	-57.7	-65.8	0	0	0	114	L133 C142	L133-H144 HydrophobicContact CB-CB 4.24Å; C142-H144 PolarHBondContact O-N 3.03Å; C142-H144 PolarHBondContact SG-N 2.93Å; C142-H144 VanDerWaalsContact SG-N 3.42Å
145	C	90.3	Very high	90.7	Very high	16 Å²	16	71.7 Å²	71.7	11%	0.108	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-12.2	-177	68.3	0	0	0	0	114.3	H136 C142	H136-C145 VanDerWaalsContact CE1-SG 3.58Å; H136-C145 PolarHBondContact NE2-SG 3.09Å; C142-C145 PolarHBondContact N-SG 2.86Å; C142-C145 PolarHBondContact O-N 2.9Å; C142-C145 VanDerWaalsContact O-N 3.1Å
146	V	92	Very high	90.9	Very high	54 Å²	54	64.1 Å²	64.1	33%	0.327	37%	0.365	S	S	.	.	S	Bend	trans	-56.7	137.1	175.3	65.6	0	0	0	0	109.9	R127 C142 L148	R127-V146 PolarHBondContact NE-O 2.99Å; R127-V146 PolarHBondContact NH2-O 3.12Å; C142-V146 WeakPolarHBondContact O-CB 3.49Å; C142-V146 PolarHBondContact O-N 3.49Å; V146-L148 PolarHBondContact O-N 3.03Å
147	P	92.9	Very high	91.1	Very high	24 Å²	24	69.6 Å²	69.6	16%	0.156	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-58.3	136.8	176.2	-25.4	34.9	0	0	0	111.6	R124 I125	R124-P147 HydrophobicContact CB-CB 3.83Å; I125-P147 CarbonylContact O-C 3.49Å; I125-P147 VanDerWaalsContact O-CA 3.25Å; I125-P147 WeakPolarHBondContact O-CA 3.4Å
148	L	93.3	Very high	91.3	Very high	33 Å²	33	73.1 Å²	73.1	17%	0.173	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-84.3	153.2	176	-57.2	175.3	0	0	0	110.3	R124 I125 V146 D152	R124-L148 CarbonylContact C-O 3.54Å; R124-L148 WeakPolarHBondContact CA-O 3.24Å; R124-L148 WeakPolarHBondContact CB-O 3.09Å; I125-L148 HydrophobicContact CB-CB 4.2Å; I125-L148 HydrophobicContact CD1-CB 4.2Å; I125-L148 PolarHBondContact N-O 3.41Å; I125-L148 PolarHBondContact O-N 3.2Å; V146-L148 PolarHBondContact O-N 3.03Å; L148-D152 HydrophobicContact CB-CB 4.17Å
149	E	94.1	Very high	91.5	Very high	67 Å²	67	66.1 Å²	66.1	31%	0.313	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.8	147.2	172.2	-66.8	-62.5	149.4	0	0	110.4	R124 I125 F151 D152	R124-E149 IonicContact CZ-OE1 2.71Å; R124-E149 IonicContact NE-OE1 2.76Å; R124-E149 PolarHBondContact NE-OE1 2.79Å; R124-E149 IonicContact NH2-OE1 3.41Å; R124-E149 PolarHBondContact NH2-OE1 3.25Å; I125-E149 WeakPolarHBondContact CD1-O 3.49Å; E149-F151 HydrophobicContact CB-CD1 4.16Å; E149-F151 HydrophobicContact CB-CD2 4.4Å; E149-F151 HydrophobicContact CB-CE1 3.72Å; E149-F151 HydrophobicContact CB-CE2 3.99Å; E149-F151 HydrophobicContact CB-CG 4.48Å; E149-F151 HydrophobicContact CB-CZ 3.63Å; E149-F151 HydrophobicContact CG-CE1 4.23Å; E149-F151 HydrophobicContact CG-CE2 4.49Å; E149-F151 HydrophobicContact CG-CZ 3.9Å; E149-F151 PolarHBondContact O-N 2.83Å; E149-D152 WeakPolarHBondContact O-CB 3.36Å; E149-D152 PolarHBondContact O-N 2.91Å
150	P	94.3	Very high	91.3	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.006	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.6	-175.3	21.7	-32.4	0	0	0	114.7	G123 A170 R173 P270 L271	G123-P150 WeakPolarHBondContact O-CB 3.3Å; P150-A170 HydrophobicContact CB-CB 3.99Å; P150-R173 HydrophobicContact CG-CB 3.98Å; P150-R173 HydrophobicContact CG-CG 4.07Å; P150-P270 HydrophobicContact CB-CB 3.73Å; P150-P270 HydrophobicContact CB-CG 4.4Å; P150-L271 HydrophobicContact CB-CD1 4.33Å; P150-L271 HydrophobicContact CG-CD1 4.3Å
151	F	93.8	Very high	91.3	Very high	48 Å²	48	71.4 Å²	71.4	21%	0.211	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	13.9	-179.9	55.8	-98.3	0	0	0	113.3	E149 S153 M166 R173 K174	E149-F151 HydrophobicContact CB-CD1 4.16Å; E149-F151 HydrophobicContact CB-CD2 4.4Å; E149-F151 HydrophobicContact CB-CE1 3.72Å; E149-F151 HydrophobicContact CB-CE2 3.99Å; E149-F151 HydrophobicContact CB-CG 4.48Å; E149-F151 HydrophobicContact CB-CZ 3.63Å; E149-F151 HydrophobicContact CG-CE1 4.23Å; E149-F151 HydrophobicContact CG-CE2 4.49Å; E149-F151 HydrophobicContact CG-CZ 3.9Å; E149-F151 PolarHBondContact O-N 2.83Å; F151-S153 PolarHBondContact O-N 3.21Å; F151-M166 HydrophobicContact CB-SD 4.45Å; F151-R173 HydrophobicContact CD1-CB 4.03Å; F151-R173 HydrophobicContact CE1-CB 4.07Å; F151-K174 HydrophobicContact CB-CB 3.97Å; F151-K174 HydrophobicContact CB-CD 4.3Å; F151-K174 HydrophobicContact CB-CG 4.37Å; F151-K174 HydrophobicContact CD1-CB 3.71Å; F151-K174 HydrophobicContact CD1-CG 4.46Å; F151-K174 HydrophobicContact CD2-CB 4.07Å; F151-K174 HydrophobicContact CD2-CD 4.35Å; F151-K174 HydrophobicContact CD2-CG 3.92Å; F151-K174 HydrophobicContact CE1-CB 4.22Å; F151-K174 HydrophobicContact CE2-CG 4.33Å; F151-K174 HydrophobicContact CG-CB 3.63Å; F151-K174 HydrophobicContact CG-CD 4.4Å; F151-K174 HydrophobicContact CG-CG 3.99Å
152	D	93.5	Very high	91.3	Very high	47 Å²	47	67.6 Å²	67.6	25%	0.251	37%	0.368	S	S	.	.			trans	-60.1	117.1	177.6	-175.1	-88.8	0	0	0	111.2	L148 E149 A154 Y155 L156	L148-D152 HydrophobicContact CB-CB 4.17Å; E149-D152 WeakPolarHBondContact O-CB 3.36Å; E149-D152 PolarHBondContact O-N 2.91Å; D152-A154 PolarHBondContact O-N 2.88Å; D152-A154 PolarHBondContact OD1-N 3.4Å; D152-Y155 PolarHBondContact O-N 3.21Å; D152-Y155 WeakPolarHBondContact OD1-CB 3.47Å; D152-Y155 PolarHBondContact OD1-N 3.33Å; D152-L156 VanDerWaalsContact O-CG 3.29Å; D152-L156 WeakPolarHBondContact O-CG 3.34Å; D152-L156 PolarHBondContact O-N 3.36Å; D152-L156 VanDerWaalsContact O-N 3.1Å
153	S	92	Very high	91.3	Very high	91 Å²	91	67.3 Å²	67.3	64%	0.636	37%	0.366	S	S	*	.	H	α-helix	trans	-67.3	-38	-172.3	54.3	0	0	0	0	112.9	F151 L156 E157	F151-S153 PolarHBondContact O-N 3.21Å; S153-L156 PolarHBondContact O-N 2.9Å; S153-E157 WeakPolarHBondContact O-CB 3.33Å; S153-E157 PolarHBondContact O-N 3.34Å
154	A	92.3	Very high	91.5	Very high	65 Å²	65	68 Å²	68	54%	0.537	36%	0.364	S	S	.	.	H	α-helix	trans	-67.3	-39.6	-178.9	0	0	0	0	0	111.2	D152 H158	D152-A154 PolarHBondContact O-N 2.88Å; D152-A154 PolarHBondContact OD1-N 3.4Å; A154-H158 WeakPolarHBondContact O-CB 3.34Å; A154-H158 PolarHBondContact O-N 2.86Å; A154-H158 VanDerWaalsContact O-N 3.15Å
155	Y	91.9	Very high	91.8	Very high	76 Å²	76	64.6 Å²	64.6	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-48.8	173.2	178.5	-97.8	0	0	0	112.1	I125 D152 E157 H158 L159 P270	I125-Y155 HydrophobicContact CD1-CD1 3.25Å; I125-Y155 HydrophobicContact CD1-CD2 4.32Å; I125-Y155 HydrophobicContact CD1-CE1 3.56Å; I125-Y155 HydrophobicContact CD1-CG 3.65Å; I125-Y155 HydrophobicContact CG1-CD1 4.09Å; I125-Y155 HydrophobicContact CG1-CE1 3.88Å; I125-Y155 HydrophobicContact CG2-CD2 3.93Å; I125-Y155 HydrophobicContact CG2-CE1 4.13Å; I125-Y155 HydrophobicContact CG2-CE2 3.53Å; I125-Y155 HydrophobicContact CG2-CG 4.39Å; D152-Y155 PolarHBondContact O-N 3.21Å; D152-Y155 WeakPolarHBondContact OD1-CB 3.47Å; D152-Y155 PolarHBondContact OD1-N 3.33Å; Y155-E157 VanDerWaalsContact C-N 3.27Å; Y155-E157 PolarHBondContact O-N 2.75Å; Y155-H158 PolarHBondContact O-N 3.27Å; Y155-H158 VanDerWaalsContact O-N 3.14Å; Y155-L159 HydrophobicContact CD1-CD1 4.37Å; Y155-L159 HydrophobicContact CE1-CD1 3.9Å; Y155-L159 HydrophobicContact CE1-CD2 4.1Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD2 4.48Å; Y155-L159 PolarHBondContact O-N 2.81Å; Y155-P270 HydrophobicContact CE1-CG 4.2Å
156	L	93.2	Very high	92	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-34.3	-178.4	-70.4	178.9	0	0	0	112.7	D152 S153 L159 V163 M166	D152-L156 VanDerWaalsContact O-CG 3.29Å; D152-L156 WeakPolarHBondContact O-CG 3.34Å; D152-L156 PolarHBondContact O-N 3.36Å; D152-L156 VanDerWaalsContact O-N 3.1Å; S153-L156 PolarHBondContact O-N 2.9Å; L156-L159 HydrophobicContact CD2-CD1 4.27Å; L156-V163 HydrophobicContact CB-CB 4.15Å; L156-V163 HydrophobicContact CD2-CB 4.04Å; L156-V163 HydrophobicContact CD2-CG1 4.15Å; L156-V163 HydrophobicContact CD2-CG2 4.09Å; L156-V163 PolarHBondContact O-N 3.39Å; L156-M166 HydrophobicContact CD1-CB 4.26Å
157	E	93.5	Very high	92.3	Very high	144 Å²	144	62.2 Å²	62.2	67%	0.673	33%	0.332	S	S	*	.	H	α-helix	trans	-74.7	-28.5	176.2	-170.5	170.6	-166.3	0	0	113	S153 Y155	S153-E157 WeakPolarHBondContact O-CB 3.33Å; S153-E157 PolarHBondContact O-N 3.34Å; Y155-E157 VanDerWaalsContact C-N 3.27Å; Y155-E157 PolarHBondContact O-N 2.75Å
158	H	91.3	Very high	92.5	Very high	168 Å²	168	61.4 Å²	61.4	78%	0.778	33%	0.326	S	S	*	.	H	α-helix	trans	-83	-9.7	178.1	-168	-67.7	0	0	0	113.3	A154 Y155	A154-H158 WeakPolarHBondContact O-CB 3.34Å; A154-H158 PolarHBondContact O-N 2.86Å; A154-H158 VanDerWaalsContact O-N 3.15Å; Y155-H158 PolarHBondContact O-N 3.27Å; Y155-H158 VanDerWaalsContact O-N 3.14Å
159	L	88.3	Confident	92.6	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.12	32%	0.321	C	S	.	.	S	Bend	trans	-63.6	151.7	172.1	-70.9	175.1	0	0	0	110.4	Y155 L156 P161 P162 V163	Y155-L159 HydrophobicContact CD1-CD1 4.37Å; Y155-L159 HydrophobicContact CE1-CD1 3.9Å; Y155-L159 HydrophobicContact CE1-CD2 4.1Å; Y155-L159 HydrophobicContact CE1-CG 4.15Å; Y155-L159 HydrophobicContact CE2-CD2 4.48Å; Y155-L159 PolarHBondContact O-N 2.81Å; L156-L159 HydrophobicContact CD2-CD1 4.27Å; L159-P161 VanDerWaalsContact C-C 3.4Å; L159-P161 CarbonylContact C-O 3.45Å; L159-P161 VanDerWaalsContact C-O 3.31Å; L159-P161 CarbonylContact O-C 3.49Å; L159-P162 VanDerWaalsContact O-CA 3.31Å; L159-P162 WeakPolarHBondContact O-CA 3.24Å; L159-P162 WeakPolarHBondContact O-CD 2.84Å; L159-V163 HydrophobicContact CB-CG2 4.23Å; L159-V163 HydrophobicContact CD1-CG2 3.41Å; L159-V163 VanDerWaalsContact CD1-CG2 3.41Å; L159-V163 HydrophobicContact CG-CG2 4.42Å
160	D	84.4	Confident	92.6	Very high	149 Å²	149	57.4 Å²	57.4	80%	0.797	31%	0.307	S	S	*	.	S	Bend	trans	-117.3	104.9	176.8	-174	18.7	0	0	0	109.5
161	P	88.2	Confident	92.6	Very high	99 Å²	99	59.5 Å²	59.5	64%	0.643	32%	0.315	S	S	*	.	S	Bend	cis	-75.4	161.6	-1.3	32.7	-36.2	0	0	0	113.1	L159	L159-P161 VanDerWaalsContact C-C 3.4Å; L159-P161 CarbonylContact C-O 3.45Å; L159-P161 VanDerWaalsContact C-O 3.31Å; L159-P161 CarbonylContact O-C 3.49Å
162	P	90.5	Very high	92.6	Very high	59 Å²	59	58.2 Å²	58.2	38%	0.383	31%	0.31	S	S	.	.			trans	-58.9	141.1	175.6	-26.7	35.3	0	0	0	112.1	L159 K164 T673	L159-P162 VanDerWaalsContact O-CA 3.31Å; L159-P162 WeakPolarHBondContact O-CA 3.24Å; L159-P162 WeakPolarHBondContact O-CD 2.84Å; P162-K164 PolarHBondContact O-N 2.89Å; P162-K164 VanDerWaalsContact O-N 3.13Å; P162-T673 HydrophobicContact CG-CG2 4.36Å
163	V	91.6	Very high	92.5	Very high	29 Å²	29	60.2 Å²	60.2	18%	0.176	31%	0.314	C	S	.	.			trans	-77.8	105.4	-177.7	175	0	0	0	0	110.5	L156 L159 F165 P269	L156-V163 HydrophobicContact CB-CB 4.15Å; L156-V163 HydrophobicContact CD2-CB 4.04Å; L156-V163 HydrophobicContact CD2-CG1 4.15Å; L156-V163 HydrophobicContact CD2-CG2 4.09Å; L156-V163 PolarHBondContact O-N 3.39Å; L159-V163 HydrophobicContact CB-CG2 4.23Å; L159-V163 HydrophobicContact CD1-CG2 3.41Å; L159-V163 VanDerWaalsContact CD1-CG2 3.41Å; L159-V163 HydrophobicContact CG-CG2 4.42Å; V163-F165 WeakPolarHBondContact CG1-O 3.22Å; V163-P269 HydrophobicContact CG1-CB 4.2Å; V163-P269 HydrophobicContact CG1-CG 3.83Å; V163-P269 HydrophobicContact CG2-CB 4.35Å; V163-P269 HydrophobicContact CG2-CG 3.86Å
164	K	92	Very high	92.4	Very high	143 Å²	143	61 Å²	61	62%	0.622	31%	0.306	S	S	*	.	S	Bend	trans	-66.7	-37.4	175.8	-174.9	178.7	174.7	-170.6	0	113.3	P162 N463	P162-K164 PolarHBondContact O-N 2.89Å; P162-K164 VanDerWaalsContact O-N 3.13Å; K164-N463 PolarHBondContact NZ-OD1 3.46Å
165	F	94.9	Very high	92.3	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	-130.8	125.1	-178.8	-54.8	-75.4	0	0	0	109.6	V163 I221 Q222 R225 T462 N463	V163-F165 WeakPolarHBondContact CG1-O 3.22Å; F165-I221 HydrophobicContact CE1-CG2 4.22Å; F165-Q222 WeakPolarHBondContact CD1-O 3.18Å; F165-Q222 VanDerWaalsContact CE1-O 3.27Å; F165-Q222 WeakPolarHBondContact CE1-O 3.2Å; F165-R225 HydrophobicContact CB-CB 4.41Å; F165-R225 HydrophobicContact CB-CG 3.95Å; F165-T462 HydrophobicContact CD1-CG2 4.2Å; F165-T462 HydrophobicContact CE1-CG2 3.88Å; F165-T462 HydrophobicContact CZ-CG2 4.25Å; F165-N463 WeakPolarHBondContact CE2-OD1 3.41Å
166	M	95.1	Very high	92	Very high	20 Å²	20	59 Å²	59	10%	0.099	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	153.2	173.1	71.5	-170.9	69.7	0	0	110.6	F151 L156 A170 Y171 K174 P223 Y224 R225	F151-M166 HydrophobicContact CB-SD 4.45Å; L156-M166 HydrophobicContact CD1-CB 4.26Å; M166-A170 HydrophobicContact CB-CB 4.5Å; M166-Y171 HydrophobicContact SD-CD2 3.9Å; M166-Y171 HydrophobicContact SD-CG 4.38Å; M166-K174 HydrophobicContact CE-CD 4.32Å; M166-K174 HydrophobicContact SD-CD 4.2Å; M166-P223 PolarHBondContact N-O 2.97Å; M166-P223 VanDerWaalsContact N-O 3.12Å; M166-Y224 WeakPolarHBondContact O-CA 3.49Å; M166-Y224 VanDerWaalsContact O-CB 3.31Å; M166-Y224 WeakPolarHBondContact O-CB 3.45Å; M166-R225 PolarHBondContact O-N 3Å; M166-R225 VanDerWaalsContact O-N 3.12Å
167	S	96.8	Very high	91.2	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	148.1	172.8	67.5	0	0	0	0	110.2	H169 A170 Y171 D228 P270 L271	S167-H169 PolarHBondContact O-N 3.47Å; S167-A170 PolarHBondContact O-N 3.1Å; S167-A170 VanDerWaalsContact O-N 3.11Å; S167-A170 WeakPolarHBondContact OG-CB 3.49Å; S167-A170 PolarHBondContact OG-N 2.84Å; S167-Y171 PolarHBondContact O-N 3.11Å; S167-D228 WeakPolarHBondContact CB-OD2 3.41Å; S167-P270 WeakPolarHBondContact CB-O 3.27Å; S167-P270 PolarHBondContact OG-O 3.1Å; S167-L271 WeakPolarHBondContact CB-O 3.2Å; S167-L271 PolarHBondContact OG-O 2.76Å
168	F	97	Very high	90.2	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-55.5	-40.6	178.3	175	-117.7	0	0	0	111.9	Y171 L172 L187 Y224 R225 H226 F375	F168-Y171 HydrophobicContact CD2-CD1 4.44Å; F168-Y171 CarbonylContact O-C 3.5Å; F168-Y171 WeakPolarHBondContact O-CA 3.36Å; F168-Y171 VanDerWaalsContact O-CB 3.31Å; F168-Y171 WeakPolarHBondContact O-CB 3.46Å; F168-Y171 PolarHBondContact O-N 3.31Å; F168-Y171 VanDerWaalsContact O-N 3.13Å; F168-L172 HydrophobicContact CD1-CD1 4.25Å; F168-L172 HydrophobicContact CD1-CG 4.37Å; F168-L172 HydrophobicContact CD2-CD2 4.42Å; F168-L172 HydrophobicContact CD2-CG 4.49Å; F168-L172 HydrophobicContact CE1-CD1 3.75Å; F168-L172 HydrophobicContact CE1-CD2 4.18Å; F168-L172 HydrophobicContact CE1-CG 4.04Å; F168-L172 HydrophobicContact CE2-CD2 3.69Å; F168-L172 HydrophobicContact CE2-CG 4.15Å; F168-L172 HydrophobicContact CZ-CD1 4Å; F168-L172 HydrophobicContact CZ-CD2 3.57Å; F168-L172 HydrophobicContact CZ-CG 3.93Å; F168-L172 WeakPolarHBondContact O-CG 3.47Å; F168-L172 PolarHBondContact O-N 3.4Å; F168-L187 HydrophobicContact CE2-CD1 4.48Å; F168-L187 HydrophobicContact CZ-CD1 4.41Å; F168-Y224 AromaticContact CD2-CD2 3.87Å; F168-Y224 HydrophobicContact CD2-CD2 3.87Å; F168-Y224 AromaticContact CD2-CE2 3.89Å; F168-Y224 HydrophobicContact CD2-CE2 3.89Å; F168-Y224 HydrophobicContact CE2-CE2 4.37Å; F168-R225 WeakPolarHBondContact CB-O 3.34Å; F168-R225 PolarHBondContact N-O 3.24Å; F168-H226 HydrophobicContact CB-CB 4.49Å; F168-H226 AromaticContact CD1-CD2 3.66Å; F168-H226 AromaticContact CD2-CD2 3.75Å; F168-H226 AromaticContact CD2-NE2 3.55Å; F168-H226 AromaticContact CE2-NE2 3.62Å; F168-H226 AromaticContact CG-CD2 3.51Å; F168-H226 AromaticContact CG-NE2 3.84Å; F168-H226 AromaticContact CZ-NE2 3.94Å; F168-F375 AromaticContact CE2-CD1 3.51Å; F168-F375 HydrophobicContact CE2-CD1 3.51Å; F168-F375 AromaticContact CE2-CE1 3.78Å; F168-F375 HydrophobicContact CE2-CE1 3.78Å; F168-F375 AromaticContact CZ-CD1 3.78Å; F168-F375 HydrophobicContact CZ-CD1 3.78Å; F168-F375 HydrophobicContact CZ-CE1 4.48Å
169	H	95.8	Very high	88.8	Confident	15 Å²	15	58 Å²	58	7%	0.069	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-35.6	178.2	-76.5	-83.3	0	0	0	113.1	D115 M118 S167 Y171 L172 R173 L271	D115-H169 IonicContact OD1-CD2 2.83Å; D115-H169 IonicContact OD1-CE1 3.39Å; D115-H169 IonicContact OD1-NE2 4Å; D115-H169 PolarHBondContact OD1-NE2 2.82Å; M118-H169 HydrophobicContact CB-CB 4.35Å; M118-H169 WeakPolarHBondContact CB-ND1 3.42Å; S167-H169 PolarHBondContact O-N 3.47Å; H169-Y171 VanDerWaalsContact C-N 3.31Å; H169-L172 PolarHBondContact O-N 3.39Å; H169-R173 WeakPolarHBondContact O-CG 3.47Å; H169-R173 PolarHBondContact O-N 3.18Å; H169-R173 VanDerWaalsContact O-N 3.07Å; H169-L271 HydrophobicContact CB-CB 3.79Å; H169-L271 HydrophobicContact CB-CD1 4.09Å
170	A	94.8	Very high	87.3	Confident	1 Å²	1	60 Å²	60	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-38.1	169.6	0	0	0	0	0	111.6	P150 M166 S167 R173 K174	P150-A170 HydrophobicContact CB-CB 3.99Å; M166-A170 HydrophobicContact CB-CB 4.5Å; S167-A170 PolarHBondContact O-N 3.1Å; S167-A170 VanDerWaalsContact O-N 3.11Å; S167-A170 WeakPolarHBondContact OG-CB 3.49Å; S167-A170 PolarHBondContact OG-N 2.84Å; A170-R173 WeakPolarHBondContact O-CB 3.33Å; A170-R173 PolarHBondContact O-N 2.83Å; A170-K174 PolarHBondContact O-N 2.78Å
171	Y	94.4	Very high	86.4	Confident	45 Å²	45	61.4 Å²	61.4	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-41.3	173.9	-179.5	-109.4	0	0	0	112.3	M166 S167 F168 H169 R173 K174 L175 L187 Y224	M166-Y171 HydrophobicContact SD-CD2 3.9Å; M166-Y171 HydrophobicContact SD-CG 4.38Å; S167-Y171 PolarHBondContact O-N 3.11Å; F168-Y171 HydrophobicContact CD2-CD1 4.44Å; F168-Y171 CarbonylContact O-C 3.5Å; F168-Y171 WeakPolarHBondContact O-CA 3.36Å; F168-Y171 VanDerWaalsContact O-CB 3.31Å; F168-Y171 WeakPolarHBondContact O-CB 3.46Å; F168-Y171 PolarHBondContact O-N 3.31Å; F168-Y171 VanDerWaalsContact O-N 3.13Å; H169-Y171 VanDerWaalsContact C-N 3.31Å; Y171-R173 VanDerWaalsContact C-N 3.31Å; Y171-R173 PolarHBondContact O-N 2.83Å; Y171-K174 WeakPolarHBondContact O-CB 3.5Å; Y171-K174 PolarHBondContact O-N 2.87Å; Y171-K174 VanDerWaalsContact O-N 3.12Å; Y171-L175 HydrophobicContact CD1-CD1 4.02Å; Y171-L175 HydrophobicContact CE1-CD1 3.43Å; Y171-L175 VanDerWaalsContact CE1-CD1 3.43Å; Y171-L175 HydrophobicContact CE1-CG 4.13Å; Y171-L175 HydrophobicContact CE2-CD1 4.42Å; Y171-L175 HydrophobicContact CE2-CD2 4.39Å; Y171-L175 HydrophobicContact CE2-CG 4.29Å; Y171-L175 PolarHBondContact O-N 3.37Å; Y171-L187 HydrophobicContact CE1-CD2 4.17Å; Y171-Y224 AromaticContact CD1-CD1 3.54Å; Y171-Y224 HydrophobicContact CD1-CD1 3.54Å; Y171-Y224 HydrophobicContact CD1-CD2 4.19Å; Y171-Y224 AromaticContact CD1-CE1 3.69Å; Y171-Y224 HydrophobicContact CD1-CE1 3.69Å; Y171-Y224 HydrophobicContact CD1-CE2 4.3Å; Y171-Y224 AromaticContact CD1-CG 3.82Å; Y171-Y224 HydrophobicContact CD1-CG 3.82Å; Y171-Y224 AromaticContact CD2-CD1 3.67Å; Y171-Y224 HydrophobicContact CD2-CD1 3.67Å; Y171-Y224 HydrophobicContact CD2-CE1 4.33Å; Y171-Y224 HydrophobicContact CD2-CG 4.24Å; Y171-Y224 AromaticContact CE1-CD1 3.6Å; Y171-Y224 HydrophobicContact CE1-CD1 3.6Å; Y171-Y224 AromaticContact CE1-CE1 3.31Å; Y171-Y224 HydrophobicContact CE1-CE1 3.31Å; Y171-Y224 HydrophobicContact CE1-CE2 4.46Å; Y171-Y224 HydrophobicContact CE1-CG 4.32Å; Y171-Y224 AromaticContact CE1-CZ 3.81Å; Y171-Y224 AromaticContact CE2-CD1 3.75Å; Y171-Y224 HydrophobicContact CE2-CD1 3.75Å; Y171-Y224 HydrophobicContact CE2-CE1 4.03Å; Y171-Y224 AromaticContact CG-CD1 3.56Å; Y171-Y224 HydrophobicContact CG-CD1 3.56Å; Y171-Y224 HydrophobicContact CG-CD2 4.5Å; Y171-Y224 HydrophobicContact CG-CE1 4.18Å; Y171-Y224 AromaticContact CG-CG 3.77Å; Y171-Y224 HydrophobicContact CG-CG 3.77Å; Y171-Y224 AromaticContact CZ-CD1 3.71Å; Y171-Y224 AromaticContact CZ-CE1 3.5Å
172	L	92.4	Very high	85.1	Confident	22 Å²	22	57.8 Å²	57.8	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-43	172.4	-66	-171	0	0	0	111.8	F168 H169 K174 L175 T176 L187 L369	F168-L172 HydrophobicContact CD1-CD1 4.25Å; F168-L172 HydrophobicContact CD1-CG 4.37Å; F168-L172 HydrophobicContact CD2-CD2 4.42Å; F168-L172 HydrophobicContact CD2-CG 4.49Å; F168-L172 HydrophobicContact CE1-CD1 3.75Å; F168-L172 HydrophobicContact CE1-CD2 4.18Å; F168-L172 HydrophobicContact CE1-CG 4.04Å; F168-L172 HydrophobicContact CE2-CD2 3.69Å; F168-L172 HydrophobicContact CE2-CG 4.15Å; F168-L172 HydrophobicContact CZ-CD1 4Å; F168-L172 HydrophobicContact CZ-CD2 3.57Å; F168-L172 HydrophobicContact CZ-CG 3.93Å; F168-L172 WeakPolarHBondContact O-CG 3.47Å; F168-L172 PolarHBondContact O-N 3.4Å; H169-L172 PolarHBondContact O-N 3.39Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 2.92Å; L172-L175 PolarHBondContact O-N 3.34Å; L172-T176 WeakPolarHBondContact O-CB 3.47Å; L172-T176 WeakPolarHBondContact O-CG2 3.36Å; L172-T176 PolarHBondContact O-N 2.74Å; L172-T176 PolarHBondContact O-OG1 3.32Å; L172-L187 HydrophobicContact CD2-CD1 3.36Å; L172-L369 HydrophobicContact CB-CD1 4.43Å; L172-L369 HydrophobicContact CD1-CD1 4.22Å; L172-L369 HydrophobicContact CD2-CD1 3.89Å; L172-L369 HydrophobicContact CG-CD1 4.41Å
173	R	91.6	Very high	83.7	Confident	88 Å²	88	62.8 Å²	62.8	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-36.8	175.3	-64.9	-67.9	-176	165.9	2.9	111.8	A119 M121 P150 F151 H169 A170 Y171 G177 L271	A119-R173 PolarHBondContact O-NH2 3.43Å; M121-R173 PolarHBondContact O-NH2 3.21Å; P150-R173 HydrophobicContact CG-CB 3.98Å; P150-R173 HydrophobicContact CG-CG 4.07Å; F151-R173 HydrophobicContact CD1-CB 4.03Å; F151-R173 HydrophobicContact CE1-CB 4.07Å; H169-R173 WeakPolarHBondContact O-CG 3.47Å; H169-R173 PolarHBondContact O-N 3.18Å; H169-R173 VanDerWaalsContact O-N 3.07Å; A170-R173 WeakPolarHBondContact O-CB 3.33Å; A170-R173 PolarHBondContact O-N 2.83Å; Y171-R173 VanDerWaalsContact C-N 3.31Å; Y171-R173 PolarHBondContact O-N 2.83Å; R173-G177 WeakPolarHBondContact O-CA 3.35Å; R173-G177 PolarHBondContact O-N 2.77Å; R173-L271 HydrophobicContact CG-CD1 4.21Å
174	K	91.4	Very high	82.1	Confident	108 Å²	108	69.4 Å²	69.4	47%	0.47	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-44.3	175	-172.8	176.7	178.4	174.1	0	112.1	F151 M166 A170 Y171 L172	F151-K174 HydrophobicContact CB-CB 3.97Å; F151-K174 HydrophobicContact CB-CD 4.3Å; F151-K174 HydrophobicContact CB-CG 4.37Å; F151-K174 HydrophobicContact CD1-CB 3.71Å; F151-K174 HydrophobicContact CD1-CG 4.46Å; F151-K174 HydrophobicContact CD2-CB 4.07Å; F151-K174 HydrophobicContact CD2-CD 4.35Å; F151-K174 HydrophobicContact CD2-CG 3.92Å; F151-K174 HydrophobicContact CE1-CB 4.22Å; F151-K174 HydrophobicContact CE2-CG 4.33Å; F151-K174 HydrophobicContact CG-CB 3.63Å; F151-K174 HydrophobicContact CG-CD 4.4Å; F151-K174 HydrophobicContact CG-CG 3.99Å; M166-K174 HydrophobicContact CE-CD 4.32Å; M166-K174 HydrophobicContact SD-CD 4.2Å; A170-K174 PolarHBondContact O-N 2.78Å; Y171-K174 WeakPolarHBondContact O-CB 3.5Å; Y171-K174 PolarHBondContact O-N 2.87Å; Y171-K174 VanDerWaalsContact O-N 3.12Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 2.92Å
175	L	88.7	Confident	80.7	Confident	59 Å²	59	63.9 Å²	63.9	31%	0.309	33%	0.332	S	S	.	.	H	α-helix	trans	-71.8	-37.8	-179.8	-70	-180	0	0	0	113.2	Y171 L172 L187	Y171-L175 HydrophobicContact CD1-CD1 4.02Å; Y171-L175 HydrophobicContact CE1-CD1 3.43Å; Y171-L175 VanDerWaalsContact CE1-CD1 3.43Å; Y171-L175 HydrophobicContact CE1-CG 4.13Å; Y171-L175 HydrophobicContact CE2-CD1 4.42Å; Y171-L175 HydrophobicContact CE2-CD2 4.39Å; Y171-L175 HydrophobicContact CE2-CG 4.29Å; Y171-L175 PolarHBondContact O-N 3.37Å; L172-L175 PolarHBondContact O-N 3.34Å; L175-L187 HydrophobicContact CD1-CD2 3.42Å; L175-L187 VanDerWaalsContact CD1-CD2 3.42Å; L175-L187 HydrophobicContact CD1-CG 4.19Å
176	T	85.9	Confident	79.4	Confident	41 Å²	41	70 Å²	70	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-86.8	-13.8	-179.3	56.3	0	0	0	0	113.2	L172 K181 G182 L369	L172-T176 WeakPolarHBondContact O-CB 3.47Å; L172-T176 WeakPolarHBondContact O-CG2 3.36Å; L172-T176 PolarHBondContact O-N 2.74Å; L172-T176 PolarHBondContact O-OG1 3.32Å; T176-K181 CarbonylContact O-C 3.52Å; T176-K181 VanDerWaalsContact O-CA 3.32Å; T176-K181 WeakPolarHBondContact O-CA 3.27Å; T176-G182 PolarHBondContact O-N 2.8Å; T176-L369 HydrophobicContact CG2-CD1 4.06Å
177	G	76.4	Confident	78.9	Confident	38 Å²	38	69.4 Å²	69.4	39%	0.392	36%	0.356	S	S	.	.			trans	-68.3	159.5	175.2	0	0	0	0	0	113.2	R173	R173-G177 WeakPolarHBondContact O-CA 3.35Å; R173-G177 PolarHBondContact O-N 2.77Å
178	G	72.5	Confident	78.3	Confident	61 Å²	61	76.3 Å²	76.3	63%	0.629	39%	0.388	S	S	*	.	S	Bend	trans	96.7	180	-179.6	0	0	0	0	0	114.8	S180 K181	G178-S180 PolarHBondContact O-N 3.45Å; G178-K181 PolarHBondContact O-N 3.29Å; G178-K181 VanDerWaalsContact O-N 3.17Å
179	Q	61.4	Low	77.9	Confident	203 Å²	203	78.2 Å²	78.2	95%	0.949	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.8	-172.6	-68.9	-174.9	-13.5	0	0	113.2	K181	Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 2.92Å
180	S	58.5	Low	77.6	Confident	66 Å²	66	80.3 Å²	80.3	46%	0.462	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.1	-176.9	-56.5	0	0	0	0	114.2	G178 G182 K183	G178-S180 PolarHBondContact O-N 3.45Å; S180-G182 PolarHBondContact O-N 3.18Å; S180-K183 WeakPolarHBondContact O-CB 3.44Å; S180-K183 WeakPolarHBondContact O-CG 3.38Å; S180-K183 PolarHBondContact O-N 3.28Å
181	K	64.1	Low	77.1	Confident	179 Å²	179	83 Å²	83	78%	0.778	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.2	40.2	179.5	-65.1	-173.1	176.9	-177.4	0	114	T176 G178 Q179 K183	T176-K181 CarbonylContact O-C 3.52Å; T176-K181 VanDerWaalsContact O-CA 3.32Å; T176-K181 WeakPolarHBondContact O-CA 3.27Å; G178-K181 PolarHBondContact O-N 3.29Å; G178-K181 VanDerWaalsContact O-N 3.17Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 2.92Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 3.2Å
182	G	62	Low	76.8	Confident	22 Å²	22	81 Å²	81	23%	0.227	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	10.2	-180	0	0	0	0	0	117.2	T176 S180 F184 S185	T176-G182 PolarHBondContact O-N 2.8Å; S180-G182 PolarHBondContact O-N 3.18Å; G182-F184 PolarHBondContact O-N 3.38Å; G182-S185 WeakPolarHBondContact CA-OG 3.27Å; G182-S185 PolarHBondContact O-N 2.83Å; G182-S185 VanDerWaalsContact O-N 3.15Å; G182-S185 PolarHBondContact O-OG 3.17Å; G182-S185 VanDerWaalsContact O-OG 3.14Å
183	K	59.7	Low	76.4	Confident	165 Å²	165	83.9 Å²	83.9	72%	0.717	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-19.8	176.9	-77	-175.6	178.4	-177.1	0	114.5	S180 K181	S180-K183 WeakPolarHBondContact O-CB 3.44Å; S180-K183 WeakPolarHBondContact O-CG 3.38Å; S180-K183 PolarHBondContact O-N 3.28Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 3.2Å
184	F	58.9	Low	76	Confident	168 Å²	168	81.4 Å²	81.4	74%	0.737	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	2.1	-178.3	-57.7	-72.2	0	0	0	113.6	G182 F186	G182-F184 PolarHBondContact O-N 3.38Å; F184-F186 PolarHBondContact O-N 3.18Å
185	S	62.2	Low	75.4	Confident	26 Å²	26	84.6 Å²	84.6	18%	0.182	44%	0.436	C	S	.	.			trans	-95.7	81.2	-179	58	0	0	0	0	109.6	G182	G182-S185 WeakPolarHBondContact CA-OG 3.27Å; G182-S185 PolarHBondContact O-N 2.83Å; G182-S185 VanDerWaalsContact O-N 3.15Å; G182-S185 PolarHBondContact O-OG 3.17Å; G182-S185 VanDerWaalsContact O-OG 3.14Å
186	F	67.8	Low	75	Confident	135 Å²	135	84.6 Å²	84.6	59%	0.592	44%	0.439	S	S	*	.			trans	-85.6	127	166.7	-64.3	-76	0	0	0	108.8	F184 E188 P371	F184-F186 PolarHBondContact O-N 3.18Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 HydrophobicContact CB-CG 4.25Å; F186-E188 PolarHBondContact O-N 3.32Å; F186-E188 VanDerWaalsContact O-N 3.12Å; F186-P371 HydrophobicContact CB-CG 4.1Å; F186-P371 HydrophobicContact CD1-CG 4.16Å; F186-P371 HydrophobicContact CG-CG 4.43Å
187	L	84.1	Confident	74.8	Confident	9 Å²	9	84.2 Å²	84.2	5%	0.047	44%	0.444	C	S	.	.			trans	-81.6	86.1	172.3	-77.4	171.6	0	0	0	108.9	F168 Y171 L172 L175 L369 S370 P371 F375	F168-L187 HydrophobicContact CE2-CD1 4.48Å; F168-L187 HydrophobicContact CZ-CD1 4.41Å; Y171-L187 HydrophobicContact CE1-CD2 4.17Å; L172-L187 HydrophobicContact CD2-CD1 3.36Å; L175-L187 HydrophobicContact CD1-CD2 3.42Å; L175-L187 VanDerWaalsContact CD1-CD2 3.42Å; L175-L187 HydrophobicContact CD1-CG 4.19Å; L187-L369 HydrophobicContact CD1-CB 4.01Å; L187-L369 PolarHBondContact N-O 3.42Å; L187-S370 WeakPolarHBondContact O-CA 3.41Å; L187-S370 VanDerWaalsContact O-CB 3.28Å; L187-S370 WeakPolarHBondContact O-CB 3.2Å; L187-S370 PolarHBondContact O-OG 3.25Å; L187-P371 WeakPolarHBondContact O-CD 3.21Å; L187-F375 HydrophobicContact CB-CD1 4.47Å; L187-F375 HydrophobicContact CB-CD2 3.72Å; L187-F375 HydrophobicContact CB-CE2 3.89Å; L187-F375 HydrophobicContact CB-CG 4.02Å; L187-F375 HydrophobicContact CB-CZ 4.34Å; L187-F375 HydrophobicContact CD1-CD1 4.07Å; L187-F375 HydrophobicContact CD1-CE1 4.29Å; L187-F375 HydrophobicContact CD1-CG 4.26Å; L187-F375 HydrophobicContact CD2-CD1 4.35Å; L187-F375 HydrophobicContact CD2-CE1 3.8Å; L187-F375 HydrophobicContact CD2-CE2 4.02Å; L187-F375 HydrophobicContact CD2-CZ 3.63Å; L187-F375 HydrophobicContact CG-CE1 4.48Å; L187-F375 HydrophobicContact CG-CE2 4.49Å; L187-F375 HydrophobicContact CG-CZ 4.45Å
188	E	85.3	Confident	75.2	Confident	145 Å²	145	84.1 Å²	84.1	68%	0.678	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-79.9	132	177.5	-64.7	-176.4	175.6	0	0	110.4	F186 P371	F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 HydrophobicContact CB-CG 4.25Å; F186-E188 PolarHBondContact O-N 3.32Å; F186-E188 VanDerWaalsContact O-N 3.12Å; E188-P371 HydrophobicContact CG-CG 4.41Å
189	N	88	Confident	76	Confident	46 Å²	46	90.3 Å²	90.3	25%	0.246	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-72.9	137.9	168.9	-67.9	-66.7	0	0	0	109.1	S191 D372 C374	N189-S191 PolarHBondContact O-N 2.6Å; N189-D372 PolarHBondContact ND2-OD2 2.82Å; N189-C374 PolarHBondContact ND2-O 3.46Å
190	L	88.7	Confident	77.3	Confident	60 Å²	60	86.4 Å²	86.4	31%	0.314	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-60.2	129.7	170.9	177.3	64.8	0	0	0	109.1	V217 Q402 A405	L190-V217 HydrophobicContact CD1-CG1 4.18Å; L190-V217 HydrophobicContact CD1-CG2 3.89Å; L190-V217 HydrophobicContact CD2-CG1 3.69Å; L190-V217 HydrophobicContact CD2-CG2 4.42Å; L190-Q402 HydrophobicContact CD2-CB 4.3Å; L190-Q402 HydrophobicContact CD2-CG 4.32Å; L190-A405 HydrophobicContact CB-CB 3.77Å; L190-A405 HydrophobicContact CD2-CB 4.01Å; L190-A405 HydrophobicContact CG-CB 3.95Å; L190-A405 WeakPolarHBondContact O-CB 3.31Å
191	S	86.2	Confident	78.6	Confident	58 Å²	58	84.7 Å²	84.7	41%	0.406	41%	0.411	S	S	.	.			trans	-126.4	125.5	175.5	173.4	0	0	0	0	108.6	N189 H193	N189-S191 PolarHBondContact O-N 2.6Å; S191-H193 PolarHBondContact OG-CE1 2.86Å; S191-H193 PolarHBondContact OG-ND1 3.31Å
192	C	86.3	Confident	79.8	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.007	39%	0.394	C	S	.	.			trans	-115.3	7	-174.3	-57.7	0	0	0	0	112.6	D409 I411 P434	C192-D409 WeakPolarHBondContact CA-OD2 3.33Å; C192-D409 HydrophobicContact CB-CB 4.23Å; C192-D409 PolarHBondContact N-OD2 2.97Å; C192-I411 HydrophobicContact CB-CD1 3.05Å; C192-P434 HydrophobicContact CB-CG 3.97Å; C192-P434 WeakPolarHBondContact O-CD 3.2Å
193	H	84.4	Confident	81	Confident	84 Å²	84	82.9 Å²	82.9	39%	0.389	41%	0.414	S	S	.	.	S	Bend	trans	-99.5	152.2	177.5	69.5	-88.4	0	0	0	112.2	S191 R195 P214 D409	S191-H193 PolarHBondContact OG-CE1 2.86Å; S191-H193 PolarHBondContact OG-ND1 3.31Å; H193-R195 PolarHBondContact O-N 3.18Å; H193-P214 VanDerWaalsContact C-CG 3.45Å; H193-P214 VanDerWaalsContact O-CG 3.29Å; H193-P214 WeakPolarHBondContact O-CG 3.4Å; H193-D409 PolarHBondContact N-OD2 2.94Å; H193-D409 IonicContact ND1-OD1 2.99Å; H193-D409 IonicContact ND1-OD2 3.6Å; H193-D409 PolarHBondContact ND1-OD2 2.98Å
194	I	83.4	Confident	82.3	Confident	35 Å²	35	78.7 Å²	78.7	18%	0.179	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-61	127.9	174.7	-55.8	176	0	0	0	109.3	P196 W204 I208 C212 F432	I194-P196 VanDerWaalsContact O-CD 3.28Å; I194-P196 WeakPolarHBondContact O-CD 3.43Å; I194-P196 VanDerWaalsContact O-N 3.13Å; I194-W204 HydrophobicContact CD1-CB 3.77Å; I194-W204 HydrophobicContact CD1-CD2 3.99Å; I194-W204 HydrophobicContact CD1-CE3 4.04Å; I194-W204 HydrophobicContact CD1-CG 3.89Å; I194-I208 HydrophobicContact CB-CD1 4.33Å; I194-I208 HydrophobicContact CD1-CD1 3.65Å; I194-I208 HydrophobicContact CD1-CG1 4.44Å; I194-I208 HydrophobicContact CG1-CD1 3.61Å; I194-I208 HydrophobicContact CG2-CD1 3.87Å; I194-I208 HydrophobicContact CG2-CG1 4.16Å; I194-C212 HydrophobicContact CG2-CB 4.09Å; I194-F432 HydrophobicContact CD1-CB 3.53Å; I194-F432 HydrophobicContact CD1-CG 4.09Å; I194-F432 HydrophobicContact CG1-CB 3.85Å; I194-F432 HydrophobicContact CG1-CD1 4.12Å; I194-F432 HydrophobicContact CG1-CG 4.13Å
195	R	79.9	Confident	83.8	Confident	176 Å²	176	73.7 Å²	73.7	66%	0.664	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-56.8	118	176.3	-68.9	-176.7	179.9	-163.5	-1	110.6	H193 C212	H193-R195 PolarHBondContact O-N 3.18Å; R195-C212 PolarHBondContact N-O 3.05Å
196	P	79.3	Confident	85.1	Confident	59 Å²	59	78.5 Å²	78.5	38%	0.383	40%	0.401	S	S	.	.	S	Bend	trans	-76.5	153.7	-177.6	23.8	-23.4	0	0	0	112.1	G81 S82 I194	G81-P196 WeakPolarHBondContact O-CB 3.5Å; S82-P196 WeakPolarHBondContact CB-O 3.41Å; S82-P196 PolarHBondContact OG-O 3.03Å; I194-P196 VanDerWaalsContact O-CD 3.28Å; I194-P196 WeakPolarHBondContact O-CD 3.43Å; I194-P196 VanDerWaalsContact O-N 3.13Å
197	G	81.5	Confident	86.1	Confident	33 Å²	33	73 Å²	73	34%	0.34	38%	0.384	S	S	.	.			trans	85.8	20.6	175.6	0	0	0	0	0	115.5
198	C	85.9	Confident	86.4	Confident	36 Å²	36	74.8 Å²	74.8	24%	0.243	39%	0.393	C	S	.	.			trans	-76.5	131.3	172.8	-164.3	0	0	0	0	111.2	H201 C212	C198-H201 VanDerWaalsContact CB-NE2 3.29Å; C198-H201 WeakPolarHBondContact CB-NE2 3.22Å; C198-H201 PolarHBondContact SG-CD2 2.96Å; C198-C212 WeakPolarHBondContact CB-SG 3.14Å
199	R	88.9	Confident	86.6	Confident	190 Å²	190	69 Å²	69	72%	0.717	37%	0.368	S	S	*	.	S	Bend	trans	-94.4	-7.9	176.9	-60.4	-178.4	-179.3	-179	0.4	113.3	E83	E83-R199 IonicContact OE1-CZ 3.82Å; E83-R199 IonicContact OE1-NE 3.98Å; E83-R199 PolarHBondContact OE1-NE 3.48Å; E83-R199 IonicContact OE1-NH2 2.81Å; E83-R199 PolarHBondContact OE1-NH2 3.29Å; E83-R199 IonicContact OE2-CZ 3.97Å; E83-R199 IonicContact OE2-NE 3.27Å; E83-R199 IonicContact OE2-NH2 3.57Å; E83-R199 PolarHBondContact OE2-NH2 2.93Å
200	D	88.4	Confident	86.6	Confident	121 Å²	121	72.8 Å²	72.8	65%	0.647	39%	0.392	S	S	*	.	S	Bend	trans	-85.8	-6.5	-175.3	-62.1	-26	0	0	0	113.2
201	H	86.2	Confident	86.6	Confident	30 Å²	30	77.5 Å²	77.5	14%	0.139	41%	0.411	C	S	.	.	S	Bend	trans	-147.3	153.3	178.7	66.8	85.2	0	0	0	111.7	C198 G207 C209 C212	C198-H201 VanDerWaalsContact CB-NE2 3.29Å; C198-H201 WeakPolarHBondContact CB-NE2 3.22Å; C198-H201 PolarHBondContact SG-CD2 2.96Å; H201-G207 PolarHBondContact ND1-O 3.15Å; H201-C209 HydrophobicContact CB-CB 4.43Å; H201-C209 PolarHBondContact CD2-N 3.14Å; H201-C209 VanDerWaalsContact CD2-N 3.29Å; H201-C209 VanDerWaalsContact CD2-SG 3.6Å; H201-C212 WeakPolarHBondContact NE2-CB 3.48Å
202	P	88	Confident	86.7	Confident	66 Å²	66	75.3 Å²	75.3	43%	0.429	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-65.1	157.9	170.9	30.3	-36.6	0	0	0	110.8	N206	P202-N206 HydrophobicContact CB-CB 3.91Å; P202-N206 HydrophobicContact CG-CB 3.89Å
203	P	87.6	Confident	86.8	Confident	98 Å²	98	79.4 Å²	79.4	64%	0.636	41%	0.414	S	S	*	.	S	Bend	trans	-61.6	146.4	178.4	25.2	-33.7	0	0	0	111.6	N206	P203-N206 WeakPolarHBondContact O-CB 3.34Å; P203-N206 PolarHBondContact O-N 3.03Å
204	W	87.1	Confident	87	Confident	77 Å²	77	76.1 Å²	76.1	29%	0.292	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	137	172.4	-176	-97	0	0	0	110.1	I194 I208 T427 T428 K429 F432	I194-W204 HydrophobicContact CD1-CB 3.77Å; I194-W204 HydrophobicContact CD1-CD2 3.99Å; I194-W204 HydrophobicContact CD1-CE3 4.04Å; I194-W204 HydrophobicContact CD1-CG 3.89Å; W204-I208 HydrophobicContact CE3-CB 4.38Å; W204-I208 HydrophobicContact CZ3-CG2 4.23Å; W204-T427 HydrophobicContact CH2-CG2 3.86Å; W204-T427 HydrophobicContact CZ2-CG2 3.53Å; W204-T428 WeakPolarHBondContact CZ2-O 3.43Å; W204-T428 PolarHBondContact NE1-O 3.26Å; W204-T428 VanDerWaalsContact NE1-O 3.16Å; W204-K429 PolarHBondContact NE1-O 3.21Å; W204-F432 HydrophobicContact CD2-CB 4.04Å; W204-F432 HydrophobicContact CE3-CB 4.32Å; W204-F432 HydrophobicContact CE3-CD2 4.27Å; W204-F432 HydrophobicContact CH2-CB 4.41Å; W204-F432 AromaticContact CH2-CD2 3.65Å; W204-F432 HydrophobicContact CH2-CD2 3.65Å; W204-F432 HydrophobicContact CH2-CE2 4.49Å; W204-F432 HydrophobicContact CZ2-CB 4.11Å; W204-F432 HydrophobicContact CZ2-CD2 4.12Å; W204-F432 HydrophobicContact CZ3-CB 4.5Å; W204-F432 AromaticContact CZ3-CD2 3.72Å; W204-F432 HydrophobicContact CZ3-CD2 3.72Å
205	P	90.5	Very high	87.4	Confident	62 Å²	62	80.8 Å²	80.8	40%	0.403	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.2	5.5	8.9	35.4	-36.9	0	0	0	116.1	G207 K429	P205-G207 PolarHBondContact O-N 3.45Å; P205-K429 HydrophobicContact CB-CB 4.27Å; P205-K429 WeakPolarHBondContact CB-O 3.4Å; P205-K429 HydrophobicContact CG-CB 4.21Å; P205-K429 WeakPolarHBondContact CG-O 3.2Å
206	N	90.1	Very high	88	Confident	127 Å²	127	76.1 Å²	76.1	68%	0.679	42%	0.418	S	S	*	.	S	Bend	trans	-73.9	-15.3	-171.6	-62.9	-44.3	0	0	0	113.8	P202 P203	P202-N206 HydrophobicContact CB-CB 3.91Å; P202-N206 HydrophobicContact CG-CB 3.89Å; P203-N206 WeakPolarHBondContact O-CB 3.34Å; P203-N206 PolarHBondContact O-N 3.03Å
207	G	88.6	Confident	88.7	Confident	21 Å²	21	73.8 Å²	73.8	22%	0.216	40%	0.403	C	S	.	.			trans	172.5	161.5	176	0	0	0	0	0	112.8	H201 P205	H201-G207 PolarHBondContact ND1-O 3.15Å; P205-G207 PolarHBondContact O-N 3.45Å
208	I	89.6	Confident	89.3	Confident	46 Å²	46	74.8 Å²	74.8	24%	0.236	40%	0.402	C	S	.	.			trans	-148.4	139.6	172.9	-169.8	175	0	0	0	108	I194 W204 C212 Q213	I194-I208 HydrophobicContact CB-CD1 4.33Å; I194-I208 HydrophobicContact CD1-CD1 3.65Å; I194-I208 HydrophobicContact CD1-CG1 4.44Å; I194-I208 HydrophobicContact CG1-CD1 3.61Å; I194-I208 HydrophobicContact CG2-CD1 3.87Å; I194-I208 HydrophobicContact CG2-CG1 4.16Å; W204-I208 HydrophobicContact CE3-CB 4.38Å; W204-I208 HydrophobicContact CZ3-CG2 4.23Å; I208-C212 HydrophobicContact CG1-CB 4.24Å; I208-Q213 VanDerWaalsContact CD1-CA 3.5Å; I208-Q213 HydrophobicContact CD1-CB 3.9Å; I208-Q213 HydrophobicContact CD1-CG 4.35Å; I208-Q213 HydrophobicContact CG1-CB 4.37Å
209	C	90.8	Very high	89.7	Confident	24 Å²	24	73.1 Å²	73.1	16%	0.162	39%	0.391	C	S	.	.			trans	-90.3	158.1	173.3	79.1	0	0	0	0	110.8	H201 K211 C212 Q213	H201-C209 HydrophobicContact CB-CB 4.43Å; H201-C209 PolarHBondContact CD2-N 3.14Å; H201-C209 VanDerWaalsContact CD2-N 3.29Å; H201-C209 VanDerWaalsContact CD2-SG 3.6Å; C209-K211 PolarHBondContact O-N 3.17Å; C209-K211 VanDerWaalsContact O-N 3.13Å; C209-C212 PolarHBondContact O-N 3.18Å; C209-C212 PolarHBondContact SG-N 3.28Å; C209-C212 VanDerWaalsContact SG-N 3.43Å; C209-C212 VanDerWaalsContact SG-SG 3.67Å; C209-Q213 PolarHBondContact O-N 3.03Å
210	T	88.4	Confident	89.8	Confident	124 Å²	124	68.3 Å²	68.3	76%	0.761	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24	178.6	51	0	0	0	0	113.8
211	K	87.1	Confident	90	Very high	160 Å²	160	67.2 Å²	67.2	70%	0.696	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.6	176.4	-60.2	177.7	-176.2	169.9	0	113.4	C209	C209-K211 PolarHBondContact O-N 3.17Å; C209-K211 VanDerWaalsContact O-N 3.13Å
212	C	89.1	Confident	90.3	Very high	11 Å²	11	66 Å²	66	7%	0.074	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-18.1	-178.4	-74.8	0	0	0	0	112.8	I194 R195 C198 H201 I208 C209 P214	I194-C212 HydrophobicContact CG2-CB 4.09Å; R195-C212 PolarHBondContact N-O 3.05Å; C198-C212 WeakPolarHBondContact CB-SG 3.14Å; H201-C212 WeakPolarHBondContact NE2-CB 3.48Å; I208-C212 HydrophobicContact CG1-CB 4.24Å; C209-C212 PolarHBondContact O-N 3.18Å; C209-C212 PolarHBondContact SG-N 3.28Å; C209-C212 VanDerWaalsContact SG-N 3.43Å; C209-C212 VanDerWaalsContact SG-SG 3.67Å; C212-P214 VanDerWaalsContact O-CD 3.28Å; C212-P214 WeakPolarHBondContact O-CD 3.44Å
213	Q	88.8	Confident	90.6	Very high	88 Å²	88	66 Å²	66	41%	0.411	36%	0.364	S	S	.	.	S	Bend	trans	-62.5	119.8	171.8	-172.6	175.1	-5.4	0	0	110.4	I208 C209 F432	I208-Q213 VanDerWaalsContact CD1-CA 3.5Å; I208-Q213 HydrophobicContact CD1-CB 3.9Å; I208-Q213 HydrophobicContact CD1-CG 4.35Å; I208-Q213 HydrophobicContact CG1-CB 4.37Å; C209-Q213 PolarHBondContact O-N 3.03Å; Q213-F432 HydrophobicContact CG-CE1 4.23Å; Q213-F432 HydrophobicContact CG-CZ 3.81Å
214	P	88.6	Confident	91	Very high	14 Å²	14	62 Å²	62	9%	0.091	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-59.9	137.6	170.2	-22.1	34.1	0	0	0	110.5	H193 C212 F432 P434	H193-P214 VanDerWaalsContact C-CG 3.45Å; H193-P214 VanDerWaalsContact O-CG 3.29Å; H193-P214 WeakPolarHBondContact O-CG 3.4Å; C212-P214 VanDerWaalsContact O-CD 3.28Å; C212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-F432 HydrophobicContact CG-CD1 4.37Å; P214-F432 HydrophobicContact CG-CE1 4.28Å; P214-P434 HydrophobicContact CB-CB 4.22Å; P214-P434 HydrophobicContact CB-CG 4.26Å
215	N	90.9	Very high	91.5	Very high	134 Å²	134	59.3 Å²	59.3	72%	0.717	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-65.9	150	177.3	-70.4	-30.6	0	0	0	110.7	V217	N215-V217 PolarHBondContact O-N 2.77Å
216	P	93	Very high	91.9	Very high	77 Å²	77	56.6 Å²	56.6	50%	0.5	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-52.8	138.6	168.2	-25.5	34.8	0	0	0	111.5	E435 F437	P216-E435 CarbonylContact C-O 3.47Å; P216-E435 VanDerWaalsContact CA-O 3.3Å; P216-E435 WeakPolarHBondContact CA-O 3.38Å; P216-E435 HydrophobicContact CB-CB 4.34Å; P216-F437 HydrophobicContact CB-CE2 4.23Å
217	V	93.4	Very high	92.3	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.1	-176.5	-178.1	0	0	0	0	108.8	L190 N215 L219 E435 V436 F437	L190-V217 HydrophobicContact CD1-CG1 4.18Å; L190-V217 HydrophobicContact CD1-CG2 3.89Å; L190-V217 HydrophobicContact CD2-CG1 3.69Å; L190-V217 HydrophobicContact CD2-CG2 4.42Å; N215-V217 PolarHBondContact O-N 2.77Å; V217-L219 HydrophobicContact CG1-CD2 3.83Å; V217-L219 HydrophobicContact CG1-CG 4.49Å; V217-E435 PolarHBondContact N-O 3.01Å; V217-V436 HydrophobicContact CB-CG1 4.47Å; V217-V436 HydrophobicContact CB-CG2 4.4Å; V217-V436 CarbonylContact O-C 3.58Å; V217-V436 WeakPolarHBondContact O-CA 3.35Å; V217-F437 PolarHBondContact O-N 2.93Å
218	T	94.2	Very high	92.7	Very high	53 Å²	53	49.6 Å²	49.6	33%	0.325	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.6	169.2	-59.2	0	0	0	0	109.4	F437 A439 T449	T218-F437 CarbonylContact C-O 3.24Å; T218-F437 HydrophobicContact CG2-CB 4.42Å; T218-A439 HydrophobicContact CG2-CB 3.93Å; T218-T449 HydrophobicContact CG2-CG2 4.29Å
219	L	93.8	Very high	93.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.2	179.9	-55.8	174.6	0	0	0	111	V217 Q402 L406 V436 F437 Y438 A439 L455 L460	V217-L219 HydrophobicContact CG1-CD2 3.83Å; V217-L219 HydrophobicContact CG1-CG 4.49Å; L219-Q402 VanDerWaalsContact CA-OE1 3.29Å; L219-Q402 HydrophobicContact CD2-CB 3.8Å; L219-Q402 HydrophobicContact CD2-CG 4.35Å; L219-L406 HydrophobicContact CD1-CD1 3.94Å; L219-L406 HydrophobicContact CD2-CD1 4.14Å; L219-V436 HydrophobicContact CD1-CG1 3.64Å; L219-V436 HydrophobicContact CD2-CG1 4.35Å; L219-V436 HydrophobicContact CG-CG1 3.78Å; L219-F437 WeakPolarHBondContact CB-O 3.42Å; L219-F437 WeakPolarHBondContact CG-O 3.3Å; L219-F437 PolarHBondContact N-O 3.15Å; L219-Y438 CarbonylContact O-C 3.55Å; L219-Y438 WeakPolarHBondContact O-CA 3.34Å; L219-A439 PolarHBondContact O-N 2.85Å; L219-L455 HydrophobicContact CD1-CD1 3.68Å; L219-L455 HydrophobicContact CD1-CD2 3.63Å; L219-L455 HydrophobicContact CD1-CG 4.33Å; L219-L460 HydrophobicContact CD1-CD2 4.27Å
220	E	91.6	Very high	93.4	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	25%	0.253	S	S	.	.			trans	-129.3	153.7	174.2	-66.9	-177.6	-175.7	0	0	110.1	Q222 Q402 A439 R447	E220-Q222 PolarHBondContact O-N 3.15Å; E220-Q402 PolarHBondContact O-NE2 2.88Å; E220-A439 HydrophobicContact CG-CB 4.23Å; E220-R447 IonicContact OE1-CZ 2.64Å; E220-R447 IonicContact OE1-NE 3.68Å; E220-R447 IonicContact OE1-NH1 3.17Å; E220-R447 IonicContact OE1-NH2 3.44Å; E220-R447 PolarHBondContact OE1-NH2 2.89Å
221	I	92.1	Very high	93.9	Very high	98 Å²	98	42.5 Å²	42.5	50%	0.503	22%	0.22	S	C	.	.			trans	-59.8	124.3	174.3	-61.5	174.8	0	0	0	108.5	F165 P223 F459	F165-I221 HydrophobicContact CE1-CG2 4.22Å; I221-P223 WeakPolarHBondContact O-CD 3.33Å; I221-F459 HydrophobicContact CD1-CE1 4.5Å; I221-F459 HydrophobicContact CG1-CD1 3.88Å; I221-F459 HydrophobicContact CG1-CE1 4.23Å
222	Q	94	Very high	94.4	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.028	19%	0.187	C	C	.	.			trans	-65.5	124.2	179.3	-171	175.3	-75.5	0	0	110.1	F165 E220 Y224 T462	F165-Q222 WeakPolarHBondContact CD1-O 3.18Å; F165-Q222 VanDerWaalsContact CE1-O 3.27Å; F165-Q222 WeakPolarHBondContact CE1-O 3.2Å; E220-Q222 PolarHBondContact O-N 3.15Å; Q222-Y224 HydrophobicContact CG-CD1 3.93Å; Q222-Y224 HydrophobicContact CG-CD2 4.39Å; Q222-Y224 HydrophobicContact CG-CE1 3.69Å; Q222-Y224 HydrophobicContact CG-CE2 4.18Å; Q222-Y224 HydrophobicContact CG-CG 4.26Å; Q222-Y224 WeakPolarHBondContact CG-O 3.37Å; Q222-Y224 PolarHBondContact NE2-O 3.36Å; Q222-Y224 PolarHBondContact O-N 2.83Å; Q222-T462 HydrophobicContact CB-CG2 3.99Å
223	P	94.2	Very high	94.7	Very high	66 Å²	66	34.4 Å²	34.4	43%	0.429	18%	0.183	S	C	.	.	S	Bend	trans	-84	4.1	-173.3	32.2	-34.3	0	0	0	114	M166 I221	M166-P223 PolarHBondContact N-O 2.97Å; M166-P223 VanDerWaalsContact N-O 3.12Å; I221-P223 WeakPolarHBondContact O-CD 3.33Å
224	Y	96.4	Very high	95	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.051	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.9	-177.8	64.8	-89.4	0	0	0	111	M166 F168 Y171 Q222 H226 F375 N401	M166-Y224 WeakPolarHBondContact O-CA 3.49Å; M166-Y224 VanDerWaalsContact O-CB 3.31Å; M166-Y224 WeakPolarHBondContact O-CB 3.45Å; F168-Y224 AromaticContact CD2-CD2 3.87Å; F168-Y224 HydrophobicContact CD2-CD2 3.87Å; F168-Y224 AromaticContact CD2-CE2 3.89Å; F168-Y224 HydrophobicContact CD2-CE2 3.89Å; F168-Y224 HydrophobicContact CE2-CE2 4.37Å; Y171-Y224 AromaticContact CD1-CD1 3.54Å; Y171-Y224 HydrophobicContact CD1-CD1 3.54Å; Y171-Y224 HydrophobicContact CD1-CD2 4.19Å; Y171-Y224 AromaticContact CD1-CE1 3.69Å; Y171-Y224 HydrophobicContact CD1-CE1 3.69Å; Y171-Y224 HydrophobicContact CD1-CE2 4.3Å; Y171-Y224 AromaticContact CD1-CG 3.82Å; Y171-Y224 HydrophobicContact CD1-CG 3.82Å; Y171-Y224 AromaticContact CD2-CD1 3.67Å; Y171-Y224 HydrophobicContact CD2-CD1 3.67Å; Y171-Y224 HydrophobicContact CD2-CE1 4.33Å; Y171-Y224 HydrophobicContact CD2-CG 4.24Å; Y171-Y224 AromaticContact CE1-CD1 3.6Å; Y171-Y224 HydrophobicContact CE1-CD1 3.6Å; Y171-Y224 AromaticContact CE1-CE1 3.31Å; Y171-Y224 HydrophobicContact CE1-CE1 3.31Å; Y171-Y224 HydrophobicContact CE1-CE2 4.46Å; Y171-Y224 HydrophobicContact CE1-CG 4.32Å; Y171-Y224 AromaticContact CE1-CZ 3.81Å; Y171-Y224 AromaticContact CE2-CD1 3.75Å; Y171-Y224 HydrophobicContact CE2-CD1 3.75Å; Y171-Y224 HydrophobicContact CE2-CE1 4.03Å; Y171-Y224 AromaticContact CG-CD1 3.56Å; Y171-Y224 HydrophobicContact CG-CD1 3.56Å; Y171-Y224 HydrophobicContact CG-CD2 4.5Å; Y171-Y224 HydrophobicContact CG-CE1 4.18Å; Y171-Y224 AromaticContact CG-CG 3.77Å; Y171-Y224 HydrophobicContact CG-CG 3.77Å; Y171-Y224 AromaticContact CZ-CD1 3.71Å; Y171-Y224 AromaticContact CZ-CE1 3.5Å; Q222-Y224 HydrophobicContact CG-CD1 3.93Å; Q222-Y224 HydrophobicContact CG-CD2 4.39Å; Q222-Y224 HydrophobicContact CG-CE1 3.69Å; Q222-Y224 HydrophobicContact CG-CE2 4.18Å; Q222-Y224 HydrophobicContact CG-CG 4.26Å; Q222-Y224 WeakPolarHBondContact CG-O 3.37Å; Q222-Y224 PolarHBondContact NE2-O 3.36Å; Q222-Y224 PolarHBondContact O-N 2.83Å; Y224-H226 AromaticContact CE2-CE1 3.81Å; Y224-F375 HydrophobicContact CE2-CE1 4.15Å; Y224-F375 AromaticContact CZ-CE1 3.91Å; Y224-F375 WeakPolarHBondContact OH-CE1 3.24Å; Y224-F375 VanDerWaalsContact OH-CZ 3.23Å; Y224-F375 WeakPolarHBondContact OH-CZ 3.3Å; Y224-N401 PolarHBondContact OH-ND2 3.48Å
225	R	97.1	Very high	95.3	Very high	21 Å²	21	32 Å²	32	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.1	173.9	61.1	-170.4	176.2	170.5	14.2	110.6	F165 M166 F168 V227 D228 N463 M464	F165-R225 HydrophobicContact CB-CB 4.41Å; F165-R225 HydrophobicContact CB-CG 3.95Å; M166-R225 PolarHBondContact O-N 3Å; M166-R225 VanDerWaalsContact O-N 3.12Å; F168-R225 WeakPolarHBondContact CB-O 3.34Å; F168-R225 PolarHBondContact N-O 3.24Å; R225-V227 VanDerWaalsContact CD-O 3.26Å; R225-V227 WeakPolarHBondContact CD-O 3.44Å; R225-V227 WeakPolarHBondContact CG-O 3.27Å; R225-D228 VanDerWaalsContact CZ-CA 3.5Å; R225-D228 IonicContact CZ-OD1 3.51Å; R225-D228 IonicContact NE-OD1 2.86Å; R225-D228 PolarHBondContact NE-OD1 3.29Å; R225-D228 VanDerWaalsContact NH2-CA 3.35Å; R225-D228 PolarHBondContact NH2-O 3.4Å; R225-D228 IonicContact NH2-OD1 2.89Å; R225-D228 PolarHBondContact NH2-OD1 3.1Å; R225-D228 VanDerWaalsContact NH2-OD1 3.12Å; R225-N463 PolarHBondContact NH1-O 3.36Å; R225-M464 VanDerWaalsContact NH1-CA 3.33Å; R225-M464 VanDerWaalsContact NH1-CB 3.33Å
226	H	97.9	Very high	95.4	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.019	15%	0.149	C	C	.	.	S	Bend	trans	-88.9	-26.3	-177.5	-62.9	82.2	0	0	0	112.3	F168 Y224 F375 S377 K378 N401	F168-H226 HydrophobicContact CB-CB 4.49Å; F168-H226 AromaticContact CD1-CD2 3.66Å; F168-H226 AromaticContact CD2-CD2 3.75Å; F168-H226 AromaticContact CD2-NE2 3.55Å; F168-H226 AromaticContact CE2-NE2 3.62Å; F168-H226 AromaticContact CG-CD2 3.51Å; F168-H226 AromaticContact CG-NE2 3.84Å; F168-H226 AromaticContact CZ-NE2 3.94Å; Y224-H226 AromaticContact CE2-CE1 3.81Å; H226-F375 PolarHBondContact NE2-O 3.4Å; H226-S377 VanDerWaalsContact CB-O 3.29Å; H226-S377 WeakPolarHBondContact CB-O 3.42Å; H226-S377 PolarHBondContact ND1-O 2.87Å; H226-K378 HydrophobicContact CB-CG 3.83Å; H226-N401 PolarHBondContact CE1-OD1 3.29Å
227	V	98.3	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.			trans	-123.4	131.8	171.7	178	0	0	0	0	109	R225 F229 Y260 A275 K378 T380 M464	R225-V227 VanDerWaalsContact CD-O 3.26Å; R225-V227 WeakPolarHBondContact CD-O 3.44Å; R225-V227 WeakPolarHBondContact CG-O 3.27Å; V227-F229 WeakPolarHBondContact CG1-O 3.5Å; V227-Y260 HydrophobicContact CG2-CD1 4.11Å; V227-Y260 HydrophobicContact CG2-CE1 3.83Å; V227-A275 HydrophobicContact CG1-CB 3.92Å; V227-K378 HydrophobicContact CG2-CB 3.91Å; V227-K378 HydrophobicContact CG2-CG 4.24Å; V227-K378 WeakPolarHBondContact CG2-O 3.49Å; V227-T380 HydrophobicContact CB-CG2 3.88Å; V227-T380 HydrophobicContact CG1-CG2 3.89Å; V227-T380 HydrophobicContact CG2-CG2 4.03Å; V227-M464 HydrophobicContact CB-SD 4.43Å; V227-M464 HydrophobicContact CG1-SD 4.47Å
228	D	97.6	Very high	95.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.13	C	C	.	.			trans	-99.2	-19.6	-175.3	-68.4	-75	0	0	0	114.2	S167 R225 F263 A272 I273 P465	S167-D228 WeakPolarHBondContact CB-OD2 3.41Å; R225-D228 VanDerWaalsContact CZ-CA 3.5Å; R225-D228 IonicContact CZ-OD1 3.51Å; R225-D228 IonicContact NE-OD1 2.86Å; R225-D228 PolarHBondContact NE-OD1 3.29Å; R225-D228 VanDerWaalsContact NH2-CA 3.35Å; R225-D228 PolarHBondContact NH2-O 3.4Å; R225-D228 IonicContact NH2-OD1 2.89Å; R225-D228 PolarHBondContact NH2-OD1 3.1Å; R225-D228 VanDerWaalsContact NH2-OD1 3.12Å; D228-F263 HydrophobicContact CB-CD1 4.41Å; D228-A272 HydrophobicContact CB-CB 3.8Å; D228-A272 WeakPolarHBondContact OD2-CA 3.43Å; D228-A272 VanDerWaalsContact OD2-CB 3.32Å; D228-A272 WeakPolarHBondContact OD2-CB 3.49Å; D228-I273 WeakPolarHBondContact CA-O 3.24Å; D228-I273 WeakPolarHBondContact CB-O 3.45Å; D228-I273 PolarHBondContact N-O 3.15Å; D228-I273 PolarHBondContact OD2-N 3.45Å; D228-P465 WeakPolarHBondContact O-CD 3.38Å
229	F	97.5	Very high	95.5	Very high	29 Å²	29	24.6 Å²	24.6	13%	0.127	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	137.7	-173.7	-167.4	-86.3	0	0	0	110.5	V227 Q231 F263 K274 A275 P465 A467	V227-F229 WeakPolarHBondContact CG1-O 3.5Å; F229-Q231 HydrophobicContact CD1-CB 3.85Å; F229-Q231 HydrophobicContact CE1-CB 3.69Å; F229-Q231 HydrophobicContact CE1-CG 4.02Å; F229-F263 HydrophobicContact CB-CD1 3.99Å; F229-F263 HydrophobicContact CB-CD2 4.47Å; F229-F263 HydrophobicContact CB-CE1 3.99Å; F229-F263 HydrophobicContact CB-CE2 4.47Å; F229-F263 HydrophobicContact CB-CG 4.24Å; F229-F263 HydrophobicContact CB-CZ 4.24Å; F229-F263 HydrophobicContact CD2-CE1 4.06Å; F229-F263 HydrophobicContact CD2-CE2 4.25Å; F229-F263 AromaticContact CD2-CZ 3.72Å; F229-F263 HydrophobicContact CD2-CZ 3.72Å; F229-F263 HydrophobicContact CE2-CZ 4.32Å; F229-F263 HydrophobicContact CG-CE1 4.24Å; F229-F263 HydrophobicContact CG-CE2 4.19Å; F229-F263 HydrophobicContact CG-CZ 4.02Å; F229-K274 HydrophobicContact CB-CB 3.92Å; F229-K274 HydrophobicContact CD1-CB 4.33Å; F229-K274 CarbonylContact O-C 3.31Å; F229-K274 WeakPolarHBondContact O-CA 3.03Å; F229-K274 WeakPolarHBondContact O-CB 3.45Å; F229-A275 PolarHBondContact O-N 3.37Å; F229-P465 HydrophobicContact CD2-CB 4.07Å; F229-P465 HydrophobicContact CD2-CG 3.61Å; F229-P465 HydrophobicContact CE2-CB 4.07Å; F229-P465 HydrophobicContact CE2-CG 4.1Å; F229-A467 HydrophobicContact CE1-CB 4.45Å; F229-A467 HydrophobicContact CE2-CB 4.47Å; F229-A467 HydrophobicContact CZ-CB 3.64Å
230	V	98.4	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.3	168.3	-176.8	0	0	0	0	109.2	F232 A275 V277 T380 V382 A396 M464 P465 T466 A467	V230-F232 HydrophobicContact CG1-CE2 4.39Å; V230-F232 HydrophobicContact CG1-CZ 4.35Å; V230-A275 WeakPolarHBondContact CA-O 3.32Å; V230-A275 HydrophobicContact CG2-CB 4.43Å; V230-V277 HydrophobicContact CG1-CG2 3.87Å; V230-T380 HydrophobicContact CG2-CG2 4.01Å; V230-V382 HydrophobicContact CG1-CG2 4.14Å; V230-V382 HydrophobicContact CG2-CG2 4.48Å; V230-A396 HydrophobicContact CB-CB 4.28Å; V230-A396 HydrophobicContact CG2-CB 3.64Å; V230-M464 HydrophobicContact CG2-CG 4.35Å; V230-P465 PolarHBondContact N-O 3.31Å; V230-P465 VanDerWaalsContact N-O 3.08Å; V230-T466 HydrophobicContact CB-CG2 3.82Å; V230-T466 HydrophobicContact CG2-CG2 4.37Å; V230-T466 WeakPolarHBondContact O-CA 3.48Å; V230-A467 PolarHBondContact O-N 3.33Å; V230-A467 VanDerWaalsContact O-N 3.1Å
231	Q	97.6	Very high	95.8	Very high	16 Å²	16	22.7 Å²	22.7	8%	0.075	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.2	-177.1	-165.8	-171.1	-86.3	0	0	110.3	F229 K274 A275 V276 V277 A467	F229-Q231 HydrophobicContact CD1-CB 3.85Å; F229-Q231 HydrophobicContact CE1-CB 3.69Å; F229-Q231 HydrophobicContact CE1-CG 4.02Å; Q231-K274 HydrophobicContact CB-CD 4.47Å; Q231-A275 PolarHBondContact N-O 2.95Å; Q231-V276 HydrophobicContact CB-CG2 4.48Å; Q231-V276 CarbonylContact O-C 3.59Å; Q231-V276 WeakPolarHBondContact O-CA 3.49Å; Q231-V277 PolarHBondContact O-N 3.3Å; Q231-A467 WeakPolarHBondContact CA-O 3.4Å
232	F	98.1	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.6	168.9	-63.4	-76.6	0	0	0	109.1	V230 N234 M238 M256 V277 I280 I321 V382 A467 F468 P469	V230-F232 HydrophobicContact CG1-CE2 4.39Å; V230-F232 HydrophobicContact CG1-CZ 4.35Å; F232-N234 PolarHBondContact O-N 3.44Å; F232-M238 HydrophobicContact CB-CE 4.16Å; F232-M238 HydrophobicContact CD1-CE 3.08Å; F232-M238 HydrophobicContact CD1-SD 4.49Å; F232-M238 HydrophobicContact CD2-CE 4.07Å; F232-M238 HydrophobicContact CE1-CE 3.29Å; F232-M238 HydrophobicContact CE1-SD 4.22Å; F232-M238 HydrophobicContact CE2-CE 4.24Å; F232-M238 HydrophobicContact CG-CE 3.5Å; F232-M238 HydrophobicContact CZ-CE 3.87Å; F232-M238 HydrophobicContact CZ-SD 4.35Å; F232-M256 HydrophobicContact CE1-SD 3.77Å; F232-M256 HydrophobicContact CZ-SD 3.94Å; F232-V277 HydrophobicContact CD1-CB 3.59Å; F232-V277 HydrophobicContact CD1-CG1 3.74Å; F232-V277 HydrophobicContact CD1-CG2 4.02Å; F232-V277 HydrophobicContact CE1-CB 3.9Å; F232-V277 HydrophobicContact CE1-CG1 3.85Å; F232-V277 HydrophobicContact CE1-CG2 3.91Å; F232-V277 HydrophobicContact CG-CB 4.5Å; F232-I280 HydrophobicContact CE1-CD1 4.49Å; F232-I321 HydrophobicContact CE1-CD1 4.36Å; F232-I321 HydrophobicContact CZ-CD1 4.05Å; F232-V382 HydrophobicContact CZ-CG1 4.15Å; F232-V382 HydrophobicContact CZ-CG2 4.34Å; F232-A467 PolarHBondContact N-O 3.09Å; F232-A467 VanDerWaalsContact N-O 3.11Å; F232-F468 HydrophobicContact CB-CD1 3.66Å; F232-F468 HydrophobicContact CB-CE1 3.44Å; F232-F468 VanDerWaalsContact CB-CE1 3.44Å; F232-F468 HydrophobicContact CB-CZ 4.26Å; F232-F468 HydrophobicContact CD2-CE1 4.46Å; F232-F468 HydrophobicContact CD2-CZ 4.5Å; F232-F468 HydrophobicContact CG-CE1 4.22Å; F232-P469 WeakPolarHBondContact O-CD 3.41Å
233	E	96.4	Very high	96	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.105	C	C	.	.	S	Bend	trans	-60.3	-33.2	-170.6	-63.5	-168.5	158.1	0	0	113.7	L237 R259 V276 V277 A278 P469 P472 F473 T475	E233-L237 HydrophobicContact CB-CD1 4.46Å; E233-R259 IonicContact OE1-CZ 2.78Å; E233-R259 IonicContact OE1-NH1 2.75Å; E233-R259 PolarHBondContact OE1-NH1 3.12Å; E233-R259 IonicContact OE1-NH2 4Å; E233-V276 HydrophobicContact CG-CG1 3.5Å; E233-V277 WeakPolarHBondContact CG-O 3.38Å; E233-V277 PolarHBondContact N-O 3.03Å; E233-V277 VanDerWaalsContact N-O 3.15Å; E233-A278 HydrophobicContact CG-CB 4.41Å; E233-P469 VanDerWaalsContact O-CG 3.3Å; E233-P469 WeakPolarHBondContact O-CG 3.11Å; E233-P472 WeakPolarHBondContact O-CA 3.33Å; E233-F473 CarbonylContact C-O 3.43Å; E233-F473 HydrophobicContact CB-CD1 4.32Å; E233-F473 HydrophobicContact CB-CD2 4.09Å; E233-F473 HydrophobicContact CB-CE1 4.1Å; E233-F473 HydrophobicContact CB-CE2 3.92Å; E233-F473 HydrophobicContact CB-CG 4.32Å; E233-F473 HydrophobicContact CB-CZ 3.92Å; E233-F473 VanDerWaalsContact CB-O 3.3Å; E233-F473 WeakPolarHBondContact CB-O 3.38Å; E233-F473 HydrophobicContact CG-CD2 3.96Å; E233-F473 HydrophobicContact CG-CE1 4.1Å; E233-F473 HydrophobicContact CG-CE2 3.34Å; E233-F473 HydrophobicContact CG-CZ 3.42Å; E233-F473 VanDerWaalsContact CG-CZ 3.42Å; E233-F473 PolarHBondContact O-N 2.98Å; E233-F473 WeakPolarHBondContact OE1-CE2 3.32Å; E233-T475 WeakPolarHBondContact OE1-CB 3.28Å; E233-T475 PolarHBondContact OE1-OG1 3.29Å; E233-T475 WeakPolarHBondContact OE2-CB 3.44Å; E233-T475 PolarHBondContact OE2-N 3Å; E233-T475 PolarHBondContact OE2-OG1 2.97Å
234	N	95.1	Very high	96.1	Very high	7 Å²	7	16.7 Å²	16.7	4%	0.037	9%	0.087	C	C	.	.			trans	-156.3	158.8	-179.1	58.8	78.5	0	0	0	111.5	F232 Q236 L237 F468 P472 F473 Y474	F232-N234 PolarHBondContact O-N 3.44Å; N234-Q236 VanDerWaalsContact C-N 3.27Å; N234-Q236 PolarHBondContact O-N 3.38Å; N234-Q236 VanDerWaalsContact OD1-CB 3.32Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.33Å; N234-Q236 PolarHBondContact OD1-N 3.42Å; N234-Q236 VanDerWaalsContact OD1-N 3.15Å; N234-L237 PolarHBondContact OD1-N 3.1Å; N234-F468 WeakPolarHBondContact O-CE1 3.27Å; N234-P472 HydrophobicContact CB-CB 3.95Å; N234-F473 PolarHBondContact ND2-O 3.24Å; N234-Y474 HydrophobicContact CB-CD1 4.19Å; N234-Y474 HydrophobicContact CB-CE1 3.56Å; N234-Y474 HydrophobicContact CB-CE2 4.3Å; N234-Y474 WeakPolarHBondContact ND2-CD1 3.18Å
235	P	94	Very high	96	Very high	46 Å²	46	16.4 Å²	16.4	30%	0.299	9%	0.086	S	C	.	.	H	α-helix	trans	-65.6	-22.5	178	-24.1	35.4	0	0	0	115	L237 M238 N239 F468	P235-L237 VanDerWaalsContact C-N 3.26Å; P235-L237 PolarHBondContact O-N 3.31Å; P235-M238 PolarHBondContact O-N 3.48Å; P235-M238 VanDerWaalsContact O-N 3.12Å; P235-N239 PolarHBondContact O-N 3.2Å; P235-N239 PolarHBondContact O-ND2 3.14Å; P235-F468 HydrophobicContact CG-CD1 4.3Å
236	Q	93.2	Very high	95.8	Very high	35 Å²	35	16.8 Å²	16.8	16%	0.164	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-38.6	-178	-60.4	-172.1	-49.5	0	0	111.1	N234 M238 N239 T240 Y474 F479	N234-Q236 VanDerWaalsContact C-N 3.27Å; N234-Q236 PolarHBondContact O-N 3.38Å; N234-Q236 VanDerWaalsContact OD1-CB 3.32Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.33Å; N234-Q236 PolarHBondContact OD1-N 3.42Å; N234-Q236 VanDerWaalsContact OD1-N 3.15Å; Q236-M238 VanDerWaalsContact C-N 3.26Å; Q236-M238 PolarHBondContact O-N 2.85Å; Q236-N239 PolarHBondContact O-N 3.4Å; Q236-T240 WeakPolarHBondContact O-CB 3.42Å; Q236-T240 PolarHBondContact O-N 3.28Å; Q236-T240 PolarHBondContact O-OG1 3.3Å; Q236-T240 VanDerWaalsContact O-OG1 3.07Å; Q236-Y474 HydrophobicContact CG-CE1 4.36Å; Q236-F479 PolarHBondContact NE2-O 3.15Å
237	L	95.4	Very high	95.5	Very high	28 Å²	28	20.3 Å²	20.3	15%	0.147	10%	0.104	C	C	.	.	H	α-helix	trans	-51.9	-46.3	175.1	-61.6	177.1	0	0	0	112.2	E233 N234 P235 F241 V277 A278	E233-L237 HydrophobicContact CB-CD1 4.46Å; N234-L237 PolarHBondContact OD1-N 3.1Å; P235-L237 VanDerWaalsContact C-N 3.26Å; P235-L237 PolarHBondContact O-N 3.31Å; L237-F241 WeakPolarHBondContact O-CB 3.39Å; L237-F241 PolarHBondContact O-N 3.12Å; L237-F241 VanDerWaalsContact O-N 3.08Å; L237-V277 WeakPolarHBondContact CD1-O 3.21Å; L237-A278 WeakPolarHBondContact CD2-O 3.35Å
238	M	94.7	Very high	95.3	Very high	3 Å²	3	22 Å²	22	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-80.8	-34	-174.4	-131.5	45.8	46.1	0	0	112	F232 P235 Q236 F241 L242 I280 I321 F394 F468	F232-M238 HydrophobicContact CB-CE 4.16Å; F232-M238 HydrophobicContact CD1-CE 3.08Å; F232-M238 HydrophobicContact CD1-SD 4.49Å; F232-M238 HydrophobicContact CD2-CE 4.07Å; F232-M238 HydrophobicContact CE1-CE 3.29Å; F232-M238 HydrophobicContact CE1-SD 4.22Å; F232-M238 HydrophobicContact CE2-CE 4.24Å; F232-M238 HydrophobicContact CG-CE 3.5Å; F232-M238 HydrophobicContact CZ-CE 3.87Å; F232-M238 HydrophobicContact CZ-SD 4.35Å; P235-M238 PolarHBondContact O-N 3.48Å; P235-M238 VanDerWaalsContact O-N 3.12Å; Q236-M238 VanDerWaalsContact C-N 3.26Å; Q236-M238 PolarHBondContact O-N 2.85Å; M238-F241 PolarHBondContact O-N 3.37Å; M238-F241 HydrophobicContact SD-CD1 4.39Å; M238-L242 VanDerWaalsContact O-CB 3.26Å; M238-L242 WeakPolarHBondContact O-CB 3.21Å; M238-L242 WeakPolarHBondContact O-CG 3.13Å; M238-L242 PolarHBondContact O-N 3.44Å; M238-I280 HydrophobicContact CE-CD1 3.52Å; M238-I280 HydrophobicContact SD-CD1 3.79Å; M238-I321 HydrophobicContact SD-CD1 3.74Å; M238-F394 HydrophobicContact CB-CZ 4.32Å; M238-F394 HydrophobicContact CG-CD1 4.32Å; M238-F394 HydrophobicContact CG-CE1 3.32Å; M238-F394 HydrophobicContact CG-CE2 4.21Å; M238-F394 HydrophobicContact CG-CZ 3.27Å; M238-F394 HydrophobicContact SD-CD1 4.5Å; M238-F394 HydrophobicContact SD-CE1 3.89Å; M238-F394 HydrophobicContact SD-CZ 4.41Å; M238-F468 HydrophobicContact CB-CE1 4.34Å; M238-F468 HydrophobicContact CB-CZ 3.96Å; M238-F468 HydrophobicContact CG-CZ 4.24Å
239	N	93.3	Very high	95.1	Very high	52 Å²	52	25 Å²	25	28%	0.278	14%	0.135	S	C	.	.	H	α-helix	trans	-61.5	-45.2	172.1	-76.4	-28.3	0	0	0	111.7	P235 Q236 D243 R246 L627	P235-N239 PolarHBondContact O-N 3.2Å; P235-N239 PolarHBondContact O-ND2 3.14Å; Q236-N239 PolarHBondContact O-N 3.4Å; N239-D243 WeakPolarHBondContact O-CB 3.38Å; N239-D243 PolarHBondContact O-N 3.08Å; N239-R246 PolarHBondContact O-NH1 2.93Å; N239-L627 WeakPolarHBondContact OD1-CD1 3.38Å
240	T	94	Very high	95	Very high	48 Å²	48	24.5 Å²	24.5	29%	0.294	14%	0.135	S	C	.	.	H	α-helix	trans	-63.9	-45	176.9	-62.3	0	0	0	0	111.5	Q236 D243 I491 R494	Q236-T240 WeakPolarHBondContact O-CB 3.42Å; Q236-T240 PolarHBondContact O-N 3.28Å; Q236-T240 PolarHBondContact O-OG1 3.3Å; Q236-T240 VanDerWaalsContact O-OG1 3.07Å; T240-D243 WeakPolarHBondContact O-CB 3.2Å; T240-D243 PolarHBondContact O-N 2.91Å; T240-I491 HydrophobicContact CG2-CD1 3.59Å; T240-I491 HydrophobicContact CG2-CG1 3.67Å; T240-R494 PolarHBondContact O-NH1 2.83Å; T240-R494 PolarHBondContact O-NH2 3.43Å
241	F	96.6	Very high	94.9	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-47.9	178.1	-178	-116.3	0	0	0	112.5	L237 M238 D243 R252 I280 E282 I321 T323 V384 R494	L237-F241 WeakPolarHBondContact O-CB 3.39Å; L237-F241 PolarHBondContact O-N 3.12Å; L237-F241 VanDerWaalsContact O-N 3.08Å; M238-F241 PolarHBondContact O-N 3.37Å; M238-F241 HydrophobicContact SD-CD1 4.39Å; F241-D243 VanDerWaalsContact C-N 3.27Å; F241-D243 PolarHBondContact O-N 2.85Å; F241-R252 HydrophobicContact CE2-CB 4.29Å; F241-R252 HydrophobicContact CE2-CG 4.05Å; F241-R252 HydrophobicContact CZ-CB 4.27Å; F241-I280 HydrophobicContact CB-CD1 3.9Å; F241-I280 HydrophobicContact CD1-CD1 4.39Å; F241-I280 HydrophobicContact CD2-CG2 3.64Å; F241-I280 HydrophobicContact CE2-CG2 3.98Å; F241-I280 HydrophobicContact CG-CD1 4.04Å; F241-I280 HydrophobicContact CG-CG2 4.21Å; F241-E282 HydrophobicContact CD2-CG 4.43Å; F241-E282 HydrophobicContact CE2-CG 4.45Å; F241-I321 HydrophobicContact CD1-CD1 4.14Å; F241-I321 HydrophobicContact CE1-CD1 3.97Å; F241-I321 HydrophobicContact CE1-CG1 3.86Å; F241-I321 HydrophobicContact CE1-CG2 4.07Å; F241-I321 HydrophobicContact CE2-CG2 4.28Å; F241-I321 HydrophobicContact CZ-CG1 4.36Å; F241-I321 HydrophobicContact CZ-CG2 3.89Å; F241-T323 HydrophobicContact CE1-CG2 3.72Å; F241-T323 HydrophobicContact CZ-CG2 4.17Å; F241-V384 HydrophobicContact CE1-CG2 4.16Å; F241-R494 PolarHBondContact O-NH2 3.22Å
242	L	96.1	Very high	94.9	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-70.9	-18.4	-179.6	-75.6	173.9	0	0	0	114.2	M238 Y244 W245 R246 T323 L325 V384 I392 F394	M238-L242 VanDerWaalsContact O-CB 3.26Å; M238-L242 WeakPolarHBondContact O-CB 3.21Å; M238-L242 WeakPolarHBondContact O-CG 3.13Å; M238-L242 PolarHBondContact O-N 3.44Å; L242-Y244 PolarHBondContact O-N 2.98Å; L242-W245 PolarHBondContact O-N 2.93Å; L242-W245 VanDerWaalsContact O-N 3.11Å; L242-R246 WeakPolarHBondContact O-CG 3.23Å; L242-R246 PolarHBondContact O-N 2.81Å; L242-T323 HydrophobicContact CD2-CG2 4.27Å; L242-L325 HydrophobicContact CD2-CD1 3.65Å; L242-V384 HydrophobicContact CD2-CG1 3.93Å; L242-I392 HydrophobicContact CD1-CD1 4.22Å; L242-I392 HydrophobicContact CD1-CG2 4.01Å; L242-F394 HydrophobicContact CD1-CZ 4.38Å
243	D	93.9	Very high	94.9	Very high	29 Å²	29	24.6 Å²	24.6	16%	0.155	14%	0.135	C	C	.	.	H	α-helix	trans	-56.6	-36.7	177.6	-171.2	41.6	0	0	0	112.3	N239 T240 F241 W245 R246 Q247	N239-D243 WeakPolarHBondContact O-CB 3.38Å; N239-D243 PolarHBondContact O-N 3.08Å; T240-D243 WeakPolarHBondContact O-CB 3.2Å; T240-D243 PolarHBondContact O-N 2.91Å; F241-D243 VanDerWaalsContact C-N 3.27Å; F241-D243 PolarHBondContact O-N 2.85Å; D243-W245 PolarHBondContact O-N 2.7Å; D243-R246 PolarHBondContact O-N 3.1Å; D243-Q247 WeakPolarHBondContact O-CG 3.27Å; D243-Q247 PolarHBondContact O-N 2.58Å; D243-Q247 VanDerWaalsContact O-N 3.07Å; D243-Q247 PolarHBondContact OD1-NE2 3.07Å; D243-Q247 PolarHBondContact OD2-NE2 2.8Å
244	Y	95.6	Very high	95	Very high	11 Å²	11	24.5 Å²	24.5	4%	0.043	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-49.3	174.4	-176.5	-86.9	0	0	0	111.9	L242 R246 Q247 T248 C250 R252 S287 R494 C496 L497	L242-Y244 PolarHBondContact O-N 2.98Å; Y244-R246 PolarHBondContact O-N 2.91Å; Y244-Q247 PolarHBondContact O-N 2.77Å; Y244-T248 HydrophobicContact CD1-CG2 4.49Å; Y244-T248 WeakPolarHBondContact CD1-OG1 3.23Å; Y244-T248 HydrophobicContact CE1-CG2 4.18Å; Y244-T248 VanDerWaalsContact CE1-OG1 3.31Å; Y244-T248 WeakPolarHBondContact CE1-OG1 3.16Å; Y244-T248 HydrophobicContact CE2-CG2 4.21Å; Y244-T248 WeakPolarHBondContact O-CB 3.36Å; Y244-T248 WeakPolarHBondContact O-CG2 3.17Å; Y244-T248 PolarHBondContact O-N 2.81Å; Y244-T248 PolarHBondContact O-OG1 3.11Å; Y244-C250 HydrophobicContact CE1-CB 3.96Å; Y244-R252 HydrophobicContact CD1-CB 4.04Å; Y244-R252 HydrophobicContact CD1-CG 4.01Å; Y244-R252 HydrophobicContact CG-CG 4.25Å; Y244-S287 WeakPolarHBondContact OH-CB 3.49Å; Y244-R494 HydrophobicContact CD2-CG 3.88Å; Y244-R494 HydrophobicContact CE2-CG 4.28Å; Y244-C496 PolarHBondContact OH-SG 3.3Å; Y244-L497 HydrophobicContact CD2-CD1 3.81Å; Y244-L497 HydrophobicContact CE2-CD1 4.21Å
245	W	95.2	Very high	95.2	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-39.1	179.4	176.7	86.6	0	0	0	111.3	L242 D243 Q247 T248 S249 L325 A327 V336 I392	L242-W245 PolarHBondContact O-N 2.93Å; L242-W245 VanDerWaalsContact O-N 3.11Å; D243-W245 PolarHBondContact O-N 2.7Å; W245-Q247 VanDerWaalsContact C-N 3.28Å; W245-Q247 PolarHBondContact O-N 2.71Å; W245-T248 PolarHBondContact O-N 3.44Å; W245-S249 VanDerWaalsContact O-CA 3.23Å; W245-S249 WeakPolarHBondContact O-CA 3.45Å; W245-S249 PolarHBondContact O-N 3.34Å; W245-L325 HydrophobicContact CD2-CB 4.02Å; W245-L325 HydrophobicContact CD2-CD1 3.8Å; W245-L325 HydrophobicContact CE3-CD1 4.04Å; W245-L325 HydrophobicContact CG-CB 4.37Å; W245-L325 HydrophobicContact CG-CD1 4.09Å; W245-L325 HydrophobicContact CH2-CB 4.4Å; W245-L325 HydrophobicContact CZ2-CB 3.61Å; W245-L325 HydrophobicContact CZ3-CD1 4.49Å; W245-L325 PolarHBondContact NE1-O 3.41Å; W245-L325 VanDerWaalsContact NE1-O 3.07Å; W245-A327 HydrophobicContact CZ2-CB 4.48Å; W245-V336 HydrophobicContact CH2-CG1 3.65Å; W245-V336 HydrophobicContact CZ2-CG1 4.17Å; W245-V336 HydrophobicContact CZ3-CG1 4.43Å; W245-I392 HydrophobicContact CZ3-CD1 4.4Å
246	R	92	Very high	95.4	Very high	28 Å²	28	22.3 Å²	22.3	11%	0.106	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-37	177.6	-69.4	170.3	-175.9	142.6	1	112.5	N239 L242 D243 Y244 Y623	N239-R246 PolarHBondContact O-NH1 2.93Å; L242-R246 WeakPolarHBondContact O-CG 3.23Å; L242-R246 PolarHBondContact O-N 2.81Å; D243-R246 PolarHBondContact O-N 3.1Å; Y244-R246 PolarHBondContact O-N 2.91Å; R246-Y623 HydrophobicContact CG-CG 4.4Å
247	Q	92.1	Very high	95.7	Very high	79 Å²	79	20.6 Å²	20.6	37%	0.369	11%	0.113	S	C	.	.	H	α-helix	trans	-83.2	-33.7	-179.3	-69.5	178.9	55.2	0	0	113.4	D243 Y244 W245 L497	D243-Q247 WeakPolarHBondContact O-CG 3.27Å; D243-Q247 PolarHBondContact O-N 2.58Å; D243-Q247 VanDerWaalsContact O-N 3.07Å; D243-Q247 PolarHBondContact OD1-NE2 3.07Å; D243-Q247 PolarHBondContact OD2-NE2 2.8Å; Y244-Q247 PolarHBondContact O-N 2.77Å; W245-Q247 VanDerWaalsContact C-N 3.28Å; W245-Q247 PolarHBondContact O-N 2.71Å; Q247-L497 HydrophobicContact CB-CD1 4.37Å; Q247-L497 HydrophobicContact CB-CD2 4Å
248	T	94	Very high	95.8	Very high	34 Å²	34	19.3 Å²	19.3	21%	0.209	11%	0.106	C	C	.	.	H	α-helix	trans	-109.8	-17.3	-170.2	63.7	0	0	0	0	114.6	Y244 W245 C250 L497	Y244-T248 HydrophobicContact CD1-CG2 4.49Å; Y244-T248 WeakPolarHBondContact CD1-OG1 3.23Å; Y244-T248 HydrophobicContact CE1-CG2 4.18Å; Y244-T248 VanDerWaalsContact CE1-OG1 3.31Å; Y244-T248 WeakPolarHBondContact CE1-OG1 3.16Å; Y244-T248 HydrophobicContact CE2-CG2 4.21Å; Y244-T248 WeakPolarHBondContact O-CB 3.36Å; Y244-T248 WeakPolarHBondContact O-CG2 3.17Å; Y244-T248 PolarHBondContact O-N 2.81Å; Y244-T248 PolarHBondContact O-OG1 3.11Å; W245-T248 PolarHBondContact O-N 3.44Å; T248-C250 PolarHBondContact O-N 3.37Å; T248-C250 VanDerWaalsContact O-N 3.13Å; T248-C250 PolarHBondContact O-SG 2.76Å; T248-C250 VanDerWaalsContact O-SG 3.36Å; T248-C250 WeakPolarHBondContact OG1-CB 3.42Å; T248-C250 PolarHBondContact OG1-N 2.83Å; T248-L497 HydrophobicContact CG2-CD1 4.17Å; T248-L497 HydrophobicContact CG2-CD2 3.5Å; T248-L497 VanDerWaalsContact CG2-CD2 3.5Å; T248-L497 HydrophobicContact CG2-CG 3.98Å
249	S	93	Very high	95.8	Very high	64 Å²	64	20.7 Å²	20.7	45%	0.448	11%	0.111	S	C	.	.			trans	52.9	21.5	-163.7	-55.9	0	0	0	0	114	W245 P289	W245-S249 VanDerWaalsContact O-CA 3.23Å; W245-S249 WeakPolarHBondContact O-CA 3.45Å; W245-S249 PolarHBondContact O-N 3.34Å; S249-P289 WeakPolarHBondContact O-CA 3.46Å; S249-P289 WeakPolarHBondContact O-CB 3.17Å
250	C	96.1	Very high	96.1	Very high	20 Å²	20	19.1 Å²	19.1	14%	0.135	10%	0.101	C	C	.	.			trans	-104.5	146.7	-179.5	-65.4	0	0	0	0	111.4	Y244 T248	Y244-C250 HydrophobicContact CE1-CB 3.96Å; T248-C250 PolarHBondContact O-N 3.37Å; T248-C250 VanDerWaalsContact O-N 3.13Å; T248-C250 PolarHBondContact O-SG 2.76Å; T248-C250 VanDerWaalsContact O-SG 3.36Å; T248-C250 WeakPolarHBondContact OG1-CB 3.42Å; T248-C250 PolarHBondContact OG1-N 2.83Å
251	Q	97	Very high	96.1	Very high	5 Å²	5	19 Å²	19	2%	0.023	10%	0.099	C	C	.	.			trans	-71.6	153.2	179.1	-52.9	-48.7	-30.5	0	0	111.9	S287 T288 P289 V292 T323 L325	Q251-S287 WeakPolarHBondContact O-CB 3.42Å; Q251-S287 PolarHBondContact O-OG 2.65Å; Q251-T288 PolarHBondContact N-O 3.06Å; Q251-P289 PolarHBondContact NE2-O 2.71Å; Q251-V292 HydrophobicContact CB-CB 4.03Å; Q251-V292 HydrophobicContact CB-CG1 4.12Å; Q251-T323 WeakPolarHBondContact CA-OG1 3.37Å; Q251-T323 PolarHBondContact OE1-O 2.84Å; Q251-T323 PolarHBondContact OE1-OG1 2.94Å; Q251-L325 PolarHBondContact NE2-O 2.88Å
252	R	97.6	Very high	96.1	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.015	11%	0.11	C	C	.	.			trans	-141.8	146.4	-174.2	-156.9	66.6	173.8	172.1	0.5	112.2	F241 Y244 E282 S287 F322 T323 E492 N493	F241-R252 HydrophobicContact CE2-CB 4.29Å; F241-R252 HydrophobicContact CE2-CG 4.05Å; F241-R252 HydrophobicContact CZ-CB 4.27Å; Y244-R252 HydrophobicContact CD1-CB 4.04Å; Y244-R252 HydrophobicContact CD1-CG 4.01Å; Y244-R252 HydrophobicContact CG-CG 4.25Å; R252-E282 IonicContact CZ-OE2 3.54Å; R252-E282 VanDerWaalsContact CZ-OE2 3.26Å; R252-E282 IonicContact NE-OE2 2.63Å; R252-E282 PolarHBondContact NE-OE2 3.02Å; R252-E282 IonicContact NH2-OE2 3.3Å; R252-E282 PolarHBondContact NH2-OE2 3.23Å; R252-S287 PolarHBondContact NH1-OG 2.92Å; R252-F322 CarbonylContact O-C 3.53Å; R252-F322 WeakPolarHBondContact O-CA 3.3Å; R252-T323 PolarHBondContact N-OG1 2.74Å; R252-T323 PolarHBondContact O-N 3.38Å; R252-E492 PolarHBondContact NH2-O 3.1Å; R252-N493 PolarHBondContact NH1-O 3.45Å; R252-N493 PolarHBondContact NH2-O 2.95Å
253	I	98.4	Very high	96	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.3	172.7	-64.7	169	0	0	0	109	P283 Q285 V292 L294 W320 I321 F322	I253-P283 HydrophobicContact CG2-CG 4.34Å; I253-Q285 PolarHBondContact O-NE2 2.86Å; I253-V292 HydrophobicContact CB-CG2 4.44Å; I253-V292 HydrophobicContact CD1-CB 4.32Å; I253-V292 HydrophobicContact CD1-CG1 3.84Å; I253-V292 HydrophobicContact CD1-CG2 3.69Å; I253-V292 HydrophobicContact CG1-CB 4.34Å; I253-V292 HydrophobicContact CG1-CG1 3.73Å; I253-V292 HydrophobicContact CG1-CG2 3.67Å; I253-L294 HydrophobicContact CB-CD2 4.41Å; I253-L294 HydrophobicContact CD1-CD1 4.46Å; I253-L294 HydrophobicContact CD1-CD2 4.08Å; I253-L294 HydrophobicContact CD1-CG 3.87Å; I253-L294 HydrophobicContact CG2-CD2 4.07Å; I253-W320 HydrophobicContact CD1-CZ3 4.43Å; I253-W320 HydrophobicContact CG2-CE3 4.07Å; I253-I321 CarbonylContact C-O 3.37Å; I253-I321 WeakPolarHBondContact CA-O 3.42Å; I253-F322 HydrophobicContact CG1-CB 3.91Å
254	G	98.3	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156	167.4	0	0	0	0	0	111.5	Y281 W320 I321	G254-Y281 CarbonylContact C-O 3.47Å; G254-Y281 VanDerWaalsContact CA-O 3.3Å; G254-Y281 WeakPolarHBondContact CA-O 3.39Å; G254-W320 CarbonylContact O-C 3.57Å; G254-W320 WeakPolarHBondContact O-CA 3.43Å; G254-I321 PolarHBondContact N-O 2.92Å; G254-I321 PolarHBondContact O-N 3.17Å
255	I	98.5	Very high	95.7	Very high	6 Å²	6	28 Å²	28	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.9	169.7	-58.8	-55.7	0	0	0	108.6	L257 I280 Y281 P283 V301 L302 P317 W320	I255-L257 HydrophobicContact CG2-CD2 4.17Å; I255-L257 PolarHBondContact O-N 2.76Å; I255-I280 WeakPolarHBondContact O-CA 3.39Å; I255-Y281 PolarHBondContact N-O 3.39Å; I255-Y281 PolarHBondContact O-N 2.75Å; I255-P283 HydrophobicContact CG1-CG 4.45Å; I255-V301 HydrophobicContact CD1-CG1 3.74Å; I255-V301 HydrophobicContact CG1-CG1 3.62Å; I255-L302 HydrophobicContact CB-CD2 3.95Å; I255-L302 HydrophobicContact CB-CG 4.41Å; I255-L302 HydrophobicContact CG1-CD2 4.2Å; I255-L302 HydrophobicContact CG1-CG 4.41Å; I255-L302 HydrophobicContact CG2-CD1 3.85Å; I255-L302 HydrophobicContact CG2-CD2 3.92Å; I255-L302 HydrophobicContact CG2-CG 3.99Å; I255-P317 HydrophobicContact CG2-CB 4.45Å; I255-W320 HydrophobicContact CD1-CB 3.75Å
256	M	98.6	Very high	95.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.6	-179.8	-59.1	-171.1	-60.8	0	0	109.2	F232 V277 V318 G319 I321 T380 V382	F232-M256 HydrophobicContact CE1-SD 3.77Å; F232-M256 HydrophobicContact CZ-SD 3.94Å; M256-V277 HydrophobicContact CB-CG1 3.76Å; M256-V277 HydrophobicContact CB-CG2 4.01Å; M256-V277 HydrophobicContact CE-CG2 4.41Å; M256-V277 HydrophobicContact CG-CG1 4.07Å; M256-V277 HydrophobicContact CG-CG2 4.35Å; M256-V277 HydrophobicContact SD-CG1 4.32Å; M256-V277 HydrophobicContact SD-CG2 3.74Å; M256-V318 HydrophobicContact CB-CG2 4.03Å; M256-V318 WeakPolarHBondContact O-CG2 3.41Å; M256-V318 PolarHBondContact O-N 3.35Å; M256-G319 WeakPolarHBondContact CB-O 3.28Å; M256-G319 PolarHBondContact N-O 2.99Å; M256-G319 PolarHBondContact O-N 2.85Å; M256-I321 HydrophobicContact CG-CB 4Å; M256-I321 HydrophobicContact CG-CG2 3.88Å; M256-I321 HydrophobicContact SD-CB 4.02Å; M256-I321 HydrophobicContact SD-CG2 4.49Å; M256-T380 WeakPolarHBondContact CE-OG1 3.34Å; M256-V382 HydrophobicContact CE-CB 4.26Å; M256-V382 HydrophobicContact CE-CG2 3.54Å; M256-V382 HydrophobicContact SD-CB 4.19Å; M256-V382 HydrophobicContact SD-CG2 3.76Å
257	L	98.4	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.1	174	-54.1	174.2	0	0	0	109.4	I255 A278 V279 L302 V306 A310 Q316 P317 F525	I255-L257 HydrophobicContact CG2-CD2 4.17Å; I255-L257 PolarHBondContact O-N 2.76Å; L257-A278 PolarHBondContact O-N 3.4Å; L257-V279 HydrophobicContact CB-CB 4.21Å; L257-V279 PolarHBondContact N-O 3.47Å; L257-V279 PolarHBondContact O-N 3.11Å; L257-L302 HydrophobicContact CD2-CD1 3.79Å; L257-L302 HydrophobicContact CD2-CD2 4.48Å; L257-V306 HydrophobicContact CD1-CG1 4.39Å; L257-A310 HydrophobicContact CD1-CB 4.23Å; L257-Q316 WeakPolarHBondContact CA-O 3.19Å; L257-P317 HydrophobicContact CD2-CB 4.26Å; L257-P317 HydrophobicContact CD2-CG 4.09Å; L257-F525 HydrophobicContact CD1-CD1 4.38Å; L257-F525 HydrophobicContact CD1-CE1 3.49Å; L257-F525 VanDerWaalsContact CD1-CE1 3.49Å; L257-F525 HydrophobicContact CD1-CE2 3.91Å; L257-F525 HydrophobicContact CD1-CZ 3.2Å
258	G	97.7	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-153.8	-164.2	0	0	0	0	0	112.7	V276 L315 Q316	G258-V276 CarbonylContact C-O 3.49Å; G258-V276 WeakPolarHBondContact CA-O 3.38Å; G258-L315 CarbonylContact O-C 3.54Å; G258-L315 VanDerWaalsContact O-CA 3.32Å; G258-L315 WeakPolarHBondContact O-CA 3.45Å; G258-Q316 PolarHBondContact N-O 2.95Å; G258-Q316 PolarHBondContact O-N 3.13Å
259	R	96.2	Very high	94.7	Very high	33 Å²	33	30.8 Å²	30.8	13%	0.125	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	169.2	174.1	68.6	-169.2	-178.4	-72	-7.2	110.2	E233 D261 V276	E233-R259 IonicContact OE1-CZ 2.78Å; E233-R259 IonicContact OE1-NH1 2.75Å; E233-R259 PolarHBondContact OE1-NH1 3.12Å; E233-R259 IonicContact OE1-NH2 4Å; R259-D261 IonicContact CZ-OD2 2.69Å; R259-D261 VanDerWaalsContact CZ-OD2 3.25Å; R259-D261 IonicContact NE-OD1 2.72Å; R259-D261 PolarHBondContact NE-OD1 2.82Å; R259-D261 IonicContact NE-OD2 3.5Å; R259-D261 PolarHBondContact NE-OD2 2.89Å; R259-D261 IonicContact NH2-OD2 3.89Å; R259-D261 PolarHBondContact NH2-OD2 3.39Å; R259-V276 HydrophobicContact CG-CB 4.31Å; R259-V276 PolarHBondContact N-O 3.13Å; R259-V276 PolarHBondContact O-N 2.8Å
260	Y	97.9	Very high	94.8	Very high	18 Å²	18	28.7 Å²	28.7	7%	0.071	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130	171.1	-58.1	-67.6	0	0	0	109.6	V227 I273 K274 A275 Q316 V318 K378 F379	V227-Y260 HydrophobicContact CG2-CD1 4.11Å; V227-Y260 HydrophobicContact CG2-CE1 3.83Å; Y260-I273 HydrophobicContact CD1-CG2 4.35Å; Y260-K274 WeakPolarHBondContact CA-O 3.31Å; Y260-A275 HydrophobicContact CD1-CB 3.97Å; Y260-A275 HydrophobicContact CE1-CB 3.84Å; Y260-Q316 VanDerWaalsContact CD2-NE2 3.26Å; Y260-V318 HydrophobicContact CD1-CG1 4.37Å; Y260-V318 HydrophobicContact CE1-CB 4.01Å; Y260-V318 HydrophobicContact CE1-CG1 3.95Å; Y260-V318 HydrophobicContact CE2-CG1 4.17Å; Y260-V318 WeakPolarHBondContact OH-CA 3.49Å; Y260-V318 PolarHBondContact OH-O 3.26Å; Y260-K378 HydrophobicContact CD1-CB 4.33Å; Y260-K378 HydrophobicContact CD1-CD 4.36Å; Y260-K378 HydrophobicContact CD2-CB 4.39Å; Y260-K378 HydrophobicContact CD2-CD 4.06Å; Y260-K378 VanDerWaalsContact CD2-CE 3.47Å; Y260-K378 HydrophobicContact CE1-CB 3.71Å; Y260-K378 WeakPolarHBondContact CE1-O 3.48Å; Y260-K378 HydrophobicContact CE2-CB 3.79Å; Y260-K378 HydrophobicContact CE2-CD 4.28Å; Y260-K378 HydrophobicContact CG-CD 4.12Å; Y260-K378 VanDerWaalsContact CZ-CB 3.41Å; Y260-K378 WeakPolarHBondContact OH-CB 3.49Å; Y260-K378 PolarHBondContact OH-O 3.08Å; Y260-F379 PolarHBondContact OH-N 3.14Å
261	D	95.8	Very high	94.8	Very high	45 Å²	45	28.1 Å²	28.1	24%	0.241	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.4	179.2	-76.6	-18.7	0	0	0	110	R259 F263 K274 V276	R259-D261 IonicContact CZ-OD2 2.69Å; R259-D261 VanDerWaalsContact CZ-OD2 3.25Å; R259-D261 IonicContact NE-OD1 2.72Å; R259-D261 PolarHBondContact NE-OD1 2.82Å; R259-D261 IonicContact NE-OD2 3.5Å; R259-D261 PolarHBondContact NE-OD2 2.89Å; R259-D261 IonicContact NH2-OD2 3.89Å; R259-D261 PolarHBondContact NH2-OD2 3.39Å; D261-F263 PolarHBondContact O-N 3.06Å; D261-K274 HydrophobicContact CB-CG 4.08Å; D261-K274 PolarHBondContact N-O 2.78Å; D261-K274 PolarHBondContact O-N 3.28Å; D261-V276 HydrophobicContact CB-CG2 4.2Å
262	H	95.8	Very high	94.7	Very high	53 Å²	53	27.9 Å²	27.9	25%	0.245	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	131.6	168.2	-170.1	-177.7	0	0	0	110.1	M118 M121 A272	M118-H262 HydrophobicContact CE-CB 3.49Å; M118-H262 VanDerWaalsContact CE-CB 3.49Å; M121-H262 VanDerWaalsContact CE-CE1 3.42Å; M121-H262 WeakPolarHBondContact CE-CE1 3.35Å; M121-H262 WeakPolarHBondContact CE-ND1 3.36Å; M121-H262 PolarHBondContact SD-CE1 3.26Å; H262-A272 PolarHBondContact CD2-O 3.42Å
263	F	95	Very high	94.8	Very high	27 Å²	27	27.8 Å²	27.8	12%	0.118	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108	169.3	-174.2	-132.3	0	0	0	110.5	D228 F229 D261 A265 S268 A272 K274	D228-F263 HydrophobicContact CB-CD1 4.41Å; F229-F263 HydrophobicContact CB-CD1 3.99Å; F229-F263 HydrophobicContact CB-CD2 4.47Å; F229-F263 HydrophobicContact CB-CE1 3.99Å; F229-F263 HydrophobicContact CB-CE2 4.47Å; F229-F263 HydrophobicContact CB-CG 4.24Å; F229-F263 HydrophobicContact CB-CZ 4.24Å; F229-F263 HydrophobicContact CD2-CE1 4.06Å; F229-F263 HydrophobicContact CD2-CE2 4.25Å; F229-F263 AromaticContact CD2-CZ 3.72Å; F229-F263 HydrophobicContact CD2-CZ 3.72Å; F229-F263 HydrophobicContact CE2-CZ 4.32Å; F229-F263 HydrophobicContact CG-CE1 4.24Å; F229-F263 HydrophobicContact CG-CE2 4.19Å; F229-F263 HydrophobicContact CG-CZ 4.02Å; D261-F263 PolarHBondContact O-N 3.06Å; F263-A265 HydrophobicContact CD2-CB 4.21Å; F263-A265 HydrophobicContact CE2-CB 3.48Å; F263-A265 VanDerWaalsContact CE2-CB 3.48Å; F263-A265 HydrophobicContact CZ-CB 3.8Å; F263-S268 VanDerWaalsContact CD1-CB 3.45Å; F263-S268 PolarHBondContact O-OG 2.93Å; F263-A272 HydrophobicContact CB-CB 3.98Å; F263-A272 HydrophobicContact CD1-CB 3.97Å; F263-A272 HydrophobicContact CG-CB 4.47Å; F263-A272 PolarHBondContact N-O 3.12Å; F263-K274 HydrophobicContact CB-CB 3.96Å; F263-K274 HydrophobicContact CB-CD 4.42Å; F263-K274 HydrophobicContact CB-CG 4.12Å; F263-K274 HydrophobicContact CD2-CB 4.48Å; F263-K274 HydrophobicContact CD2-CD 4.04Å; F263-K274 HydrophobicContact CG-CB 4.35Å
264	N	91.7	Very high	94.7	Very high	119 Å²	119	29 Å²	29	64%	0.636	17%	0.172	S	C	*	.			trans	-127.5	30	-174.7	66.2	-16.3	0	0	0	112.7
265	A	89.7	Confident	94.7	Very high	38 Å²	38	29 Å²	29	31%	0.314	17%	0.172	S	C	.	.			trans	-70.5	155.2	177.7	0	0	0	0	0	111.4	F263 G267 S268	F263-A265 HydrophobicContact CD2-CB 4.21Å; F263-A265 HydrophobicContact CE2-CB 3.48Å; F263-A265 VanDerWaalsContact CE2-CB 3.48Å; F263-A265 HydrophobicContact CZ-CB 3.8Å; A265-G267 PolarHBondContact O-N 3.21Å; A265-S268 PolarHBondContact N-OG 3.17Å; A265-S268 VanDerWaalsContact O-CB 3.27Å; A265-S268 WeakPolarHBondContact O-CB 3.12Å; A265-S268 PolarHBondContact O-N 3.03Å; A265-S268 PolarHBondContact O-OG 3.18Å
266	P	85.2	Confident	94.7	Very high	138 Å²	138	28.8 Å²	28.8	90%	0.896	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	130.1	170.9	-25	34.8	0	0	0	111.2	S268	P266-S268 VanDerWaalsContact C-N 3.3Å; P266-S268 PolarHBondContact O-N 3Å
267	G	85.4	Confident	94.7	Very high	40 Å²	40	28.8 Å²	28.8	41%	0.412	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-5.9	-176.8	0	0	0	0	0	115.2	A265	A265-G267 PolarHBondContact O-N 3.21Å
268	S	90.7	Very high	94.6	Very high	19 Å²	19	28.9 Å²	28.9	13%	0.133	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-68.4	145.3	174.1	69.3	0	0	0	0	111.4	F263 A265 P266	F263-S268 VanDerWaalsContact CD1-CB 3.45Å; F263-S268 PolarHBondContact O-OG 2.93Å; A265-S268 PolarHBondContact N-OG 3.17Å; A265-S268 VanDerWaalsContact O-CB 3.27Å; A265-S268 WeakPolarHBondContact O-CB 3.12Å; A265-S268 PolarHBondContact O-N 3.03Å; A265-S268 PolarHBondContact O-OG 3.18Å; P266-S268 VanDerWaalsContact C-N 3.3Å; P266-S268 PolarHBondContact O-N 3Å
269	P	92.6	Very high	94.6	Very high	10 Å²	10	29 Å²	29	7%	0.065	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-55.1	148.7	170.4	-20.8	30.1	0	0	0	111.8	V163 A272	V163-P269 HydrophobicContact CG1-CB 4.2Å; V163-P269 HydrophobicContact CG1-CG 3.83Å; V163-P269 HydrophobicContact CG2-CB 4.35Å; V163-P269 HydrophobicContact CG2-CG 3.86Å; P269-A272 HydrophobicContact CB-CB 4.29Å; P269-A272 WeakPolarHBondContact O-CB 3.19Å; P269-A272 PolarHBondContact O-N 3.02Å
270	P	94.2	Very high	94.7	Very high	20 Å²	20	27.9 Å²	27.9	13%	0.13	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	142.3	173.2	-22.9	33.3	0	0	0	111.8	I125 P150 Y155 S167 A272	I125-P270 HydrophobicContact CD1-CG 3.88Å; I125-P270 HydrophobicContact CG1-CB 4.48Å; I125-P270 HydrophobicContact CG1-CG 3.74Å; P150-P270 HydrophobicContact CB-CB 3.73Å; P150-P270 HydrophobicContact CB-CG 4.4Å; Y155-P270 HydrophobicContact CE1-CG 4.2Å; S167-P270 WeakPolarHBondContact CB-O 3.27Å; S167-P270 PolarHBondContact OG-O 3.1Å; P270-A272 PolarHBondContact O-N 3.02Å
271	L	95.6	Very high	94.7	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.042	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.6	179.9	-56.2	173.3	0	0	0	113.6	M121 P150 S167 H169 R173	M121-L271 HydrophobicContact CB-CD2 4.1Å; M121-L271 HydrophobicContact CE-CD2 4.17Å; P150-L271 HydrophobicContact CB-CD1 4.33Å; P150-L271 HydrophobicContact CG-CD1 4.3Å; S167-L271 WeakPolarHBondContact CB-O 3.2Å; S167-L271 PolarHBondContact OG-O 2.76Å; H169-L271 HydrophobicContact CB-CB 3.79Å; H169-L271 HydrophobicContact CB-CD1 4.09Å; R173-L271 HydrophobicContact CG-CD1 4.21Å
272	A	96.6	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.6	-179.3	0	0	0	0	0	112.6	D228 H262 F263 P269 P270	D228-A272 HydrophobicContact CB-CB 3.8Å; D228-A272 WeakPolarHBondContact OD2-CA 3.43Å; D228-A272 VanDerWaalsContact OD2-CB 3.32Å; D228-A272 WeakPolarHBondContact OD2-CB 3.49Å; H262-A272 PolarHBondContact CD2-O 3.42Å; F263-A272 HydrophobicContact CB-CB 3.98Å; F263-A272 HydrophobicContact CD1-CB 3.97Å; F263-A272 HydrophobicContact CG-CB 4.47Å; F263-A272 PolarHBondContact N-O 3.12Å; P269-A272 HydrophobicContact CB-CB 4.29Å; P269-A272 WeakPolarHBondContact O-CB 3.19Å; P269-A272 PolarHBondContact O-N 3.02Å; P270-A272 PolarHBondContact O-N 3.02Å
273	I	98.1	Very high	94.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.1	177.6	-66.9	177.5	0	0	0	109.4	V114 M118 D228 Y260 K378	V114-I273 HydrophobicContact CG1-CD1 4.04Å; V114-I273 HydrophobicContact CG2-CD1 4.03Å; V114-I273 HydrophobicContact CG2-CG1 3.94Å; V114-I273 HydrophobicContact CG2-CG2 4.24Å; M118-I273 HydrophobicContact CG-CD1 4.13Å; M118-I273 HydrophobicContact CG-CG1 4.17Å; M118-I273 HydrophobicContact SD-CG1 4.5Å; D228-I273 WeakPolarHBondContact CA-O 3.24Å; D228-I273 WeakPolarHBondContact CB-O 3.45Å; D228-I273 PolarHBondContact N-O 3.15Å; D228-I273 PolarHBondContact OD2-N 3.45Å; Y260-I273 HydrophobicContact CD1-CG2 4.35Å; I273-K378 HydrophobicContact CD1-CD 4.47Å
274	K	97.5	Very high	95	Very high	34 Å²	34	24 Å²	24	15%	0.148	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.2	168.9	61.2	178	178.3	-174.7	0	112	F229 Q231 Y260 D261 F263 V276	F229-K274 HydrophobicContact CB-CB 3.92Å; F229-K274 HydrophobicContact CD1-CB 4.33Å; F229-K274 CarbonylContact O-C 3.31Å; F229-K274 WeakPolarHBondContact O-CA 3.03Å; F229-K274 WeakPolarHBondContact O-CB 3.45Å; Q231-K274 HydrophobicContact CB-CD 4.47Å; Y260-K274 WeakPolarHBondContact CA-O 3.31Å; D261-K274 HydrophobicContact CB-CG 4.08Å; D261-K274 PolarHBondContact N-O 2.78Å; D261-K274 PolarHBondContact O-N 3.28Å; F263-K274 HydrophobicContact CB-CB 3.96Å; F263-K274 HydrophobicContact CB-CD 4.42Å; F263-K274 HydrophobicContact CB-CG 4.12Å; F263-K274 HydrophobicContact CD2-CB 4.48Å; F263-K274 HydrophobicContact CD2-CD 4.04Å; F263-K274 HydrophobicContact CG-CB 4.35Å; K274-V276 HydrophobicContact CD-CG2 4.02Å; K274-V276 HydrophobicContact CG-CG2 4.01Å
275	A	98.5	Very high	95.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.6	164.9	0	0	0	0	0	108.6	V227 F229 V230 Q231 Y260 V318 T380	V227-A275 HydrophobicContact CG1-CB 3.92Å; F229-A275 PolarHBondContact O-N 3.37Å; V230-A275 WeakPolarHBondContact CA-O 3.32Å; V230-A275 HydrophobicContact CG2-CB 4.43Å; Q231-A275 PolarHBondContact N-O 2.95Å; Y260-A275 HydrophobicContact CD1-CB 3.97Å; Y260-A275 HydrophobicContact CE1-CB 3.84Å; A275-V318 HydrophobicContact CB-CB 4.19Å; A275-V318 HydrophobicContact CB-CG2 4.49Å; A275-T380 HydrophobicContact CB-CG2 4.41Å
276	V	97.9	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.3	176.8	-178.3	0	0	0	0	109.2	Q231 E233 G258 R259 D261 K274 F473	Q231-V276 HydrophobicContact CB-CG2 4.48Å; Q231-V276 CarbonylContact O-C 3.59Å; Q231-V276 WeakPolarHBondContact O-CA 3.49Å; E233-V276 HydrophobicContact CG-CG1 3.5Å; G258-V276 CarbonylContact C-O 3.49Å; G258-V276 WeakPolarHBondContact CA-O 3.38Å; R259-V276 HydrophobicContact CG-CB 4.31Å; R259-V276 PolarHBondContact N-O 3.13Å; R259-V276 PolarHBondContact O-N 2.8Å; D261-V276 HydrophobicContact CB-CG2 4.2Å; K274-V276 HydrophobicContact CD-CG2 4.02Å; K274-V276 HydrophobicContact CG-CG2 4.01Å; V276-F473 HydrophobicContact CG1-CE2 4.11Å; V276-F473 HydrophobicContact CG1-CZ 3.61Å
277	V	98.4	Very high	96.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.7	-176.6	-177.6	0	0	0	0	110	V230 Q231 F232 E233 L237 M256 I280 V318	V230-V277 HydrophobicContact CG1-CG2 3.87Å; Q231-V277 PolarHBondContact O-N 3.3Å; F232-V277 HydrophobicContact CD1-CB 3.59Å; F232-V277 HydrophobicContact CD1-CG1 3.74Å; F232-V277 HydrophobicContact CD1-CG2 4.02Å; F232-V277 HydrophobicContact CE1-CB 3.9Å; F232-V277 HydrophobicContact CE1-CG1 3.85Å; F232-V277 HydrophobicContact CE1-CG2 3.91Å; F232-V277 HydrophobicContact CG-CB 4.5Å; E233-V277 WeakPolarHBondContact CG-O 3.38Å; E233-V277 PolarHBondContact N-O 3.03Å; E233-V277 VanDerWaalsContact N-O 3.15Å; L237-V277 WeakPolarHBondContact CD1-O 3.21Å; M256-V277 HydrophobicContact CB-CG1 3.76Å; M256-V277 HydrophobicContact CB-CG2 4.01Å; M256-V277 HydrophobicContact CE-CG2 4.41Å; M256-V277 HydrophobicContact CG-CG1 4.07Å; M256-V277 HydrophobicContact CG-CG2 4.35Å; M256-V277 HydrophobicContact SD-CG1 4.32Å; M256-V277 HydrophobicContact SD-CG2 3.74Å; V277-I280 HydrophobicContact CG1-CG1 4.33Å; V277-V318 HydrophobicContact CG2-CG2 4Å
278	A	96.9	Very high	96.7	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.017	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-23.4	-178.5	0	0	0	0	0	113.2	E233 L237 L257 L315	E233-A278 HydrophobicContact CG-CB 4.41Å; L237-A278 WeakPolarHBondContact CD2-O 3.35Å; L257-A278 PolarHBondContact O-N 3.4Å; A278-L315 HydrophobicContact CB-CD1 4.3Å; A278-L315 HydrophobicContact CB-CD2 3.95Å
279	V	97.8	Very high	96.8	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	146.9	-178.6	-177.6	0	0	0	0	109.7	L257 L315 M476 F525	L257-V279 HydrophobicContact CB-CB 4.21Å; L257-V279 PolarHBondContact N-O 3.47Å; L257-V279 PolarHBondContact O-N 3.11Å; V279-L315 HydrophobicContact CG2-CD1 4.06Å; V279-M476 HydrophobicContact CG2-CG 3.58Å; V279-F525 HydrophobicContact CB-CB 4.4Å; V279-F525 HydrophobicContact CB-CD1 4.49Å; V279-F525 HydrophobicContact CB-CG 4.33Å; V279-F525 HydrophobicContact CG1-CB 3.82Å; V279-F525 HydrophobicContact CG1-CD1 3.55Å; V279-F525 HydrophobicContact CG1-CE1 4.26Å; V279-F525 HydrophobicContact CG1-CG 3.74Å; V279-F525 HydrophobicContact CG2-CB 3.64Å; V279-F525 HydrophobicContact CG2-CD1 4.49Å; V279-F525 HydrophobicContact CG2-CD2 4.2Å; V279-F525 HydrophobicContact CG2-CG 3.85Å
280	I	98.2	Very high	96.8	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.046	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	109.2	165	-62.6	171	0	0	0	107.8	F232 M238 F241 I255 V277 I321 H526	F232-I280 HydrophobicContact CE1-CD1 4.49Å; M238-I280 HydrophobicContact CE-CD1 3.52Å; M238-I280 HydrophobicContact SD-CD1 3.79Å; F241-I280 HydrophobicContact CB-CD1 3.9Å; F241-I280 HydrophobicContact CD1-CD1 4.39Å; F241-I280 HydrophobicContact CD2-CG2 3.64Å; F241-I280 HydrophobicContact CE2-CG2 3.98Å; F241-I280 HydrophobicContact CG-CD1 4.04Å; F241-I280 HydrophobicContact CG-CG2 4.21Å; I255-I280 WeakPolarHBondContact O-CA 3.39Å; V277-I280 HydrophobicContact CG1-CG1 4.33Å; I280-I321 HydrophobicContact CD1-CD1 4.29Å; I280-I321 HydrophobicContact CD1-CG2 4.2Å; I280-I321 HydrophobicContact CG1-CG2 4.35Å; I280-I321 HydrophobicContact CG2-CG2 3.81Å; I280-H526 PolarHBondContact O-CE1 3.07Å; I280-H526 VanDerWaalsContact O-CE1 3.3Å
281	Y	98.1	Very high	96.8	Very high	16 Å²	16	31.9 Å²	31.9	6%	0.063	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131	174.7	175.5	-93.5	0	0	0	110.1	G254 I255 P283 L302 P303 V306 E492 F525	G254-Y281 CarbonylContact C-O 3.47Å; G254-Y281 VanDerWaalsContact CA-O 3.3Å; G254-Y281 WeakPolarHBondContact CA-O 3.39Å; I255-Y281 PolarHBondContact N-O 3.39Å; I255-Y281 PolarHBondContact O-N 2.75Å; Y281-P283 HydrophobicContact CE1-CB 4.37Å; Y281-P283 VanDerWaalsContact O-CD 3.28Å; Y281-P283 WeakPolarHBondContact O-CD 3.41Å; Y281-L302 HydrophobicContact CD1-CD2 3.42Å; Y281-L302 VanDerWaalsContact CD1-CD2 3.42Å; Y281-L302 HydrophobicContact CE1-CD2 3.96Å; Y281-L302 HydrophobicContact CG-CD2 4Å; Y281-P303 WeakPolarHBondContact OH-CG 3.39Å; Y281-V306 HydrophobicContact CD2-CG1 3.88Å; Y281-V306 HydrophobicContact CD2-CG2 4.42Å; Y281-V306 HydrophobicContact CE2-CB 4.48Å; Y281-V306 HydrophobicContact CE2-CG1 3.97Å; Y281-V306 HydrophobicContact CE2-CG2 3.69Å; Y281-V306 HydrophobicContact CG-CG1 4.19Å; Y281-E492 HydrophobicContact CD2-CG 4.11Å; Y281-E492 HydrophobicContact CE2-CB 4.37Å; Y281-E492 HydrophobicContact CE2-CG 3.59Å; Y281-F525 HydrophobicContact CD2-CE1 4.14Å
282	E	97.9	Very high	96.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	18%	0.182	C	C	.	.			trans	-96.7	107.8	-180	-72.9	-178.1	-149.6	0	0	111.3	F241 R252 I491 E492 N493 R494	F241-E282 HydrophobicContact CD2-CG 4.43Å; F241-E282 HydrophobicContact CE2-CG 4.45Å; R252-E282 IonicContact CZ-OE2 3.54Å; R252-E282 VanDerWaalsContact CZ-OE2 3.26Å; R252-E282 IonicContact NE-OE2 2.63Å; R252-E282 PolarHBondContact NE-OE2 3.02Å; R252-E282 IonicContact NH2-OE2 3.3Å; R252-E282 PolarHBondContact NH2-OE2 3.23Å; E282-I491 HydrophobicContact CB-CG2 4.19Å; E282-I491 HydrophobicContact CG-CG2 3.97Å; E282-I491 WeakPolarHBondContact OE1-CG2 3.44Å; E282-E492 WeakPolarHBondContact O-CB 3.5Å; E282-N493 PolarHBondContact O-ND2 3.21Å; E282-R494 IonicContact OE1-CZ 2.76Å; E282-R494 VanDerWaalsContact OE1-CZ 3.3Å; E282-R494 IonicContact OE1-NE 4Å; E282-R494 PolarHBondContact OE1-NE 3.39Å; E282-R494 IonicContact OE1-NH2 3.02Å; E282-R494 PolarHBondContact OE1-NH2 3.48Å; E282-R494 IonicContact OE2-CZ 3.2Å; E282-R494 IonicContact OE2-NE 2.82Å; E282-R494 PolarHBondContact OE2-NE 3.42Å; E282-R494 VanDerWaalsContact OE2-NE 3.08Å; E282-R494 IonicContact OE2-NH2 3.51Å
283	P	97.1	Very high	96.8	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.026	21%	0.209	C	C	.	.			trans	-71.9	165.2	177	32	-37.4	0	0	0	112.3	I253 I255 Y281 Q285 L294 V301 N493	I253-P283 HydrophobicContact CG2-CG 4.34Å; I255-P283 HydrophobicContact CG1-CG 4.45Å; Y281-P283 HydrophobicContact CE1-CB 4.37Å; Y281-P283 VanDerWaalsContact O-CD 3.28Å; Y281-P283 WeakPolarHBondContact O-CD 3.41Å; P283-Q285 WeakPolarHBondContact O-CG 3.1Å; P283-Q285 PolarHBondContact O-N 3.48Å; P283-Q285 PolarHBondContact O-NE2 2.77Å; P283-L294 HydrophobicContact CB-CD2 4.01Å; P283-L294 HydrophobicContact CG-CD2 3.39Å; P283-V301 HydrophobicContact CB-CG1 3.55Å; P283-V301 HydrophobicContact CG-CG1 3.65Å; P283-N493 VanDerWaalsContact C-ND2 3.29Å
284	A	96.3	Very high	96.7	Very high	41 Å²	41	40.6 Å²	40.6	34%	0.339	22%	0.215	S	C	.	.	S	Bend	trans	-62.1	122.2	174.8	0	0	0	0	0	110.7	I295 N493	A284-I295 HydrophobicContact CB-CB 4.35Å; A284-I295 HydrophobicContact CB-CD1 4.3Å; A284-I295 PolarHBondContact O-N 3.25Å; A284-N493 PolarHBondContact N-ND2 3.13Å
285	Q	97.2	Very high	96.6	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	153.1	-168.4	65.5	-168.3	-80	0	0	112.5	I253 P283 K293 L294	I253-Q285 PolarHBondContact O-NE2 2.86Å; P283-Q285 WeakPolarHBondContact O-CG 3.1Å; P283-Q285 PolarHBondContact O-N 3.48Å; P283-Q285 PolarHBondContact O-NE2 2.77Å; Q285-K293 CarbonylContact C-O 3.58Å; Q285-K293 WeakPolarHBondContact CA-O 3.45Å; Q285-K293 WeakPolarHBondContact CB-O 3.42Å; Q285-L294 HydrophobicContact CB-CD2 4.36Å
286	E	96.7	Very high	96.3	Very high	112 Å²	112	45.9 Å²	45.9	52%	0.523	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.1	169.7	-68.2	174.7	173.9	0	0	108.6	V292 K293 I295	E286-V292 WeakPolarHBondContact O-CA 3.5Å; E286-K293 PolarHBondContact N-O 3.38Å; E286-K293 PolarHBondContact O-N 3.07Å; E286-I295 HydrophobicContact CG-CD1 4.23Å; E286-I295 HydrophobicContact CG-CG1 4.01Å
287	S	97.3	Very high	96.1	Very high	23 Å²	23	49.7 Å²	49.7	16%	0.161	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.9	-175.8	-72.2	0	0	0	0	110.7	Y244 Q251 R252	Y244-S287 WeakPolarHBondContact OH-CB 3.49Å; Q251-S287 WeakPolarHBondContact O-CB 3.42Å; Q251-S287 PolarHBondContact O-OG 2.65Å; R252-S287 PolarHBondContact NH1-OG 2.92Å
288	T	96.5	Very high	95.8	Very high	55 Å²	55	51.9 Å²	51.9	34%	0.337	29%	0.288	S	S	.	.			trans	-130.4	169	172.1	72.6	0	0	0	0	110.1	Q251 K290 S291	Q251-T288 PolarHBondContact N-O 3.06Å; T288-K290 PolarHBondContact O-N 3.3Å; T288-K290 PolarHBondContact OG1-N 2.89Å; T288-S291 WeakPolarHBondContact CA-O 3.41Å; T288-S291 PolarHBondContact N-O 2.83Å; T288-S291 VanDerWaalsContact O-O 3.12Å; T288-S291 WeakPolarHBondContact OG1-CA 3.31Å; T288-S291 PolarHBondContact OG1-N 2.92Å; T288-S291 PolarHBondContact OG1-O 3.41Å; T288-S291 PolarHBondContact OG1-OG 3.41Å
289	P	94.5	Very high	95.6	Very high	70 Å²	70	56.9 Å²	56.9	46%	0.455	31%	0.314	S	S	.	.	S	Bend	trans	-61.7	-21.7	175.2	-26.4	36.6	0	0	0	115.1	S249 Q251	S249-P289 WeakPolarHBondContact O-CA 3.46Å; S249-P289 WeakPolarHBondContact O-CB 3.17Å; Q251-P289 PolarHBondContact NE2-O 2.71Å
290	K	91.9	Very high	95.3	Very high	203 Å²	203	60.1 Å²	60.1	88%	0.883	34%	0.337	S	S	*	.	S	Bend	trans	-118.3	-10.3	-172.3	-66	-175.2	177.7	-177.5	0	114.8	T288	T288-K290 PolarHBondContact O-N 3.3Å; T288-K290 PolarHBondContact OG1-N 2.89Å
291	S	94.2	Very high	95	Very high	69 Å²	69	60.5 Å²	60.5	48%	0.483	34%	0.34	S	S	.	.			trans	-158.3	156.3	-174.7	66.3	0	0	0	0	110.3	T288	T288-S291 WeakPolarHBondContact CA-O 3.41Å; T288-S291 PolarHBondContact N-O 2.83Å; T288-S291 VanDerWaalsContact O-O 3.12Å; T288-S291 WeakPolarHBondContact OG1-CA 3.31Å; T288-S291 PolarHBondContact OG1-N 2.92Å; T288-S291 PolarHBondContact OG1-O 3.41Å; T288-S291 PolarHBondContact OG1-OG 3.41Å
292	V	96.5	Very high	94.9	Very high	38 Å²	38	60.5 Å²	60.5	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.3	173.7	56.6	0	0	0	0	109	Q251 I253 E286	Q251-V292 HydrophobicContact CB-CB 4.03Å; Q251-V292 HydrophobicContact CB-CG1 4.12Å; I253-V292 HydrophobicContact CB-CG2 4.44Å; I253-V292 HydrophobicContact CD1-CB 4.32Å; I253-V292 HydrophobicContact CD1-CG1 3.84Å; I253-V292 HydrophobicContact CD1-CG2 3.69Å; I253-V292 HydrophobicContact CG1-CB 4.34Å; I253-V292 HydrophobicContact CG1-CG1 3.73Å; I253-V292 HydrophobicContact CG1-CG2 3.67Å; E286-V292 WeakPolarHBondContact O-CA 3.5Å
293	K	95.9	Very high	94.7	Very high	132 Å²	132	62.4 Å²	62.4	57%	0.574	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.6	-175.8	179	-177	171.7	-165.2	0	110.3	Q285 E286	Q285-K293 CarbonylContact C-O 3.58Å; Q285-K293 WeakPolarHBondContact CA-O 3.45Å; Q285-K293 WeakPolarHBondContact CB-O 3.42Å; E286-K293 PolarHBondContact N-O 3.38Å; E286-K293 PolarHBondContact O-N 3.07Å
294	L	96.2	Very high	94.4	Very high	24 Å²	24	70.5 Å²	70.5	13%	0.126	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.5	170.9	-65.9	167.3	0	0	0	110	I253 P283 Q285 L298 V301	I253-L294 HydrophobicContact CB-CD2 4.41Å; I253-L294 HydrophobicContact CD1-CD1 4.46Å; I253-L294 HydrophobicContact CD1-CD2 4.08Å; I253-L294 HydrophobicContact CD1-CG 3.87Å; I253-L294 HydrophobicContact CG2-CD2 4.07Å; P283-L294 HydrophobicContact CB-CD2 4.01Å; P283-L294 HydrophobicContact CG-CD2 3.39Å; Q285-L294 HydrophobicContact CB-CD2 4.36Å; L294-L298 HydrophobicContact CD1-CD2 3.57Å; L294-V301 HydrophobicContact CD1-CG1 4.31Å; L294-V301 HydrophobicContact CD1-CG2 3.92Å; L294-V301 HydrophobicContact CD2-CG1 4.25Å
295	I	95.7	Very high	94.3	Very high	109 Å²	109	69.9 Å²	69.9	56%	0.559	38%	0.378	S	S	*	.	S	Bend	trans	-75.8	-40.5	178.1	-67.1	170.9	0	0	0	110.3	A284 E286	A284-I295 HydrophobicContact CB-CB 4.35Å; A284-I295 HydrophobicContact CB-CD1 4.3Å; A284-I295 PolarHBondContact O-N 3.25Å; E286-I295 HydrophobicContact CG-CD1 4.23Å; E286-I295 HydrophobicContact CG-CG1 4.01Å
296	G	90.9	Very high	94.2	Very high	35 Å²	35	69.1 Å²	69.1	36%	0.361	38%	0.375	S	S	.	.	S	Bend	trans	-85.5	165.6	177.3	0	0	0	0	0	113.5
297	P	94.1	Very high	94.2	Very high	81 Å²	81	68 Å²	68	53%	0.526	37%	0.371	S	S	.	.			trans	-68.1	154.3	174.5	31.1	-35.3	0	0	0	111.6	D299 S300 V301	P297-D299 WeakPolarHBondContact CB-OD1 3.49Å; P297-D299 VanDerWaalsContact CG-OD1 3.27Å; P297-D299 WeakPolarHBondContact CG-OD1 3.38Å; P297-D299 PolarHBondContact O-N 3.36Å; P297-S300 CarbonylContact O-C 2.99Å; P297-S300 PolarHBondContact O-N 2.84Å; P297-S300 VanDerWaalsContact O-N 3.09Å; P297-V301 PolarHBondContact O-N 3.49Å
298	L	92.2	Very high	94	Very high	46 Å²	46	68.6 Å²	68.6	24%	0.241	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-63.8	-25.6	-177	-70.8	174.5	0	0	0	113.9	L294 S300 V301 T355 H358 L359 L362	L294-L298 HydrophobicContact CD1-CD2 3.57Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 3.12Å; L298-V301 HydrophobicContact CD2-CG2 4.28Å; L298-V301 VanDerWaalsContact O-CG2 3.3Å; L298-V301 WeakPolarHBondContact O-CG2 3.44Å; L298-T355 HydrophobicContact CD1-CG2 4.13Å; L298-T355 HydrophobicContact CD2-CG2 4.11Å; L298-H358 WeakPolarHBondContact CB-CD2 3.5Å; L298-H358 HydrophobicContact CD1-CB 4.06Å; L298-H358 WeakPolarHBondContact CD1-CD2 3.19Å; L298-L359 HydrophobicContact CB-CD2 4.45Å; L298-L359 HydrophobicContact CD2-CD2 4.15Å; L298-L359 HydrophobicContact CD2-CG 4.44Å; L298-L362 HydrophobicContact CB-CD1 4.32Å; L298-L362 WeakPolarHBondContact O-CD1 3.3Å
299	D	91.7	Very high	94	Very high	106 Å²	106	66 Å²	66	57%	0.567	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-76.6	-11.5	177.3	65.4	0.7	0	0	0	114	P297 L362	P297-D299 WeakPolarHBondContact CB-OD1 3.49Å; P297-D299 VanDerWaalsContact CG-OD1 3.27Å; P297-D299 WeakPolarHBondContact CG-OD1 3.38Å; P297-D299 PolarHBondContact O-N 3.36Å; D299-L362 HydrophobicContact CB-CD1 4.27Å; D299-L362 HydrophobicContact CB-CD2 3.84Å
300	S	91.7	Very high	94	Very high	72 Å²	72	62.7 Å²	62.7	50%	0.503	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-131.3	26	-174.7	-50.3	0	0	0	0	112	P297 L298 L302	P297-S300 CarbonylContact O-C 2.99Å; P297-S300 PolarHBondContact O-N 2.84Å; P297-S300 VanDerWaalsContact O-N 3.09Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 3.12Å; S300-L302 PolarHBondContact O-N 2.93Å
301	V	93.3	Very high	94.1	Very high	17 Å²	17	59.5 Å²	59.5	10%	0.103	32%	0.322	C	S	.	.	S	Bend	trans	-62.5	-34.1	-178.3	-177.1	0	0	0	0	111.7	I255 P283 L294 P297 L298	I255-V301 HydrophobicContact CD1-CG1 3.74Å; I255-V301 HydrophobicContact CG1-CG1 3.62Å; P283-V301 HydrophobicContact CB-CG1 3.55Å; P283-V301 HydrophobicContact CG-CG1 3.65Å; L294-V301 HydrophobicContact CD1-CG1 4.31Å; L294-V301 HydrophobicContact CD1-CG2 3.92Å; L294-V301 HydrophobicContact CD2-CG1 4.25Å; P297-V301 PolarHBondContact O-N 3.49Å; L298-V301 HydrophobicContact CD2-CG2 4.28Å; L298-V301 VanDerWaalsContact O-CG2 3.3Å; L298-V301 WeakPolarHBondContact O-CG2 3.44Å
302	L	94.3	Very high	94.1	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.084	31%	0.31	C	S	.	.	S	Bend	trans	-96.6	123.8	169.4	-69.1	174.9	0	0	0	109.9	I255 L257 Y281 S300 V306 M307 P317	I255-L302 HydrophobicContact CB-CD2 3.95Å; I255-L302 HydrophobicContact CB-CG 4.41Å; I255-L302 HydrophobicContact CG1-CD2 4.2Å; I255-L302 HydrophobicContact CG1-CG 4.41Å; I255-L302 HydrophobicContact CG2-CD1 3.85Å; I255-L302 HydrophobicContact CG2-CD2 3.92Å; I255-L302 HydrophobicContact CG2-CG 3.99Å; L257-L302 HydrophobicContact CD2-CD1 3.79Å; L257-L302 HydrophobicContact CD2-CD2 4.48Å; Y281-L302 HydrophobicContact CD1-CD2 3.42Å; Y281-L302 VanDerWaalsContact CD1-CD2 3.42Å; Y281-L302 HydrophobicContact CE1-CD2 3.96Å; Y281-L302 HydrophobicContact CG-CD2 4Å; S300-L302 PolarHBondContact O-N 2.93Å; L302-V306 HydrophobicContact CD2-CG1 4.07Å; L302-M307 HydrophobicContact CB-CG 3.57Å; L302-M307 HydrophobicContact CB-SD 4.19Å; L302-M307 HydrophobicContact CD1-CG 4.08Å; L302-P317 HydrophobicContact CD1-CB 4.13Å; L302-P317 HydrophobicContact CD1-CG 3.5Å
303	P	93.7	Very high	93.9	Very high	41 Å²	41	57.5 Å²	57.5	27%	0.266	30%	0.3	S	S	.	.			trans	-59.4	149	170.1	-22.1	32.3	0	0	0	111.6	Y281 H305 V306 M307	Y281-P303 WeakPolarHBondContact OH-CG 3.39Å; P303-H305 VanDerWaalsContact C-N 3.25Å; P303-H305 WeakPolarHBondContact CB-CE1 3.42Å; P303-H305 PolarHBondContact O-N 3.43Å; P303-V306 HydrophobicContact CB-CG2 4.06Å; P303-V306 HydrophobicContact CG-CG2 4.01Å; P303-V306 WeakPolarHBondContact O-CB 3.37Å; P303-V306 PolarHBondContact O-N 2.63Å; P303-M307 PolarHBondContact O-N 3.13Å
304	K	92.8	Very high	93.8	Very high	175 Å²	175	53.2 Å²	53.2	76%	0.761	29%	0.293	S	S	*	.	H	α-helix	trans	-54.7	-39	-178.1	-66.2	-178.9	-178.7	175.3	0	113.3	M307 E308	K304-M307 PolarHBondContact O-N 3.26Å; K304-E308 PolarHBondContact O-N 2.66Å
305	H	92.9	Very high	93.8	Very high	27 Å²	27	52.3 Å²	52.3	13%	0.125	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-38.4	177.9	61.8	-98	0	0	0	112.1	P303 E308 V309 V532 N533 L541 F542	P303-H305 VanDerWaalsContact C-N 3.25Å; P303-H305 WeakPolarHBondContact CB-CE1 3.42Å; P303-H305 PolarHBondContact O-N 3.43Å; H305-E308 PolarHBondContact O-N 3.11Å; H305-V309 VanDerWaalsContact O-CG2 3.25Å; H305-V309 WeakPolarHBondContact O-CG2 3.25Å; H305-V309 PolarHBondContact O-N 3.45Å; H305-V532 HydrophobicContact CB-CG2 3.94Å; H305-N533 VanDerWaalsContact CE1-CG 3.42Å; H305-N533 PolarHBondContact CE1-OD1 3.13Å; H305-N533 VanDerWaalsContact CE1-OD1 3.26Å; H305-N533 PolarHBondContact ND1-OD1 3.26Å; H305-L541 HydrophobicContact CB-CD2 4.33Å; H305-F542 HydrophobicContact CB-CD2 4.45Å; H305-F542 HydrophobicContact CB-CE2 3.91Å
306	V	96.2	Very high	93.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-43.9	176.8	-178.1	0	0	0	0	110.7	L257 Y281 L302 P303 E308 V309 A310 F525 A529	L257-V306 HydrophobicContact CD1-CG1 4.39Å; Y281-V306 HydrophobicContact CD2-CG1 3.88Å; Y281-V306 HydrophobicContact CD2-CG2 4.42Å; Y281-V306 HydrophobicContact CE2-CB 4.48Å; Y281-V306 HydrophobicContact CE2-CG1 3.97Å; Y281-V306 HydrophobicContact CE2-CG2 3.69Å; Y281-V306 HydrophobicContact CG-CG1 4.19Å; L302-V306 HydrophobicContact CD2-CG1 4.07Å; P303-V306 HydrophobicContact CB-CG2 4.06Å; P303-V306 HydrophobicContact CG-CG2 4.01Å; P303-V306 WeakPolarHBondContact O-CB 3.37Å; P303-V306 PolarHBondContact O-N 2.63Å; V306-E308 PolarHBondContact O-N 3.21Å; V306-V309 PolarHBondContact O-N 2.9Å; V306-A310 WeakPolarHBondContact O-CB 3.32Å; V306-A310 PolarHBondContact O-N 3.12Å; V306-F525 HydrophobicContact CG1-CE1 3.81Å; V306-F525 HydrophobicContact CG1-CZ 3.68Å; V306-A529 HydrophobicContact CG2-CB 4.31Å
307	M	95.1	Very high	94.1	Very high	90 Å²	90	49.5 Å²	49.5	44%	0.443	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-45	176.1	-69	-174	64.7	0	0	112	L302 P303 K304 A310 Q311	L302-M307 HydrophobicContact CB-CG 3.57Å; L302-M307 HydrophobicContact CB-SD 4.19Å; L302-M307 HydrophobicContact CD1-CG 4.08Å; P303-M307 PolarHBondContact O-N 3.13Å; K304-M307 PolarHBondContact O-N 3.26Å; M307-A310 PolarHBondContact O-N 2.86Å; M307-Q311 WeakPolarHBondContact O-CB 3.44Å; M307-Q311 PolarHBondContact O-N 2.94Å
308	E	94.1	Very high	94.3	Very high	34 Å²	34	45.7 Å²	45.7	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-43.7	178.9	-178.1	69.5	-156.3	0	0	111.6	K304 H305 V306 A310 Q311 R312 L541 F542 L548	K304-E308 PolarHBondContact O-N 2.66Å; H305-E308 PolarHBondContact O-N 3.11Å; V306-E308 PolarHBondContact O-N 3.21Å; E308-A310 PolarHBondContact O-N 3.04Å; E308-Q311 PolarHBondContact O-N 3.34Å; E308-R312 VanDerWaalsContact O-CG 3.29Å; E308-R312 WeakPolarHBondContact O-CG 3.48Å; E308-R312 PolarHBondContact O-N 3.43Å; E308-R312 IonicContact OE1-CZ 3.29Å; E308-R312 IonicContact OE1-NE 3.79Å; E308-R312 PolarHBondContact OE1-NE 3.19Å; E308-R312 IonicContact OE1-NH2 3.33Å; E308-R312 PolarHBondContact OE1-NH2 3.03Å; E308-L541 HydrophobicContact CB-CD2 3.7Å; E308-L541 HydrophobicContact CG-CD1 4.4Å; E308-L541 HydrophobicContact CG-CD2 3.59Å; E308-L541 HydrophobicContact CG-CG 4.25Å; E308-F542 HydrophobicContact CB-CZ 4.32Å; E308-L548 HydrophobicContact CG-CD2 3.82Å
309	V	95.6	Very high	94.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-52	174.4	169.3	0	0	0	0	110.3	H305 V306 Q311 R312 I313 F525 L528 V532 L541 L559	H305-V309 VanDerWaalsContact O-CG2 3.25Å; H305-V309 WeakPolarHBondContact O-CG2 3.25Å; H305-V309 PolarHBondContact O-N 3.45Å; V306-V309 PolarHBondContact O-N 2.9Å; V309-Q311 VanDerWaalsContact C-N 3.35Å; V309-Q311 PolarHBondContact O-N 3.47Å; V309-R312 PolarHBondContact O-N 3.47Å; V309-I313 HydrophobicContact CG1-CD1 4.43Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 2.82Å; V309-I313 VanDerWaalsContact O-N 3.16Å; V309-F525 HydrophobicContact CG1-CD2 4.35Å; V309-F525 HydrophobicContact CG1-CE2 3.86Å; V309-F525 HydrophobicContact CG1-CZ 4.47Å; V309-L528 HydrophobicContact CG1-CB 4.09Å; V309-V532 HydrophobicContact CG2-CB 4.19Å; V309-V532 HydrophobicContact CG2-CG1 3.56Å; V309-V532 HydrophobicContact CG2-CG2 3.77Å; V309-L541 HydrophobicContact CG2-CD2 4.16Å; V309-L559 HydrophobicContact CG1-CD2 4.01Å; V309-L559 HydrophobicContact CG2-CD1 4.23Å; V309-L559 HydrophobicContact CG2-CD2 4.48Å
310	A	96.1	Very high	94.9	Very high	2 Å²	2	39 Å²	39	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-55.3	-50.4	178.5	0	0	0	0	0	111	L257 V306 M307 E308 R312 I313 G314 L315 F525	L257-A310 HydrophobicContact CD1-CB 4.23Å; V306-A310 WeakPolarHBondContact O-CB 3.32Å; V306-A310 PolarHBondContact O-N 3.12Å; M307-A310 PolarHBondContact O-N 2.86Å; E308-A310 PolarHBondContact O-N 3.04Å; A310-R312 VanDerWaalsContact C-N 3.34Å; A310-R312 PolarHBondContact O-N 3.29Å; A310-I313 CarbonylContact O-C 3.54Å; A310-I313 VanDerWaalsContact O-CG1 3.31Å; A310-I313 WeakPolarHBondContact O-CG1 3.4Å; A310-I313 PolarHBondContact O-N 3.37Å; A310-G314 PolarHBondContact O-N 3.45Å; A310-L315 CarbonylContact C-O 3.52Å; A310-L315 HydrophobicContact CB-CB 4.14Å; A310-L315 CarbonylContact O-C 3.47Å; A310-L315 WeakPolarHBondContact O-CA 3.38Å; A310-L315 PolarHBondContact O-N 2.82Å; A310-F525 HydrophobicContact CB-CE2 4.1Å; A310-F525 HydrophobicContact CB-CZ 4.26Å
311	Q	94	Very high	95.3	Very high	136 Å²	136	35.5 Å²	35.5	64%	0.636	18%	0.18	S	C	*	.	H	α-helix	trans	-59.9	-42.1	-179	-174.4	175.5	14.3	0	0	112.4	M307 E308 V309 I313 G314 L315	M307-Q311 WeakPolarHBondContact O-CB 3.44Å; M307-Q311 PolarHBondContact O-N 2.94Å; E308-Q311 PolarHBondContact O-N 3.34Å; V309-Q311 VanDerWaalsContact C-N 3.35Å; V309-Q311 PolarHBondContact O-N 3.47Å; Q311-I313 PolarHBondContact O-N 2.98Å; Q311-G314 PolarHBondContact O-N 2.95Å; Q311-G314 VanDerWaalsContact O-N 3.15Å; Q311-L315 WeakPolarHBondContact CA-O 3.48Å; Q311-L315 PolarHBondContact N-O 2.94Å
312	R	92.3	Very high	95.5	Very high	62 Å²	62	35.1 Å²	35.1	23%	0.234	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-41.1	179.5	-72.1	-67.1	178.3	92.1	14.4	112.6	E308 V309 A310 G314 L548 L559 A563	E308-R312 VanDerWaalsContact O-CG 3.29Å; E308-R312 WeakPolarHBondContact O-CG 3.48Å; E308-R312 PolarHBondContact O-N 3.43Å; E308-R312 IonicContact OE1-CZ 3.29Å; E308-R312 IonicContact OE1-NE 3.79Å; E308-R312 PolarHBondContact OE1-NE 3.19Å; E308-R312 IonicContact OE1-NH2 3.33Å; E308-R312 PolarHBondContact OE1-NH2 3.03Å; V309-R312 PolarHBondContact O-N 3.47Å; A310-R312 VanDerWaalsContact C-N 3.34Å; A310-R312 PolarHBondContact O-N 3.29Å; R312-G314 PolarHBondContact O-N 2.82Å; R312-L548 VanDerWaalsContact NH2-CD1 3.34Å; R312-L559 HydrophobicContact CB-CB 4.05Å; R312-L559 HydrophobicContact CB-CD1 4.28Å; R312-L559 HydrophobicContact CG-CD1 4.33Å; R312-A563 WeakPolarHBondContact O-CB 3.4Å
313	I	93.8	Very high	95.6	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	12.9	178.2	69.1	-178.6	0	0	0	112.7	V309 A310 Q311 L315 M476 F525 L559 I562 C566	V309-I313 HydrophobicContact CG1-CD1 4.43Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 2.82Å; V309-I313 VanDerWaalsContact O-N 3.16Å; A310-I313 CarbonylContact O-C 3.54Å; A310-I313 VanDerWaalsContact O-CG1 3.31Å; A310-I313 WeakPolarHBondContact O-CG1 3.4Å; A310-I313 PolarHBondContact O-N 3.37Å; Q311-I313 PolarHBondContact O-N 2.98Å; I313-L315 HydrophobicContact CD1-CD1 3.88Å; I313-L315 HydrophobicContact CD1-CG 4.32Å; I313-L315 HydrophobicContact CG1-CB 4.41Å; I313-L315 HydrophobicContact CG1-CD1 4.14Å; I313-L315 HydrophobicContact CG1-CG 4.02Å; I313-M476 HydrophobicContact CD1-CE 3.54Å; I313-M476 HydrophobicContact CD1-SD 4.05Å; I313-F525 HydrophobicContact CD1-CD2 3.74Å; I313-F525 HydrophobicContact CD1-CE2 4Å; I313-L559 HydrophobicContact CG2-CD2 3.99Å; I313-I562 HydrophobicContact CB-CG2 4.25Å; I313-I562 HydrophobicContact CG2-CB 4.2Å; I313-I562 HydrophobicContact CG2-CG2 3.84Å; I313-C566 PolarHBondContact O-SG 3.1Å
314	G	92.7	Very high	95.7	Very high	41 Å²	41	34.3 Å²	34.3	42%	0.423	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	21.5	175	0	0	0	0	0	114.7	A310 Q311 R312	A310-G314 PolarHBondContact O-N 3.45Å; Q311-G314 PolarHBondContact O-N 2.95Å; Q311-G314 VanDerWaalsContact O-N 3.15Å; R312-G314 PolarHBondContact O-N 2.82Å
315	L	96	Very high	95.7	Very high	5 Å²	5	26 Å²	26	3%	0.026	13%	0.134	C	C	.	.			trans	-104.3	155.1	172.3	-58.6	-177.9	0	0	0	111	G258 A278 V279 A310 Q311 I313 T475 M476	G258-L315 CarbonylContact O-C 3.54Å; G258-L315 VanDerWaalsContact O-CA 3.32Å; G258-L315 WeakPolarHBondContact O-CA 3.45Å; A278-L315 HydrophobicContact CB-CD1 4.3Å; A278-L315 HydrophobicContact CB-CD2 3.95Å; V279-L315 HydrophobicContact CG2-CD1 4.06Å; A310-L315 CarbonylContact C-O 3.52Å; A310-L315 HydrophobicContact CB-CB 4.14Å; A310-L315 CarbonylContact O-C 3.47Å; A310-L315 WeakPolarHBondContact O-CA 3.38Å; A310-L315 PolarHBondContact O-N 2.82Å; Q311-L315 WeakPolarHBondContact CA-O 3.48Å; Q311-L315 PolarHBondContact N-O 2.94Å; I313-L315 HydrophobicContact CD1-CD1 3.88Å; I313-L315 HydrophobicContact CD1-CG 4.32Å; I313-L315 HydrophobicContact CG1-CB 4.41Å; I313-L315 HydrophobicContact CG1-CD1 4.14Å; I313-L315 HydrophobicContact CG1-CG 4.02Å; L315-T475 HydrophobicContact CD2-CG2 4.38Å; L315-M476 HydrophobicContact CD1-SD 4.21Å
316	Q	96	Very high	95.7	Very high	66 Å²	66	27 Å²	27	31%	0.308	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.4	173.5	62.1	179.7	-20.5	0	0	110.4	L257 G258 Y260 V318	L257-Q316 WeakPolarHBondContact CA-O 3.19Å; G258-Q316 PolarHBondContact N-O 2.95Å; G258-Q316 PolarHBondContact O-N 3.13Å; Y260-Q316 VanDerWaalsContact CD2-NE2 3.26Å; Q316-V318 HydrophobicContact CG-CG1 4.21Å; Q316-V318 PolarHBondContact O-N 3.28Å; Q316-V318 VanDerWaalsContact O-N 3.13Å
317	P	97.8	Very high	95.4	Very high	20 Å²	20	28.5 Å²	28.5	13%	0.13	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	114.6	171.6	-17.6	32.5	0	0	0	109.6	I255 L257 L302 F379	I255-P317 HydrophobicContact CG2-CB 4.45Å; L257-P317 HydrophobicContact CD2-CB 4.26Å; L257-P317 HydrophobicContact CD2-CG 4.09Å; L302-P317 HydrophobicContact CD1-CB 4.13Å; L302-P317 HydrophobicContact CD1-CG 3.5Å; P317-F379 HydrophobicContact CB-CE2 3.88Å
318	V	98.5	Very high	94.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-15.8	178.6	-66.4	0	0	0	0	112.8	M256 Y260 A275 V277 Q316 F379 T380	M256-V318 HydrophobicContact CB-CG2 4.03Å; M256-V318 WeakPolarHBondContact O-CG2 3.41Å; M256-V318 PolarHBondContact O-N 3.35Å; Y260-V318 HydrophobicContact CD1-CG1 4.37Å; Y260-V318 HydrophobicContact CE1-CB 4.01Å; Y260-V318 HydrophobicContact CE1-CG1 3.95Å; Y260-V318 HydrophobicContact CE2-CG1 4.17Å; Y260-V318 WeakPolarHBondContact OH-CA 3.49Å; Y260-V318 PolarHBondContact OH-O 3.26Å; A275-V318 HydrophobicContact CB-CB 4.19Å; A275-V318 HydrophobicContact CB-CG2 4.49Å; V277-V318 HydrophobicContact CG2-CG2 4Å; Q316-V318 HydrophobicContact CG-CG1 4.21Å; Q316-V318 PolarHBondContact O-N 3.28Å; Q316-V318 VanDerWaalsContact O-N 3.13Å; V318-F379 WeakPolarHBondContact O-CA 3.33Å; V318-T380 PolarHBondContact O-N 2.89Å; V318-T380 PolarHBondContact O-OG1 2.78Å
319	G	98.5	Very high	94.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-172.1	176	0	0	0	0	0	112.7	M256 F379 T380	M256-G319 WeakPolarHBondContact CB-O 3.28Å; M256-G319 PolarHBondContact N-O 2.99Å; M256-G319 PolarHBondContact O-N 2.85Å; G319-F379 VanDerWaalsContact CA-CE2 3.48Å; G319-F379 VanDerWaalsContact CA-CZ 3.42Å; G319-F379 WeakPolarHBondContact O-CZ 3.21Å; G319-T380 CarbonylContact C-O 3.55Å; G319-T380 WeakPolarHBondContact CA-O 3.46Å
320	W	98.7	Very high	92.8	Very high	11 Å²	11	36.9 Å²	36.9	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.9	169.7	72.4	-52.7	0	0	0	109.8	I253 G254 I255 F322 T355 A356 L359 F379 T380 T381 V382	I253-W320 HydrophobicContact CD1-CZ3 4.43Å; I253-W320 HydrophobicContact CG2-CE3 4.07Å; G254-W320 CarbonylContact O-C 3.57Å; G254-W320 WeakPolarHBondContact O-CA 3.43Å; I255-W320 HydrophobicContact CD1-CB 3.75Å; W320-F322 HydrophobicContact CD2-CD1 4.17Å; W320-F322 AromaticContact CE3-CD1 3.86Å; W320-F322 HydrophobicContact CE3-CD1 3.86Å; W320-F322 AromaticContact CH2-CD1 3.46Å; W320-F322 HydrophobicContact CH2-CD1 3.46Å; W320-F322 VanDerWaalsContact CH2-CD1 3.46Å; W320-F322 AromaticContact CH2-CE1 3.5Å; W320-F322 HydrophobicContact CH2-CE1 3.5Å; W320-F322 HydrophobicContact CH2-CG 4.34Å; W320-F322 HydrophobicContact CH2-CZ 4.42Å; W320-F322 AromaticContact CZ2-CD1 3.79Å; W320-F322 HydrophobicContact CZ2-CD1 3.79Å; W320-F322 AromaticContact CZ2-CE1 3.55Å; W320-F322 HydrophobicContact CZ2-CE1 3.55Å; W320-F322 HydrophobicContact CZ3-CB 4.33Å; W320-F322 AromaticContact CZ3-CD1 3.5Å; W320-F322 HydrophobicContact CZ3-CD1 3.5Å; W320-F322 VanDerWaalsContact CZ3-CD1 3.5Å; W320-F322 HydrophobicContact CZ3-CE1 4.06Å; W320-F322 HydrophobicContact CZ3-CG 4.15Å; W320-T355 HydrophobicContact CH2-CG2 3.78Å; W320-T355 HydrophobicContact CZ2-CG2 4.05Å; W320-T355 HydrophobicContact CZ3-CG2 4.29Å; W320-A356 HydrophobicContact CZ2-CB 4.42Å; W320-L359 HydrophobicContact CB-CD1 4.23Å; W320-L359 HydrophobicContact CD2-CD1 3.54Å; W320-L359 HydrophobicContact CE3-CD1 4.13Å; W320-L359 HydrophobicContact CG-CD1 3.57Å; W320-L359 HydrophobicContact CZ2-CD1 4.37Å; W320-F379 HydrophobicContact CB-CE1 4.18Å; W320-F379 HydrophobicContact CB-CZ 4.24Å; W320-F379 AromaticContact CD1-CE1 3.69Å; W320-F379 HydrophobicContact CG-CE1 4.22Å; W320-T380 PolarHBondContact N-O 2.81Å; W320-T381 HydrophobicContact CZ2-CG2 3.91Å; W320-T381 VanDerWaalsContact NE1-CG2 3.26Å; W320-T381 PolarHBondContact NE1-OG1 3.11Å; W320-V382 PolarHBondContact O-N 2.89Å
321	I	98.6	Very high	91.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.1	-179.7	-175	168.2	0	0	0	109.1	F232 M238 F241 I253 G254 M256 I280 V382 V384	F232-I321 HydrophobicContact CE1-CD1 4.36Å; F232-I321 HydrophobicContact CZ-CD1 4.05Å; M238-I321 HydrophobicContact SD-CD1 3.74Å; F241-I321 HydrophobicContact CD1-CD1 4.14Å; F241-I321 HydrophobicContact CE1-CD1 3.97Å; F241-I321 HydrophobicContact CE1-CG1 3.86Å; F241-I321 HydrophobicContact CE1-CG2 4.07Å; F241-I321 HydrophobicContact CE2-CG2 4.28Å; F241-I321 HydrophobicContact CZ-CG1 4.36Å; F241-I321 HydrophobicContact CZ-CG2 3.89Å; I253-I321 CarbonylContact C-O 3.37Å; I253-I321 WeakPolarHBondContact CA-O 3.42Å; G254-I321 PolarHBondContact N-O 2.92Å; G254-I321 PolarHBondContact O-N 3.17Å; M256-I321 HydrophobicContact CG-CB 4Å; M256-I321 HydrophobicContact CG-CG2 3.88Å; M256-I321 HydrophobicContact SD-CB 4.02Å; M256-I321 HydrophobicContact SD-CG2 4.49Å; I280-I321 HydrophobicContact CD1-CD1 4.29Å; I280-I321 HydrophobicContact CD1-CG2 4.2Å; I280-I321 HydrophobicContact CG1-CG2 4.35Å; I280-I321 HydrophobicContact CG2-CG2 3.81Å; I321-V382 CarbonylContact C-O 3.46Å; I321-V382 VanDerWaalsContact CA-O 3.24Å; I321-V382 WeakPolarHBondContact CA-O 3.44Å; I321-V382 HydrophobicContact CB-CB 4.16Å; I321-V382 HydrophobicContact CD1-CB 4.33Å; I321-V382 HydrophobicContact CD1-CG1 3.91Å; I321-V382 HydrophobicContact CG1-CB 3.97Å; I321-V382 HydrophobicContact CG1-CG1 3.93Å; I321-V384 HydrophobicContact CD1-CG2 3.63Å; I321-V384 HydrophobicContact CG1-CG2 3.67Å
322	F	98.1	Very high	89.8	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.5	172.2	65.2	-89.7	0	0	0	111.9	R252 I253 W320 L348 E352 T381 V382 V383 V384	R252-F322 CarbonylContact O-C 3.53Å; R252-F322 WeakPolarHBondContact O-CA 3.3Å; I253-F322 HydrophobicContact CG1-CB 3.91Å; W320-F322 HydrophobicContact CD2-CD1 4.17Å; W320-F322 AromaticContact CE3-CD1 3.86Å; W320-F322 HydrophobicContact CE3-CD1 3.86Å; W320-F322 AromaticContact CH2-CD1 3.46Å; W320-F322 HydrophobicContact CH2-CD1 3.46Å; W320-F322 VanDerWaalsContact CH2-CD1 3.46Å; W320-F322 AromaticContact CH2-CE1 3.5Å; W320-F322 HydrophobicContact CH2-CE1 3.5Å; W320-F322 HydrophobicContact CH2-CG 4.34Å; W320-F322 HydrophobicContact CH2-CZ 4.42Å; W320-F322 AromaticContact CZ2-CD1 3.79Å; W320-F322 HydrophobicContact CZ2-CD1 3.79Å; W320-F322 AromaticContact CZ2-CE1 3.55Å; W320-F322 HydrophobicContact CZ2-CE1 3.55Å; W320-F322 HydrophobicContact CZ3-CB 4.33Å; W320-F322 AromaticContact CZ3-CD1 3.5Å; W320-F322 HydrophobicContact CZ3-CD1 3.5Å; W320-F322 VanDerWaalsContact CZ3-CD1 3.5Å; W320-F322 HydrophobicContact CZ3-CE1 4.06Å; W320-F322 HydrophobicContact CZ3-CG 4.15Å; F322-L348 HydrophobicContact CZ-CD2 4.18Å; F322-E352 HydrophobicContact CE2-CG 4.1Å; F322-E352 HydrophobicContact CZ-CB 4.18Å; F322-E352 HydrophobicContact CZ-CG 3.71Å; F322-T381 HydrophobicContact CE1-CG2 3.77Å; F322-V382 PolarHBondContact N-O 3.46Å; F322-V383 HydrophobicContact CD2-CG1 4.36Å; F322-V383 HydrophobicContact CE1-CG2 3.76Å; F322-V383 HydrophobicContact CE2-CB 4.39Å; F322-V383 HydrophobicContact CE2-CG1 3.82Å; F322-V383 HydrophobicContact CE2-CG2 3.91Å; F322-V383 HydrophobicContact CZ-CB 4.29Å; F322-V383 HydrophobicContact CZ-CG1 4.18Å; F322-V383 HydrophobicContact CZ-CG2 3.36Å; F322-V383 WeakPolarHBondContact O-CA 3.43Å; F322-V384 PolarHBondContact O-N 2.84Å
323	T	97.2	Very high	88.7	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.5	177.9	68.2	0	0	0	0	111.1	F241 L242 Q251 R252 L325 V384	F241-T323 HydrophobicContact CE1-CG2 3.72Å; F241-T323 HydrophobicContact CZ-CG2 4.17Å; L242-T323 HydrophobicContact CD2-CG2 4.27Å; Q251-T323 WeakPolarHBondContact CA-OG1 3.37Å; Q251-T323 PolarHBondContact OE1-O 2.84Å; Q251-T323 PolarHBondContact OE1-OG1 2.94Å; R252-T323 PolarHBondContact N-OG1 2.74Å; R252-T323 PolarHBondContact O-N 3.38Å; T323-L325 HydrophobicContact CG2-CD1 4.38Å; T323-V384 HydrophobicContact CG2-CB 4.16Å; T323-V384 HydrophobicContact CG2-CG2 4.32Å
324	D	94.6	Very high	87.9	Confident	37 Å²	37	39.5 Å²	39.5	20%	0.198	23%	0.234	C	C	.	.			trans	-132.5	74.7	163.3	-177.1	18.7	0	0	0	108.2	R340 V383 V384	D324-R340 IonicContact OD2-CZ 3.46Å; D324-R340 IonicContact OD2-NE 2.7Å; D324-R340 PolarHBondContact OD2-NE 3.49Å; D324-R340 IonicContact OD2-NH2 2.6Å; D324-R340 PolarHBondContact OD2-NH2 2.82Å; D324-V383 HydrophobicContact CB-CG1 4.36Å; D324-V384 PolarHBondContact N-O 2.89Å
325	L	94	Very high	87.7	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	23%	0.226	C	C	.	.			trans	-118.5	126.5	-171.9	-66.4	174.9	0	0	0	110.9	L242 W245 Q251 T323 V336 V384 I392	L242-L325 HydrophobicContact CD2-CD1 3.65Å; W245-L325 HydrophobicContact CD2-CB 4.02Å; W245-L325 HydrophobicContact CD2-CD1 3.8Å; W245-L325 HydrophobicContact CE3-CD1 4.04Å; W245-L325 HydrophobicContact CG-CB 4.37Å; W245-L325 HydrophobicContact CG-CD1 4.09Å; W245-L325 HydrophobicContact CH2-CB 4.4Å; W245-L325 HydrophobicContact CZ2-CB 3.61Å; W245-L325 HydrophobicContact CZ3-CD1 4.49Å; W245-L325 PolarHBondContact NE1-O 3.41Å; W245-L325 VanDerWaalsContact NE1-O 3.07Å; Q251-L325 PolarHBondContact NE2-O 2.88Å; T323-L325 HydrophobicContact CG2-CD1 4.38Å; L325-V336 HydrophobicContact CD2-CB 4.41Å; L325-V336 HydrophobicContact CD2-CG1 4.25Å; L325-V336 HydrophobicContact CD2-CG2 4.34Å; L325-V384 HydrophobicContact CD1-CG1 4.2Å; L325-V384 HydrophobicContact CD2-CG1 4.47Å; L325-I392 HydrophobicContact CD1-CD1 4.36Å; L325-I392 HydrophobicContact CD2-CG1 4.24Å; L325-I392 HydrophobicContact CD2-CG2 4.46Å
326	V	91.6	Very high	87.5	Confident	47 Å²	47	39.2 Å²	39.2	29%	0.285	22%	0.224	S	C	.	.			trans	-126.1	120.2	172.2	178.7	0	0	0	0	108.7	Q328 V336 K337 F339	V326-Q328 PolarHBondContact O-N 2.75Å; V326-V336 CarbonylContact O-C 3.56Å; V326-V336 WeakPolarHBondContact O-CA 3.37Å; V326-K337 HydrophobicContact CB-CB 4.48Å; V326-K337 HydrophobicContact CB-CD 4.28Å; V326-K337 HydrophobicContact CG1-CD 3.83Å; V326-K337 HydrophobicContact CG1-CG 4.41Å; V326-K337 PolarHBondContact O-N 2.81Å; V326-F339 HydrophobicContact CB-CD2 4.41Å; V326-F339 HydrophobicContact CB-CE2 3.64Å; V326-F339 HydrophobicContact CG1-CE2 4.19Å; V326-F339 HydrophobicContact CG2-CD2 4.25Å; V326-F339 HydrophobicContact CG2-CE2 3.61Å
327	A	89.7	Confident	87.2	Confident	31 Å²	31	39.9 Å²	39.9	26%	0.256	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-59.8	134.5	176.8	0	0	0	0	0	110.5	W245	W245-A327 HydrophobicContact CZ2-CB 4.48Å
328	Q	84.4	Confident	86.8	Confident	83 Å²	83	41.5 Å²	41.5	39%	0.388	23%	0.232	S	C	.	.	S	Bend	trans	-75	-37.4	178.8	-167.1	177.7	38	0	0	111.3	V326 V335 K337	V326-Q328 PolarHBondContact O-N 2.75Å; Q328-V335 HydrophobicContact CB-CG1 4.14Å; Q328-V335 PolarHBondContact N-O 3.01Å; Q328-K337 HydrophobicContact CB-CG 4.27Å; Q328-K337 HydrophobicContact CG-CG 4.41Å
329	N	78	Confident	86.1	Confident	96 Å²	96	45.6 Å²	45.6	51%	0.513	25%	0.25	S	C	.	.	S	Bend	trans	-135.8	143.9	176.8	-66.2	-45.2	0	0	0	109.8	N331	N329-N331 PolarHBondContact O-N 3.15Å; N329-N331 VanDerWaalsContact O-N 3.08Å
330	S	68.5	Low	85.2	Confident	121 Å²	121	45.8 Å²	45.8	85%	0.846	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.7	177.9	-52.2	0	0	0	0	114.5	G332	S330-G332 VanDerWaalsContact C-N 3.27Å; S330-G332 PolarHBondContact O-N 2.97Å
331	N	62.5	Low	83.8	Confident	130 Å²	130	46.4 Å²	46.4	70%	0.695	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	3.9	-170.1	-65	5.8	0	0	0	114.5	N329 N333	N329-N331 PolarHBondContact O-N 3.15Å; N329-N331 VanDerWaalsContact O-N 3.08Å; N331-N333 PolarHBondContact O-N 3.13Å; N331-N333 PolarHBondContact O-OD1 2.8Å
332	G	63.6	Low	82.1	Confident	1 Å²	1	49 Å²	49	1%	0.01	28%	0.277	C	S	.	.			trans	81.9	10.7	169.2	0	0	0	0	0	116.5	S330 G334 S622 Y623	S330-G332 VanDerWaalsContact C-N 3.27Å; S330-G332 PolarHBondContact O-N 2.97Å; G332-G334 PolarHBondContact O-N 3.36Å; G332-S622 CarbonylContact O-C 3.37Å; G332-S622 VanDerWaalsContact O-C 3.31Å; G332-S622 WeakPolarHBondContact O-CB 3.47Å; G332-Y623 VanDerWaalsContact CA-CZ 3.48Å
333	N	70	Confident	80.1	Confident	117 Å²	117	52.1 Å²	52.1	63%	0.626	30%	0.296	S	S	*	.	S	Bend	trans	-67.8	6.4	-177.8	-65.7	13	0	0	0	114.4	N331 V335	N331-N333 PolarHBondContact O-N 3.13Å; N331-N333 PolarHBondContact O-OD1 2.8Å; N333-V335 HydrophobicContact CB-CG2 4.05Å; N333-V335 PolarHBondContact O-N 2.81Å
334	G	77	Confident	78.2	Confident	10 Å²	10	59.4 Å²	59.4	10%	0.103	34%	0.335	C	S	.	.	S	Bend	trans	71.7	2.4	-176.6	0	0	0	0	0	115.4	G332	G332-G334 PolarHBondContact O-N 3.36Å
335	V	89.3	Confident	76.9	Confident	41 Å²	41	59.6 Å²	59.6	25%	0.248	34%	0.338	C	S	.	.			trans	-83.4	129.8	-176.9	-172.4	0	0	0	0	111	Q328 N333 N390	Q328-V335 HydrophobicContact CB-CG1 4.14Å; Q328-V335 PolarHBondContact N-O 3.01Å; N333-V335 HydrophobicContact CB-CG2 4.05Å; N333-V335 PolarHBondContact O-N 2.81Å; V335-N390 WeakPolarHBondContact CA-O 3.35Å; V335-N390 HydrophobicContact CG1-CB 3.39Å; V335-N390 WeakPolarHBondContact CG1-O 3.31Å
336	V	91.1	Very high	76.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-122.3	152.9	-175.3	-68.2	0	0	0	0	111.2	W245 L325 V326 G386 N390 I392	W245-V336 HydrophobicContact CH2-CG1 3.65Å; W245-V336 HydrophobicContact CZ2-CG1 4.17Å; W245-V336 HydrophobicContact CZ3-CG1 4.43Å; L325-V336 HydrophobicContact CD2-CB 4.41Å; L325-V336 HydrophobicContact CD2-CG1 4.25Å; L325-V336 HydrophobicContact CD2-CG2 4.34Å; V326-V336 CarbonylContact O-C 3.56Å; V326-V336 WeakPolarHBondContact O-CA 3.37Å; V336-G386 VanDerWaalsContact CG2-CA 3.45Å; V336-N390 PolarHBondContact N-O 3.06Å; V336-N390 VanDerWaalsContact O-CA 3.31Å; V336-N390 WeakPolarHBondContact O-CA 3.31Å; V336-N390 WeakPolarHBondContact O-CB 3.46Å; V336-N390 PolarHBondContact O-OD1 3.07Å; V336-I392 HydrophobicContact CG1-CG1 4.06Å; V336-I392 HydrophobicContact CG2-CG1 3.97Å
337	K	90.3	Very high	75.9	Confident	80 Å²	80	63.3 Å²	63.3	35%	0.348	35%	0.35	S	S	.	.			trans	-71.1	141.7	177.3	-64.6	-176	-178.4	-179	0	111	V326 Q328 F339	V326-K337 HydrophobicContact CB-CB 4.48Å; V326-K337 HydrophobicContact CB-CD 4.28Å; V326-K337 HydrophobicContact CG1-CD 3.83Å; V326-K337 HydrophobicContact CG1-CG 4.41Å; V326-K337 PolarHBondContact O-N 2.81Å; Q328-K337 HydrophobicContact CB-CG 4.27Å; Q328-K337 HydrophobicContact CG-CG 4.41Å; K337-F339 HydrophobicContact CB-CD2 4.05Å; K337-F339 HydrophobicContact CB-CE1 4.29Å; K337-F339 HydrophobicContact CB-CE2 3.74Å; K337-F339 HydrophobicContact CB-CG 4.48Å; K337-F339 HydrophobicContact CB-CZ 3.87Å; K337-F339 HydrophobicContact CD-CE1 4.1Å; K337-F339 HydrophobicContact CD-CE2 3.81Å; K337-F339 HydrophobicContact CD-CZ 3.35Å; K337-F339 HydrophobicContact CG-CE2 4.4Å; K337-F339 HydrophobicContact CG-CZ 4.26Å
338	H	88.3	Confident	76.1	Confident	53 Å²	53	61.9 Å²	61.9	25%	0.245	34%	0.338	C	S	.	.			trans	-89.3	99.2	171.6	-173.1	-151.3	0	0	0	110.1	R340 T342 G386 D387 A388	H338-R340 PolarHBondContact CD2-O 2.84Å; H338-R340 PolarHBondContact NE2-O 3.09Å; H338-T342 WeakPolarHBondContact CE1-CG2 3.37Å; H338-G386 PolarHBondContact CD2-O 2.7Å; H338-D387 VanDerWaalsContact CB-O 3.28Å; H338-D387 WeakPolarHBondContact CB-O 3.48Å; H338-D387 VanDerWaalsContact CG-C 3.47Å; H338-A388 PolarHBondContact CE1-N 2.77Å; H338-A388 WeakPolarHBondContact ND1-CA 3.48Å
339	F	83.1	Confident	76.5	Confident	87 Å²	87	58.7 Å²	58.7	38%	0.382	33%	0.325	S	S	.	.			trans	-107.5	-4.4	-178.7	-73.6	-48.1	0	0	0	114.9	V326 K337 T345	V326-F339 HydrophobicContact CB-CD2 4.41Å; V326-F339 HydrophobicContact CB-CE2 3.64Å; V326-F339 HydrophobicContact CG1-CE2 4.19Å; V326-F339 HydrophobicContact CG2-CD2 4.25Å; V326-F339 HydrophobicContact CG2-CE2 3.61Å; K337-F339 HydrophobicContact CB-CD2 4.05Å; K337-F339 HydrophobicContact CB-CE1 4.29Å; K337-F339 HydrophobicContact CB-CE2 3.74Å; K337-F339 HydrophobicContact CB-CG 4.48Å; K337-F339 HydrophobicContact CB-CZ 3.87Å; K337-F339 HydrophobicContact CD-CE1 4.1Å; K337-F339 HydrophobicContact CD-CE2 3.81Å; K337-F339 HydrophobicContact CD-CZ 3.35Å; K337-F339 HydrophobicContact CG-CE2 4.4Å; K337-F339 HydrophobicContact CG-CZ 4.26Å; F339-T345 WeakPolarHBondContact O-CB 3.33Å; F339-T345 WeakPolarHBondContact O-CG2 3.35Å
340	R	81.2	Confident	77.3	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.011	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-131.2	146.8	-174.1	-62.4	-178.6	179.8	-118.8	-2	110.1	D324 H338 F346 F347 E352 T385	D324-R340 IonicContact OD2-CZ 3.46Å; D324-R340 IonicContact OD2-NE 2.7Å; D324-R340 PolarHBondContact OD2-NE 3.49Å; D324-R340 IonicContact OD2-NH2 2.6Å; D324-R340 PolarHBondContact OD2-NH2 2.82Å; H338-R340 PolarHBondContact CD2-O 2.84Å; H338-R340 PolarHBondContact NE2-O 3.09Å; R340-F346 VanDerWaalsContact CA-O 3.31Å; R340-F346 WeakPolarHBondContact CA-O 3.19Å; R340-F346 WeakPolarHBondContact CB-O 3.29Å; R340-F347 PolarHBondContact NH1-O 3.08Å; R340-F347 VanDerWaalsContact NH1-O 3.1Å; R340-E352 IonicContact CZ-OE1 2.85Å; R340-E352 IonicContact CZ-OE2 3.92Å; R340-E352 IonicContact NH1-OE1 2.76Å; R340-E352 IonicContact NH1-OE2 3.88Å; R340-E352 PolarHBondContact NH1-OE2 2.78Å; R340-E352 IonicContact NH2-OE1 3.26Å; R340-E352 PolarHBondContact NH2-OE1 3.35Å; R340-E352 IonicContact NH2-OE2 3.08Å; R340-E352 PolarHBondContact NH2-OE2 3.22Å; R340-T385 HydrophobicContact CB-CG2 4.37Å
341	G	69	Low	78.6	Confident	25 Å²	25	54.7 Å²	54.7	26%	0.258	29%	0.29	S	S	.	.	S	Bend	trans	93.5	-1.4	169.4	0	0	0	0	0	118	T345 F346	G341-T345 PolarHBondContact N-OG1 3.28Å; G341-T345 VanDerWaalsContact N-OG1 3.11Å; G341-F346 PolarHBondContact N-O 2.93Å
342	T	61.4	Low	80.2	Confident	54 Å²	54	50 Å²	50	33%	0.331	26%	0.264	S	S	.	.	S	Bend	trans	-101.8	165.8	169.2	71.2	0	0	0	0	112.5	H338 D344 T345	H338-T342 WeakPolarHBondContact CE1-CG2 3.37Å; T342-D344 PolarHBondContact O-N 3.43Å; T342-T345 WeakPolarHBondContact CA-OG1 3.39Å; T342-T345 PolarHBondContact N-OG1 3.37Å; T342-T345 CarbonylContact O-C 3.58Å; T342-T345 WeakPolarHBondContact O-CA 3.27Å; T342-T345 PolarHBondContact O-N 3.03Å; T342-T345 PolarHBondContact O-OG1 3.39Å; T342-T345 WeakPolarHBondContact OG1-CG2 3.48Å; T342-T345 PolarHBondContact OG1-OG1 3.39Å; T342-T345 VanDerWaalsContact OG1-OG1 3.13Å
343	V	56.2	Low	81.8	Confident	73 Å²	73	50.1 Å²	50.1	44%	0.442	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.8	178.6	-179.3	0	0	0	0	112.6	T345 E684 M685	V343-T345 PolarHBondContact O-N 2.93Å; V343-E684 WeakPolarHBondContact CG2-O 3.45Å; V343-M685 HydrophobicContact CB-CE 4.46Å; V343-M685 HydrophobicContact CG2-CE 3.29Å; V343-M685 HydrophobicContact CG2-SD 3.99Å
344	D	57.9	Low	83.1	Confident	156 Å²	156	46 Å²	46	83%	0.834	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	8.9	-179.6	-57.9	-38.7	0	0	0	112.2	T342	T342-D344 PolarHBondContact O-N 3.43Å
345	T	68.3	Low	84.1	Confident	42 Å²	42	47.1 Å²	47.1	26%	0.258	25%	0.247	S	C	.	.	S	Bend	trans	-141	174.2	-175.5	65.4	0	0	0	0	112.1	F339 G341 T342 V343	F339-T345 WeakPolarHBondContact O-CB 3.33Å; F339-T345 WeakPolarHBondContact O-CG2 3.35Å; G341-T345 PolarHBondContact N-OG1 3.28Å; G341-T345 VanDerWaalsContact N-OG1 3.11Å; T342-T345 WeakPolarHBondContact CA-OG1 3.39Å; T342-T345 PolarHBondContact N-OG1 3.37Å; T342-T345 CarbonylContact O-C 3.58Å; T342-T345 WeakPolarHBondContact O-CA 3.27Å; T342-T345 PolarHBondContact O-N 3.03Å; T342-T345 PolarHBondContact O-OG1 3.39Å; T342-T345 WeakPolarHBondContact OG1-CG2 3.48Å; T342-T345 PolarHBondContact OG1-OG1 3.39Å; T342-T345 VanDerWaalsContact OG1-OG1 3.13Å; V343-T345 PolarHBondContact O-N 2.93Å
346	F	77.3	Confident	84.5	Confident	42 Å²	42	45.2 Å²	45.2	18%	0.184	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-111.3	160.6	178.8	59.1	-93.1	0	0	0	112.1	R340 G341 S349 P419 E420	R340-F346 VanDerWaalsContact CA-O 3.31Å; R340-F346 WeakPolarHBondContact CA-O 3.19Å; R340-F346 WeakPolarHBondContact CB-O 3.29Å; G341-F346 PolarHBondContact N-O 2.93Å; F346-S349 VanDerWaalsContact CE2-N 3.33Å; F346-P419 HydrophobicContact CD1-CB 3.85Å; F346-P419 HydrophobicContact CD1-CG 3.52Å; F346-P419 HydrophobicContact CE1-CB 3.63Å; F346-P419 HydrophobicContact CE1-CG 3.37Å; F346-P419 HydrophobicContact CG-CB 4.45Å; F346-P419 HydrophobicContact CZ-CB 4.04Å; F346-P419 HydrophobicContact CZ-CG 4.24Å; F346-E420 HydrophobicContact CB-CB 3.78Å
347	F	87.3	Confident	84.9	Confident	85 Å²	85	45.2 Å²	45.2	37%	0.373	24%	0.235	S	C	.	.	S	Bend	trans	-78.9	-61.9	173.1	-60.8	-72.2	0	0	0	110.8	R340 Y397 L461	R340-F347 PolarHBondContact NH1-O 3.08Å; R340-F347 VanDerWaalsContact NH1-O 3.1Å; F347-Y397 HydrophobicContact CB-CE1 3.88Å; F347-Y397 HydrophobicContact CD1-CE1 4.4Å; F347-Y397 WeakPolarHBondContact CD1-OH 3.32Å; F347-Y397 HydrophobicContact CG-CE1 4.38Å; F347-L461 HydrophobicContact CB-CD1 3.85Å
348	L	92.7	Very high	85.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.235	C	C	.	.	S	Bend	trans	-122.9	145.3	167.9	-65.5	-176.1	0	0	0	108.5	F322 E352 T381 V383 Y397 L461	F322-L348 HydrophobicContact CZ-CD2 4.18Å; L348-E352 WeakPolarHBondContact CA-OE2 3.32Å; L348-E352 HydrophobicContact CB-CB 4.23Å; L348-E352 HydrophobicContact CD2-CB 4.4Å; L348-T381 HydrophobicContact CD1-CG2 4.32Å; L348-V383 HydrophobicContact CD2-CG2 3.35Å; L348-Y397 HydrophobicContact CD1-CD2 4.14Å; L348-Y397 HydrophobicContact CD1-CG 4.02Å; L348-Y397 HydrophobicContact CD2-CD2 3.91Å; L348-Y397 HydrophobicContact CD2-CE2 4.16Å; L348-Y397 HydrophobicContact CG-CD2 3.96Å; L348-Y397 HydrophobicContact CG-CE2 4.31Å; L348-Y397 HydrophobicContact CG-CG 4.16Å; L348-L461 HydrophobicContact CB-CD1 4.07Å; L348-L461 HydrophobicContact CD1-CD1 4.35Å; L348-L461 HydrophobicContact CD1-CD2 3.81Å; L348-L461 HydrophobicContact CG-CD1 4.14Å; L348-L461 HydrophobicContact CG-CD2 4.48Å
349	S	93.6	Very high	85.7	Confident	15 Å²	15	42.5 Å²	42.5	11%	0.105	22%	0.224	C	C	.	.			trans	-68.5	160.3	168.2	75.5	0	0	0	0	109.6	F346 E351 E352 C353 P419	F346-S349 VanDerWaalsContact CE2-N 3.33Å; S349-E351 PolarHBondContact O-N 3.17Å; S349-E352 PolarHBondContact N-OE2 3.16Å; S349-E352 PolarHBondContact O-N 2.69Å; S349-E352 WeakPolarHBondContact OG-CB 3.29Å; S349-E352 VanDerWaalsContact OG-CD 3.25Å; S349-E352 WeakPolarHBondContact OG-CG 3.35Å; S349-E352 PolarHBondContact OG-N 3.01Å; S349-E352 VanDerWaalsContact OG-N 3.1Å; S349-C353 WeakPolarHBondContact O-CB 3.45Å; S349-C353 PolarHBondContact O-N 2.87Å; S349-P419 CarbonylContact C-O 3.32Å; S349-P419 VanDerWaalsContact CA-O 3.24Å; S349-P419 WeakPolarHBondContact CA-O 3.44Å
350	A	95.1	Very high	86.4	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-35.1	175.5	0	0	0	0	0	111.3	C353 I354 P414 P419 L421 V457	A350-C353 PolarHBondContact O-N 3.47Å; A350-I354 WeakPolarHBondContact O-CB 3.39Å; A350-I354 WeakPolarHBondContact O-CD1 3.26Å; A350-I354 WeakPolarHBondContact O-CG1 2.94Å; A350-I354 PolarHBondContact O-N 2.69Å; A350-P414 HydrophobicContact CB-CB 3.91Å; A350-P419 PolarHBondContact N-O 2.94Å; A350-L421 WeakPolarHBondContact CB-O 3.06Å; A350-V457 HydrophobicContact CB-CG2 3.72Å
351	E	95.6	Very high	87.1	Confident	131 Å²	131	40.5 Å²	40.5	61%	0.612	22%	0.217	S	C	*	.	H	α-helix	trans	-67.6	-43.2	176.5	-174.8	171.8	-170.6	0	0	112	S349 I354 T355 P414	S349-E351 PolarHBondContact O-N 3.17Å; E351-I354 PolarHBondContact O-N 2.75Å; E351-T355 WeakPolarHBondContact O-CB 3.42Å; E351-T355 PolarHBondContact O-N 3.47Å; E351-T355 PolarHBondContact O-OG1 3.28Å; E351-P414 HydrophobicContact CB-CB 4.11Å; E351-P414 HydrophobicContact CB-CG 4.43Å
352	E	96.3	Very high	88.4	Confident	32 Å²	32	42.4 Å²	42.4	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-41.4	174.5	-70.7	160.6	-176	0	0	111.5	F322 R340 L348 S349 T355 A356	F322-E352 HydrophobicContact CE2-CG 4.1Å; F322-E352 HydrophobicContact CZ-CB 4.18Å; F322-E352 HydrophobicContact CZ-CG 3.71Å; R340-E352 IonicContact CZ-OE1 2.85Å; R340-E352 IonicContact CZ-OE2 3.92Å; R340-E352 IonicContact NH1-OE1 2.76Å; R340-E352 IonicContact NH1-OE2 3.88Å; R340-E352 PolarHBondContact NH1-OE2 2.78Å; R340-E352 IonicContact NH2-OE1 3.26Å; R340-E352 PolarHBondContact NH2-OE1 3.35Å; R340-E352 IonicContact NH2-OE2 3.08Å; R340-E352 PolarHBondContact NH2-OE2 3.22Å; L348-E352 WeakPolarHBondContact CA-OE2 3.32Å; L348-E352 HydrophobicContact CB-CB 4.23Å; L348-E352 HydrophobicContact CD2-CB 4.4Å; S349-E352 PolarHBondContact N-OE2 3.16Å; S349-E352 PolarHBondContact O-N 2.69Å; S349-E352 WeakPolarHBondContact OG-CB 3.29Å; S349-E352 VanDerWaalsContact OG-CD 3.25Å; S349-E352 WeakPolarHBondContact OG-CG 3.35Å; S349-E352 PolarHBondContact OG-N 3.01Å; S349-E352 VanDerWaalsContact OG-N 3.1Å; E352-T355 PolarHBondContact O-N 2.67Å; E352-A356 VanDerWaalsContact O-CB 3.24Å; E352-A356 WeakPolarHBondContact O-CB 3.36Å; E352-A356 PolarHBondContact O-N 2.64Å
353	C	96.8	Very high	90.1	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-43.2	176.3	-176	0	0	0	0	111.4	S349 A350 A356 A357 V457 L461	S349-C353 WeakPolarHBondContact O-CB 3.45Å; S349-C353 PolarHBondContact O-N 2.87Å; A350-C353 PolarHBondContact O-N 3.47Å; C353-A356 PolarHBondContact O-N 3.01Å; C353-A357 WeakPolarHBondContact O-CB 3.34Å; C353-A357 PolarHBondContact O-N 3.08Å; C353-V457 HydrophobicContact CB-CG1 3.72Å; C353-L461 HydrophobicContact CB-CD2 4.44Å
354	I	97.7	Very high	92	Very high	32 Å²	32	42.4 Å²	42.4	16%	0.164	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-41.6	176.6	-71.2	165.2	0	0	0	110.9	A350 E351 A357 H358 V407 I412 P414	A350-I354 WeakPolarHBondContact O-CB 3.39Å; A350-I354 WeakPolarHBondContact O-CD1 3.26Å; A350-I354 WeakPolarHBondContact O-CG1 2.94Å; A350-I354 PolarHBondContact O-N 2.69Å; E351-I354 PolarHBondContact O-N 2.75Å; I354-A357 PolarHBondContact O-N 3.04Å; I354-H358 PolarHBondContact O-N 2.88Å; I354-V407 HydrophobicContact CB-CG2 4.29Å; I354-V407 HydrophobicContact CG1-CG2 4.05Å; I354-V407 HydrophobicContact CG2-CG1 4.17Å; I354-V407 HydrophobicContact CG2-CG2 4.09Å; I354-I412 HydrophobicContact CD1-CG1 4.37Å; I354-I412 HydrophobicContact CD1-CG2 4.27Å; I354-I412 HydrophobicContact CG1-CG2 4.06Å; I354-P414 HydrophobicContact CD1-CB 4.32Å; I354-P414 HydrophobicContact CD1-CG 4.4Å
355	T	97.5	Very high	93.8	Very high	33 Å²	33	35.1 Å²	35.1	20%	0.202	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-45.7	175.6	-58.2	0	0	0	0	111.1	L298 W320 E351 E352 A357 H358 L359	L298-T355 HydrophobicContact CD1-CG2 4.13Å; L298-T355 HydrophobicContact CD2-CG2 4.11Å; W320-T355 HydrophobicContact CH2-CG2 3.78Å; W320-T355 HydrophobicContact CZ2-CG2 4.05Å; W320-T355 HydrophobicContact CZ3-CG2 4.29Å; E351-T355 WeakPolarHBondContact O-CB 3.42Å; E351-T355 PolarHBondContact O-N 3.47Å; E351-T355 PolarHBondContact O-OG1 3.28Å; E352-T355 PolarHBondContact O-N 2.67Å; T355-A357 VanDerWaalsContact C-N 3.34Å; T355-A357 PolarHBondContact O-N 3.24Å; T355-H358 WeakPolarHBondContact O-CB 3.28Å; T355-H358 PolarHBondContact O-N 2.7Å; T355-L359 HydrophobicContact CG2-CD1 4.22Å; T355-L359 WeakPolarHBondContact O-CG 3.49Å; T355-L359 PolarHBondContact O-N 3.39Å
356	A	98.1	Very high	95.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-41.9	175.2	0	0	0	0	0	112.2	W320 E352 C353 L359 Q360 T381 V399	W320-A356 HydrophobicContact CZ2-CB 4.42Å; E352-A356 VanDerWaalsContact O-CB 3.24Å; E352-A356 WeakPolarHBondContact O-CB 3.36Å; E352-A356 PolarHBondContact O-N 2.64Å; C353-A356 PolarHBondContact O-N 3.01Å; A356-L359 PolarHBondContact O-N 3.26Å; A356-Q360 WeakPolarHBondContact O-CB 3.44Å; A356-Q360 PolarHBondContact O-N 3.18Å; A356-T381 HydrophobicContact CB-CG2 4.37Å; A356-T381 WeakPolarHBondContact CB-OG1 3.24Å; A356-V399 HydrophobicContact CB-CG1 3.84Å
357	A	98.2	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-40.6	175.2	0	0	0	0	0	112.4	C353 I354 T355 Q360 N361 V399 V407	C353-A357 WeakPolarHBondContact O-CB 3.34Å; C353-A357 PolarHBondContact O-N 3.08Å; I354-A357 PolarHBondContact O-N 3.04Å; T355-A357 VanDerWaalsContact C-N 3.34Å; T355-A357 PolarHBondContact O-N 3.24Å; A357-Q360 PolarHBondContact O-N 3.18Å; A357-N361 WeakPolarHBondContact O-CB 3.47Å; A357-N361 PolarHBondContact O-N 2.99Å; A357-N361 PolarHBondContact O-ND2 3.17Å; A357-V399 VanDerWaalsContact CA-CG2 3.49Å; A357-V399 HydrophobicContact CB-CG2 3.69Å; A357-V407 HydrophobicContact CB-CB 3.78Å; A357-V407 HydrophobicContact CB-CG1 4.08Å; A357-V407 HydrophobicContact CB-CG2 3.59Å
358	H	97.7	Very high	95.7	Very high	72 Å²	72	37.7 Å²	37.7	33%	0.333	18%	0.184	S	C	.	.	H	α-helix	trans	-62.2	-47.4	175	-173.1	90.4	0	0	0	111	L298 I354 T355 Q360 N361 L362 V407	L298-H358 WeakPolarHBondContact CB-CD2 3.5Å; L298-H358 HydrophobicContact CD1-CB 4.06Å; L298-H358 WeakPolarHBondContact CD1-CD2 3.19Å; I354-H358 PolarHBondContact O-N 2.88Å; T355-H358 WeakPolarHBondContact O-CB 3.28Å; T355-H358 PolarHBondContact O-N 2.7Å; H358-Q360 PolarHBondContact O-N 3.05Å; H358-N361 WeakPolarHBondContact O-CB 3.04Å; H358-N361 PolarHBondContact O-N 2.88Å; H358-N361 VanDerWaalsContact O-N 3.15Å; H358-L362 WeakPolarHBondContact O-CG 3.38Å; H358-L362 PolarHBondContact O-N 2.74Å; H358-L362 VanDerWaalsContact O-N 3.14Å; H358-V407 HydrophobicContact CB-CG1 4.26Å
359	L	98	Very high	95.4	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.7	-69.5	168.5	0	0	0	112.2	L298 W320 T355 A356 N361 L362 H363 F379	L298-L359 HydrophobicContact CB-CD2 4.45Å; L298-L359 HydrophobicContact CD2-CD2 4.15Å; L298-L359 HydrophobicContact CD2-CG 4.44Å; W320-L359 HydrophobicContact CB-CD1 4.23Å; W320-L359 HydrophobicContact CD2-CD1 3.54Å; W320-L359 HydrophobicContact CE3-CD1 4.13Å; W320-L359 HydrophobicContact CG-CD1 3.57Å; W320-L359 HydrophobicContact CZ2-CD1 4.37Å; T355-L359 HydrophobicContact CG2-CD1 4.22Å; T355-L359 WeakPolarHBondContact O-CG 3.49Å; T355-L359 PolarHBondContact O-N 3.39Å; A356-L359 PolarHBondContact O-N 3.26Å; L359-N361 VanDerWaalsContact C-N 3.3Å; L359-N361 PolarHBondContact O-N 3.36Å; L359-L362 HydrophobicContact CD2-CD1 4.33Å; L359-L362 WeakPolarHBondContact O-CB 3.2Å; L359-L362 PolarHBondContact O-N 3Å; L359-L362 VanDerWaalsContact O-N 3.1Å; L359-H363 PolarHBondContact O-CD2 3.18Å; L359-H363 PolarHBondContact O-N 2.8Å; L359-F379 HydrophobicContact CB-CD1 4.01Å; L359-F379 HydrophobicContact CB-CE1 3.65Å; L359-F379 HydrophobicContact CB-CZ 4.41Å; L359-F379 HydrophobicContact CD1-CE1 4.18Å; L359-F379 HydrophobicContact CG-CE1 4.39Å
360	Q	98.3	Very high	95.2	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-37.1	173.3	-85	-176.8	-147.5	0	0	112.8	A356 A357 H358 L362 H363 S377 F379 Q398 V399 M404	A356-Q360 WeakPolarHBondContact O-CB 3.44Å; A356-Q360 PolarHBondContact O-N 3.18Å; A357-Q360 PolarHBondContact O-N 3.18Å; H358-Q360 PolarHBondContact O-N 3.05Å; Q360-L362 VanDerWaalsContact C-N 3.26Å; Q360-L362 PolarHBondContact O-N 3.12Å; Q360-H363 CarbonylContact O-C 3.31Å; Q360-H363 VanDerWaalsContact O-C 3.24Å; Q360-H363 PolarHBondContact O-N 2.89Å; Q360-H363 VanDerWaalsContact O-N 3.13Å; Q360-S377 WeakPolarHBondContact O-CB 3.47Å; Q360-S377 PolarHBondContact O-OG 2.98Å; Q360-F379 HydrophobicContact CG-CB 4.04Å; Q360-F379 PolarHBondContact OE1-O 3.21Å; Q360-Q398 VanDerWaalsContact OE1-CA 3.31Å; Q360-V399 VanDerWaalsContact CD-CG2 3.49Å; Q360-V399 HydrophobicContact CG-CG2 4.45Å; Q360-V399 PolarHBondContact NE2-O 3.13Å; Q360-M404 HydrophobicContact CB-CE 4.02Å; Q360-M404 HydrophobicContact CB-CG 4.11Å; Q360-M404 HydrophobicContact CB-SD 4.01Å; Q360-M404 PolarHBondContact NE2-SD 3.05Å
361	N	97.1	Very high	94.8	Very high	47 Å²	47	42.7 Å²	42.7	25%	0.251	21%	0.214	S	C	.	.	H	α-helix	trans	-66.9	-26.6	175.3	-80.4	-46.8	0	0	0	112.9	A357 H358 L359 H363 M404	A357-N361 WeakPolarHBondContact O-CB 3.47Å; A357-N361 PolarHBondContact O-N 2.99Å; A357-N361 PolarHBondContact O-ND2 3.17Å; H358-N361 WeakPolarHBondContact O-CB 3.04Å; H358-N361 PolarHBondContact O-N 2.88Å; H358-N361 VanDerWaalsContact O-N 3.15Å; L359-N361 VanDerWaalsContact C-N 3.3Å; L359-N361 PolarHBondContact O-N 3.36Å; N361-H363 VanDerWaalsContact C-N 3.3Å; N361-M404 PolarHBondContact ND2-O 2.95Å
362	L	96.4	Very high	94.4	Very high	65 Å²	65	41.6 Å²	41.6	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-77.2	-17.7	173	-64.9	168.1	0	0	0	112.8	L298 D299 H358 L359 Q360 P364	L298-L362 HydrophobicContact CB-CD1 4.32Å; L298-L362 WeakPolarHBondContact O-CD1 3.3Å; D299-L362 HydrophobicContact CB-CD1 4.27Å; D299-L362 HydrophobicContact CB-CD2 3.84Å; H358-L362 WeakPolarHBondContact O-CG 3.38Å; H358-L362 PolarHBondContact O-N 2.74Å; H358-L362 VanDerWaalsContact O-N 3.14Å; L359-L362 HydrophobicContact CD2-CD1 4.33Å; L359-L362 WeakPolarHBondContact O-CB 3.2Å; L359-L362 PolarHBondContact O-N 3Å; L359-L362 VanDerWaalsContact O-N 3.1Å; Q360-L362 VanDerWaalsContact C-N 3.26Å; Q360-L362 PolarHBondContact O-N 3.12Å; L362-P364 VanDerWaalsContact C-CD 3.41Å; L362-P364 WeakPolarHBondContact O-CD 3.41Å
363	H	96.5	Very high	94	Very high	59 Å²	59	41.3 Å²	41.3	27%	0.273	22%	0.218	S	C	.	.	S	Bend	trans	-124	63.7	-179.2	-62.2	-69.7	0	0	0	111.4	L359 Q360 N361 S377 F379	L359-H363 PolarHBondContact O-CD2 3.18Å; L359-H363 PolarHBondContact O-N 2.8Å; Q360-H363 CarbonylContact O-C 3.31Å; Q360-H363 VanDerWaalsContact O-C 3.24Å; Q360-H363 PolarHBondContact O-N 2.89Å; Q360-H363 VanDerWaalsContact O-N 3.13Å; N361-H363 VanDerWaalsContact C-N 3.3Å; H363-S377 VanDerWaalsContact O-CB 3.31Å; H363-S377 WeakPolarHBondContact O-CB 3.28Å; H363-S377 PolarHBondContact O-OG 2.86Å; H363-F379 HydrophobicContact CB-CB 3.9Å; H363-F379 HydrophobicContact CB-CD2 3.97Å; H363-F379 HydrophobicContact CB-CG 4.18Å; H363-F379 AromaticContact CD2-CD2 3.27Å; H363-F379 WeakPolarHBondContact CD2-CD2 3.35Å; H363-F379 AromaticContact CD2-CE2 3.37Å; H363-F379 WeakPolarHBondContact CD2-CE2 3.47Å; H363-F379 AromaticContact CD2-CG 3.82Å; H363-F379 AromaticContact CD2-CZ 3.99Å; H363-F379 AromaticContact CG-CD2 3.62Å; H363-F379 AromaticContact NE2-CD2 3.93Å; H363-F379 AromaticContact NE2-CE2 3.57Å
364	P	96.1	Very high	93.8	Very high	68 Å²	68	43.1 Å²	43.1	44%	0.442	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	142.5	-177.6	29	-35.5	0	0	0	111.7	L362 C374	L362-P364 VanDerWaalsContact C-CD 3.41Å; L362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-C374 HydrophobicContact CB-CB 4.03Å
365	N	96.2	Very high	93.7	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116	174	171.9	57.1	0	0	0	110.1	C367 C374 F375 G376 K378	N365-C367 PolarHBondContact O-N 2.81Å; N365-C374 CarbonylContact O-C 3.58Å; N365-C374 WeakPolarHBondContact O-CA 3.37Å; N365-C374 WeakPolarHBondContact O-CB 3.41Å; N365-F375 WeakPolarHBondContact CB-O 3.29Å; N365-F375 PolarHBondContact ND2-O 2.85Å; N365-F375 VanDerWaalsContact ND2-O 3.1Å; N365-F375 PolarHBondContact O-N 3.49Å; N365-G376 PolarHBondContact N-O 2.76Å; N365-K378 PolarHBondContact OD1-NZ 3.46Å
366	I	94.5	Very high	93.6	Very high	44 Å²	44	40.7 Å²	40.7	23%	0.226	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.3	176.9	-61.8	163.3	0	0	0	108.7	P109 V110 E111 G373	P109-I366 HydrophobicContact CB-CD1 3.75Å; P109-I366 HydrophobicContact CB-CG1 4.13Å; P109-I366 HydrophobicContact CB-CG2 4.16Å; V110-I366 VanDerWaalsContact O-CD1 3.24Å; V110-I366 WeakPolarHBondContact O-CD1 3.2Å; E111-I366 HydrophobicContact CG-CG2 3.93Å; I366-G373 WeakPolarHBondContact CA-O 3.41Å
367	C	91	Very high	93.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.217	C	C	.	.			trans	-147.4	115.4	-176.9	-175.3	0	0	0	0	110.9	N365 L369 S370 G373 F375	N365-C367 PolarHBondContact O-N 2.81Å; C367-L369 PolarHBondContact O-N 3.45Å; C367-L369 VanDerWaalsContact O-N 3.15Å; C367-S370 PolarHBondContact O-N 2.91Å; C367-S370 VanDerWaalsContact O-N 3.15Å; C367-G373 PolarHBondContact N-O 3.28Å; C367-G373 CarbonylContact O-C 3.5Å; C367-F375 HydrophobicContact CB-CB 3.82Å
368	R	86.7	Confident	93.6	Very high	176 Å²	176	41 Å²	41	66%	0.664	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.1	-179.8	69.6	-171	172.9	79	2	115.6	E111 S370	E111-R368 WeakPolarHBondContact OE1-CB 3.49Å; E111-R368 VanDerWaalsContact OE1-CG 3.28Å; E111-R368 WeakPolarHBondContact OE1-CG 3.5Å; E111-R368 PolarHBondContact OE1-N 3.08Å; R368-S370 VanDerWaalsContact C-N 3.34Å
369	L	86.9	Confident	93.6	Very high	37 Å²	37	37.6 Å²	37.6	19%	0.194	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.7	179.5	-65.2	175.6	0	0	0	112.4	L172 T176 L187 C367	L172-L369 HydrophobicContact CB-CD1 4.43Å; L172-L369 HydrophobicContact CD1-CD1 4.22Å; L172-L369 HydrophobicContact CD2-CD1 3.89Å; L172-L369 HydrophobicContact CG-CD1 4.41Å; T176-L369 HydrophobicContact CG2-CD1 4.06Å; L187-L369 HydrophobicContact CD1-CB 4.01Å; L187-L369 PolarHBondContact N-O 3.42Å; C367-L369 PolarHBondContact O-N 3.45Å; C367-L369 VanDerWaalsContact O-N 3.15Å
370	S	89.3	Confident	93.7	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.049	20%	0.202	C	C	.	.	S	Bend	trans	-92.5	135.5	173.7	-173.5	0	0	0	0	111.1	L187 C367 R368 D372 G373 C374	L187-S370 WeakPolarHBondContact O-CA 3.41Å; L187-S370 VanDerWaalsContact O-CB 3.28Å; L187-S370 WeakPolarHBondContact O-CB 3.2Å; L187-S370 PolarHBondContact O-OG 3.25Å; C367-S370 PolarHBondContact O-N 2.91Å; C367-S370 VanDerWaalsContact O-N 3.15Å; R368-S370 VanDerWaalsContact C-N 3.34Å; S370-D372 PolarHBondContact O-N 2.75Å; S370-D372 PolarHBondContact OG-N 2.76Å; S370-G373 PolarHBondContact O-N 2.82Å; S370-C374 WeakPolarHBondContact CB-O 3.31Å; S370-C374 PolarHBondContact OG-O 3.14Å
371	P	86.5	Confident	93.7	Very high	79 Å²	79	37.3 Å²	37.3	51%	0.513	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31	173.1	-24.6	34.7	0	0	0	113.8	F186 L187 E188 G373	F186-P371 HydrophobicContact CB-CG 4.1Å; F186-P371 HydrophobicContact CD1-CG 4.16Å; F186-P371 HydrophobicContact CG-CG 4.43Å; L187-P371 WeakPolarHBondContact O-CD 3.21Å; E188-P371 HydrophobicContact CG-CG 4.41Å; P371-G373 VanDerWaalsContact C-N 3.27Å; P371-G373 PolarHBondContact O-N 3.15Å
372	D	85.8	Confident	93.7	Very high	108 Å²	108	35.1 Å²	35.1	58%	0.578	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	179.8	-57.5	-35.4	0	0	0	112.7	N189 S370 C374	N189-D372 PolarHBondContact ND2-OD2 2.82Å; S370-D372 PolarHBondContact O-N 2.75Å; S370-D372 PolarHBondContact OG-N 2.76Å; D372-C374 PolarHBondContact O-N 2.72Å
373	G	89.5	Confident	93.8	Very high	27 Å²	27	32 Å²	32	28%	0.278	17%	0.173	S	C	.	.	S	Bend	trans	76.2	-4.3	-175.7	0	0	0	0	0	115	I366 C367 S370 P371	I366-G373 WeakPolarHBondContact CA-O 3.41Å; C367-G373 PolarHBondContact N-O 3.28Å; C367-G373 CarbonylContact O-C 3.5Å; S370-G373 PolarHBondContact O-N 2.82Å; P371-G373 VanDerWaalsContact C-N 3.27Å; P371-G373 PolarHBondContact O-N 3.15Å
374	C	92.5	Very high	93.8	Very high	40 Å²	40	29.2 Å²	29.2	27%	0.27	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.6	176.1	63.4	0	0	0	0	112	N189 P364 N365 S370 D372	N189-C374 PolarHBondContact ND2-O 3.46Å; P364-C374 HydrophobicContact CB-CB 4.03Å; N365-C374 CarbonylContact O-C 3.58Å; N365-C374 WeakPolarHBondContact O-CA 3.37Å; N365-C374 WeakPolarHBondContact O-CB 3.41Å; S370-C374 WeakPolarHBondContact CB-O 3.31Å; S370-C374 PolarHBondContact OG-O 3.14Å; D372-C374 PolarHBondContact O-N 2.72Å
375	F	94.4	Very high	93.6	Very high	11 Å²	11	26 Å²	26	5%	0.048	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	115.6	178.2	-171.1	-103.2	0	0	0	111	F168 L187 Y224 H226 N365 C367 N401	F168-F375 AromaticContact CE2-CD1 3.51Å; F168-F375 HydrophobicContact CE2-CD1 3.51Å; F168-F375 AromaticContact CE2-CE1 3.78Å; F168-F375 HydrophobicContact CE2-CE1 3.78Å; F168-F375 AromaticContact CZ-CD1 3.78Å; F168-F375 HydrophobicContact CZ-CD1 3.78Å; F168-F375 HydrophobicContact CZ-CE1 4.48Å; L187-F375 HydrophobicContact CB-CD1 4.47Å; L187-F375 HydrophobicContact CB-CD2 3.72Å; L187-F375 HydrophobicContact CB-CE2 3.89Å; L187-F375 HydrophobicContact CB-CG 4.02Å; L187-F375 HydrophobicContact CB-CZ 4.34Å; L187-F375 HydrophobicContact CD1-CD1 4.07Å; L187-F375 HydrophobicContact CD1-CE1 4.29Å; L187-F375 HydrophobicContact CD1-CG 4.26Å; L187-F375 HydrophobicContact CD2-CD1 4.35Å; L187-F375 HydrophobicContact CD2-CE1 3.8Å; L187-F375 HydrophobicContact CD2-CE2 4.02Å; L187-F375 HydrophobicContact CD2-CZ 3.63Å; L187-F375 HydrophobicContact CG-CE1 4.48Å; L187-F375 HydrophobicContact CG-CE2 4.49Å; L187-F375 HydrophobicContact CG-CZ 4.45Å; Y224-F375 HydrophobicContact CE2-CE1 4.15Å; Y224-F375 AromaticContact CZ-CE1 3.91Å; Y224-F375 WeakPolarHBondContact OH-CE1 3.24Å; Y224-F375 VanDerWaalsContact OH-CZ 3.23Å; Y224-F375 WeakPolarHBondContact OH-CZ 3.3Å; H226-F375 PolarHBondContact NE2-O 3.4Å; N365-F375 WeakPolarHBondContact CB-O 3.29Å; N365-F375 PolarHBondContact ND2-O 2.85Å; N365-F375 VanDerWaalsContact ND2-O 3.1Å; N365-F375 PolarHBondContact O-N 3.49Å; C367-F375 HydrophobicContact CB-CB 3.82Å; F375-N401 WeakPolarHBondContact CE1-ND2 3.36Å; F375-N401 WeakPolarHBondContact CZ-ND2 3.28Å
376	G	95.7	Very high	93.4	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-156.5	-177.4	0	0	0	0	0	113.7	N365 N401	N365-G376 PolarHBondContact N-O 2.76Å; G376-N401 WeakPolarHBondContact CA-OD1 3.38Å
377	S	97.9	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.3	179.6	179.3	0	0	0	0	110.7	H226 Q360 H363 F379 Q398	H226-S377 VanDerWaalsContact CB-O 3.29Å; H226-S377 WeakPolarHBondContact CB-O 3.42Å; H226-S377 PolarHBondContact ND1-O 2.87Å; Q360-S377 WeakPolarHBondContact O-CB 3.47Å; Q360-S377 PolarHBondContact O-OG 2.98Å; H363-S377 VanDerWaalsContact O-CB 3.31Å; H363-S377 WeakPolarHBondContact O-CB 3.28Å; H363-S377 PolarHBondContact O-OG 2.86Å; S377-F379 WeakPolarHBondContact OG-CB 2.86Å; S377-F379 PolarHBondContact OG-N 2.91Å; S377-Q398 PolarHBondContact O-NE2 3.04Å
378	K	98.3	Very high	93.1	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.022	17%	0.168	C	C	.	.			trans	-92.5	-4.3	168.8	-73.4	-171.2	-63.7	-80.6	0	112.9	D112 D115 H226 V227 Y260 I273 N365 T380 Q398	D112-K378 WeakPolarHBondContact OD2-CE 3.48Å; D112-K378 IonicContact OD2-NZ 3.19Å; D112-K378 PolarHBondContact OD2-NZ 2.98Å; D115-K378 IonicContact OD1-NZ 2.76Å; D115-K378 IonicContact OD2-NZ 3.16Å; D115-K378 PolarHBondContact OD2-NZ 2.83Å; H226-K378 HydrophobicContact CB-CG 3.83Å; V227-K378 HydrophobicContact CG2-CB 3.91Å; V227-K378 HydrophobicContact CG2-CG 4.24Å; V227-K378 WeakPolarHBondContact CG2-O 3.49Å; Y260-K378 HydrophobicContact CD1-CB 4.33Å; Y260-K378 HydrophobicContact CD1-CD 4.36Å; Y260-K378 HydrophobicContact CD2-CB 4.39Å; Y260-K378 HydrophobicContact CD2-CD 4.06Å; Y260-K378 VanDerWaalsContact CD2-CE 3.47Å; Y260-K378 HydrophobicContact CE1-CB 3.71Å; Y260-K378 WeakPolarHBondContact CE1-O 3.48Å; Y260-K378 HydrophobicContact CE2-CB 3.79Å; Y260-K378 HydrophobicContact CE2-CD 4.28Å; Y260-K378 HydrophobicContact CG-CD 4.12Å; Y260-K378 VanDerWaalsContact CZ-CB 3.41Å; Y260-K378 WeakPolarHBondContact OH-CB 3.49Å; Y260-K378 PolarHBondContact OH-O 3.08Å; I273-K378 HydrophobicContact CD1-CD 4.47Å; N365-K378 PolarHBondContact OD1-NZ 3.46Å; K378-T380 PolarHBondContact O-N 3.39Å; K378-Q398 VanDerWaalsContact C-NE2 3.34Å
379	F	98.6	Very high	93.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	16%	0.161	C	C	.	.			trans	-66.1	134.2	-179.4	-163.8	-95	0	0	0	109.9	Y260 P317 V318 G319 W320 L359 Q360 H363 S377 Q398	Y260-F379 PolarHBondContact OH-N 3.14Å; P317-F379 HydrophobicContact CB-CE2 3.88Å; V318-F379 WeakPolarHBondContact O-CA 3.33Å; G319-F379 VanDerWaalsContact CA-CE2 3.48Å; G319-F379 VanDerWaalsContact CA-CZ 3.42Å; G319-F379 WeakPolarHBondContact O-CZ 3.21Å; W320-F379 HydrophobicContact CB-CE1 4.18Å; W320-F379 HydrophobicContact CB-CZ 4.24Å; W320-F379 AromaticContact CD1-CE1 3.69Å; W320-F379 HydrophobicContact CG-CE1 4.22Å; L359-F379 HydrophobicContact CB-CD1 4.01Å; L359-F379 HydrophobicContact CB-CE1 3.65Å; L359-F379 HydrophobicContact CB-CZ 4.41Å; L359-F379 HydrophobicContact CD1-CE1 4.18Å; L359-F379 HydrophobicContact CG-CE1 4.39Å; Q360-F379 HydrophobicContact CG-CB 4.04Å; Q360-F379 PolarHBondContact OE1-O 3.21Å; H363-F379 HydrophobicContact CB-CB 3.9Å; H363-F379 HydrophobicContact CB-CD2 3.97Å; H363-F379 HydrophobicContact CB-CG 4.18Å; H363-F379 AromaticContact CD2-CD2 3.27Å; H363-F379 WeakPolarHBondContact CD2-CD2 3.35Å; H363-F379 AromaticContact CD2-CE2 3.37Å; H363-F379 WeakPolarHBondContact CD2-CE2 3.47Å; H363-F379 AromaticContact CD2-CG 3.82Å; H363-F379 AromaticContact CD2-CZ 3.99Å; H363-F379 AromaticContact CG-CD2 3.62Å; H363-F379 AromaticContact NE2-CD2 3.93Å; H363-F379 AromaticContact NE2-CE2 3.57Å; S377-F379 WeakPolarHBondContact OG-CB 2.86Å; S377-F379 PolarHBondContact OG-N 2.91Å; F379-Q398 PolarHBondContact O-NE2 2.96Å
380	T	98.7	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	157.5	-175.8	62.9	0	0	0	0	112.2	V227 V230 M256 A275 V318 G319 W320 K378 Q398 M464	V227-T380 HydrophobicContact CB-CG2 3.88Å; V227-T380 HydrophobicContact CG1-CG2 3.89Å; V227-T380 HydrophobicContact CG2-CG2 4.03Å; V230-T380 HydrophobicContact CG2-CG2 4.01Å; M256-T380 WeakPolarHBondContact CE-OG1 3.34Å; A275-T380 HydrophobicContact CB-CG2 4.41Å; V318-T380 PolarHBondContact O-N 2.89Å; V318-T380 PolarHBondContact O-OG1 2.78Å; G319-T380 CarbonylContact C-O 3.55Å; G319-T380 WeakPolarHBondContact CA-O 3.46Å; W320-T380 PolarHBondContact N-O 2.81Å; K378-T380 PolarHBondContact O-N 3.39Å; T380-Q398 HydrophobicContact CG2-CG 4.16Å; T380-M464 HydrophobicContact CG2-SD 4.26Å
381	T	98.7	Very high	93.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.1	173.3	-59.9	0	0	0	0	108.2	W320 F322 L348 A356 A396 Y397	W320-T381 HydrophobicContact CZ2-CG2 3.91Å; W320-T381 VanDerWaalsContact NE1-CG2 3.26Å; W320-T381 PolarHBondContact NE1-OG1 3.11Å; F322-T381 HydrophobicContact CE1-CG2 3.77Å; L348-T381 HydrophobicContact CD1-CG2 4.32Å; A356-T381 HydrophobicContact CB-CG2 4.37Å; A356-T381 WeakPolarHBondContact CB-OG1 3.24Å; T381-A396 CarbonylContact O-C 3.58Å; T381-A396 VanDerWaalsContact O-CA 3.28Å; T381-A396 WeakPolarHBondContact O-CA 3.48Å; T381-Y397 PolarHBondContact N-O 3.29Å; T381-Y397 PolarHBondContact O-N 3.49Å
382	V	98.4	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.6	175.2	178.7	0	0	0	0	109.8	V230 F232 M256 W320 I321 F322 F394 E395 A396	V230-V382 HydrophobicContact CG1-CG2 4.14Å; V230-V382 HydrophobicContact CG2-CG2 4.48Å; F232-V382 HydrophobicContact CZ-CG1 4.15Å; F232-V382 HydrophobicContact CZ-CG2 4.34Å; M256-V382 HydrophobicContact CE-CB 4.26Å; M256-V382 HydrophobicContact CE-CG2 3.54Å; M256-V382 HydrophobicContact SD-CB 4.19Å; M256-V382 HydrophobicContact SD-CG2 3.76Å; W320-V382 PolarHBondContact O-N 2.89Å; I321-V382 CarbonylContact C-O 3.46Å; I321-V382 VanDerWaalsContact CA-O 3.24Å; I321-V382 WeakPolarHBondContact CA-O 3.44Å; I321-V382 HydrophobicContact CB-CB 4.16Å; I321-V382 HydrophobicContact CD1-CB 4.33Å; I321-V382 HydrophobicContact CD1-CG1 3.91Å; I321-V382 HydrophobicContact CG1-CB 3.97Å; I321-V382 HydrophobicContact CG1-CG1 3.93Å; F322-V382 PolarHBondContact N-O 3.46Å; V382-F394 HydrophobicContact CG1-CB 4.35Å; V382-E395 CarbonylContact C-O 3.08Å; V382-E395 WeakPolarHBondContact CA-O 3.35Å; V382-A396 HydrophobicContact CG2-CB 4.09Å
383	V	96.9	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.4	172.5	-170.6	0	0	0	0	109	F322 D324 L348 T385 F394 E395 Y397	F322-V383 HydrophobicContact CD2-CG1 4.36Å; F322-V383 HydrophobicContact CE1-CG2 3.76Å; F322-V383 HydrophobicContact CE2-CB 4.39Å; F322-V383 HydrophobicContact CE2-CG1 3.82Å; F322-V383 HydrophobicContact CE2-CG2 3.91Å; F322-V383 HydrophobicContact CZ-CB 4.29Å; F322-V383 HydrophobicContact CZ-CG1 4.18Å; F322-V383 HydrophobicContact CZ-CG2 3.36Å; F322-V383 WeakPolarHBondContact O-CA 3.43Å; D324-V383 HydrophobicContact CB-CG1 4.36Å; L348-V383 HydrophobicContact CD2-CG2 3.35Å; V383-T385 HydrophobicContact CG1-CG2 4.48Å; V383-F394 WeakPolarHBondContact O-CA 3.45Å; V383-E395 PolarHBondContact N-O 3.19Å; V383-E395 PolarHBondContact O-N 2.78Å; V383-Y397 HydrophobicContact CG2-CD2 4.4Å; V383-Y397 HydrophobicContact CG2-CE2 4.37Å
384	V	96.2	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.7	170.4	-163.9	0	0	0	0	108.5	F241 L242 I321 F322 T323 D324 L325 I392 H393 F394	F241-V384 HydrophobicContact CE1-CG2 4.16Å; L242-V384 HydrophobicContact CD2-CG1 3.93Å; I321-V384 HydrophobicContact CD1-CG2 3.63Å; I321-V384 HydrophobicContact CG1-CG2 3.67Å; F322-V384 PolarHBondContact O-N 2.84Å; T323-V384 HydrophobicContact CG2-CB 4.16Å; T323-V384 HydrophobicContact CG2-CG2 4.32Å; D324-V384 PolarHBondContact N-O 2.89Å; L325-V384 HydrophobicContact CD1-CG1 4.2Å; L325-V384 HydrophobicContact CD2-CG1 4.47Å; V384-I392 HydrophobicContact CG1-CG2 3.54Å; V384-H393 WeakPolarHBondContact CA-O 3.47Å; V384-F394 HydrophobicContact CB-CD1 4.23Å; V384-F394 HydrophobicContact CB-CE1 4.29Å; V384-F394 HydrophobicContact CG1-CD1 3.78Å; V384-F394 HydrophobicContact CG1-CE1 3.49Å; V384-F394 VanDerWaalsContact CG1-CE1 3.49Å; V384-F394 HydrophobicContact CG1-CZ 4.43Å; V384-F394 HydrophobicContact CG2-CD1 3.83Å; V384-F394 HydrophobicContact CG2-CE1 3.96Å
385	T	93.7	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171.1	-172.7	178.9	0	0	0	0	110.4	R340 V383 H393 E395	R340-T385 HydrophobicContact CB-CG2 4.37Å; V383-T385 HydrophobicContact CG1-CG2 4.48Å; T385-H393 PolarHBondContact N-O 3.34Å; T385-H393 PolarHBondContact O-N 2.84Å; T385-H393 VanDerWaalsContact O-O 3.05Å; T385-E395 HydrophobicContact CG2-CG 4.38Å
386	G	91.6	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	150.2	166.3	0	0	0	0	0	112.1	V336 H338 H391	V336-G386 VanDerWaalsContact CG2-CA 3.45Å; H338-G386 PolarHBondContact CD2-O 2.7Å; G386-H391 CarbonylContact C-O 3.58Å; G386-H391 VanDerWaalsContact CA-O 3.3Å; G386-H391 WeakPolarHBondContact CA-O 3.4Å
387	D	89.8	Confident	94.5	Very high	38 Å²	38	25.3 Å²	25.3	20%	0.203	14%	0.143	C	C	.	.			trans	-99.3	-179.6	170.4	69.3	8.2	0	0	0	113	H338 S389 N390 H391 H393	H338-D387 VanDerWaalsContact CB-O 3.28Å; H338-D387 WeakPolarHBondContact CB-O 3.48Å; H338-D387 VanDerWaalsContact CG-C 3.47Å; D387-S389 PolarHBondContact O-N 2.99Å; D387-S389 VanDerWaalsContact O-N 3.09Å; D387-S389 WeakPolarHBondContact OD1-CA 3.32Å; D387-S389 WeakPolarHBondContact OD1-CB 3.48Å; D387-S389 PolarHBondContact OD1-N 3.35Å; D387-N390 WeakPolarHBondContact O-CA 3.16Å; D387-N390 PolarHBondContact O-N 3.42Å; D387-N390 PolarHBondContact OD1-N 3.5Å; D387-H391 PolarHBondContact N-O 3.35Å; D387-H391 PolarHBondContact OD1-N 2.89Å; D387-H393 HydrophobicContact CB-CB 3.7Å
388	A	88.4	Confident	94.5	Very high	79 Å²	79	25.4 Å²	25.4	65%	0.653	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.3	175.8	0	0	0	0	0	114.4	H338 N390	H338-A388 PolarHBondContact CE1-N 2.77Å; H338-A388 WeakPolarHBondContact ND1-CA 3.48Å; A388-N390 VanDerWaalsContact C-N 3.33Å
389	S	90.7	Very high	94.5	Very high	75 Å²	75	25.3 Å²	25.3	52%	0.524	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	5.7	174.6	-55.3	0	0	0	0	112.5	D387 H391	D387-S389 PolarHBondContact O-N 2.99Å; D387-S389 VanDerWaalsContact O-N 3.09Å; D387-S389 WeakPolarHBondContact OD1-CA 3.32Å; D387-S389 WeakPolarHBondContact OD1-CB 3.48Å; D387-S389 PolarHBondContact OD1-N 3.35Å; S389-H391 WeakPolarHBondContact CB-ND1 3.48Å; S389-H391 PolarHBondContact O-CE1 3.34Å; S389-H391 PolarHBondContact O-N 2.82Å; S389-H391 PolarHBondContact O-ND1 2.96Å
390	N	90.4	Very high	94.4	Very high	46 Å²	46	25.3 Å²	25.3	25%	0.246	14%	0.143	C	C	.	.	S	Bend	trans	59.8	25.9	-174.6	-56.5	-66.9	0	0	0	114.3	V335 V336 D387 A388	V335-N390 WeakPolarHBondContact CA-O 3.35Å; V335-N390 HydrophobicContact CG1-CB 3.39Å; V335-N390 WeakPolarHBondContact CG1-O 3.31Å; V336-N390 PolarHBondContact N-O 3.06Å; V336-N390 VanDerWaalsContact O-CA 3.31Å; V336-N390 WeakPolarHBondContact O-CA 3.31Å; V336-N390 WeakPolarHBondContact O-CB 3.46Å; V336-N390 PolarHBondContact O-OD1 3.07Å; D387-N390 WeakPolarHBondContact O-CA 3.16Å; D387-N390 PolarHBondContact O-N 3.42Å; D387-N390 PolarHBondContact OD1-N 3.5Å; A388-N390 VanDerWaalsContact C-N 3.33Å
391	H	91.3	Very high	94.3	Very high	99 Å²	99	26.1 Å²	26.1	46%	0.458	15%	0.147	S	C	.	.	S	Bend	trans	-98.7	157.1	172.6	-65.7	85.6	0	0	0	110.6	G386 D387 S389 H393	G386-H391 CarbonylContact C-O 3.58Å; G386-H391 VanDerWaalsContact CA-O 3.3Å; G386-H391 WeakPolarHBondContact CA-O 3.4Å; D387-H391 PolarHBondContact N-O 3.35Å; D387-H391 PolarHBondContact OD1-N 2.89Å; S389-H391 WeakPolarHBondContact CB-ND1 3.48Å; S389-H391 PolarHBondContact O-CE1 3.34Å; S389-H391 PolarHBondContact O-N 2.82Å; S389-H391 PolarHBondContact O-ND1 2.96Å; H391-H393 PolarHBondContact O-N 2.92Å
392	I	92	Very high	94.1	Very high	44 Å²	44	28 Å²	28	23%	0.226	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.9	173.9	-62	176.1	0	0	0	108.9	L242 W245 L325 V336 V384 F394	L242-I392 HydrophobicContact CD1-CD1 4.22Å; L242-I392 HydrophobicContact CD1-CG2 4.01Å; W245-I392 HydrophobicContact CZ3-CD1 4.4Å; L325-I392 HydrophobicContact CD1-CD1 4.36Å; L325-I392 HydrophobicContact CD2-CG1 4.24Å; L325-I392 HydrophobicContact CD2-CG2 4.46Å; V336-I392 HydrophobicContact CG1-CG1 4.06Å; V336-I392 HydrophobicContact CG2-CG1 3.97Å; V384-I392 HydrophobicContact CG1-CG2 3.54Å; I392-F394 HydrophobicContact CG2-CE1 4.46Å; I392-F394 HydrophobicContact CG2-CZ 4.27Å
393	H	91.7	Very high	94	Very high	72 Å²	72	28 Å²	28	33%	0.333	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.8	-178	-178.8	-98.6	0	0	0	110.8	V384 T385 D387 H391 E395	V384-H393 WeakPolarHBondContact CA-O 3.47Å; T385-H393 PolarHBondContact N-O 3.34Å; T385-H393 PolarHBondContact O-N 2.84Å; T385-H393 VanDerWaalsContact O-O 3.05Å; D387-H393 HydrophobicContact CB-CB 3.7Å; H391-H393 PolarHBondContact O-N 2.92Å; H393-E395 WeakPolarHBondContact ND1-CG 3.44Å; H393-E395 IonicContact ND1-OE1 3.25Å
394	F	92.7	Very high	94	Very high	29 Å²	29	28.6 Å²	28.6	13%	0.127	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	-175.7	-51.1	-77.2	0	0	0	109.2	M238 L242 V382 V383 V384 I392 T466 F468	M238-F394 HydrophobicContact CB-CZ 4.32Å; M238-F394 HydrophobicContact CG-CD1 4.32Å; M238-F394 HydrophobicContact CG-CE1 3.32Å; M238-F394 HydrophobicContact CG-CE2 4.21Å; M238-F394 HydrophobicContact CG-CZ 3.27Å; M238-F394 HydrophobicContact SD-CD1 4.5Å; M238-F394 HydrophobicContact SD-CE1 3.89Å; M238-F394 HydrophobicContact SD-CZ 4.41Å; L242-F394 HydrophobicContact CD1-CZ 4.38Å; V382-F394 HydrophobicContact CG1-CB 4.35Å; V383-F394 WeakPolarHBondContact O-CA 3.45Å; V384-F394 HydrophobicContact CB-CD1 4.23Å; V384-F394 HydrophobicContact CB-CE1 4.29Å; V384-F394 HydrophobicContact CG1-CD1 3.78Å; V384-F394 HydrophobicContact CG1-CE1 3.49Å; V384-F394 VanDerWaalsContact CG1-CE1 3.49Å; V384-F394 HydrophobicContact CG1-CZ 4.43Å; V384-F394 HydrophobicContact CG2-CD1 3.83Å; V384-F394 HydrophobicContact CG2-CE1 3.96Å; I392-F394 HydrophobicContact CG2-CE1 4.46Å; I392-F394 HydrophobicContact CG2-CZ 4.27Å; F394-T466 VanDerWaalsContact CB-OG1 3.27Å; F394-T466 WeakPolarHBondContact CB-OG1 3.44Å; F394-T466 PolarHBondContact O-OG1 3.28Å; F394-F468 HydrophobicContact CE2-CE2 4.16Å; F394-F468 HydrophobicContact CE2-CZ 4.35Å
395	E	93.4	Very high	94	Very high	33 Å²	33	29 Å²	29	15%	0.154	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.8	177.6	-63.3	-170.2	162.6	0	0	110	V382 V383 T385 H393 Y397	V382-E395 CarbonylContact C-O 3.08Å; V382-E395 WeakPolarHBondContact CA-O 3.35Å; V383-E395 PolarHBondContact N-O 3.19Å; V383-E395 PolarHBondContact O-N 2.78Å; T385-E395 HydrophobicContact CG2-CG 4.38Å; H393-E395 WeakPolarHBondContact ND1-CG 3.44Å; H393-E395 IonicContact ND1-OE1 3.25Å; E395-Y397 HydrophobicContact CB-CD2 4.5Å; E395-Y397 HydrophobicContact CB-CE2 3.57Å; E395-Y397 PolarHBondContact OE2-OH 3.08Å
396	A	97.3	Very high	94.1	Very high	2 Å²	2	29 Å²	29	2%	0.017	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.2	177.2	0	0	0	0	0	112.8	V230 T381 V382 N463 M464 T466	V230-A396 HydrophobicContact CB-CB 4.28Å; V230-A396 HydrophobicContact CG2-CB 3.64Å; T381-A396 CarbonylContact O-C 3.58Å; T381-A396 VanDerWaalsContact O-CA 3.28Å; T381-A396 WeakPolarHBondContact O-CA 3.48Å; V382-A396 HydrophobicContact CG2-CB 4.09Å; A396-N463 WeakPolarHBondContact O-CA 3.39Å; A396-M464 HydrophobicContact CB-CG 3.4Å; A396-M464 VanDerWaalsContact CB-CG 3.4Å; A396-M464 HydrophobicContact CB-SD 4.25Å; A396-M464 PolarHBondContact O-N 3.39Å; A396-T466 HydrophobicContact CB-CG2 3.16Å
397	Y	97.7	Very high	94.4	Very high	9 Å²	9	30 Å²	30	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.9	-179.9	-58.7	-83.6	0	0	0	110.1	F347 L348 T381 V383 E395 L461 T462 N463	F347-Y397 HydrophobicContact CB-CE1 3.88Å; F347-Y397 HydrophobicContact CD1-CE1 4.4Å; F347-Y397 WeakPolarHBondContact CD1-OH 3.32Å; F347-Y397 HydrophobicContact CG-CE1 4.38Å; L348-Y397 HydrophobicContact CD1-CD2 4.14Å; L348-Y397 HydrophobicContact CD1-CG 4.02Å; L348-Y397 HydrophobicContact CD2-CD2 3.91Å; L348-Y397 HydrophobicContact CD2-CE2 4.16Å; L348-Y397 HydrophobicContact CG-CD2 3.96Å; L348-Y397 HydrophobicContact CG-CE2 4.31Å; L348-Y397 HydrophobicContact CG-CG 4.16Å; T381-Y397 PolarHBondContact N-O 3.29Å; T381-Y397 PolarHBondContact O-N 3.49Å; V383-Y397 HydrophobicContact CG2-CD2 4.4Å; V383-Y397 HydrophobicContact CG2-CE2 4.37Å; E395-Y397 HydrophobicContact CB-CD2 4.5Å; E395-Y397 HydrophobicContact CB-CE2 3.57Å; E395-Y397 PolarHBondContact OE2-OH 3.08Å; Y397-L461 HydrophobicContact CD1-CD1 4.24Å; Y397-L461 HydrophobicContact CE1-CD1 4.47Å; Y397-T462 WeakPolarHBondContact CA-O 3.17Å; Y397-N463 HydrophobicContact CD1-CB 3.84Å; Y397-N463 HydrophobicContact CE1-CB 3.78Å
398	Q	98.3	Very high	94.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.6	152.1	-64.1	-169.3	-71.5	0	0	107.3	Q360 S377 K378 F379 T380 T462 M464	Q360-Q398 VanDerWaalsContact OE1-CA 3.31Å; S377-Q398 PolarHBondContact O-NE2 3.04Å; K378-Q398 VanDerWaalsContact C-NE2 3.34Å; F379-Q398 PolarHBondContact O-NE2 2.96Å; T380-Q398 HydrophobicContact CG2-CG 4.16Å; Q398-T462 WeakPolarHBondContact CB-OG1 3.35Å; Q398-T462 PolarHBondContact N-O 3.46Å; Q398-T462 PolarHBondContact O-N 3.08Å; Q398-T462 PolarHBondContact O-OG1 3.48Å; Q398-T462 VanDerWaalsContact O-OG1 3.08Å; Q398-M464 HydrophobicContact CB-CE 4.1Å; Q398-M464 HydrophobicContact CG-CE 3.79Å; Q398-M464 HydrophobicContact CG-SD 3.93Å
399	V	97.9	Very high	94.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	148.9	165.6	-53.2	0	0	0	0	109.9	A356 A357 Q360 A403 M404 L460 L461	A356-V399 HydrophobicContact CB-CG1 3.84Å; A357-V399 VanDerWaalsContact CA-CG2 3.49Å; A357-V399 HydrophobicContact CB-CG2 3.69Å; Q360-V399 VanDerWaalsContact CD-CG2 3.49Å; Q360-V399 HydrophobicContact CG-CG2 4.45Å; Q360-V399 PolarHBondContact NE2-O 3.13Å; V399-A403 HydrophobicContact CB-CB 3.9Å; V399-A403 HydrophobicContact CG2-CB 4.17Å; V399-M404 HydrophobicContact CG2-CG 3.85Å; V399-L460 CarbonylContact C-O 3.6Å; V399-L460 VanDerWaalsContact CA-O 3.27Å; V399-L460 WeakPolarHBondContact CA-O 3.16Å; V399-L461 HydrophobicContact CG1-CD2 4.05Å
400	S	96.9	Very high	95.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	16%	0.163	C	C	.	.			trans	-63.3	157.1	177	67.4	0	0	0	0	111.9	Q402 A403 M404 L460	S400-Q402 PolarHBondContact O-N 3.19Å; S400-A403 WeakPolarHBondContact O-CB 3.34Å; S400-A403 PolarHBondContact O-N 2.78Å; S400-A403 WeakPolarHBondContact OG-CB 3.44Å; S400-A403 PolarHBondContact OG-N 2.89Å; S400-A403 VanDerWaalsContact OG-N 3.12Å; S400-M404 PolarHBondContact O-N 2.76Å; S400-L460 PolarHBondContact N-O 3.2Å; S400-L460 PolarHBondContact OG-O 2.78Å
401	N	95.9	Very high	95.3	Very high	17 Å²	17	31.2 Å²	31.2	9%	0.091	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-29.6	174.8	-69.1	11	0	0	0	111.7	Y224 H226 F375 G376 M404 A405	Y224-N401 PolarHBondContact OH-ND2 3.48Å; H226-N401 PolarHBondContact CE1-OD1 3.29Å; F375-N401 WeakPolarHBondContact CE1-ND2 3.36Å; F375-N401 WeakPolarHBondContact CZ-ND2 3.28Å; G376-N401 WeakPolarHBondContact CA-OD1 3.38Å; N401-M404 WeakPolarHBondContact O-CB 3.4Å; N401-M404 PolarHBondContact O-N 2.83Å; N401-A405 PolarHBondContact O-N 2.92Å; N401-A405 VanDerWaalsContact O-N 3.09Å
402	Q	94.9	Very high	95.5	Very high	40 Å²	40	27 Å²	27	19%	0.187	13%	0.132	C	C	.	.	H	α-helix	trans	-68.2	-42.7	174.7	-63.5	168.6	88.4	0	0	111	L190 L219 E220 S400 M404 A405 L406	L190-Q402 HydrophobicContact CD2-CB 4.3Å; L190-Q402 HydrophobicContact CD2-CG 4.32Å; L219-Q402 VanDerWaalsContact CA-OE1 3.29Å; L219-Q402 HydrophobicContact CD2-CB 3.8Å; L219-Q402 HydrophobicContact CD2-CG 4.35Å; E220-Q402 PolarHBondContact O-NE2 2.88Å; S400-Q402 PolarHBondContact O-N 3.19Å; Q402-M404 VanDerWaalsContact C-N 3.35Å; Q402-M404 PolarHBondContact O-N 3.25Å; Q402-A405 PolarHBondContact O-N 3.23Å; Q402-L406 WeakPolarHBondContact O-CG 3.2Å; Q402-L406 PolarHBondContact O-N 3.48Å
403	A	96.4	Very high	95.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-43.3	174.1	0	0	0	0	0	111.9	V399 S400 A405 L406 V407 L460	V399-A403 HydrophobicContact CB-CB 3.9Å; V399-A403 HydrophobicContact CG2-CB 4.17Å; S400-A403 WeakPolarHBondContact O-CB 3.34Å; S400-A403 PolarHBondContact O-N 2.78Å; S400-A403 WeakPolarHBondContact OG-CB 3.44Å; S400-A403 PolarHBondContact OG-N 2.89Å; S400-A403 VanDerWaalsContact OG-N 3.12Å; A403-A405 VanDerWaalsContact C-N 3.29Å; A403-A405 PolarHBondContact O-N 3.15Å; A403-L406 PolarHBondContact O-N 3.24Å; A403-V407 WeakPolarHBondContact O-CG2 3.3Å; A403-V407 PolarHBondContact O-N 3Å; A403-L460 HydrophobicContact CB-CB 3.8Å; A403-L460 HydrophobicContact CB-CD1 4.36Å; A403-L460 HydrophobicContact CB-CD2 3.88Å; A403-L460 HydrophobicContact CB-CG 4.22Å
404	M	97.4	Very high	96	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-54.8	-46.2	174.1	-67.7	177.1	62.5	0	0	111.3	Q360 N361 V399 S400 N401 Q402 V407 K408	Q360-M404 HydrophobicContact CB-CE 4.02Å; Q360-M404 HydrophobicContact CB-CG 4.11Å; Q360-M404 HydrophobicContact CB-SD 4.01Å; Q360-M404 PolarHBondContact NE2-SD 3.05Å; N361-M404 PolarHBondContact ND2-O 2.95Å; V399-M404 HydrophobicContact CG2-CG 3.85Å; S400-M404 PolarHBondContact O-N 2.76Å; N401-M404 WeakPolarHBondContact O-CB 3.4Å; N401-M404 PolarHBondContact O-N 2.83Å; Q402-M404 VanDerWaalsContact C-N 3.35Å; Q402-M404 PolarHBondContact O-N 3.25Å; M404-V407 PolarHBondContact O-N 3.34Å; M404-K408 VanDerWaalsContact O-CB 3.23Å; M404-K408 WeakPolarHBondContact O-CB 3.27Å; M404-K408 PolarHBondContact O-N 3.37Å
405	A	95.7	Very high	96	Very high	7 Å²	7	27 Å²	27	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-64.6	-45	178.1	0	0	0	0	0	113	L190 N401 Q402 A403 V407 K408 D409	L190-A405 HydrophobicContact CB-CB 3.77Å; L190-A405 HydrophobicContact CD2-CB 4.01Å; L190-A405 HydrophobicContact CG-CB 3.95Å; L190-A405 WeakPolarHBondContact O-CB 3.31Å; N401-A405 PolarHBondContact O-N 2.92Å; N401-A405 VanDerWaalsContact O-N 3.09Å; Q402-A405 PolarHBondContact O-N 3.23Å; A403-A405 VanDerWaalsContact C-N 3.29Å; A403-A405 PolarHBondContact O-N 3.15Å; A405-V407 VanDerWaalsContact C-N 3.28Å; A405-V407 PolarHBondContact O-N 2.87Å; A405-K408 PolarHBondContact O-N 3.44Å; A405-D409 WeakPolarHBondContact O-CB 3.47Å; A405-D409 PolarHBondContact O-N 3.4Å
406	L	96.3	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.4	-38.4	177.9	-66.6	175	0	0	0	112.3	L219 Q402 A403 N410 I411 I412 V436 L455 L460	L219-L406 HydrophobicContact CD1-CD1 3.94Å; L219-L406 HydrophobicContact CD2-CD1 4.14Å; Q402-L406 WeakPolarHBondContact O-CG 3.2Å; Q402-L406 PolarHBondContact O-N 3.48Å; A403-L406 PolarHBondContact O-N 3.24Å; L406-N410 PolarHBondContact O-N 3.33Å; L406-I411 HydrophobicContact CD2-CB 4.25Å; L406-I411 HydrophobicContact CD2-CG2 3.8Å; L406-I411 PolarHBondContact O-N 3.44Å; L406-I412 HydrophobicContact CB-CB 4.33Å; L406-I412 HydrophobicContact CB-CG2 3.98Å; L406-V436 HydrophobicContact CD2-CG2 4.24Å; L406-L455 HydrophobicContact CD1-CD2 4.24Å; L406-L460 HydrophobicContact CD1-CD2 4.31Å
407	V	96.7	Very high	95.4	Very high	22 Å²	22	42.5 Å²	42.5	13%	0.133	21%	0.211	C	C	.	.	H	α-helix	trans	-76.3	-43	178.2	171.7	0	0	0	0	111.5	I354 A357 H358 A403 M404 A405 D409 N410 I412	I354-V407 HydrophobicContact CB-CG2 4.29Å; I354-V407 HydrophobicContact CG1-CG2 4.05Å; I354-V407 HydrophobicContact CG2-CG1 4.17Å; I354-V407 HydrophobicContact CG2-CG2 4.09Å; A357-V407 HydrophobicContact CB-CB 3.78Å; A357-V407 HydrophobicContact CB-CG1 4.08Å; A357-V407 HydrophobicContact CB-CG2 3.59Å; H358-V407 HydrophobicContact CB-CG1 4.26Å; A403-V407 WeakPolarHBondContact O-CG2 3.3Å; A403-V407 PolarHBondContact O-N 3Å; M404-V407 PolarHBondContact O-N 3.34Å; A405-V407 VanDerWaalsContact C-N 3.28Å; A405-V407 PolarHBondContact O-N 2.87Å; V407-D409 VanDerWaalsContact C-N 3.26Å; V407-D409 PolarHBondContact O-N 3.26Å; V407-N410 PolarHBondContact O-N 3.12Å; V407-I412 HydrophobicContact CG2-CG2 3.47Å; V407-I412 VanDerWaalsContact CG2-CG2 3.47Å
408	K	95.2	Very high	95.1	Very high	147 Å²	147	43 Å²	43	64%	0.639	22%	0.218	S	C	*	.	H	α-helix	trans	-55.7	-43.4	176.1	-179.9	-177.9	173.8	-176.3	0	111.6	M404 A405 N410	M404-K408 VanDerWaalsContact O-CB 3.23Å; M404-K408 WeakPolarHBondContact O-CB 3.27Å; M404-K408 PolarHBondContact O-N 3.37Å; A405-K408 PolarHBondContact O-N 3.44Å; K408-N410 VanDerWaalsContact C-N 3.28Å; K408-N410 PolarHBondContact O-N 2.81Å
409	D	94.5	Very high	94.8	Very high	25 Å²	25	45 Å²	45	13%	0.134	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	10	180	-67.5	-10.1	0	0	0	112.5	C192 H193 A405 V407 I411 Q431	C192-D409 WeakPolarHBondContact CA-OD2 3.33Å; C192-D409 HydrophobicContact CB-CB 4.23Å; C192-D409 PolarHBondContact N-OD2 2.97Å; H193-D409 PolarHBondContact N-OD2 2.94Å; H193-D409 IonicContact ND1-OD1 2.99Å; H193-D409 IonicContact ND1-OD2 3.6Å; H193-D409 PolarHBondContact ND1-OD2 2.98Å; A405-D409 WeakPolarHBondContact O-CB 3.47Å; A405-D409 PolarHBondContact O-N 3.4Å; V407-D409 VanDerWaalsContact C-N 3.26Å; V407-D409 PolarHBondContact O-N 3.26Å; D409-I411 HydrophobicContact CB-CD1 3.94Å; D409-I411 HydrophobicContact CB-CG1 4.29Å; D409-I411 PolarHBondContact O-N 2.86Å; D409-Q431 PolarHBondContact O-NE2 2.78Å
410	N	94.9	Very high	94.5	Very high	91 Å²	91	49 Å²	49	49%	0.487	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.2	174.5	-168.3	25.2	0	0	0	114.2	L406 V407 K408 K425 Q431	L406-N410 PolarHBondContact O-N 3.33Å; V407-N410 PolarHBondContact O-N 3.12Å; K408-N410 VanDerWaalsContact C-N 3.28Å; K408-N410 PolarHBondContact O-N 2.81Å; N410-K425 PolarHBondContact ND2-NZ 2.74Å; N410-K425 VanDerWaalsContact ND2-NZ 3.18Å; N410-K425 WeakPolarHBondContact O-CD 3.31Å; N410-K425 VanDerWaalsContact O-CE 3.3Å; N410-K425 WeakPolarHBondContact O-CE 3.48Å; N410-K425 PolarHBondContact O-NZ 3.39Å; N410-K425 PolarHBondContact OD1-NZ 3.06Å; N410-Q431 PolarHBondContact O-NE2 2.8Å; N410-Q431 PolarHBondContact O-OE1 2.99Å
411	I	94.3	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.			trans	-99.8	-27.9	-173.9	-73.2	172	0	0	0	113	C192 L406 D409 V424 K425 V433 V436	C192-I411 HydrophobicContact CB-CD1 3.05Å; L406-I411 HydrophobicContact CD2-CB 4.25Å; L406-I411 HydrophobicContact CD2-CG2 3.8Å; L406-I411 PolarHBondContact O-N 3.44Å; D409-I411 HydrophobicContact CB-CD1 3.94Å; D409-I411 HydrophobicContact CB-CG1 4.29Å; D409-I411 PolarHBondContact O-N 2.86Å; I411-V424 HydrophobicContact CG2-CG1 3.71Å; I411-V424 WeakPolarHBondContact O-CA 3.41Å; I411-K425 WeakPolarHBondContact O-CG 3.35Å; I411-K425 PolarHBondContact O-N 2.93Å; I411-V433 HydrophobicContact CB-CG1 4.42Å; I411-V433 HydrophobicContact CD1-CG1 4.45Å; I411-V433 HydrophobicContact CG1-CG1 4.11Å; I411-V433 HydrophobicContact CG1-CG2 4.47Å; I411-V433 HydrophobicContact CG2-CG1 3.66Å; I411-V436 HydrophobicContact CG2-CG2 4.39Å
412	I	96.3	Very high	94.3	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.8	-178.2	-170.3	175.5	0	0	0	110.8	I354 L406 V407 Y423 L455 L460	I354-I412 HydrophobicContact CD1-CG1 4.37Å; I354-I412 HydrophobicContact CD1-CG2 4.27Å; I354-I412 HydrophobicContact CG1-CG2 4.06Å; L406-I412 HydrophobicContact CB-CB 4.33Å; L406-I412 HydrophobicContact CB-CG2 3.98Å; V407-I412 HydrophobicContact CG2-CG2 3.47Å; V407-I412 VanDerWaalsContact CG2-CG2 3.47Å; I412-Y423 WeakPolarHBondContact CA-O 3.33Å; I412-L455 HydrophobicContact CD1-CD2 3.84Å; I412-L460 HydrophobicContact CD1-CD1 3.58Å
413	V	96.5	Very high	94.4	Very high	48 Å²	48	52.1 Å²	52.1	29%	0.291	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.9	171.8	-63.2	0	0	0	0	110.3	G422 Y423 K425	V413-G422 CarbonylContact O-C 3.44Å; V413-G422 WeakPolarHBondContact O-CA 3.23Å; V413-Y423 WeakPolarHBondContact CG2-O 3.22Å; V413-Y423 PolarHBondContact N-O 3.1Å; V413-Y423 PolarHBondContact O-N 3.4Å; V413-K425 HydrophobicContact CG1-CD 4.23Å; V413-K425 HydrophobicContact CG1-CG 4.04Å
414	P	96.2	Very high	94.4	Very high	58 Å²	58	52.3 Å²	52.3	38%	0.377	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	155.1	171.6	31.7	-33.7	0	0	0	110.3	A350 E351 I354	A350-P414 HydrophobicContact CB-CB 3.91Å; E351-P414 HydrophobicContact CB-CB 4.11Å; E351-P414 HydrophobicContact CB-CG 4.43Å; I354-P414 HydrophobicContact CD1-CB 4.32Å; I354-P414 HydrophobicContact CD1-CG 4.4Å
415	T	94.1	Very high	94.3	Very high	39 Å²	39	54.2 Å²	54.2	24%	0.239	27%	0.27	C	S	.	.			trans	-94.3	155.1	168.5	69.9	0	0	0	0	110.5	A418 L421	T415-A418 PolarHBondContact OG1-O 3.21Å; T415-L421 HydrophobicContact CG2-CB 4.27Å; T415-L421 VanDerWaalsContact CG2-O 3.28Å; T415-L421 WeakPolarHBondContact CG2-O 3.45Å; T415-L421 PolarHBondContact N-O 3.06Å; T415-L421 PolarHBondContact OG1-O 3.42Å
416	Y	89	Confident	94.2	Very high	216 Å²	216	59 Å²	59	85%	0.847	29%	0.292	S	S	*	.	S	Bend	trans	-80.2	-44.8	-174.9	-175.2	-99.7	0	0	0	112.8
417	D	88.6	Confident	94.1	Very high	145 Å²	145	62.1 Å²	62.1	78%	0.775	31%	0.311	S	S	*	.	S	Bend	trans	-101.2	-4.8	-172.7	-62.3	-57	0	0	0	114.4
418	A	91.4	Very high	93.9	Very high	20 Å²	20	64.1 Å²	64.1	17%	0.165	32%	0.323	C	S	.	.			trans	-136.4	77.7	-174.6	0	0	0	0	0	111.1	T415 E420 L421	T415-A418 PolarHBondContact OG1-O 3.21Å; A418-E420 VanDerWaalsContact C-OE2 3.28Å; A418-E420 PolarHBondContact O-N 2.95Å; A418-L421 HydrophobicContact CB-CB 4.13Å; A418-L421 HydrophobicContact CB-CD1 3.85Å; A418-L421 HydrophobicContact CB-CG 4.03Å; A418-L421 PolarHBondContact O-N 3.43Å
419	P	91.1	Very high	93.7	Very high	45 Å²	45	64.7 Å²	64.7	29%	0.292	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.9	-173.8	22.9	-34.5	0	0	0	113.9	F346 S349 A350 L421	F346-P419 HydrophobicContact CD1-CB 3.85Å; F346-P419 HydrophobicContact CD1-CG 3.52Å; F346-P419 HydrophobicContact CE1-CB 3.63Å; F346-P419 HydrophobicContact CE1-CG 3.37Å; F346-P419 HydrophobicContact CG-CB 4.45Å; F346-P419 HydrophobicContact CZ-CB 4.04Å; F346-P419 HydrophobicContact CZ-CG 4.24Å; S349-P419 CarbonylContact C-O 3.32Å; S349-P419 VanDerWaalsContact CA-O 3.24Å; S349-P419 WeakPolarHBondContact CA-O 3.44Å; A350-P419 PolarHBondContact N-O 2.94Å; P419-L421 PolarHBondContact O-N 3.47Å
420	E	91.9	Very high	93.4	Very high	86 Å²	86	70.8 Å²	70.8	40%	0.402	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.6	174.9	72.2	-74.8	-178.9	0	0	114.6	F346 A418 V457	F346-E420 HydrophobicContact CB-CB 3.78Å; A418-E420 VanDerWaalsContact C-OE2 3.28Å; A418-E420 PolarHBondContact O-N 2.95Å; E420-V457 WeakPolarHBondContact O-CB 3.41Å; E420-V457 VanDerWaalsContact O-CG2 3.29Å; E420-V457 WeakPolarHBondContact O-CG2 3.32Å; E420-V457 PolarHBondContact O-N 3.1Å
421	L	94.1	Very high	93.2	Very high	40 Å²	40	68.8 Å²	68.8	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.3	-175.8	-56.4	-177.7	0	0	0	111.6	A350 T415 A418 P419 P454 P456	A350-L421 WeakPolarHBondContact CB-O 3.06Å; T415-L421 HydrophobicContact CG2-CB 4.27Å; T415-L421 VanDerWaalsContact CG2-O 3.28Å; T415-L421 WeakPolarHBondContact CG2-O 3.45Å; T415-L421 PolarHBondContact N-O 3.06Å; T415-L421 PolarHBondContact OG1-O 3.42Å; A418-L421 HydrophobicContact CB-CB 4.13Å; A418-L421 HydrophobicContact CB-CD1 3.85Å; A418-L421 HydrophobicContact CB-CG 4.03Å; A418-L421 PolarHBondContact O-N 3.43Å; P419-L421 PolarHBondContact O-N 3.47Å; L421-P454 HydrophobicContact CB-CB 4.13Å; L421-P454 HydrophobicContact CD1-CB 3.92Å; L421-P454 HydrophobicContact CD1-CG 3.87Å; L421-P454 HydrophobicContact CG-CB 4.43Å; L421-P456 HydrophobicContact CD2-CB 4.17Å; L421-P456 HydrophobicContact CD2-CG 4.19Å
422	G	95.1	Very high	93.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	170.5	159.3	0	0	0	0	0	111.4	V413 L455	V413-G422 CarbonylContact O-C 3.44Å; V413-G422 WeakPolarHBondContact O-CA 3.23Å; G422-L455 PolarHBondContact N-O 3.31Å; G422-L455 PolarHBondContact O-N 3.5Å
423	Y	96.6	Very high	93	Very high	83 Å²	83	70 Å²	70	33%	0.325	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.1	175.3	-169	-85.5	0	0	0	109.8	I412 V413 K425 R453	I412-Y423 WeakPolarHBondContact CA-O 3.33Å; V413-Y423 WeakPolarHBondContact CG2-O 3.22Å; V413-Y423 PolarHBondContact N-O 3.1Å; V413-Y423 PolarHBondContact O-N 3.4Å; Y423-K425 PolarHBondContact O-N 3.31Å; Y423-R453 HydrophobicContact CD2-CB 4.4Å; Y423-R453 HydrophobicContact CD2-CG 4.49Å; Y423-R453 HydrophobicContact CE1-CG 4.05Å; Y423-R453 HydrophobicContact CE2-CB 3.86Å; Y423-R453 HydrophobicContact CE2-CG 4.05Å
424	V	96.3	Very high	92.8	Very high	4 Å²	4	68 Å²	68	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.5	171.6	170.4	0	0	0	0	109	I411 V433 V436 A452 R453 L455	I411-V424 HydrophobicContact CG2-CG1 3.71Å; I411-V424 WeakPolarHBondContact O-CA 3.41Å; V424-V433 HydrophobicContact CG1-CG1 4.02Å; V424-V436 HydrophobicContact CB-CB 4.48Å; V424-V436 HydrophobicContact CG1-CB 3.99Å; V424-V436 HydrophobicContact CG1-CG2 3.81Å; V424-V436 HydrophobicContact CG2-CB 4.02Å; V424-V436 HydrophobicContact CG2-CG1 4.15Å; V424-V436 HydrophobicContact CG2-CG2 4.34Å; V424-A452 HydrophobicContact CB-CB 4.27Å; V424-A452 VanDerWaalsContact CB-O 3.29Å; V424-A452 WeakPolarHBondContact CB-O 3.42Å; V424-A452 HydrophobicContact CG2-CB 3.61Å; V424-A452 WeakPolarHBondContact CG2-O 3.5Å; V424-A452 PolarHBondContact N-O 3.44Å; V424-R453 HydrophobicContact CB-CG 4.27Å; V424-R453 WeakPolarHBondContact O-CD 3.38Å; V424-R453 VanDerWaalsContact O-CG 3.23Å; V424-R453 WeakPolarHBondContact O-CG 3.43Å; V424-L455 HydrophobicContact CG2-CD2 4.15Å
425	K	95.4	Very high	92.7	Very high	52 Å²	52	70.8 Å²	70.8	23%	0.226	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-56.3	148.9	179.2	-67.2	-179.8	-169.3	172.7	0	111.4	N410 I411 V413 Y423 V433	N410-K425 PolarHBondContact ND2-NZ 2.74Å; N410-K425 VanDerWaalsContact ND2-NZ 3.18Å; N410-K425 WeakPolarHBondContact O-CD 3.31Å; N410-K425 VanDerWaalsContact O-CE 3.3Å; N410-K425 WeakPolarHBondContact O-CE 3.48Å; N410-K425 PolarHBondContact O-NZ 3.39Å; N410-K425 PolarHBondContact OD1-NZ 3.06Å; I411-K425 WeakPolarHBondContact O-CG 3.35Å; I411-K425 PolarHBondContact O-N 2.93Å; V413-K425 HydrophobicContact CG1-CD 4.23Å; V413-K425 HydrophobicContact CG1-CG 4.04Å; Y423-K425 PolarHBondContact O-N 3.31Å; K425-V433 HydrophobicContact CB-CG2 4.22Å; K425-V433 VanDerWaalsContact O-CG1 3.25Å; K425-V433 WeakPolarHBondContact O-CG1 3.43Å
426	E	94	Very high	92.8	Very high	109 Å²	109	69.2 Å²	69.2	51%	0.509	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-80.4	155.3	169.2	-54.4	-162.8	145.6	0	0	110.2	T428 R453	E426-T428 PolarHBondContact O-N 3.34Å; E426-R453 IonicContact OE1-CZ 3.12Å; E426-R453 IonicContact OE1-NH1 2.77Å; E426-R453 PolarHBondContact OE1-NH1 2.89Å
427	T	93.1	Very high	93.1	Very high	65 Å²	65	61.1 Å²	61.1	40%	0.399	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-63.5	129.1	172.6	-75.6	0	0	0	0	109.8	W204 F432 V433	W204-T427 HydrophobicContact CH2-CG2 3.86Å; W204-T427 HydrophobicContact CZ2-CG2 3.53Å; T427-F432 HydrophobicContact CG2-CD2 4.14Å; T427-V433 PolarHBondContact OG1-N 3.42Å; T427-V433 PolarHBondContact OG1-O 3.32Å
428	T	93	Very high	93.4	Very high	63 Å²	63	55.2 Å²	55.2	39%	0.387	27%	0.269	S	S	.	.			trans	-119.8	176	174.5	76.9	0	0	0	0	110.9	W204 E426 E430 Q431	W204-T428 WeakPolarHBondContact CZ2-O 3.43Å; W204-T428 PolarHBondContact NE1-O 3.26Å; W204-T428 VanDerWaalsContact NE1-O 3.16Å; E426-T428 PolarHBondContact O-N 3.34Å; T428-E430 WeakPolarHBondContact CB-OE2 3.4Å; T428-E430 PolarHBondContact O-N 3.14Å; T428-E430 PolarHBondContact OG1-N 2.95Å; T428-E430 PolarHBondContact OG1-OE2 2.83Å; T428-Q431 PolarHBondContact N-O 2.95Å; T428-Q431 CarbonylContact O-C 3.49Å; T428-Q431 PolarHBondContact O-N 3.48Å; T428-Q431 VanDerWaalsContact O-O 3.13Å; T428-Q431 PolarHBondContact OG1-N 2.71Å
429	K	90.6	Very high	93.5	Very high	159 Å²	159	54.9 Å²	54.9	69%	0.691	27%	0.266	S	S	*	.	S	Bend	trans	-65.2	-25.1	175	-68.4	-179.1	-178.7	177.3	0	112	W204 P205	W204-K429 PolarHBondContact NE1-O 3.21Å; P205-K429 HydrophobicContact CB-CB 4.27Å; P205-K429 WeakPolarHBondContact CB-O 3.4Å; P205-K429 HydrophobicContact CG-CB 4.21Å; P205-K429 WeakPolarHBondContact CG-O 3.2Å
430	E	89.7	Confident	93.4	Very high	154 Å²	154	54.9 Å²	54.9	72%	0.72	27%	0.266	S	S	*	.	S	Bend	trans	-83.2	-35.9	-179.6	-56.5	70.2	-147.1	0	0	111.6	T428	T428-E430 WeakPolarHBondContact CB-OE2 3.4Å; T428-E430 PolarHBondContact O-N 3.14Å; T428-E430 PolarHBondContact OG1-N 2.95Å; T428-E430 PolarHBondContact OG1-OE2 2.83Å
431	Q	90.8	Very high	93.2	Very high	49 Å²	49	58.9 Å²	58.9	23%	0.229	28%	0.281	C	S	.	.			trans	-143.2	124.1	-174.6	-175.3	179.2	2.3	0	0	111.9	D409 N410 T428 V433	D409-Q431 PolarHBondContact O-NE2 2.78Å; N410-Q431 PolarHBondContact O-NE2 2.8Å; N410-Q431 PolarHBondContact O-OE1 2.99Å; T428-Q431 PolarHBondContact N-O 2.95Å; T428-Q431 CarbonylContact O-C 3.49Å; T428-Q431 PolarHBondContact O-N 3.48Å; T428-Q431 VanDerWaalsContact O-O 3.13Å; T428-Q431 PolarHBondContact OG1-N 2.71Å; Q431-V433 HydrophobicContact CG-CG2 4.11Å
432	F	91.2	Very high	93	Very high	27 Å²	27	59.3 Å²	59.3	12%	0.118	28%	0.284	C	S	.	.			trans	-75.6	130.8	165.3	-177.7	-88.6	0	0	0	110.2	I194 W204 Q213 P214 T427 P434	I194-F432 HydrophobicContact CD1-CB 3.53Å; I194-F432 HydrophobicContact CD1-CG 4.09Å; I194-F432 HydrophobicContact CG1-CB 3.85Å; I194-F432 HydrophobicContact CG1-CD1 4.12Å; I194-F432 HydrophobicContact CG1-CG 4.13Å; W204-F432 HydrophobicContact CD2-CB 4.04Å; W204-F432 HydrophobicContact CE3-CB 4.32Å; W204-F432 HydrophobicContact CE3-CD2 4.27Å; W204-F432 HydrophobicContact CH2-CB 4.41Å; W204-F432 AromaticContact CH2-CD2 3.65Å; W204-F432 HydrophobicContact CH2-CD2 3.65Å; W204-F432 HydrophobicContact CH2-CE2 4.49Å; W204-F432 HydrophobicContact CZ2-CB 4.11Å; W204-F432 HydrophobicContact CZ2-CD2 4.12Å; W204-F432 HydrophobicContact CZ3-CB 4.5Å; W204-F432 AromaticContact CZ3-CD2 3.72Å; W204-F432 HydrophobicContact CZ3-CD2 3.72Å; Q213-F432 HydrophobicContact CG-CE1 4.23Å; Q213-F432 HydrophobicContact CG-CZ 3.81Å; P214-F432 HydrophobicContact CG-CD1 4.37Å; P214-F432 HydrophobicContact CG-CE1 4.28Å; T427-F432 HydrophobicContact CG2-CD2 4.14Å; F432-P434 HydrophobicContact CE1-CB 4.33Å
433	V	93.4	Very high	92.7	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.048	32%	0.315	C	S	.	.			trans	-124.9	118.1	177.1	-178.4	0	0	0	0	108.5	I411 V424 K425 T427 Q431	I411-V433 HydrophobicContact CB-CG1 4.42Å; I411-V433 HydrophobicContact CD1-CG1 4.45Å; I411-V433 HydrophobicContact CG1-CG1 4.11Å; I411-V433 HydrophobicContact CG1-CG2 4.47Å; I411-V433 HydrophobicContact CG2-CG1 3.66Å; V424-V433 HydrophobicContact CG1-CG1 4.02Å; K425-V433 HydrophobicContact CB-CG2 4.22Å; K425-V433 VanDerWaalsContact O-CG1 3.25Å; K425-V433 WeakPolarHBondContact O-CG1 3.43Å; T427-V433 PolarHBondContact OG1-N 3.42Å; T427-V433 PolarHBondContact OG1-O 3.32Å; Q431-V433 HydrophobicContact CG-CG2 4.11Å
434	P	93.2	Very high	92.4	Very high	6 Å²	6	70.5 Å²	70.5	4%	0.039	33%	0.331	C	S	.	.			trans	-63.1	157.9	176.9	27.2	-34.2	0	0	0	111	C192 P214 F432 V436	C192-P434 HydrophobicContact CB-CG 3.97Å; C192-P434 WeakPolarHBondContact O-CD 3.2Å; P214-P434 HydrophobicContact CB-CB 4.22Å; P214-P434 HydrophobicContact CB-CG 4.26Å; F432-P434 HydrophobicContact CE1-CB 4.33Å; P434-V436 PolarHBondContact O-N 2.87Å
435	E	94.1	Very high	92	Very high	117 Å²	117	72.7 Å²	72.7	55%	0.547	35%	0.354	S	S	.	.			trans	-64.1	124.3	171.5	-65.4	-169.6	150.6	0	0	109.9	P216 V217 F437	P216-E435 CarbonylContact C-O 3.47Å; P216-E435 VanDerWaalsContact CA-O 3.3Å; P216-E435 WeakPolarHBondContact CA-O 3.38Å; P216-E435 HydrophobicContact CB-CB 4.34Å; V217-E435 PolarHBondContact N-O 3.01Å; E435-F437 HydrophobicContact CB-CD2 4.48Å; E435-F437 HydrophobicContact CB-CE2 3.61Å; E435-F437 HydrophobicContact CB-CZ 3.95Å; E435-F437 WeakPolarHBondContact OE2-CZ 3.26Å
436	V	95.8	Very high	91.9	Very high	5 Å²	5	74.7 Å²	74.7	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.7	176.9	-173.7	0	0	0	0	109	V217 L219 L406 I411 V424 P434 A452	V217-V436 HydrophobicContact CB-CG1 4.47Å; V217-V436 HydrophobicContact CB-CG2 4.4Å; V217-V436 CarbonylContact O-C 3.58Å; V217-V436 WeakPolarHBondContact O-CA 3.35Å; L219-V436 HydrophobicContact CD1-CG1 3.64Å; L219-V436 HydrophobicContact CD2-CG1 4.35Å; L219-V436 HydrophobicContact CG-CG1 3.78Å; L406-V436 HydrophobicContact CD2-CG2 4.24Å; I411-V436 HydrophobicContact CG2-CG2 4.39Å; V424-V436 HydrophobicContact CB-CB 4.48Å; V424-V436 HydrophobicContact CG1-CB 3.99Å; V424-V436 HydrophobicContact CG1-CG2 3.81Å; V424-V436 HydrophobicContact CG2-CB 4.02Å; V424-V436 HydrophobicContact CG2-CG1 4.15Å; V424-V436 HydrophobicContact CG2-CG2 4.34Å; P434-V436 PolarHBondContact O-N 2.87Å; V436-A452 HydrophobicContact CB-CB 3.96Å; V436-A452 HydrophobicContact CG1-CB 3.74Å; V436-A452 VanDerWaalsContact O-CB 3.23Å; V436-A452 WeakPolarHBondContact O-CB 3.49Å; V436-A452 PolarHBondContact O-N 2.87Å
437	F	96.3	Very high	91.8	Very high	46 Å²	46	76.9 Å²	76.9	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	164	175.5	-56.4	-87	0	0	0	109.5	P216 V217 T218 L219 E435 R450 V451	P216-F437 HydrophobicContact CB-CE2 4.23Å; V217-F437 PolarHBondContact O-N 2.93Å; T218-F437 CarbonylContact C-O 3.24Å; T218-F437 HydrophobicContact CG2-CB 4.42Å; L219-F437 WeakPolarHBondContact CB-O 3.42Å; L219-F437 WeakPolarHBondContact CG-O 3.3Å; L219-F437 PolarHBondContact N-O 3.15Å; E435-F437 HydrophobicContact CB-CD2 4.48Å; E435-F437 HydrophobicContact CB-CE2 3.61Å; E435-F437 HydrophobicContact CB-CZ 3.95Å; E435-F437 WeakPolarHBondContact OE2-CZ 3.26Å; F437-R450 CarbonylContact C-O 3.52Å; F437-R450 WeakPolarHBondContact CA-O 3.4Å; F437-R450 WeakPolarHBondContact CB-O 3.17Å; F437-V451 HydrophobicContact CD1-CG2 4.06Å; F437-V451 HydrophobicContact CE1-CG2 3.83Å
438	Y	95.2	Very high	91.7	Very high	21 Å²	21	76 Å²	76	8%	0.082	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.6	165.4	65.6	-84.3	0	0	0	109.7	L219 T449 R450 V451 A452 L455 P456 F459	L219-Y438 CarbonylContact O-C 3.55Å; L219-Y438 WeakPolarHBondContact O-CA 3.34Å; Y438-T449 WeakPolarHBondContact O-CA 3.39Å; Y438-R450 HydrophobicContact CD1-CB 4.14Å; Y438-R450 HydrophobicContact CE1-CB 3.56Å; Y438-R450 HydrophobicContact CE2-CB 4.01Å; Y438-R450 HydrophobicContact CE2-CG 4.49Å; Y438-R450 VanDerWaalsContact CZ-CB 3.5Å; Y438-R450 PolarHBondContact N-O 3.26Å; Y438-R450 PolarHBondContact O-N 2.95Å; Y438-R450 VanDerWaalsContact OH-CD 3.29Å; Y438-R450 WeakPolarHBondContact OH-CD 3.21Å; Y438-V451 WeakPolarHBondContact CE1-O 3.25Å; Y438-A452 HydrophobicContact CD1-CB 4.35Å; Y438-L455 HydrophobicContact CD1-CD1 4.08Å; Y438-L455 HydrophobicContact CG-CD1 4.27Å; Y438-P456 HydrophobicContact CE2-CG 4.24Å; Y438-F459 HydrophobicContact CD2-CD1 4.49Å; Y438-F459 HydrophobicContact CD2-CD2 4.09Å; Y438-F459 HydrophobicContact CD2-CE1 4.13Å; Y438-F459 AromaticContact CD2-CE2 3.7Å; Y438-F459 HydrophobicContact CD2-CE2 3.7Å; Y438-F459 HydrophobicContact CD2-CG 4.49Å; Y438-F459 AromaticContact CD2-CZ 3.73Å; Y438-F459 HydrophobicContact CD2-CZ 3.73Å; Y438-F459 AromaticContact CE2-CE2 3.95Å; Y438-F459 HydrophobicContact CE2-CE2 3.95Å; Y438-F459 HydrophobicContact CE2-CZ 4.15Å
439	A	93.4	Very high	91.8	Very high	13 Å²	13	76.9 Å²	76.9	11%	0.107	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	-178.4	0	0	0	0	0	111.3	T218 L219 E220 R447 V448 T449 F459	T218-A439 HydrophobicContact CG2-CB 3.93Å; L219-A439 PolarHBondContact O-N 2.85Å; E220-A439 HydrophobicContact CG-CB 4.23Å; A439-R447 HydrophobicContact CB-CG 4.17Å; A439-V448 WeakPolarHBondContact CA-O 3.39Å; A439-T449 HydrophobicContact CB-CG2 4.1Å; A439-F459 WeakPolarHBondContact O-CE1 3.25Å
440	T	88.1	Confident	92	Very high	46 Å²	46	76 Å²	76	28%	0.282	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.4	175	-169.5	0	0	0	0	110.7	V448	T440-V448 HydrophobicContact CG2-CB 4.37Å; T440-V448 PolarHBondContact N-O 3.46Å; T440-V448 PolarHBondContact O-N 2.81Å
441	K	88.6	Confident	92.3	Very high	169 Å²	169	71.7 Å²	71.7	74%	0.735	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.6	170.8	-68.5	-177.6	-179.3	178.9	0	108.6	N446	K441-N446 CarbonylContact C-O 3.55Å; K441-N446 WeakPolarHBondContact CA-O 3.29Å
442	D	88.8	Confident	92.5	Very high	50 Å²	50	69.4 Å²	69.4	27%	0.267	34%	0.337	S	S	.	.			trans	-74.2	178.7	173.7	74.1	5.1	0	0	0	111.9	Y444 G445 N446 V448	D442-Y444 PolarHBondContact O-N 2.86Å; D442-Y444 VanDerWaalsContact O-N 3.11Å; D442-Y444 VanDerWaalsContact OD1-C 3.26Å; D442-Y444 VanDerWaalsContact OD1-CA 3.29Å; D442-Y444 WeakPolarHBondContact OD1-CA 3.4Å; D442-Y444 WeakPolarHBondContact OD1-CB 3.48Å; D442-Y444 PolarHBondContact OD1-N 3.34Å; D442-G445 PolarHBondContact O-N 3.39Å; D442-G445 PolarHBondContact OD1-N 3.41Å; D442-N446 PolarHBondContact N-O 2.86Å; D442-N446 WeakPolarHBondContact OD1-CB 3.49Å; D442-N446 PolarHBondContact OD1-N 2.83Å; D442-N446 PolarHBondContact OD2-ND2 3.04Å; D442-V448 HydrophobicContact CB-CG2 3.9Å
443	K	88.4	Confident	92.7	Very high	149 Å²	149	72.8 Å²	72.8	65%	0.648	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.7	176.3	62.6	-179.1	177.1	173.4	0	115	L688	K443-L688 HydrophobicContact CB-CD2 4.21Å
444	Y	90.9	Very high	92.7	Very high	168 Å²	168	75.1 Å²	75.1	66%	0.659	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.3	177.3	-56.2	-69.3	0	0	0	112	D442 N446	D442-Y444 PolarHBondContact O-N 2.86Å; D442-Y444 VanDerWaalsContact O-N 3.11Å; D442-Y444 VanDerWaalsContact OD1-C 3.26Å; D442-Y444 VanDerWaalsContact OD1-CA 3.29Å; D442-Y444 WeakPolarHBondContact OD1-CA 3.4Å; D442-Y444 WeakPolarHBondContact OD1-CB 3.48Å; D442-Y444 PolarHBondContact OD1-N 3.34Å; Y444-N446 VanDerWaalsContact C-N 3.27Å; Y444-N446 PolarHBondContact O-N 3.36Å
445	G	88.7	Confident	92.8	Very high	50 Å²	50	74.9 Å²	74.9	52%	0.515	36%	0.363	S	S	.	.	S	Bend	trans	78.2	5.2	-177.5	0	0	0	0	0	114.6	D442	D442-G445 PolarHBondContact O-N 3.39Å; D442-G445 PolarHBondContact OD1-N 3.41Å
446	N	92.2	Very high	92.8	Very high	94 Å²	94	70.3 Å²	70.3	50%	0.503	34%	0.343	S	S	.	.			trans	-77.5	143.8	177.4	-55.8	-51.4	0	0	0	110.7	K441 D442 Y444 V448	K441-N446 CarbonylContact C-O 3.55Å; K441-N446 WeakPolarHBondContact CA-O 3.29Å; D442-N446 PolarHBondContact N-O 2.86Å; D442-N446 WeakPolarHBondContact OD1-CB 3.49Å; D442-N446 PolarHBondContact OD1-N 2.83Å; D442-N446 PolarHBondContact OD2-ND2 3.04Å; Y444-N446 VanDerWaalsContact C-N 3.27Å; Y444-N446 PolarHBondContact O-N 3.36Å; N446-V448 PolarHBondContact O-N 2.79Å
447	R	91.7	Very high	92.6	Very high	155 Å²	155	70.3 Å²	70.3	59%	0.585	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.7	174.5	-176.4	-179.5	173.5	-176.1	3.5	110	E220 A439	E220-R447 IonicContact OE1-CZ 2.64Å; E220-R447 IonicContact OE1-NE 3.68Å; E220-R447 IonicContact OE1-NH1 3.17Å; E220-R447 IonicContact OE1-NH2 3.44Å; E220-R447 PolarHBondContact OE1-NH2 2.89Å; A439-R447 HydrophobicContact CB-CG 4.17Å
448	V	92.7	Very high	92.3	Very high	48 Å²	48	73.4 Å²	73.4	29%	0.291	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.3	175.9	-179.9	0	0	0	0	109.4	A439 T440 D442 N446 R450	A439-V448 WeakPolarHBondContact CA-O 3.39Å; T440-V448 HydrophobicContact CG2-CB 4.37Å; T440-V448 PolarHBondContact N-O 3.46Å; T440-V448 PolarHBondContact O-N 2.81Å; D442-V448 HydrophobicContact CB-CG2 3.9Å; N446-V448 PolarHBondContact O-N 2.79Å; V448-R450 HydrophobicContact CG1-CG 4.4Å
449	T	94.2	Very high	92.1	Very high	81 Å²	81	72.8 Å²	72.8	50%	0.497	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.2	175.8	50.4	0	0	0	0	110.6	T218 Y438 A439	T218-T449 HydrophobicContact CG2-CG2 4.29Å; Y438-T449 WeakPolarHBondContact O-CA 3.39Å; A439-T449 HydrophobicContact CB-CG2 4.1Å
450	R	94.7	Very high	92.2	Very high	139 Å²	139	72.3 Å²	72.3	53%	0.525	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.9	177.7	-66.1	-178.2	-177.9	-178	3.9	110.3	F437 Y438 V448	F437-R450 CarbonylContact C-O 3.52Å; F437-R450 WeakPolarHBondContact CA-O 3.4Å; F437-R450 WeakPolarHBondContact CB-O 3.17Å; Y438-R450 HydrophobicContact CD1-CB 4.14Å; Y438-R450 HydrophobicContact CE1-CB 3.56Å; Y438-R450 HydrophobicContact CE2-CB 4.01Å; Y438-R450 HydrophobicContact CE2-CG 4.49Å; Y438-R450 VanDerWaalsContact CZ-CB 3.5Å; Y438-R450 PolarHBondContact N-O 3.26Å; Y438-R450 PolarHBondContact O-N 2.95Å; Y438-R450 VanDerWaalsContact OH-CD 3.29Å; Y438-R450 WeakPolarHBondContact OH-CD 3.21Å; V448-R450 HydrophobicContact CG1-CG 4.4Å
451	V	95.5	Very high	92.5	Very high	65 Å²	65	70.8 Å²	70.8	39%	0.394	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.1	176.2	-177.6	0	0	0	0	109.3	F437 Y438 R453	F437-V451 HydrophobicContact CD1-CG2 4.06Å; F437-V451 HydrophobicContact CE1-CG2 3.83Å; Y438-V451 WeakPolarHBondContact CE1-O 3.25Å; V451-R453 HydrophobicContact CG1-CB 4.15Å; V451-R453 HydrophobicContact CG1-CG 4.45Å; V451-R453 PolarHBondContact O-N 3.3Å
452	A	95.1	Very high	92.8	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-76.4	41.2	-179	0	0	0	0	0	113.8	V424 V436 Y438 P454 L455	V424-A452 HydrophobicContact CB-CB 4.27Å; V424-A452 VanDerWaalsContact CB-O 3.29Å; V424-A452 WeakPolarHBondContact CB-O 3.42Å; V424-A452 HydrophobicContact CG2-CB 3.61Å; V424-A452 WeakPolarHBondContact CG2-O 3.5Å; V424-A452 PolarHBondContact N-O 3.44Å; V436-A452 HydrophobicContact CB-CB 3.96Å; V436-A452 HydrophobicContact CG1-CB 3.74Å; V436-A452 VanDerWaalsContact O-CB 3.23Å; V436-A452 WeakPolarHBondContact O-CB 3.49Å; V436-A452 PolarHBondContact O-N 2.87Å; Y438-A452 HydrophobicContact CD1-CB 4.35Å; A452-P454 CarbonylContact C-O 3.52Å; A452-P454 VanDerWaalsContact C-O 3.32Å; A452-L455 HydrophobicContact CB-CB 4.02Å; A452-L455 HydrophobicContact CB-CD1 4.07Å; A452-L455 HydrophobicContact CB-CD2 4.34Å; A452-L455 HydrophobicContact CB-CG 4.37Å
453	R	95	Very high	93.1	Very high	98 Å²	98	63.6 Å²	63.6	37%	0.37	31%	0.312	S	S	.	.	S	Bend	trans	-137.9	78.9	178.8	-73.7	180	-76.3	167.2	-6.2	108.6	Y423 V424 E426 V451	Y423-R453 HydrophobicContact CD2-CB 4.4Å; Y423-R453 HydrophobicContact CD2-CG 4.49Å; Y423-R453 HydrophobicContact CE1-CG 4.05Å; Y423-R453 HydrophobicContact CE2-CB 3.86Å; Y423-R453 HydrophobicContact CE2-CG 4.05Å; V424-R453 HydrophobicContact CB-CG 4.27Å; V424-R453 WeakPolarHBondContact O-CD 3.38Å; V424-R453 VanDerWaalsContact O-CG 3.23Å; V424-R453 WeakPolarHBondContact O-CG 3.43Å; E426-R453 IonicContact OE1-CZ 3.12Å; E426-R453 IonicContact OE1-NH1 2.77Å; E426-R453 PolarHBondContact OE1-NH1 2.89Å; V451-R453 HydrophobicContact CG1-CB 4.15Å; V451-R453 HydrophobicContact CG1-CG 4.45Å; V451-R453 PolarHBondContact O-N 3.3Å
454	P	94.5	Very high	93.4	Very high	58 Å²	58	56.9 Å²	56.9	38%	0.377	28%	0.283	S	S	.	.	S	Bend	cis	-85.4	169.1	7.2	34.3	-35.1	0	0	0	114.2	L421 A452	L421-P454 HydrophobicContact CB-CB 4.13Å; L421-P454 HydrophobicContact CD1-CB 3.92Å; L421-P454 HydrophobicContact CD1-CG 3.87Å; L421-P454 HydrophobicContact CG-CB 4.43Å; A452-P454 CarbonylContact C-O 3.52Å; A452-P454 VanDerWaalsContact C-O 3.32Å
455	L	94.8	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.8	178	176.1	55.6	0	0	0	110.2	L219 L406 I412 G422 V424 Y438 A452 V457 L460	L219-L455 HydrophobicContact CD1-CD1 3.68Å; L219-L455 HydrophobicContact CD1-CD2 3.63Å; L219-L455 HydrophobicContact CD1-CG 4.33Å; L406-L455 HydrophobicContact CD1-CD2 4.24Å; I412-L455 HydrophobicContact CD1-CD2 3.84Å; G422-L455 PolarHBondContact N-O 3.31Å; G422-L455 PolarHBondContact O-N 3.5Å; V424-L455 HydrophobicContact CG2-CD2 4.15Å; Y438-L455 HydrophobicContact CD1-CD1 4.08Å; Y438-L455 HydrophobicContact CG-CD1 4.27Å; A452-L455 HydrophobicContact CB-CB 4.02Å; A452-L455 HydrophobicContact CB-CD1 4.07Å; A452-L455 HydrophobicContact CB-CD2 4.34Å; A452-L455 HydrophobicContact CB-CG 4.37Å; L455-V457 PolarHBondContact O-N 3.26Å; L455-L460 HydrophobicContact CD2-CD1 4.09Å; L455-L460 HydrophobicContact CD2-CD2 4.23Å; L455-L460 HydrophobicContact CD2-CG 4.45Å
456	P	93.8	Very high	93.9	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.143	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.6	175	-19.3	31.7	0	0	0	111.5	L421 Y438 E458 F459	L421-P456 HydrophobicContact CD2-CB 4.17Å; L421-P456 HydrophobicContact CD2-CG 4.19Å; Y438-P456 HydrophobicContact CE2-CG 4.24Å; P456-E458 HydrophobicContact CB-CG 3.97Å; P456-E458 PolarHBondContact O-N 2.86Å; P456-F459 HydrophobicContact CB-CD2 3.95Å; P456-F459 HydrophobicContact CB-CE2 4.14Å; P456-F459 HydrophobicContact CG-CD2 4.28Å; P456-F459 HydrophobicContact CG-CE2 4.18Å; P456-F459 PolarHBondContact O-N 3.11Å
457	V	92.6	Very high	94.1	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.024	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.4	-175.9	173	0	0	0	0	111.7	A350 C353 E420 L455 F459 L460 L461	A350-V457 HydrophobicContact CB-CG2 3.72Å; C353-V457 HydrophobicContact CB-CG1 3.72Å; E420-V457 WeakPolarHBondContact O-CB 3.41Å; E420-V457 VanDerWaalsContact O-CG2 3.29Å; E420-V457 WeakPolarHBondContact O-CG2 3.32Å; E420-V457 PolarHBondContact O-N 3.1Å; L455-V457 PolarHBondContact O-N 3.26Å; V457-F459 PolarHBondContact O-N 2.63Å; V457-F459 VanDerWaalsContact O-N 3.11Å; V457-L460 WeakPolarHBondContact O-CA 3.01Å; V457-L460 VanDerWaalsContact O-CB 3.27Å; V457-L460 WeakPolarHBondContact O-CB 3.32Å; V457-L460 PolarHBondContact O-N 3.49Å; V457-L461 HydrophobicContact CG1-CD1 4.02Å; V457-L461 HydrophobicContact CG1-CD2 4.29Å; V457-L461 HydrophobicContact CG1-CG 4.07Å
458	E	89.7	Confident	94.2	Very high	112 Å²	112	42.9 Å²	42.9	52%	0.523	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-53	-33.5	178.2	65.2	177.6	178.5	0	0	114.2	P456 L460 L461	P456-E458 HydrophobicContact CB-CG 3.97Å; P456-E458 PolarHBondContact O-N 2.86Å; E458-L460 PolarHBondContact O-N 2.76Å; E458-L461 PolarHBondContact O-N 3.45Å
459	F	91.1	Very high	94.2	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.031	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-70.5	-17.3	178.5	-72.4	-89.8	0	0	0	112.5	I221 Y438 A439 P456 V457	I221-F459 HydrophobicContact CD1-CE1 4.5Å; I221-F459 HydrophobicContact CG1-CD1 3.88Å; I221-F459 HydrophobicContact CG1-CE1 4.23Å; Y438-F459 HydrophobicContact CD2-CD1 4.49Å; Y438-F459 HydrophobicContact CD2-CD2 4.09Å; Y438-F459 HydrophobicContact CD2-CE1 4.13Å; Y438-F459 AromaticContact CD2-CE2 3.7Å; Y438-F459 HydrophobicContact CD2-CE2 3.7Å; Y438-F459 HydrophobicContact CD2-CG 4.49Å; Y438-F459 AromaticContact CD2-CZ 3.73Å; Y438-F459 HydrophobicContact CD2-CZ 3.73Å; Y438-F459 AromaticContact CE2-CE2 3.95Å; Y438-F459 HydrophobicContact CE2-CE2 3.95Å; Y438-F459 HydrophobicContact CE2-CZ 4.15Å; A439-F459 WeakPolarHBondContact O-CE1 3.25Å; P456-F459 HydrophobicContact CB-CD2 3.95Å; P456-F459 HydrophobicContact CB-CE2 4.14Å; P456-F459 HydrophobicContact CG-CD2 4.28Å; P456-F459 HydrophobicContact CG-CE2 4.18Å; P456-F459 PolarHBondContact O-N 3.11Å; V457-F459 PolarHBondContact O-N 2.63Å; V457-F459 VanDerWaalsContact O-N 3.11Å
460	L	95.1	Very high	94	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-94.8	-8.8	-178.1	-56.3	-177.3	0	0	0	112.4	L219 V399 S400 A403 L406 I412 L455 V457 E458	L219-L460 HydrophobicContact CD1-CD2 4.27Å; V399-L460 CarbonylContact C-O 3.6Å; V399-L460 VanDerWaalsContact CA-O 3.27Å; V399-L460 WeakPolarHBondContact CA-O 3.16Å; S400-L460 PolarHBondContact N-O 3.2Å; S400-L460 PolarHBondContact OG-O 2.78Å; A403-L460 HydrophobicContact CB-CB 3.8Å; A403-L460 HydrophobicContact CB-CD1 4.36Å; A403-L460 HydrophobicContact CB-CD2 3.88Å; A403-L460 HydrophobicContact CB-CG 4.22Å; L406-L460 HydrophobicContact CD1-CD2 4.31Å; I412-L460 HydrophobicContact CD1-CD1 3.58Å; L455-L460 HydrophobicContact CD2-CD1 4.09Å; L455-L460 HydrophobicContact CD2-CD2 4.23Å; L455-L460 HydrophobicContact CD2-CG 4.45Å; V457-L460 WeakPolarHBondContact O-CA 3.01Å; V457-L460 VanDerWaalsContact O-CB 3.27Å; V457-L460 WeakPolarHBondContact O-CB 3.32Å; V457-L460 PolarHBondContact O-N 3.49Å; E458-L460 PolarHBondContact O-N 2.76Å
461	L	95	Very high	93.9	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.8	-171.7	-57.8	-176.7	0	0	0	113	F347 L348 C353 Y397 V399 V457 E458	F347-L461 HydrophobicContact CB-CD1 3.85Å; L348-L461 HydrophobicContact CB-CD1 4.07Å; L348-L461 HydrophobicContact CD1-CD1 4.35Å; L348-L461 HydrophobicContact CD1-CD2 3.81Å; L348-L461 HydrophobicContact CG-CD1 4.14Å; L348-L461 HydrophobicContact CG-CD2 4.48Å; C353-L461 HydrophobicContact CB-CD2 4.44Å; Y397-L461 HydrophobicContact CD1-CD1 4.24Å; Y397-L461 HydrophobicContact CE1-CD1 4.47Å; V399-L461 HydrophobicContact CG1-CD2 4.05Å; V457-L461 HydrophobicContact CG1-CD1 4.02Å; V457-L461 HydrophobicContact CG1-CD2 4.29Å; V457-L461 HydrophobicContact CG1-CG 4.07Å; E458-L461 PolarHBondContact O-N 3.45Å
462	T	95.3	Very high	93.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.2	163.6	57.3	0	0	0	0	107.6	F165 Q222 Y397 Q398 M464	F165-T462 HydrophobicContact CD1-CG2 4.2Å; F165-T462 HydrophobicContact CE1-CG2 3.88Å; F165-T462 HydrophobicContact CZ-CG2 4.25Å; Q222-T462 HydrophobicContact CB-CG2 3.99Å; Y397-T462 WeakPolarHBondContact CA-O 3.17Å; Q398-T462 WeakPolarHBondContact CB-OG1 3.35Å; Q398-T462 PolarHBondContact N-O 3.46Å; Q398-T462 PolarHBondContact O-N 3.08Å; Q398-T462 PolarHBondContact O-OG1 3.48Å; Q398-T462 VanDerWaalsContact O-OG1 3.08Å; T462-M464 WeakPolarHBondContact O-CE 3.35Å
463	N	94.6	Very high	93.5	Very high	67 Å²	67	49.1 Å²	49.1	36%	0.358	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	153.1	-177.1	67.9	-69.4	0	0	0	112.3	K164 F165 R225 A396 Y397	K164-N463 PolarHBondContact NZ-OD1 3.46Å; F165-N463 WeakPolarHBondContact CE2-OD1 3.41Å; R225-N463 PolarHBondContact NH1-O 3.36Å; A396-N463 WeakPolarHBondContact O-CA 3.39Å; Y397-N463 HydrophobicContact CD1-CB 3.84Å; Y397-N463 HydrophobicContact CE1-CB 3.78Å
464	M	94.8	Very high	93.3	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.5	175.9	56	-128	55.3	0	0	112.9	R225 V227 V230 T380 A396 Q398 T462	R225-M464 VanDerWaalsContact NH1-CA 3.33Å; R225-M464 VanDerWaalsContact NH1-CB 3.33Å; V227-M464 HydrophobicContact CB-SD 4.43Å; V227-M464 HydrophobicContact CG1-SD 4.47Å; V230-M464 HydrophobicContact CG2-CG 4.35Å; T380-M464 HydrophobicContact CG2-SD 4.26Å; A396-M464 HydrophobicContact CB-CG 3.4Å; A396-M464 VanDerWaalsContact CB-CG 3.4Å; A396-M464 HydrophobicContact CB-SD 4.25Å; A396-M464 PolarHBondContact O-N 3.39Å; Q398-M464 HydrophobicContact CB-CE 4.1Å; Q398-M464 HydrophobicContact CG-CE 3.79Å; Q398-M464 HydrophobicContact CG-SD 3.93Å; T462-M464 WeakPolarHBondContact O-CE 3.35Å
465	P	94.6	Very high	93.2	Very high	67 Å²	67	44.4 Å²	44.4	44%	0.435	24%	0.236	S	C	.	.			trans	-65.4	152.1	172.7	28.3	-37.2	0	0	0	112.1	D228 F229 V230	D228-P465 WeakPolarHBondContact O-CD 3.38Å; F229-P465 HydrophobicContact CD2-CB 4.07Å; F229-P465 HydrophobicContact CD2-CG 3.61Å; F229-P465 HydrophobicContact CE2-CB 4.07Å; F229-P465 HydrophobicContact CE2-CG 4.1Å; V230-P465 PolarHBondContact N-O 3.31Å; V230-P465 VanDerWaalsContact N-O 3.08Å
466	T	95.5	Very high	93	Very high	23 Å²	23	45.3 Å²	45.3	14%	0.141	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.9	170.9	69.2	0	0	0	0	110.5	V230 F394 A396	V230-T466 HydrophobicContact CB-CG2 3.82Å; V230-T466 HydrophobicContact CG2-CG2 4.37Å; V230-T466 WeakPolarHBondContact O-CA 3.48Å; F394-T466 VanDerWaalsContact CB-OG1 3.27Å; F394-T466 WeakPolarHBondContact CB-OG1 3.44Å; F394-T466 PolarHBondContact O-OG1 3.28Å; A396-T466 HydrophobicContact CB-CG2 3.16Å
467	A	94.9	Very high	92.7	Very high	40 Å²	40	44.9 Å²	44.9	33%	0.331	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	179.8	171.4	0	0	0	0	0	112.8	F229 V230 Q231 F232	F229-A467 HydrophobicContact CE1-CB 4.45Å; F229-A467 HydrophobicContact CE2-CB 4.47Å; F229-A467 HydrophobicContact CZ-CB 3.64Å; V230-A467 PolarHBondContact O-N 3.33Å; V230-A467 VanDerWaalsContact O-N 3.1Å; Q231-A467 WeakPolarHBondContact CA-O 3.4Å; F232-A467 PolarHBondContact N-O 3.09Å; F232-A467 VanDerWaalsContact N-O 3.11Å
468	F	94.9	Very high	92.5	Very high	42 Å²	42	50.4 Å²	50.4	18%	0.184	26%	0.263	C	S	.	.			trans	-94.3	150.1	167.4	-57.5	-86.3	0	0	0	109.6	F232 N234 P235 M238 F394	F232-F468 HydrophobicContact CB-CD1 3.66Å; F232-F468 HydrophobicContact CB-CE1 3.44Å; F232-F468 VanDerWaalsContact CB-CE1 3.44Å; F232-F468 HydrophobicContact CB-CZ 4.26Å; F232-F468 HydrophobicContact CD2-CE1 4.46Å; F232-F468 HydrophobicContact CD2-CZ 4.5Å; F232-F468 HydrophobicContact CG-CE1 4.22Å; N234-F468 WeakPolarHBondContact O-CE1 3.27Å; P235-F468 HydrophobicContact CG-CD1 4.3Å; M238-F468 HydrophobicContact CB-CE1 4.34Å; M238-F468 HydrophobicContact CB-CZ 3.96Å; M238-F468 HydrophobicContact CG-CZ 4.24Å; F394-F468 HydrophobicContact CE2-CE2 4.16Å; F394-F468 HydrophobicContact CE2-CZ 4.35Å
469	P	93	Very high	92.3	Very high	26 Å²	26	46.9 Å²	46.9	17%	0.169	25%	0.246	C	C	.	.			trans	-64	152.5	169.4	32.6	-38	0	0	0	110.2	F232 E233 E471 F473	F232-P469 WeakPolarHBondContact O-CD 3.41Å; E233-P469 VanDerWaalsContact O-CG 3.3Å; E233-P469 WeakPolarHBondContact O-CG 3.11Å; P469-E471 VanDerWaalsContact C-N 3.28Å; P469-E471 WeakPolarHBondContact CB-O 3.48Å; P469-E471 WeakPolarHBondContact CG-O 3.4Å; P469-E471 PolarHBondContact O-N 3.05Å; P469-F473 HydrophobicContact CB-CD1 4.38Å; P469-F473 HydrophobicContact CB-CE1 4.28Å; P469-F473 HydrophobicContact CG-CD1 3.81Å; P469-F473 HydrophobicContact CG-CE1 3.82Å
470	I	90.1	Very high	92	Very high	150 Å²	150	49.2 Å²	49.2	77%	0.769	26%	0.262	S	S	*	.	S	Bend	trans	-57.1	-45	176.6	-62.6	171.1	0	0	0	110.5
471	E	91.2	Very high	91.2	Very high	163 Å²	163	56.3 Å²	56.3	76%	0.762	30%	0.299	S	S	*	.	S	Bend	trans	-102.9	113.4	170.2	-68.7	-177.2	179.4	0	0	109.1	P469	P469-E471 VanDerWaalsContact C-N 3.28Å; P469-E471 WeakPolarHBondContact CB-O 3.48Å; P469-E471 WeakPolarHBondContact CG-O 3.4Å; P469-E471 PolarHBondContact O-N 3.05Å
472	P	93.4	Very high	90.6	Very high	64 Å²	64	62.2 Å²	62.2	42%	0.416	33%	0.331	S	S	.	.			trans	-58.1	140.6	174.9	-25.6	34.9	0	0	0	111.8	E233 N234 Y474	E233-P472 WeakPolarHBondContact O-CA 3.33Å; N234-P472 HydrophobicContact CB-CB 3.95Å; P472-Y474 HydrophobicContact CB-CE2 4.09Å
473	F	89.8	Confident	90	Very high	62 Å²	62	63 Å²	63	27%	0.272	34%	0.335	S	S	.	.			trans	-128.5	164.9	170.7	67.4	-80.1	0	0	0	110.7	E233 N234 V276 P469	E233-F473 CarbonylContact C-O 3.43Å; E233-F473 HydrophobicContact CB-CD1 4.32Å; E233-F473 HydrophobicContact CB-CD2 4.09Å; E233-F473 HydrophobicContact CB-CE1 4.1Å; E233-F473 HydrophobicContact CB-CE2 3.92Å; E233-F473 HydrophobicContact CB-CG 4.32Å; E233-F473 HydrophobicContact CB-CZ 3.92Å; E233-F473 VanDerWaalsContact CB-O 3.3Å; E233-F473 WeakPolarHBondContact CB-O 3.38Å; E233-F473 HydrophobicContact CG-CD2 3.96Å; E233-F473 HydrophobicContact CG-CE1 4.1Å; E233-F473 HydrophobicContact CG-CE2 3.34Å; E233-F473 HydrophobicContact CG-CZ 3.42Å; E233-F473 VanDerWaalsContact CG-CZ 3.42Å; E233-F473 PolarHBondContact O-N 2.98Å; E233-F473 WeakPolarHBondContact OE1-CE2 3.32Å; N234-F473 PolarHBondContact ND2-O 3.24Å; V276-F473 HydrophobicContact CG1-CE2 4.11Å; V276-F473 HydrophobicContact CG1-CZ 3.61Å; P469-F473 HydrophobicContact CB-CD1 4.38Å; P469-F473 HydrophobicContact CB-CE1 4.28Å; P469-F473 HydrophobicContact CG-CD1 3.81Å; P469-F473 HydrophobicContact CG-CE1 3.82Å
474	Y	91.6	Very high	89.5	Confident	37 Å²	37	62.4 Å²	62.4	15%	0.145	33%	0.334	C	S	.	.			trans	-138.6	94.4	-167	-64.5	-91	0	0	0	109	N234 Q236 P472 M476 K478 R565	N234-Y474 HydrophobicContact CB-CD1 4.19Å; N234-Y474 HydrophobicContact CB-CE1 3.56Å; N234-Y474 HydrophobicContact CB-CE2 4.3Å; N234-Y474 WeakPolarHBondContact ND2-CD1 3.18Å; Q236-Y474 HydrophobicContact CG-CE1 4.36Å; P472-Y474 HydrophobicContact CB-CE2 4.09Å; Y474-M476 VanDerWaalsContact C-N 3.28Å; Y474-K478 HydrophobicContact CD1-CB 3.68Å; Y474-K478 HydrophobicContact CD1-CG 3.82Å; Y474-K478 HydrophobicContact CD2-CB 4.19Å; Y474-K478 HydrophobicContact CD2-CD 3.76Å; Y474-K478 HydrophobicContact CD2-CG 3.99Å; Y474-K478 HydrophobicContact CE1-CB 4.18Å; Y474-K478 HydrophobicContact CE1-CD 4.47Å; Y474-K478 HydrophobicContact CE1-CG 3.8Å; Y474-K478 HydrophobicContact CE2-CD 3.72Å; Y474-K478 HydrophobicContact CE2-CG 3.97Å; Y474-K478 HydrophobicContact CG-CB 3.7Å; Y474-K478 HydrophobicContact CG-CD 4.17Å; Y474-K478 HydrophobicContact CG-CG 3.93Å; Y474-R565 PolarHBondContact O-NH1 2.91Å; Y474-R565 PolarHBondContact O-NH2 3.4Å
475	T	90.7	Very high	88.8	Confident	19 Å²	19	64.5 Å²	64.5	12%	0.117	35%	0.348	C	S	.	.	S	Bend	trans	-67.3	-35.1	171.9	-64.7	0	0	0	0	111	E233 L315 R565	E233-T475 WeakPolarHBondContact OE1-CB 3.28Å; E233-T475 PolarHBondContact OE1-OG1 3.29Å; E233-T475 WeakPolarHBondContact OE2-CB 3.44Å; E233-T475 PolarHBondContact OE2-N 3Å; E233-T475 PolarHBondContact OE2-OG1 2.97Å; L315-T475 HydrophobicContact CD2-CG2 4.38Å; T475-R565 PolarHBondContact O-NH1 3.07Å
476	M	91.2	Very high	88.1	Confident	19 Å²	19	63.8 Å²	63.8	9%	0.094	34%	0.34	C	S	.	.	S	Bend	trans	-99.3	-163.7	176.1	-57	-50.1	-83.7	0	0	111.8	V279 I313 L315 Y474 K478 T523 F525 L528	V279-M476 HydrophobicContact CG2-CG 3.58Å; I313-M476 HydrophobicContact CD1-CE 3.54Å; I313-M476 HydrophobicContact CD1-SD 4.05Å; L315-M476 HydrophobicContact CD1-SD 4.21Å; Y474-M476 VanDerWaalsContact C-N 3.28Å; M476-K478 PolarHBondContact O-N 2.91Å; M476-T523 WeakPolarHBondContact CB-O 3.29Å; M476-T523 VanDerWaalsContact CE-O 3.22Å; M476-T523 WeakPolarHBondContact CE-O 3.48Å; M476-F525 HydrophobicContact CE-CB 3.53Å; M476-F525 HydrophobicContact CE-CD2 3.86Å; M476-F525 HydrophobicContact CE-CG 4.2Å; M476-L528 HydrophobicContact CE-CD1 4.31Å
477	A	87.9	Confident	87.6	Confident	13 Å²	13	65.4 Å²	65.4	11%	0.107	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-55.6	132	176.7	0	0	0	0	0	112.6	F479 T520 T523 N524	A477-F479 HydrophobicContact CB-CE2 4.07Å; A477-F479 HydrophobicContact CB-CZ 4.16Å; A477-T520 HydrophobicContact CB-CG2 4.21Å; A477-T520 WeakPolarHBondContact CB-O 3.19Å; A477-T523 PolarHBondContact N-O 3.03Å; A477-T523 VanDerWaalsContact N-O 3.14Å; A477-N524 HydrophobicContact CB-CB 3.94Å
478	K	88.2	Confident	87.3	Confident	121 Å²	121	66.8 Å²	66.8	53%	0.526	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-99	117.3	168	179.8	-178.7	-179.9	-176.9	0	108.7	Y474 M476 T520	Y474-K478 HydrophobicContact CD1-CB 3.68Å; Y474-K478 HydrophobicContact CD1-CG 3.82Å; Y474-K478 HydrophobicContact CD2-CB 4.19Å; Y474-K478 HydrophobicContact CD2-CD 3.76Å; Y474-K478 HydrophobicContact CD2-CG 3.99Å; Y474-K478 HydrophobicContact CE1-CB 4.18Å; Y474-K478 HydrophobicContact CE1-CD 4.47Å; Y474-K478 HydrophobicContact CE1-CG 3.8Å; Y474-K478 HydrophobicContact CE2-CD 3.72Å; Y474-K478 HydrophobicContact CE2-CG 3.97Å; Y474-K478 HydrophobicContact CG-CB 3.7Å; Y474-K478 HydrophobicContact CG-CD 4.17Å; Y474-K478 HydrophobicContact CG-CG 3.93Å; M476-K478 PolarHBondContact O-N 2.91Å; K478-T520 WeakPolarHBondContact O-CG2 3.35Å
479	F	84.8	Confident	87.2	Confident	37 Å²	37	65.3 Å²	65.3	16%	0.162	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-86.9	142.2	173.1	-66.2	-79.4	0	0	0	110.4	Q236 A477 F483 I509 F513 N524	Q236-F479 PolarHBondContact NE2-O 3.15Å; A477-F479 HydrophobicContact CB-CE2 4.07Å; A477-F479 HydrophobicContact CB-CZ 4.16Å; F479-F483 HydrophobicContact CB-CB 4.36Å; F479-F483 AromaticContact CD1-CD1 3.95Å; F479-F483 HydrophobicContact CD1-CD1 3.95Å; F479-F483 HydrophobicContact CD1-CD2 4.49Å; F479-F483 AromaticContact CD1-CE1 4Å; F479-F483 HydrophobicContact CD1-CE1 4Å; F479-F483 HydrophobicContact CD1-CG 4.18Å; F479-F483 HydrophobicContact CD1-CZ 4.32Å; F479-F483 HydrophobicContact CE1-CE1 4.24Å; F479-F483 HydrophobicContact CE1-CZ 4.49Å; F479-I509 HydrophobicContact CE1-CD1 4Å; F479-I509 HydrophobicContact CZ-CD1 4.41Å; F479-F513 HydrophobicContact CD1-CE2 4.46Å; F479-F513 AromaticContact CD1-CZ 3.86Å; F479-F513 HydrophobicContact CD1-CZ 3.86Å; F479-F513 AromaticContact CE1-CE2 3.9Å; F479-F513 HydrophobicContact CE1-CE2 3.9Å; F479-F513 AromaticContact CE1-CZ 3.7Å; F479-F513 HydrophobicContact CE1-CZ 3.7Å; F479-N524 WeakPolarHBondContact CZ-ND2 3.06Å
480	P	84.8	Confident	87.2	Confident	57 Å²	57	64.7 Å²	64.7	37%	0.37	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-55.2	146.1	164.6	-22.6	32.6	0	0	0	111.1	D482 F483	P480-D482 VanDerWaalsContact CB-OD1 3.22Å; P480-D482 WeakPolarHBondContact CB-OD1 3.36Å; P480-D482 PolarHBondContact O-N 3.48Å; P480-F483 HydrophobicContact CB-CB 4.25Å; P480-F483 HydrophobicContact CG-CB 4.49Å; P480-F483 HydrophobicContact CG-CD2 4.19Å; P480-F483 WeakPolarHBondContact O-CB 3.47Å; P480-F483 PolarHBondContact O-N 3.47Å
481	D	78.7	Confident	87.5	Confident	152 Å²	152	58.1 Å²	58.1	81%	0.813	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-27.4	-179	-63.1	-42.6	0	0	0	112.3	F483	D481-F483 VanDerWaalsContact C-N 3.34Å
482	D	82	Confident	87.7	Confident	139 Å²	139	50.7 Å²	50.7	74%	0.743	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	11.4	175.3	66.7	-37.1	0	0	0	113.3	P480 P484	P480-D482 VanDerWaalsContact CB-OD1 3.22Å; P480-D482 WeakPolarHBondContact CB-OD1 3.36Å; P480-D482 PolarHBondContact O-N 3.48Å; D482-P484 WeakPolarHBondContact O-CD 3.4Å
483	F	83.5	Confident	87.8	Confident	17 Å²	17	49.9 Å²	49.9	8%	0.075	26%	0.258	C	S	.	.			trans	-64.1	120.5	-178.2	-165	-99	0	0	0	110.7	F479 P480 D481 F487 Q488 I509 K512 F513	F479-F483 HydrophobicContact CB-CB 4.36Å; F479-F483 AromaticContact CD1-CD1 3.95Å; F479-F483 HydrophobicContact CD1-CD1 3.95Å; F479-F483 HydrophobicContact CD1-CD2 4.49Å; F479-F483 AromaticContact CD1-CE1 4Å; F479-F483 HydrophobicContact CD1-CE1 4Å; F479-F483 HydrophobicContact CD1-CG 4.18Å; F479-F483 HydrophobicContact CD1-CZ 4.32Å; F479-F483 HydrophobicContact CE1-CE1 4.24Å; F479-F483 HydrophobicContact CE1-CZ 4.49Å; P480-F483 HydrophobicContact CB-CB 4.25Å; P480-F483 HydrophobicContact CG-CB 4.49Å; P480-F483 HydrophobicContact CG-CD2 4.19Å; P480-F483 WeakPolarHBondContact O-CB 3.47Å; P480-F483 PolarHBondContact O-N 3.47Å; D481-F483 VanDerWaalsContact C-N 3.34Å; F483-F487 HydrophobicContact CE1-CB 3.69Å; F483-F487 VanDerWaalsContact CE1-O 3.29Å; F483-F487 WeakPolarHBondContact CE1-O 3.4Å; F483-F487 HydrophobicContact CZ-CB 3.8Å; F483-Q488 HydrophobicContact CD1-CG 3.83Å; F483-Q488 HydrophobicContact CE1-CG 4.14Å; F483-I509 HydrophobicContact CZ-CG1 4.38Å; F483-K512 HydrophobicContact CE2-CG 3.88Å; F483-K512 HydrophobicContact CZ-CG 4.08Å; F483-F513 HydrophobicContact CE2-CE1 4.22Å; F483-F513 HydrophobicContact CE2-CE2 4.15Å; F483-F513 AromaticContact CE2-CZ 3.84Å; F483-F513 HydrophobicContact CE2-CZ 3.84Å; F483-F513 AromaticContact CZ-CE2 3.9Å; F483-F513 HydrophobicContact CZ-CE2 3.9Å; F483-F513 AromaticContact CZ-CZ 3.99Å; F483-F513 HydrophobicContact CZ-CZ 3.99Å
484	P	84.3	Confident	88.1	Confident	54 Å²	54	47 Å²	47	35%	0.351	25%	0.245	S	C	.	.			trans	-68.2	141.7	-171.1	-6.5	17	0	0	0	111.6	D482 D486 F487	D482-P484 WeakPolarHBondContact O-CD 3.4Å; P484-D486 VanDerWaalsContact C-N 3.29Å; P484-D486 PolarHBondContact O-N 3.01Å; P484-F487 HydrophobicContact CB-CD2 3.92Å; P484-F487 HydrophobicContact CG-CD2 3.94Å; P484-F487 HydrophobicContact CG-CE2 4.44Å; P484-F487 PolarHBondContact O-N 2.96Å; P484-F487 VanDerWaalsContact O-N 3.07Å
485	V	80.4	Confident	88.1	Confident	53 Å²	53	50.2 Å²	50.2	32%	0.321	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.9	-40.2	-173.7	-176.4	0	0	0	0	112	F487 Q488	V485-F487 PolarHBondContact O-N 3.31Å; V485-Q488 WeakPolarHBondContact O-CB 3.26Å; V485-Q488 PolarHBondContact O-N 3.4Å
486	D	79.4	Confident	88.1	Confident	51 Å²	51	53.6 Å²	53.6	27%	0.273	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17	180	-66	1.5	0	0	0	114.3	P484 R508 S613	P484-D486 VanDerWaalsContact C-N 3.29Å; P484-D486 PolarHBondContact O-N 3.01Å; D486-R508 PolarHBondContact O-NE 3.39Å; D486-S613 WeakPolarHBondContact OD2-CB 3.43Å; D486-S613 PolarHBondContact OD2-OG 2.96Å
487	F	85	Confident	88.2	Confident	57 Å²	57	54.7 Å²	54.7	25%	0.25	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-102.9	-2.1	178.1	-66.8	-86.4	0	0	0	113.1	F483 P484 V485 R508 I509 K512	F483-F487 HydrophobicContact CE1-CB 3.69Å; F483-F487 VanDerWaalsContact CE1-O 3.29Å; F483-F487 WeakPolarHBondContact CE1-O 3.4Å; F483-F487 HydrophobicContact CZ-CB 3.8Å; P484-F487 HydrophobicContact CB-CD2 3.92Å; P484-F487 HydrophobicContact CG-CD2 3.94Å; P484-F487 HydrophobicContact CG-CE2 4.44Å; P484-F487 PolarHBondContact O-N 2.96Å; P484-F487 VanDerWaalsContact O-N 3.07Å; V485-F487 PolarHBondContact O-N 3.31Å; F487-R508 HydrophobicContact CD1-CB 4.21Å; F487-R508 WeakPolarHBondContact CD1-O 3.4Å; F487-I509 WeakPolarHBondContact O-CB 3.4Å; F487-I509 WeakPolarHBondContact O-CD1 3.1Å; F487-I509 WeakPolarHBondContact O-CG1 3.19Å; F487-K512 HydrophobicContact CB-CB 4.47Å; F487-K512 HydrophobicContact CB-CG 4.28Å; F487-K512 HydrophobicContact CD1-CB 3.53Å; F487-K512 HydrophobicContact CD1-CD 4.22Å; F487-K512 HydrophobicContact CD1-CG 3.88Å; F487-K512 HydrophobicContact CE1-CB 4.03Å; F487-K512 HydrophobicContact CE1-CD 4.32Å; F487-K512 HydrophobicContact CE1-CG 4.42Å; F487-K512 HydrophobicContact CG-CB 4.18Å; F487-K512 HydrophobicContact CG-CD 4.4Å; F487-K512 HydrophobicContact CG-CG 4.06Å
488	Q	88.1	Confident	88.3	Confident	70 Å²	70	56.9 Å²	56.9	33%	0.327	32%	0.315	S	S	.	.	S	Bend	trans	-73.2	138.3	173.8	-65.7	-175.6	7	0	0	109.8	F483 V485	F483-Q488 HydrophobicContact CD1-CG 3.83Å; F483-Q488 HydrophobicContact CE1-CG 4.14Å; V485-Q488 WeakPolarHBondContact O-CB 3.26Å; V485-Q488 PolarHBondContact O-N 3.4Å
489	F	92.7	Very high	88.4	Confident	10 Å²	10	52.8 Å²	52.8	4%	0.044	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-71.6	131.2	174.4	-170.5	-109.1	0	0	0	109.7	Q501 F506 I509 H526 I527 W530	F489-Q501 HydrophobicContact CE1-CB 4.25Å; F489-Q501 HydrophobicContact CE1-CG 3.7Å; F489-Q501 HydrophobicContact CZ-CB 3.85Å; F489-Q501 HydrophobicContact CZ-CG 3.81Å; F489-F506 HydrophobicContact CD2-CB 4.49Å; F489-F506 HydrophobicContact CE2-CB 4.01Å; F489-I509 HydrophobicContact CB-CD1 4.07Å; F489-I509 HydrophobicContact CD2-CG2 4.46Å; F489-H526 HydrophobicContact CD1-CB 3.97Å; F489-H526 HydrophobicContact CE1-CB 4.37Å; F489-H526 WeakPolarHBondContact CE1-O 3.41Å; F489-I527 HydrophobicContact CB-CD1 4.01Å; F489-I527 HydrophobicContact CB-CG1 3.79Å; F489-I527 HydrophobicContact CD1-CB 4.45Å; F489-I527 HydrophobicContact CD1-CG1 3.52Å; F489-I527 HydrophobicContact CD2-CD1 4.41Å; F489-I527 HydrophobicContact CD2-CG1 3.89Å; F489-I527 HydrophobicContact CE1-CG1 4Å; F489-I527 HydrophobicContact CE2-CG1 4.36Å; F489-I527 HydrophobicContact CG-CD1 4.11Å; F489-I527 HydrophobicContact CG-CG1 3.44Å; F489-I527 VanDerWaalsContact CG-CG1 3.44Å; F489-I527 HydrophobicContact CZ-CG1 4.4Å; F489-W530 HydrophobicContact CE1-CB 4.02Å; F489-W530 HydrophobicContact CE1-CG 4.36Å; F489-W530 HydrophobicContact CE2-CD2 4.4Å; F489-W530 HydrophobicContact CE2-CE3 4.26Å; F489-W530 HydrophobicContact CZ-CB 3.89Å; F489-W530 AromaticContact CZ-CD2 3.72Å; F489-W530 HydrophobicContact CZ-CD2 3.72Å; F489-W530 AromaticContact CZ-CE3 3.85Å; F489-W530 HydrophobicContact CZ-CE3 3.85Å; F489-W530 AromaticContact CZ-CG 3.76Å; F489-W530 HydrophobicContact CZ-CG 3.76Å
490	P	94.4	Very high	88.7	Confident	13 Å²	13	55.1 Å²	55.1	8%	0.084	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-54.5	138.5	177.7	-32.5	41.2	0	0	0	113.2	Q499 I500 Q501	P490-Q499 HydrophobicContact CB-CB 4.09Å; P490-I500 WeakPolarHBondContact CG-O 3.43Å; P490-Q501 HydrophobicContact CB-CG 3.99Å; P490-Q501 VanDerWaalsContact O-CG 3.29Å; P490-Q501 WeakPolarHBondContact O-CG 3.46Å; P490-Q501 PolarHBondContact O-NE2 3.26Å
491	I	95.7	Very high	89.2	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.062	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-78.2	154.4	171.6	-55	-61.7	0	0	0	109.3	T240 E282 R494	T240-I491 HydrophobicContact CG2-CD1 3.59Å; T240-I491 HydrophobicContact CG2-CG1 3.67Å; E282-I491 HydrophobicContact CB-CG2 4.19Å; E282-I491 HydrophobicContact CG-CG2 3.97Å; E282-I491 WeakPolarHBondContact OE1-CG2 3.44Å; I491-R494 HydrophobicContact CB-CG 4.45Å
492	E	95.5	Very high	89.9	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.033	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	145	-175.9	-58.3	80.8	-170.2	0	0	112.7	R252 Y281 E282 R494 H526	R252-E492 PolarHBondContact NH2-O 3.1Å; Y281-E492 HydrophobicContact CD2-CG 4.11Å; Y281-E492 HydrophobicContact CE2-CB 4.37Å; Y281-E492 HydrophobicContact CE2-CG 3.59Å; E282-E492 WeakPolarHBondContact O-CB 3.5Å; E492-R494 VanDerWaalsContact C-N 3.31Å; E492-R494 PolarHBondContact O-N 3.38Å; E492-H526 VanDerWaalsContact CD-ND1 3.26Å; E492-H526 WeakPolarHBondContact OE1-CA 3.47Å; E492-H526 WeakPolarHBondContact OE1-CB 3.39Å; E492-H526 IonicContact OE1-CG 2.94Å; E492-H526 IonicContact OE1-ND1 2.79Å; E492-H526 PolarHBondContact OE1-ND1 2.82Å; E492-H526 IonicContact OE2-CE1 2.75Å; E492-H526 IonicContact OE2-ND1 2.83Å; E492-H526 PolarHBondContact OE2-ND1 3.29Å
493	N	95.9	Very high	90.4	Very high	47 Å²	47	44.6 Å²	44.6	25%	0.251	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	32.1	170.3	-56	-71.7	0	0	0	114.8	R252 E282 P283 A284 E495	R252-N493 PolarHBondContact NH1-O 3.45Å; R252-N493 PolarHBondContact NH2-O 2.95Å; E282-N493 PolarHBondContact O-ND2 3.21Å; P283-N493 VanDerWaalsContact C-ND2 3.29Å; A284-N493 PolarHBondContact N-ND2 3.13Å; N493-E495 WeakPolarHBondContact CA-OE2 2.85Å
494	R	95.3	Very high	90.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-110	28	179	-65	-167.8	180	-175.2	-0.2	113.4	T240 F241 Y244 E282 I491 E492 C496 L497 Q499	T240-R494 PolarHBondContact O-NH1 2.83Å; T240-R494 PolarHBondContact O-NH2 3.43Å; F241-R494 PolarHBondContact O-NH2 3.22Å; Y244-R494 HydrophobicContact CD2-CG 3.88Å; Y244-R494 HydrophobicContact CE2-CG 4.28Å; E282-R494 IonicContact OE1-CZ 2.76Å; E282-R494 VanDerWaalsContact OE1-CZ 3.3Å; E282-R494 IonicContact OE1-NE 4Å; E282-R494 PolarHBondContact OE1-NE 3.39Å; E282-R494 IonicContact OE1-NH2 3.02Å; E282-R494 PolarHBondContact OE1-NH2 3.48Å; E282-R494 IonicContact OE2-CZ 3.2Å; E282-R494 IonicContact OE2-NE 2.82Å; E282-R494 PolarHBondContact OE2-NE 3.42Å; E282-R494 VanDerWaalsContact OE2-NE 3.08Å; E282-R494 IonicContact OE2-NH2 3.51Å; I491-R494 HydrophobicContact CB-CG 4.45Å; E492-R494 VanDerWaalsContact C-N 3.31Å; E492-R494 PolarHBondContact O-N 3.38Å; R494-C496 PolarHBondContact O-N 2.79Å; R494-C496 VanDerWaalsContact O-N 3.14Å; R494-L497 WeakPolarHBondContact O-CB 3.18Å; R494-L497 PolarHBondContact O-N 3.15Å; R494-Q499 CarbonylContact C-O 3.5Å; R494-Q499 HydrophobicContact CB-CB 3.93Å; R494-Q499 PolarHBondContact O-N 3.22Å
495	E	92.5	Very high	91.2	Very high	104 Å²	104	43.7 Å²	43.7	49%	0.486	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.1	-26.3	-175.1	-60.8	76.5	-169	0	0	112.6	N493 L497 G498 I500	N493-E495 WeakPolarHBondContact CA-OE2 2.85Å; E495-L497 PolarHBondContact O-N 3.16Å; E495-G498 PolarHBondContact O-N 3.27Å; E495-I500 HydrophobicContact CG-CG1 4.3Å
496	C	90.9	Very high	91.8	Very high	91 Å²	91	41.2 Å²	41.2	62%	0.615	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-61.5	-22.1	174.1	62.5	0	0	0	0	113.6	Y244 R494	Y244-C496 PolarHBondContact OH-SG 3.3Å; R494-C496 PolarHBondContact O-N 2.79Å; R494-C496 VanDerWaalsContact O-N 3.14Å
497	L	91.4	Very high	92.5	Very high	42 Å²	42	38.9 Å²	38.9	22%	0.22	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-93.4	3	173.4	-68.3	176.8	0	0	0	112.8	Y244 Q247 T248 R494 E495 Q499	Y244-L497 HydrophobicContact CD2-CD1 3.81Å; Y244-L497 HydrophobicContact CE2-CD1 4.21Å; Q247-L497 HydrophobicContact CB-CD1 4.37Å; Q247-L497 HydrophobicContact CB-CD2 4Å; T248-L497 HydrophobicContact CG2-CD1 4.17Å; T248-L497 HydrophobicContact CG2-CD2 3.5Å; T248-L497 VanDerWaalsContact CG2-CD2 3.5Å; T248-L497 HydrophobicContact CG2-CG 3.98Å; R494-L497 WeakPolarHBondContact O-CB 3.18Å; R494-L497 PolarHBondContact O-N 3.15Å; E495-L497 PolarHBondContact O-N 3.16Å; L497-Q499 HydrophobicContact CB-CB 4.49Å; L497-Q499 HydrophobicContact CB-CG 3.99Å; L497-Q499 PolarHBondContact O-N 3.09Å
498	G	90.2	Very high	92.8	Very high	59 Å²	59	38.4 Å²	38.4	61%	0.608	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	9.4	-169.3	0	0	0	0	0	113.7	E495 I500	E495-G498 PolarHBondContact O-N 3.27Å; G498-I500 PolarHBondContact O-N 3.48Å
499	Q	91.5	Very high	92.9	Very high	34 Å²	34	35.1 Å²	35.1	16%	0.159	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-84.3	94.7	177	-65.9	-177.4	4.2	0	0	109	P490 R494 L497	P490-Q499 HydrophobicContact CB-CB 4.09Å; R494-Q499 CarbonylContact C-O 3.5Å; R494-Q499 HydrophobicContact CB-CB 3.93Å; R494-Q499 PolarHBondContact O-N 3.22Å; L497-Q499 HydrophobicContact CB-CB 4.49Å; L497-Q499 HydrophobicContact CB-CG 3.99Å; L497-Q499 PolarHBondContact O-N 3.09Å
500	I	91.7	Very high	92.9	Very high	87 Å²	87	35.1 Å²	35.1	45%	0.446	20%	0.2	S	C	.	.			trans	-112.8	126.7	-176.2	-57.6	169.7	0	0	0	109.3	P490 E495 G498 D502	P490-I500 WeakPolarHBondContact CG-O 3.43Å; E495-I500 HydrophobicContact CG-CG1 4.3Å; G498-I500 PolarHBondContact O-N 3.48Å; I500-D502 HydrophobicContact CG2-CB 4.32Å; I500-D502 PolarHBondContact O-N 3.36Å
501	Q	94	Very high	92.6	Very high	42 Å²	42	39.9 Å²	39.9	20%	0.196	22%	0.221	C	C	.	.			trans	-73.4	94.9	173.6	-67.6	-174.8	-24.2	0	0	110.4	F489 P490 W530	F489-Q501 HydrophobicContact CE1-CB 4.25Å; F489-Q501 HydrophobicContact CE1-CG 3.7Å; F489-Q501 HydrophobicContact CZ-CB 3.85Å; F489-Q501 HydrophobicContact CZ-CG 3.81Å; P490-Q501 HydrophobicContact CB-CG 3.99Å; P490-Q501 VanDerWaalsContact O-CG 3.29Å; P490-Q501 WeakPolarHBondContact O-CG 3.46Å; P490-Q501 PolarHBondContact O-NE2 3.26Å; Q501-W530 VanDerWaalsContact CB-CD1 3.48Å; Q501-W530 HydrophobicContact CB-CG 4.11Å; Q501-W530 PolarHBondContact O-NE1 2.95Å
502	D	92.8	Very high	92.3	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.283	24%	0.24	S	C	.	.			trans	-133.3	170.5	-177.1	67.7	3.6	0	0	0	113	I500 S505 F506 W530	I500-D502 HydrophobicContact CG2-CB 4.32Å; I500-D502 PolarHBondContact O-N 3.36Å; D502-S505 PolarHBondContact O-N 3.33Å; D502-S505 WeakPolarHBondContact OD1-CB 3.39Å; D502-S505 PolarHBondContact OD1-N 3.39Å; D502-S505 PolarHBondContact OD1-OG 3.29Å; D502-F506 PolarHBondContact O-N 3.44Å; D502-W530 VanDerWaalsContact C-CZ2 3.47Å
503	I	93.2	Very high	91.9	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.159	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-44.4	-179.4	-59.9	174.7	0	0	0	111.4	S505 F506 A507 W530 T536 L537 L602 V606	I503-S505 VanDerWaalsContact C-N 3.35Å; I503-S505 PolarHBondContact O-N 3.31Å; I503-F506 PolarHBondContact O-N 2.94Å; I503-A507 WeakPolarHBondContact O-CB 3.34Å; I503-A507 PolarHBondContact O-N 3.42Å; I503-W530 HydrophobicContact CG1-CH2 4.1Å; I503-W530 HydrophobicContact CG1-CZ2 4.15Å; I503-T536 HydrophobicContact CD1-CG2 3.85Å; I503-L537 HydrophobicContact CD1-CD2 4.1Å; I503-L537 HydrophobicContact CG1-CD2 4.35Å; I503-L602 HydrophobicContact CD1-CD2 4.15Å; I503-L602 HydrophobicContact CG2-CD2 4.47Å; I503-V606 HydrophobicContact CG2-CG2 4.08Å
504	P	92.6	Very high	91.4	Very high	43 Å²	43	43.6 Å²	43.6	28%	0.279	24%	0.243	S	C	.	.	H	α-helix	trans	-55.5	-44.2	174.2	-27.8	34.8	0	0	0	114.1	A507 R508 V606 M610	P504-A507 PolarHBondContact O-N 3.29Å; P504-R508 VanDerWaalsContact C-NH1 3.3Å; P504-R508 WeakPolarHBondContact O-CG 3.14Å; P504-R508 PolarHBondContact O-N 3.21Å; P504-R508 PolarHBondContact O-NH1 3.32Å; P504-V606 HydrophobicContact CB-CG1 4.09Å; P504-V606 HydrophobicContact CG-CG1 3.93Å; P504-M610 HydrophobicContact CB-SD 4.45Å
505	S	92.3	Very high	90.8	Very high	10 Å²	10	47.9 Å²	47.9	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-41	179.5	-56.8	0	0	0	0	112.1	D502 I503 A507 R508 I509	D502-S505 PolarHBondContact O-N 3.33Å; D502-S505 WeakPolarHBondContact OD1-CB 3.39Å; D502-S505 PolarHBondContact OD1-N 3.39Å; D502-S505 PolarHBondContact OD1-OG 3.29Å; I503-S505 VanDerWaalsContact C-N 3.35Å; I503-S505 PolarHBondContact O-N 3.31Å; S505-A507 VanDerWaalsContact C-N 3.35Å; S505-R508 PolarHBondContact OG-NH2 3.33Å; S505-I509 PolarHBondContact O-N 3.41Å
506	F	93.2	Very high	90.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-41.5	170.7	172	-111.6	0	0	0	112.6	F489 D502 I503 I509 L510 I527 W530 L531 W596 V599 A603	F489-F506 HydrophobicContact CD2-CB 4.49Å; F489-F506 HydrophobicContact CE2-CB 4.01Å; D502-F506 PolarHBondContact O-N 3.44Å; I503-F506 PolarHBondContact O-N 2.94Å; F506-I509 HydrophobicContact CD2-CG2 4.42Å; F506-I509 WeakPolarHBondContact O-CG2 3.28Å; F506-I509 PolarHBondContact O-N 3.28Å; F506-L510 HydrophobicContact CE1-CD2 4.1Å; F506-L510 HydrophobicContact CZ-CD2 4.09Å; F506-L510 WeakPolarHBondContact O-CB 3.49Å; F506-L510 PolarHBondContact O-N 3.1Å; F506-I527 HydrophobicContact CD2-CG2 3.96Å; F506-I527 HydrophobicContact CE2-CG2 3.8Å; F506-W530 HydrophobicContact CB-CE3 4.47Å; F506-W530 HydrophobicContact CB-CH2 3.6Å; F506-W530 HydrophobicContact CB-CZ3 3.53Å; F506-W530 HydrophobicContact CD1-CH2 4.18Å; F506-W530 AromaticContact CD1-CZ3 3.95Å; F506-W530 HydrophobicContact CD1-CZ3 3.95Å; F506-W530 AromaticContact CD2-CZ3 3.91Å; F506-W530 HydrophobicContact CD2-CZ3 3.91Å; F506-W530 AromaticContact CG-CH2 3.95Å; F506-W530 HydrophobicContact CG-CH2 3.95Å; F506-W530 AromaticContact CG-CZ3 3.51Å; F506-W530 HydrophobicContact CG-CZ3 3.51Å; F506-L531 HydrophobicContact CE2-CD2 4.34Å; F506-L531 HydrophobicContact CZ-CD2 4.21Å; F506-W596 AromaticContact CZ-CH2 3.73Å; F506-W596 HydrophobicContact CZ-CH2 3.73Å; F506-W596 AromaticContact CZ-CZ3 3.9Å; F506-W596 HydrophobicContact CZ-CZ3 3.9Å; F506-V599 HydrophobicContact CE1-CG1 3.8Å; F506-V599 HydrophobicContact CZ-CG1 4.27Å; F506-A603 HydrophobicContact CE1-CB 4.44Å
507	A	92.9	Very high	90.2	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-38.4	-177.5	0	0	0	0	0	112	I503 P504 S505 L510 H511 A603 V606 V607	I503-A507 WeakPolarHBondContact O-CB 3.34Å; I503-A507 PolarHBondContact O-N 3.42Å; P504-A507 PolarHBondContact O-N 3.29Å; S505-A507 VanDerWaalsContact C-N 3.35Å; A507-L510 PolarHBondContact O-N 2.79Å; A507-H511 VanDerWaalsContact O-CB 3.31Å; A507-H511 WeakPolarHBondContact O-CB 3.31Å; A507-H511 PolarHBondContact O-N 2.99Å; A507-A603 HydrophobicContact CB-CB 3.82Å; A507-A603 WeakPolarHBondContact CB-O 3.44Å; A507-V606 HydrophobicContact CB-CB 4.4Å; A507-V606 HydrophobicContact CB-CG1 4.39Å; A507-V607 HydrophobicContact CB-CG2 3.58Å; A507-V607 WeakPolarHBondContact O-CG2 2.86Å
508	R	91.3	Very high	90.1	Very high	48 Å²	48	48.2 Å²	48.2	18%	0.181	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-49.6	172.9	-73.7	-166.9	-57.8	-74.3	3.8	112.1	D486 F487 P504 S505 H511 K512 M610	D486-R508 PolarHBondContact O-NE 3.39Å; F487-R508 HydrophobicContact CD1-CB 4.21Å; F487-R508 WeakPolarHBondContact CD1-O 3.4Å; P504-R508 VanDerWaalsContact C-NH1 3.3Å; P504-R508 WeakPolarHBondContact O-CG 3.14Å; P504-R508 PolarHBondContact O-N 3.21Å; P504-R508 PolarHBondContact O-NH1 3.32Å; S505-R508 PolarHBondContact OG-NH2 3.33Å; R508-H511 PolarHBondContact O-N 2.94Å; R508-K512 WeakPolarHBondContact O-CB 3.1Å; R508-K512 PolarHBondContact O-N 3.13Å; R508-M610 HydrophobicContact CG-SD 3.76Å
509	I	91.2	Very high	90.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-41.5	-180	-173.4	162.7	0	0	0	111.4	F479 F483 F487 F489 S505 F506 K512 F513 I527	F479-I509 HydrophobicContact CE1-CD1 4Å; F479-I509 HydrophobicContact CZ-CD1 4.41Å; F483-I509 HydrophobicContact CZ-CG1 4.38Å; F487-I509 WeakPolarHBondContact O-CB 3.4Å; F487-I509 WeakPolarHBondContact O-CD1 3.1Å; F487-I509 WeakPolarHBondContact O-CG1 3.19Å; F489-I509 HydrophobicContact CB-CD1 4.07Å; F489-I509 HydrophobicContact CD2-CG2 4.46Å; S505-I509 PolarHBondContact O-N 3.41Å; F506-I509 HydrophobicContact CD2-CG2 4.42Å; F506-I509 WeakPolarHBondContact O-CG2 3.28Å; F506-I509 PolarHBondContact O-N 3.28Å; I509-K512 PolarHBondContact O-N 3.35Å; I509-F513 HydrophobicContact CD1-CD2 4.4Å; I509-F513 HydrophobicContact CD1-CE2 3.8Å; I509-F513 HydrophobicContact CG1-CD2 3.63Å; I509-F513 HydrophobicContact CG1-CE2 3.49Å; I509-F513 VanDerWaalsContact CG1-CE2 3.49Å; I509-F513 WeakPolarHBondContact O-CD2 3.46Å; I509-F513 PolarHBondContact O-N 2.83Å; I509-F513 VanDerWaalsContact O-N 3.1Å; I509-I527 HydrophobicContact CD1-CD1 3.99Å; I509-I527 HydrophobicContact CG2-CD1 4Å
510	L	91.6	Very high	90.1	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-46.4	177.7	-177.1	62.1	0	0	0	111.5	F506 A507 K512 F513 G514 W596 A603	F506-L510 HydrophobicContact CE1-CD2 4.1Å; F506-L510 HydrophobicContact CZ-CD2 4.09Å; F506-L510 WeakPolarHBondContact O-CB 3.49Å; F506-L510 PolarHBondContact O-N 3.1Å; A507-L510 PolarHBondContact O-N 2.79Å; L510-K512 VanDerWaalsContact C-N 3.31Å; L510-K512 PolarHBondContact O-N 2.94Å; L510-F513 PolarHBondContact O-N 2.99Å; L510-G514 PolarHBondContact O-N 2.8Å; L510-W596 HydrophobicContact CD1-CH2 4.08Å; L510-W596 HydrophobicContact CD1-CZ2 3.95Å; L510-W596 HydrophobicContact CD2-CH2 4.16Å; L510-W596 HydrophobicContact CD2-CZ2 4.2Å; L510-A603 HydrophobicContact CD2-CB 3.79Å
511	H	89.6	Confident	90	Very high	114 Å²	114	42 Å²	42	53%	0.528	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-37.4	177	-177.8	-89.8	0	0	0	112.1	A507 R508 G514 V607	A507-H511 VanDerWaalsContact O-CB 3.31Å; A507-H511 WeakPolarHBondContact O-CB 3.31Å; A507-H511 PolarHBondContact O-N 2.99Å; R508-H511 PolarHBondContact O-N 2.94Å; H511-G514 PolarHBondContact O-N 3.25Å; H511-V607 HydrophobicContact CB-CG1 4.41Å; H511-V607 HydrophobicContact CB-CG2 4.17Å
512	K	88.3	Confident	90	Very high	103 Å²	103	40 Å²	40	45%	0.448	21%	0.211	S	C	.	.	H	α-helix	trans	-66.6	-41.6	178.9	-178.9	61.8	177.6	-178	0	113.3	F483 F487 R508 I509 L510	F483-K512 HydrophobicContact CE2-CG 3.88Å; F483-K512 HydrophobicContact CZ-CG 4.08Å; F487-K512 HydrophobicContact CB-CB 4.47Å; F487-K512 HydrophobicContact CB-CG 4.28Å; F487-K512 HydrophobicContact CD1-CB 3.53Å; F487-K512 HydrophobicContact CD1-CD 4.22Å; F487-K512 HydrophobicContact CD1-CG 3.88Å; F487-K512 HydrophobicContact CE1-CB 4.03Å; F487-K512 HydrophobicContact CE1-CD 4.32Å; F487-K512 HydrophobicContact CE1-CG 4.42Å; F487-K512 HydrophobicContact CG-CB 4.18Å; F487-K512 HydrophobicContact CG-CD 4.4Å; F487-K512 HydrophobicContact CG-CG 4.06Å; R508-K512 WeakPolarHBondContact O-CB 3.1Å; R508-K512 PolarHBondContact O-N 3.13Å; I509-K512 PolarHBondContact O-N 3.35Å; L510-K512 VanDerWaalsContact C-N 3.31Å; L510-K512 PolarHBondContact O-N 2.94Å
513	F	87.9	Confident	90	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-74.3	-31	176.2	-80.5	-66.6	0	0	0	112.5	F479 F483 I509 L510 Q517 T520 C521	F479-F513 HydrophobicContact CD1-CE2 4.46Å; F479-F513 AromaticContact CD1-CZ 3.86Å; F479-F513 HydrophobicContact CD1-CZ 3.86Å; F479-F513 AromaticContact CE1-CE2 3.9Å; F479-F513 HydrophobicContact CE1-CE2 3.9Å; F479-F513 AromaticContact CE1-CZ 3.7Å; F479-F513 HydrophobicContact CE1-CZ 3.7Å; F483-F513 HydrophobicContact CE2-CE1 4.22Å; F483-F513 HydrophobicContact CE2-CE2 4.15Å; F483-F513 AromaticContact CE2-CZ 3.84Å; F483-F513 HydrophobicContact CE2-CZ 3.84Å; F483-F513 AromaticContact CZ-CE2 3.9Å; F483-F513 HydrophobicContact CZ-CE2 3.9Å; F483-F513 AromaticContact CZ-CZ 3.99Å; F483-F513 HydrophobicContact CZ-CZ 3.99Å; I509-F513 HydrophobicContact CD1-CD2 4.4Å; I509-F513 HydrophobicContact CD1-CE2 3.8Å; I509-F513 HydrophobicContact CG1-CD2 3.63Å; I509-F513 HydrophobicContact CG1-CE2 3.49Å; I509-F513 VanDerWaalsContact CG1-CE2 3.49Å; I509-F513 WeakPolarHBondContact O-CD2 3.46Å; I509-F513 PolarHBondContact O-N 2.83Å; I509-F513 VanDerWaalsContact O-N 3.1Å; L510-F513 PolarHBondContact O-N 2.99Å; F513-Q517 HydrophobicContact CB-CB 4.07Å; F513-Q517 HydrophobicContact CD1-CB 3.71Å; F513-Q517 HydrophobicContact CG-CB 4.34Å; F513-Q517 WeakPolarHBondContact O-CB 3.39Å; F513-T520 HydrophobicContact CD1-CG2 4.39Å; F513-T520 HydrophobicContact CE1-CG2 3.59Å; F513-T520 HydrophobicContact CZ-CG2 3.76Å; F513-C521 HydrophobicContact CB-CB 4.38Å; F513-C521 HydrophobicContact CD2-CB 3.78Å; F513-C521 HydrophobicContact CE2-CB 4.4Å; F513-C521 HydrophobicContact CG-CB 4.25Å
514	G	85.9	Confident	90.1	Very high	30 Å²	30	36.6 Å²	36.6	31%	0.309	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-172.3	-175.2	0	0	0	0	0	112.9	L510 H511 D516 I518	L510-G514 PolarHBondContact O-N 2.8Å; H511-G514 PolarHBondContact O-N 3.25Å; G514-D516 VanDerWaalsContact C-N 3.32Å; G514-D516 PolarHBondContact O-N 3.08Å; G514-I518 PolarHBondContact O-N 3.47Å
515	V	82.7	Confident	90.2	Very high	92 Å²	92	34.6 Å²	34.6	56%	0.558	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.8	-175.5	-175.7	0	0	0	0	111.9	I518	V515-I518 VanDerWaalsContact O-CG2 3.24Å; V515-I518 WeakPolarHBondContact O-CG2 3.49Å
516	D	84.1	Confident	90.4	Very high	135 Å²	135	35.1 Å²	35.1	72%	0.722	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-36.3	-174.6	-68.4	-34.1	0	0	0	113	G514 K587	G514-D516 VanDerWaalsContact C-N 3.32Å; G514-D516 PolarHBondContact O-N 3.08Å; D516-K587 VanDerWaalsContact O-CE 3.23Å; D516-K587 WeakPolarHBondContact O-CE 3.44Å; D516-K587 PolarHBondContact O-NZ 3.05Å
517	Q	86.6	Confident	90.5	Very high	102 Å²	102	35.1 Å²	35.1	48%	0.477	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	19.8	-179.5	-58.2	-170.7	-32.8	0	0	113.3	F513 H519 T520 C521	F513-Q517 HydrophobicContact CB-CB 4.07Å; F513-Q517 HydrophobicContact CD1-CB 3.71Å; F513-Q517 HydrophobicContact CG-CB 4.34Å; F513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q517-H519 PolarHBondContact O-N 2.82Å; Q517-H519 VanDerWaalsContact O-N 3.11Å; Q517-T520 WeakPolarHBondContact O-CB 3.34Å; Q517-T520 PolarHBondContact O-N 3.16Å; Q517-C521 PolarHBondContact O-N 3.34Å
518	I	88.9	Confident	90.7	Very high	7 Å²	7	35 Å²	35	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-52.8	-34.6	178.7	-169.7	161.6	0	0	0	113.3	G514 V515 T520 C521 L522 K587 A590 W596	G514-I518 PolarHBondContact O-N 3.47Å; V515-I518 VanDerWaalsContact O-CG2 3.24Å; V515-I518 WeakPolarHBondContact O-CG2 3.49Å; I518-T520 VanDerWaalsContact C-N 3.33Å; I518-T520 PolarHBondContact O-N 3.25Å; I518-C521 WeakPolarHBondContact O-CB 3.25Å; I518-C521 PolarHBondContact O-N 3Å; I518-L522 HydrophobicContact CD1-CD1 4.28Å; I518-L522 HydrophobicContact CG1-CD1 3.8Å; I518-L522 HydrophobicContact CG1-CG 4.1Å; I518-L522 WeakPolarHBondContact O-CB 3.48Å; I518-L522 WeakPolarHBondContact O-CG 3.3Å; I518-L522 PolarHBondContact O-N 2.87Å; I518-K587 HydrophobicContact CG2-CG 4.02Å; I518-A590 HydrophobicContact CD1-CB 3.88Å; I518-W596 HydrophobicContact CD1-CZ2 3.61Å; I518-W596 HydrophobicContact CG1-CZ2 4.25Å
519	H	90.6	Very high	90.9	Very high	16 Å²	16	33 Å²	33	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-41	175.8	171.2	-91.6	0	0	0	112.2	Q517 C521 L522 T523 E583 V586	Q517-H519 PolarHBondContact O-N 2.82Å; Q517-H519 VanDerWaalsContact O-N 3.11Å; H519-C521 VanDerWaalsContact C-N 3.33Å; H519-C521 PolarHBondContact O-N 3.43Å; H519-L522 PolarHBondContact O-N 3.02Å; H519-T523 WeakPolarHBondContact O-CB 3.22Å; H519-T523 VanDerWaalsContact O-CG2 3.29Å; H519-T523 WeakPolarHBondContact O-CG2 2.98Å; H519-T523 PolarHBondContact O-N 3.31Å; H519-T523 PolarHBondContact O-OG1 3.03Å; H519-E583 HydrophobicContact CB-CG 3.87Å; H519-E583 VanDerWaalsContact CD2-CA 3.46Å; H519-E583 WeakPolarHBondContact CD2-CA 3.21Å; H519-V586 HydrophobicContact CB-CG1 4.38Å
520	T	90.1	Very high	91.1	Very high	32 Å²	32	34 Å²	34	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.8	-54.3	0	0	0	0	110.9	A477 K478 F513 Q517 I518 T523	A477-T520 HydrophobicContact CB-CG2 4.21Å; A477-T520 WeakPolarHBondContact CB-O 3.19Å; K478-T520 WeakPolarHBondContact O-CG2 3.35Å; F513-T520 HydrophobicContact CD1-CG2 4.39Å; F513-T520 HydrophobicContact CE1-CG2 3.59Å; F513-T520 HydrophobicContact CZ-CG2 3.76Å; Q517-T520 WeakPolarHBondContact O-CB 3.34Å; Q517-T520 PolarHBondContact O-N 3.16Å; I518-T520 VanDerWaalsContact C-N 3.33Å; I518-T520 PolarHBondContact O-N 3.25Å; T520-T523 PolarHBondContact O-OG1 3.42Å
521	C	91.2	Very high	91.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-51.3	174.5	-173.2	0	0	0	0	111.3	F513 Q517 I518 H519 T523 N524	F513-C521 HydrophobicContact CB-CB 4.38Å; F513-C521 HydrophobicContact CD2-CB 3.78Å; F513-C521 HydrophobicContact CE2-CB 4.4Å; F513-C521 HydrophobicContact CG-CB 4.25Å; Q517-C521 PolarHBondContact O-N 3.34Å; I518-C521 WeakPolarHBondContact O-CB 3.25Å; I518-C521 PolarHBondContact O-N 3Å; H519-C521 VanDerWaalsContact C-N 3.33Å; H519-C521 PolarHBondContact O-N 3.43Å; C521-T523 VanDerWaalsContact C-N 3.29Å; C521-T523 PolarHBondContact O-N 3.15Å; C521-N524 WeakPolarHBondContact O-CB 3.04Å; C521-N524 PolarHBondContact O-N 3.41Å
522	L	92.9	Very high	91.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-76.6	-8.5	-175.4	-67.1	-177.3	0	0	0	114.8	I518 H519 L528 L531 L558 I562 V586 W589 W596	I518-L522 HydrophobicContact CD1-CD1 4.28Å; I518-L522 HydrophobicContact CG1-CD1 3.8Å; I518-L522 HydrophobicContact CG1-CG 4.1Å; I518-L522 WeakPolarHBondContact O-CB 3.48Å; I518-L522 WeakPolarHBondContact O-CG 3.3Å; I518-L522 PolarHBondContact O-N 2.87Å; H519-L522 PolarHBondContact O-N 3.02Å; L522-L528 VanDerWaalsContact O-CD2 3.31Å; L522-L528 WeakPolarHBondContact O-CD2 3.49Å; L522-L528 WeakPolarHBondContact O-CG 3.43Å; L522-L531 HydrophobicContact CD2-CD1 4.3Å; L522-L558 HydrophobicContact CB-CD1 4.19Å; L522-L558 HydrophobicContact CB-CD2 4.35Å; L522-L558 HydrophobicContact CD1-CD1 4.03Å; L522-L558 HydrophobicContact CD1-CD2 4.29Å; L522-L558 HydrophobicContact CD2-CD2 4.17Å; L522-I562 VanDerWaalsContact O-CD1 3.3Å; L522-I562 WeakPolarHBondContact O-CD1 3.29Å; L522-V586 HydrophobicContact CB-CG1 4.24Å; L522-V586 HydrophobicContact CD1-CG1 3.98Å; L522-W589 HydrophobicContact CD1-CE3 4.37Å; L522-W589 HydrophobicContact CD1-CZ3 3.91Å; L522-W596 HydrophobicContact CD1-CH2 4.3Å; L522-W596 HydrophobicContact CD1-CZ2 4.31Å; L522-W596 HydrophobicContact CD2-CH2 3.59Å; L522-W596 HydrophobicContact CD2-CZ2 4.37Å; L522-W596 HydrophobicContact CD2-CZ3 3.71Å; L522-W596 HydrophobicContact CG-CH2 4.3Å
523	T	93.2	Very high	91.5	Very high	3 Å²	3	28 Å²	28	2%	0.018	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	5.6	171.3	51.7	0	0	0	0	112.8	M476 A477 H519 T520 C521 F525 I562	M476-T523 WeakPolarHBondContact CB-O 3.29Å; M476-T523 VanDerWaalsContact CE-O 3.22Å; M476-T523 WeakPolarHBondContact CE-O 3.48Å; A477-T523 PolarHBondContact N-O 3.03Å; A477-T523 VanDerWaalsContact N-O 3.14Å; H519-T523 WeakPolarHBondContact O-CB 3.22Å; H519-T523 VanDerWaalsContact O-CG2 3.29Å; H519-T523 WeakPolarHBondContact O-CG2 2.98Å; H519-T523 PolarHBondContact O-N 3.31Å; H519-T523 PolarHBondContact O-OG1 3.03Å; T520-T523 PolarHBondContact O-OG1 3.42Å; C521-T523 VanDerWaalsContact C-N 3.29Å; C521-T523 PolarHBondContact O-N 3.15Å; T523-F525 PolarHBondContact O-N 3.19Å; T523-I562 HydrophobicContact CG2-CD1 4.22Å; T523-I562 HydrophobicContact CG2-CG1 4.06Å; T523-I562 HydrophobicContact CG2-CG2 4.31Å
524	N	94.4	Very high	91.6	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.053	16%	0.158	C	C	.	.			trans	-75	119.1	169.2	-178.2	-15.7	0	0	0	109.4	A477 F479 C521 H526 I527 L528	A477-N524 HydrophobicContact CB-CB 3.94Å; F479-N524 WeakPolarHBondContact CZ-ND2 3.06Å; C521-N524 WeakPolarHBondContact O-CB 3.04Å; C521-N524 PolarHBondContact O-N 3.41Å; N524-H526 VanDerWaalsContact C-N 3.31Å; N524-H526 PolarHBondContact O-N 2.61Å; N524-H526 PolarHBondContact OD1-CD2 2.84Å; N524-H526 PolarHBondContact OD1-N 2.88Å; N524-I527 HydrophobicContact CB-CB 4.14Å; N524-I527 HydrophobicContact CB-CD1 3.9Å; N524-I527 HydrophobicContact CB-CG1 4.02Å; N524-I527 PolarHBondContact O-N 2.89Å; N524-L528 WeakPolarHBondContact O-CG 3.4Å; N524-L528 PolarHBondContact O-N 2.98Å
525	F	96.4	Very high	91.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-41	-178.3	-171.6	-95.4	0	0	0	113.1	L257 V279 Y281 V306 V309 A310 I313 M476 T523 I527 L528 A529	L257-F525 HydrophobicContact CD1-CD1 4.38Å; L257-F525 HydrophobicContact CD1-CE1 3.49Å; L257-F525 VanDerWaalsContact CD1-CE1 3.49Å; L257-F525 HydrophobicContact CD1-CE2 3.91Å; L257-F525 HydrophobicContact CD1-CZ 3.2Å; V279-F525 HydrophobicContact CB-CB 4.4Å; V279-F525 HydrophobicContact CB-CD1 4.49Å; V279-F525 HydrophobicContact CB-CG 4.33Å; V279-F525 HydrophobicContact CG1-CB 3.82Å; V279-F525 HydrophobicContact CG1-CD1 3.55Å; V279-F525 HydrophobicContact CG1-CE1 4.26Å; V279-F525 HydrophobicContact CG1-CG 3.74Å; V279-F525 HydrophobicContact CG2-CB 3.64Å; V279-F525 HydrophobicContact CG2-CD1 4.49Å; V279-F525 HydrophobicContact CG2-CD2 4.2Å; V279-F525 HydrophobicContact CG2-CG 3.85Å; Y281-F525 HydrophobicContact CD2-CE1 4.14Å; V306-F525 HydrophobicContact CG1-CE1 3.81Å; V306-F525 HydrophobicContact CG1-CZ 3.68Å; V309-F525 HydrophobicContact CG1-CD2 4.35Å; V309-F525 HydrophobicContact CG1-CE2 3.86Å; V309-F525 HydrophobicContact CG1-CZ 4.47Å; A310-F525 HydrophobicContact CB-CE2 4.1Å; A310-F525 HydrophobicContact CB-CZ 4.26Å; I313-F525 HydrophobicContact CD1-CD2 3.74Å; I313-F525 HydrophobicContact CD1-CE2 4Å; M476-F525 HydrophobicContact CE-CB 3.53Å; M476-F525 HydrophobicContact CE-CD2 3.86Å; M476-F525 HydrophobicContact CE-CG 4.2Å; T523-F525 PolarHBondContact O-N 3.19Å; F525-I527 VanDerWaalsContact C-N 3.29Å; F525-I527 PolarHBondContact O-N 3.28Å; F525-L528 PolarHBondContact O-N 3.25Å; F525-L528 VanDerWaalsContact O-N 3.16Å; F525-A529 HydrophobicContact CD1-CB 4.36Å; F525-A529 HydrophobicContact CE1-CB 4.14Å; F525-A529 WeakPolarHBondContact O-CB 2.89Å; F525-A529 PolarHBondContact O-N 3.33Å
526	H	96	Very high	91.7	Very high	21 Å²	21	33 Å²	33	10%	0.097	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-37.3	-177.3	-56.7	-72.7	0	0	0	111.1	I280 F489 E492 N524 W530	I280-H526 PolarHBondContact O-CE1 3.07Å; I280-H526 VanDerWaalsContact O-CE1 3.3Å; F489-H526 HydrophobicContact CD1-CB 3.97Å; F489-H526 HydrophobicContact CE1-CB 4.37Å; F489-H526 WeakPolarHBondContact CE1-O 3.41Å; E492-H526 VanDerWaalsContact CD-ND1 3.26Å; E492-H526 WeakPolarHBondContact OE1-CA 3.47Å; E492-H526 WeakPolarHBondContact OE1-CB 3.39Å; E492-H526 IonicContact OE1-CG 2.94Å; E492-H526 IonicContact OE1-ND1 2.79Å; E492-H526 PolarHBondContact OE1-ND1 2.82Å; E492-H526 IonicContact OE2-CE1 2.75Å; E492-H526 IonicContact OE2-ND1 2.83Å; E492-H526 PolarHBondContact OE2-ND1 3.29Å; N524-H526 VanDerWaalsContact C-N 3.31Å; N524-H526 PolarHBondContact O-N 2.61Å; N524-H526 PolarHBondContact OD1-CD2 2.84Å; N524-H526 PolarHBondContact OD1-N 2.88Å; H526-W530 WeakPolarHBondContact O-CB 3.26Å; H526-W530 PolarHBondContact O-N 2.8Å; H526-W530 VanDerWaalsContact O-N 3.08Å
527	I	95.5	Very high	91.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-47.5	172.3	-66.4	178.6	0	0	0	110	F489 F506 I509 N524 F525 A529 W530 L531	F489-I527 HydrophobicContact CB-CD1 4.01Å; F489-I527 HydrophobicContact CB-CG1 3.79Å; F489-I527 HydrophobicContact CD1-CB 4.45Å; F489-I527 HydrophobicContact CD1-CG1 3.52Å; F489-I527 HydrophobicContact CD2-CD1 4.41Å; F489-I527 HydrophobicContact CD2-CG1 3.89Å; F489-I527 HydrophobicContact CE1-CG1 4Å; F489-I527 HydrophobicContact CE2-CG1 4.36Å; F489-I527 HydrophobicContact CG-CD1 4.11Å; F489-I527 HydrophobicContact CG-CG1 3.44Å; F489-I527 VanDerWaalsContact CG-CG1 3.44Å; F489-I527 HydrophobicContact CZ-CG1 4.4Å; F506-I527 HydrophobicContact CD2-CG2 3.96Å; F506-I527 HydrophobicContact CE2-CG2 3.8Å; I509-I527 HydrophobicContact CD1-CD1 3.99Å; I509-I527 HydrophobicContact CG2-CD1 4Å; N524-I527 HydrophobicContact CB-CB 4.14Å; N524-I527 HydrophobicContact CB-CD1 3.9Å; N524-I527 HydrophobicContact CB-CG1 4.02Å; N524-I527 PolarHBondContact O-N 2.89Å; F525-I527 VanDerWaalsContact C-N 3.29Å; F525-I527 PolarHBondContact O-N 3.28Å; I527-A529 PolarHBondContact O-N 3.47Å; I527-W530 PolarHBondContact O-N 3.31Å; I527-L531 HydrophobicContact CG2-CD1 3.68Å; I527-L531 HydrophobicContact CG2-CG 3.93Å; I527-L531 WeakPolarHBondContact O-CB 3.27Å; I527-L531 VanDerWaalsContact O-CG 3.25Å; I527-L531 WeakPolarHBondContact O-CG 3.43Å; I527-L531 PolarHBondContact O-N 2.78Å
528	L	95.9	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-46.9	179.5	-70.3	172	0	0	0	112.2	V309 M476 L522 N524 F525 W530 L531 V532 L558 L559 I562	V309-L528 HydrophobicContact CG1-CB 4.09Å; M476-L528 HydrophobicContact CE-CD1 4.31Å; L522-L528 VanDerWaalsContact O-CD2 3.31Å; L522-L528 WeakPolarHBondContact O-CD2 3.49Å; L522-L528 WeakPolarHBondContact O-CG 3.43Å; N524-L528 WeakPolarHBondContact O-CG 3.4Å; N524-L528 PolarHBondContact O-N 2.98Å; F525-L528 PolarHBondContact O-N 3.25Å; F525-L528 VanDerWaalsContact O-N 3.16Å; L528-W530 VanDerWaalsContact C-N 3.27Å; L528-W530 PolarHBondContact O-N 3.12Å; L528-L531 PolarHBondContact O-N 3.33Å; L528-V532 WeakPolarHBondContact O-CG1 3.28Å; L528-V532 WeakPolarHBondContact O-CG2 3.43Å; L528-V532 PolarHBondContact O-N 2.69Å; L528-V532 VanDerWaalsContact O-N 3.13Å; L528-L558 HydrophobicContact CD2-CD2 3.77Å; L528-L558 HydrophobicContact CD2-CG 4.38Å; L528-L559 HydrophobicContact CD1-CD2 4.39Å; L528-L559 HydrophobicContact CD2-CD2 4.24Å; L528-I562 HydrophobicContact CD1-CD1 3.81Å; L528-I562 HydrophobicContact CD2-CD1 4.14Å
529	A	95.4	Very high	91.9	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-36.8	178	0	0	0	0	0	111.9	V306 F525 I527 V532	V306-A529 HydrophobicContact CG2-CB 4.31Å; F525-A529 HydrophobicContact CD1-CB 4.36Å; F525-A529 HydrophobicContact CE1-CB 4.14Å; F525-A529 WeakPolarHBondContact O-CB 2.89Å; F525-A529 PolarHBondContact O-N 3.33Å; I527-A529 PolarHBondContact O-N 3.47Å; A529-V532 WeakPolarHBondContact O-CG2 3.46Å
530	W	95.4	Very high	91.7	Very high	22 Å²	22	27.6 Å²	27.6	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-73.4	-47.9	174.4	173.7	79	0	0	0	112.9	F489 Q501 D502 I503 F506 H526 I527 L528 V532 N533 N534 L537	F489-W530 HydrophobicContact CE1-CB 4.02Å; F489-W530 HydrophobicContact CE1-CG 4.36Å; F489-W530 HydrophobicContact CE2-CD2 4.4Å; F489-W530 HydrophobicContact CE2-CE3 4.26Å; F489-W530 HydrophobicContact CZ-CB 3.89Å; F489-W530 AromaticContact CZ-CD2 3.72Å; F489-W530 HydrophobicContact CZ-CD2 3.72Å; F489-W530 AromaticContact CZ-CE3 3.85Å; F489-W530 HydrophobicContact CZ-CE3 3.85Å; F489-W530 AromaticContact CZ-CG 3.76Å; F489-W530 HydrophobicContact CZ-CG 3.76Å; Q501-W530 VanDerWaalsContact CB-CD1 3.48Å; Q501-W530 HydrophobicContact CB-CG 4.11Å; Q501-W530 PolarHBondContact O-NE1 2.95Å; D502-W530 VanDerWaalsContact C-CZ2 3.47Å; I503-W530 HydrophobicContact CG1-CH2 4.1Å; I503-W530 HydrophobicContact CG1-CZ2 4.15Å; F506-W530 HydrophobicContact CB-CE3 4.47Å; F506-W530 HydrophobicContact CB-CH2 3.6Å; F506-W530 HydrophobicContact CB-CZ3 3.53Å; F506-W530 HydrophobicContact CD1-CH2 4.18Å; F506-W530 AromaticContact CD1-CZ3 3.95Å; F506-W530 HydrophobicContact CD1-CZ3 3.95Å; F506-W530 AromaticContact CD2-CZ3 3.91Å; F506-W530 HydrophobicContact CD2-CZ3 3.91Å; F506-W530 AromaticContact CG-CH2 3.95Å; F506-W530 HydrophobicContact CG-CH2 3.95Å; F506-W530 AromaticContact CG-CZ3 3.51Å; F506-W530 HydrophobicContact CG-CZ3 3.51Å; H526-W530 WeakPolarHBondContact O-CB 3.26Å; H526-W530 PolarHBondContact O-N 2.8Å; H526-W530 VanDerWaalsContact O-N 3.08Å; I527-W530 PolarHBondContact O-N 3.31Å; L528-W530 VanDerWaalsContact C-N 3.27Å; L528-W530 PolarHBondContact O-N 3.12Å; W530-V532 VanDerWaalsContact C-N 3.29Å; W530-V532 PolarHBondContact O-N 2.74Å; W530-N533 CarbonylContact O-C 3.49Å; W530-N533 PolarHBondContact O-N 2.83Å; W530-N533 VanDerWaalsContact O-N 3.14Å; W530-N534 VanDerWaalsContact CE2-ND2 3.34Å; W530-N534 WeakPolarHBondContact CZ2-ND2 3.46Å; W530-N534 WeakPolarHBondContact O-CB 3.48Å; W530-N534 PolarHBondContact O-N 3.3Å; W530-N534 VanDerWaalsContact O-N 3.1Å; W530-L537 HydrophobicContact CH2-CD1 3.59Å; W530-L537 HydrophobicContact CZ2-CD1 4.45Å; W530-L537 HydrophobicContact CZ3-CD1 3.65Å
531	L	94.9	Very high	91.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.1	-43.1	-178.3	-76.6	176.7	0	0	0	111.9	F506 L522 I527 L528 N533 N534 L537 L539	F506-L531 HydrophobicContact CE2-CD2 4.34Å; F506-L531 HydrophobicContact CZ-CD2 4.21Å; L522-L531 HydrophobicContact CD2-CD1 4.3Å; I527-L531 HydrophobicContact CG2-CD1 3.68Å; I527-L531 HydrophobicContact CG2-CG 3.93Å; I527-L531 WeakPolarHBondContact O-CB 3.27Å; I527-L531 VanDerWaalsContact O-CG 3.25Å; I527-L531 WeakPolarHBondContact O-CG 3.43Å; I527-L531 PolarHBondContact O-N 2.78Å; L528-L531 PolarHBondContact O-N 3.33Å; L531-N533 PolarHBondContact O-N 3.18Å; L531-N534 PolarHBondContact O-N 3.44Å; L531-L537 HydrophobicContact CD2-CD1 3.47Å; L531-L537 VanDerWaalsContact CD2-CD1 3.47Å; L531-L539 HydrophobicContact CD2-CD1 4.18Å
532	V	92.7	Very high	91.6	Very high	5 Å²	5	29 Å²	29	3%	0.03	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.1	-176	-61.8	0	0	0	0	114	H305 V309 L528 A529 W530 L539 L541 I555	H305-V532 HydrophobicContact CB-CG2 3.94Å; V309-V532 HydrophobicContact CG2-CB 4.19Å; V309-V532 HydrophobicContact CG2-CG1 3.56Å; V309-V532 HydrophobicContact CG2-CG2 3.77Å; L528-V532 WeakPolarHBondContact O-CG1 3.28Å; L528-V532 WeakPolarHBondContact O-CG2 3.43Å; L528-V532 PolarHBondContact O-N 2.69Å; L528-V532 VanDerWaalsContact O-N 3.13Å; A529-V532 WeakPolarHBondContact O-CG2 3.46Å; W530-V532 VanDerWaalsContact C-N 3.29Å; W530-V532 PolarHBondContact O-N 2.74Å; V532-L539 WeakPolarHBondContact CA-O 3.46Å; V532-L541 HydrophobicContact CB-CB 3.89Å; V532-L541 HydrophobicContact CB-CD2 4.49Å; V532-L541 HydrophobicContact CG1-CB 4.3Å; V532-L541 PolarHBondContact O-N 3.35Å; V532-I555 HydrophobicContact CG1-CD1 4.06Å; V532-I555 HydrophobicContact CG1-CG1 3.47Å; V532-I555 VanDerWaalsContact CG1-CG1 3.47Å
533	N	90	Very high	91.3	Very high	95 Å²	95	31.8 Å²	31.8	51%	0.508	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	4.6	-177.1	-165.1	73.7	0	0	0	111.9	H305 W530 L531	H305-N533 VanDerWaalsContact CE1-CG 3.42Å; H305-N533 PolarHBondContact CE1-OD1 3.13Å; H305-N533 VanDerWaalsContact CE1-OD1 3.26Å; H305-N533 PolarHBondContact ND1-OD1 3.26Å; W530-N533 CarbonylContact O-C 3.49Å; W530-N533 PolarHBondContact O-N 2.83Å; W530-N533 VanDerWaalsContact O-N 3.14Å; L531-N533 PolarHBondContact O-N 3.18Å
534	N	90.4	Very high	90.9	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.118	22%	0.215	C	C	.	.			trans	-92.2	108.9	179	-168.8	-58.7	0	0	0	110.8	W530 L531 T536 L537	W530-N534 VanDerWaalsContact CE2-ND2 3.34Å; W530-N534 WeakPolarHBondContact CZ2-ND2 3.46Å; W530-N534 WeakPolarHBondContact O-CB 3.48Å; W530-N534 PolarHBondContact O-N 3.3Å; W530-N534 VanDerWaalsContact O-N 3.1Å; L531-N534 PolarHBondContact O-N 3.44Å; N534-T536 VanDerWaalsContact C-N 3.27Å; N534-T536 PolarHBondContact O-N 2.48Å; N534-T536 VanDerWaalsContact OD1-CB 3.28Å; N534-T536 WeakPolarHBondContact OD1-CB 3.34Å; N534-T536 PolarHBondContact OD1-N 3.11Å; N534-L537 HydrophobicContact CB-CD1 4.33Å; N534-L537 HydrophobicContact CB-CG 4.4Å; N534-L537 PolarHBondContact O-N 2.81Å; N534-L537 PolarHBondContact OD1-N 3.19Å
535	D	85.1	Confident	90.5	Very high	117 Å²	117	43.6 Å²	43.6	63%	0.626	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-64.9	-29.4	-178	-64.6	-21.5	0	0	0	113.4	Q540	D535-Q540 PolarHBondContact OD1-NE2 3.11Å
536	T	87.1	Confident	89.9	Confident	99 Å²	99	46 Å²	46	61%	0.607	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.1	-33	-177.2	-49.5	0	0	0	0	112.2	I503 N534	I503-T536 HydrophobicContact CD1-CG2 3.85Å; N534-T536 VanDerWaalsContact C-N 3.27Å; N534-T536 PolarHBondContact O-N 2.48Å; N534-T536 VanDerWaalsContact OD1-CB 3.28Å; N534-T536 WeakPolarHBondContact OD1-CB 3.34Å; N534-T536 PolarHBondContact OD1-N 3.11Å
537	L	88	Confident	89.5	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-87.2	-2.8	-173.3	-62.4	-178.2	0	0	0	114	I503 W530 L531 N534 L539 V599 L602	I503-L537 HydrophobicContact CD1-CD2 4.1Å; I503-L537 HydrophobicContact CG1-CD2 4.35Å; W530-L537 HydrophobicContact CH2-CD1 3.59Å; W530-L537 HydrophobicContact CZ2-CD1 4.45Å; W530-L537 HydrophobicContact CZ3-CD1 3.65Å; L531-L537 HydrophobicContact CD2-CD1 3.47Å; L531-L537 VanDerWaalsContact CD2-CD1 3.47Å; N534-L537 HydrophobicContact CB-CD1 4.33Å; N534-L537 HydrophobicContact CB-CG 4.4Å; N534-L537 PolarHBondContact O-N 2.81Å; N534-L537 PolarHBondContact OD1-N 3.19Å; L537-L539 PolarHBondContact O-N 2.94Å; L537-V599 HydrophobicContact CB-CG2 3.92Å; L537-V599 HydrophobicContact CD1-CG1 4.41Å; L537-V599 HydrophobicContact CD2-CG1 4.2Å; L537-V599 HydrophobicContact CD2-CG2 4.15Å; L537-V599 VanDerWaalsContact O-CG2 3.31Å; L537-V599 WeakPolarHBondContact O-CG2 3.49Å; L537-L602 HydrophobicContact CD2-CD2 3.64Å
538	S	85.4	Confident	89.1	Confident	79 Å²	79	53.3 Å²	53.3	55%	0.552	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	18.1	-179.2	-56.7	0	0	0	0	114.9	Q540	S538-Q540 VanDerWaalsContact C-N 3.29Å; S538-Q540 PolarHBondContact O-N 2.83Å
539	L	89	Confident	88.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.314	C	S	.	.			trans	-96.5	32.3	175.1	-74.1	171.8	0	0	0	111.6	L531 V532 L537 L541 I555 W589 I595 W596 V599	L531-L539 HydrophobicContact CD2-CD1 4.18Å; V532-L539 WeakPolarHBondContact CA-O 3.46Å; L537-L539 PolarHBondContact O-N 2.94Å; L539-L541 PolarHBondContact O-N 3.5Å; L539-I555 HydrophobicContact CB-CB 4.39Å; L539-I555 HydrophobicContact CD2-CB 4.32Å; L539-I555 WeakPolarHBondContact O-CB 3.41Å; L539-I555 WeakPolarHBondContact O-CG2 3.02Å; L539-W589 HydrophobicContact CD2-CH2 4.43Å; L539-W589 HydrophobicContact CD2-CZ2 4.29Å; L539-I595 HydrophobicContact CD2-CB 4.33Å; L539-I595 HydrophobicContact CD2-CG2 3.6Å; L539-I595 HydrophobicContact CG-CG2 3.88Å; L539-W596 HydrophobicContact CD1-CE3 4.33Å; L539-V599 HydrophobicContact CD1-CG2 3.94Å; L539-V599 HydrophobicContact CG-CG2 4.31Å
540	Q	87.3	Confident	88.3	Confident	63 Å²	63	63.5 Å²	63.5	29%	0.294	35%	0.35	S	S	.	.			trans	-64.8	132.1	-178.3	-68.6	174.7	-18.1	0	0	111.2	D535 S538 F542	D535-Q540 PolarHBondContact OD1-NE2 3.11Å; S538-Q540 VanDerWaalsContact C-N 3.29Å; S538-Q540 PolarHBondContact O-N 2.83Å; Q540-F542 WeakPolarHBondContact CB-O 3.32Å
541	L	89.4	Confident	88.1	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-73.8	-32.4	176	-176.9	63.8	0	0	0	112.4	H305 E308 V309 V532 L539 L548 N549 I555 I556 L559	H305-L541 HydrophobicContact CB-CD2 4.33Å; E308-L541 HydrophobicContact CB-CD2 3.7Å; E308-L541 HydrophobicContact CG-CD1 4.4Å; E308-L541 HydrophobicContact CG-CD2 3.59Å; E308-L541 HydrophobicContact CG-CG 4.25Å; V309-L541 HydrophobicContact CG2-CD2 4.16Å; V532-L541 HydrophobicContact CB-CB 3.89Å; V532-L541 HydrophobicContact CB-CD2 4.49Å; V532-L541 HydrophobicContact CG1-CB 4.3Å; V532-L541 PolarHBondContact O-N 3.35Å; L539-L541 PolarHBondContact O-N 3.5Å; L541-L548 HydrophobicContact CD1-CD2 4.17Å; L541-L548 HydrophobicContact CG-CD2 4.05Å; L541-L548 WeakPolarHBondContact O-CA 3.46Å; L541-N549 PolarHBondContact O-N 3.42Å; L541-I555 HydrophobicContact CB-CG2 4.32Å; L541-I555 HydrophobicContact CD1-CG2 4.09Å; L541-I556 HydrophobicContact CD1-CD1 4.46Å; L541-I556 HydrophobicContact CD1-CG1 3.98Å; L541-L559 HydrophobicContact CD1-CD1 4.04Å
542	F	89.7	Confident	87.9	Confident	60 Å²	60	69 Å²	69	26%	0.263	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-111.8	138.6	176.4	-57.3	-75.2	0	0	0	110.3	H305 E308 Q540 G546 K547 L548	H305-F542 HydrophobicContact CB-CD2 4.45Å; H305-F542 HydrophobicContact CB-CE2 3.91Å; E308-F542 HydrophobicContact CB-CZ 4.32Å; Q540-F542 WeakPolarHBondContact CB-O 3.32Å; F542-G546 WeakPolarHBondContact CD1-O 3.39Å; F542-K547 CarbonylContact C-O 3.59Å; F542-K547 WeakPolarHBondContact CA-O 3.31Å; F542-L548 HydrophobicContact CD1-CD2 3.97Å; F542-L548 HydrophobicContact CD1-CG 4.36Å; F542-L548 HydrophobicContact CE1-CD2 3.51Å; F542-L548 HydrophobicContact CE1-CG 4.07Å; F542-L548 HydrophobicContact CZ-CD2 4.2Å
543	N	86.2	Confident	87.8	Confident	59 Å²	59	74.2 Å²	74.2	32%	0.316	41%	0.405	S	S	.	.			trans	-74.1	177.4	170	71	9.2	0	0	0	111.2	E545 G546 K547	N543-E545 PolarHBondContact O-N 3.42Å; N543-E545 VanDerWaalsContact O-N 3.08Å; N543-E545 WeakPolarHBondContact OD1-CA 3.21Å; N543-E545 WeakPolarHBondContact OD1-CB 3.31Å; N543-E545 PolarHBondContact OD1-N 3.48Å; N543-G546 PolarHBondContact O-N 3.27Å; N543-G546 PolarHBondContact OD1-N 3.45Å; N543-K547 PolarHBondContact N-O 3.16Å; N543-K547 WeakPolarHBondContact OD1-CB 3.3Å; N543-K547 PolarHBondContact OD1-N 2.85Å; N543-K547 PolarHBondContact OD1-O 3.14Å
544	S	84	Confident	88	Confident	129 Å²	129	69.7 Å²	69.7	90%	0.902	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.7	178.4	52.6	0	0	0	0	114.8	G546	S544-G546 VanDerWaalsContact C-N 3.33Å
545	E	86.1	Confident	88.1	Confident	133 Å²	133	68.7 Å²	68.7	62%	0.621	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.7	174.4	-55.8	-178.4	171.7	0	0	113	N543 K547	N543-E545 PolarHBondContact O-N 3.42Å; N543-E545 VanDerWaalsContact O-N 3.08Å; N543-E545 WeakPolarHBondContact OD1-CA 3.21Å; N543-E545 WeakPolarHBondContact OD1-CB 3.31Å; N543-E545 PolarHBondContact OD1-N 3.48Å; E545-K547 VanDerWaalsContact C-N 3.28Å; E545-K547 HydrophobicContact CB-CD 4.49Å; E545-K547 HydrophobicContact CB-CG 4.35Å; E545-K547 PolarHBondContact O-N 2.98Å; E545-K547 VanDerWaalsContact OE2-CE 3.29Å; E545-K547 WeakPolarHBondContact OE2-CE 3.43Å; E545-K547 IonicContact OE2-NZ 3.48Å; E545-K547 PolarHBondContact OE2-NZ 3.37Å
546	G	84.1	Confident	88.5	Confident	51 Å²	51	63.7 Å²	63.7	53%	0.526	35%	0.349	S	S	.	.	S	Bend	trans	74.4	13.8	-174.8	0	0	0	0	0	114.3	F542 N543 S544	F542-G546 WeakPolarHBondContact CD1-O 3.39Å; N543-G546 PolarHBondContact O-N 3.27Å; N543-G546 PolarHBondContact OD1-N 3.45Å; S544-G546 VanDerWaalsContact C-N 3.33Å
547	K	87.6	Confident	88.8	Confident	119 Å²	119	59.5 Å²	59.5	52%	0.517	33%	0.326	S	S	.	.			trans	-92.2	153.5	175.3	-61.9	176.3	-178.5	156.1	0	110.5	F542 N543 E545	F542-K547 CarbonylContact C-O 3.59Å; F542-K547 WeakPolarHBondContact CA-O 3.31Å; N543-K547 PolarHBondContact N-O 3.16Å; N543-K547 WeakPolarHBondContact OD1-CB 3.3Å; N543-K547 PolarHBondContact OD1-N 2.85Å; N543-K547 PolarHBondContact OD1-O 3.14Å; E545-K547 VanDerWaalsContact C-N 3.28Å; E545-K547 HydrophobicContact CB-CD 4.49Å; E545-K547 HydrophobicContact CB-CG 4.35Å; E545-K547 PolarHBondContact O-N 2.98Å; E545-K547 VanDerWaalsContact OE2-CE 3.29Å; E545-K547 WeakPolarHBondContact OE2-CE 3.43Å; E545-K547 IonicContact OE2-NZ 3.48Å; E545-K547 PolarHBondContact OE2-NZ 3.37Å
548	L	88.1	Confident	89.2	Confident	56 Å²	56	59.3 Å²	59.3	29%	0.293	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-61	137	177	-69.3	164.2	0	0	0	111.5	E308 R312 L541 F542 E550 I556	E308-L548 HydrophobicContact CG-CD2 3.82Å; R312-L548 VanDerWaalsContact NH2-CD1 3.34Å; L541-L548 HydrophobicContact CD1-CD2 4.17Å; L541-L548 HydrophobicContact CG-CD2 4.05Å; L541-L548 WeakPolarHBondContact O-CA 3.46Å; F542-L548 HydrophobicContact CD1-CD2 3.97Å; F542-L548 HydrophobicContact CD1-CG 4.36Å; F542-L548 HydrophobicContact CE1-CD2 3.51Å; F542-L548 HydrophobicContact CE1-CG 4.07Å; F542-L548 HydrophobicContact CZ-CD2 4.2Å; L548-E550 PolarHBondContact O-N 3.3Å; L548-I556 HydrophobicContact CB-CD1 4.26Å
549	N	87.3	Confident	89.7	Confident	52 Å²	52	55.5 Å²	55.5	28%	0.278	30%	0.298	S	S	.	.			trans	-82.3	97.3	174.1	-175.5	-0.9	0	0	0	110.5	L541 D551 I556	L541-N549 PolarHBondContact O-N 3.42Å; N549-D551 PolarHBondContact O-N 2.87Å; N549-D551 VanDerWaalsContact O-N 3.1Å; N549-D551 PolarHBondContact OD1-N 3.22Å; N549-I556 WeakPolarHBondContact O-CD1 3.49Å; N549-I556 WeakPolarHBondContact O-CG1 3.34Å
550	E	87	Confident	89.9	Confident	166 Å²	166	59.3 Å²	59.3	78%	0.776	32%	0.318	S	S	*	.			trans	-75.1	11.7	-174	-62.5	-176.3	169.2	0	0	115.3	L548 P552	L548-E550 PolarHBondContact O-N 3.3Å; E550-P552 VanDerWaalsContact O-CD 3.27Å; E550-P552 WeakPolarHBondContact O-CD 3.15Å
551	D	90.1	Very high	90.2	Very high	53 Å²	53	56.7 Å²	56.7	28%	0.283	31%	0.307	S	S	.	.			trans	-66.5	116.5	178	-177.2	8.7	0	0	0	111.7	N549 Y553 G554	N549-D551 PolarHBondContact O-N 2.87Å; N549-D551 VanDerWaalsContact O-N 3.1Å; N549-D551 PolarHBondContact OD1-N 3.22Å; D551-Y553 PolarHBondContact O-N 3.3Å; D551-Y553 PolarHBondContact OD1-N 3.27Å; D551-G554 PolarHBondContact O-N 2.95Å; D551-G554 PolarHBondContact OD2-N 2.71Å
552	P	90.6	Very high	90.4	Very high	84 Å²	84	57 Å²	57	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17	176.4	29.8	-37	0	0	0	113.4	E550 G557	E550-P552 VanDerWaalsContact O-CD 3.27Å; E550-P552 WeakPolarHBondContact O-CD 3.15Å; P552-G557 VanDerWaalsContact O-CA 3.28Å; P552-G557 WeakPolarHBondContact O-CA 3.35Å
553	Y	92.4	Very high	90.5	Very high	115 Å²	115	54.9 Å²	54.9	45%	0.451	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-8.5	171.7	-58.2	-73.9	0	0	0	112.3	D551 W589 E592 S593	D551-Y553 PolarHBondContact O-N 3.3Å; D551-Y553 PolarHBondContact OD1-N 3.27Å; Y553-W589 PolarHBondContact O-NE1 3.36Å; Y553-E592 HydrophobicContact CD1-CB 4.15Å; Y553-E592 HydrophobicContact CE1-CB 4.05Å; Y553-S593 WeakPolarHBondContact O-CB 3.35Å; Y553-S593 PolarHBondContact O-OG 2.93Å
554	G	92.6	Very high	90.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.01	31%	0.306	C	S	.	.	S	Bend	trans	-87.9	-162.2	173.7	0	0	0	0	0	113.1	D551 I556 G557 W589	D551-G554 PolarHBondContact O-N 2.95Å; D551-G554 PolarHBondContact OD2-N 2.71Å; G554-I556 VanDerWaalsContact C-N 3.26Å; G554-I556 PolarHBondContact O-N 3.2Å; G554-G557 PolarHBondContact O-N 3.44Å; G554-G557 VanDerWaalsContact O-N 3.16Å; G554-W589 WeakPolarHBondContact O-CZ2 3.22Å; G554-W589 PolarHBondContact O-NE1 2.86Å
555	I	93.3	Very high	90.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-30.5	-176.1	-167.8	57.7	0	0	0	113.5	V532 L539 L541 G557 L558 L559	V532-I555 HydrophobicContact CG1-CD1 4.06Å; V532-I555 HydrophobicContact CG1-CG1 3.47Å; V532-I555 VanDerWaalsContact CG1-CG1 3.47Å; L539-I555 HydrophobicContact CB-CB 4.39Å; L539-I555 HydrophobicContact CD2-CB 4.32Å; L539-I555 WeakPolarHBondContact O-CB 3.41Å; L539-I555 WeakPolarHBondContact O-CG2 3.02Å; L541-I555 HydrophobicContact CB-CG2 4.32Å; L541-I555 HydrophobicContact CD1-CG2 4.09Å; I555-G557 VanDerWaalsContact C-N 3.33Å; I555-G557 PolarHBondContact O-N 3.3Å; I555-L558 HydrophobicContact CD1-CB 4.42Å; I555-L558 HydrophobicContact CD1-CD2 3.97Å; I555-L558 WeakPolarHBondContact O-CB 3.32Å; I555-L558 PolarHBondContact O-N 2.88Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 2.84Å
556	I	93.1	Very high	89.7	Confident	12 Å²	12	46.5 Å²	46.5	6%	0.062	25%	0.25	C	S	.	.	H	α-helix	trans	-63.1	-40.7	177.4	-71.7	-167.4	0	0	0	111.1	L541 L548 N549 G554 L558 L559 D560	L541-I556 HydrophobicContact CD1-CD1 4.46Å; L541-I556 HydrophobicContact CD1-CG1 3.98Å; L548-I556 HydrophobicContact CB-CD1 4.26Å; N549-I556 WeakPolarHBondContact O-CD1 3.49Å; N549-I556 WeakPolarHBondContact O-CG1 3.34Å; G554-I556 VanDerWaalsContact C-N 3.26Å; G554-I556 PolarHBondContact O-N 3.2Å; I556-L558 VanDerWaalsContact C-N 3.29Å; I556-L558 PolarHBondContact O-N 3.26Å; I556-L559 PolarHBondContact O-N 3.03Å; I556-D560 WeakPolarHBondContact O-CB 3.48Å; I556-D560 PolarHBondContact O-N 2.82Å
557	G	94.5	Very high	88.8	Confident	11 Å²	11	48 Å²	48	11%	0.113	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-37.6	175.2	0	0	0	0	0	113.5	P552 G554 I555 A561	P552-G557 VanDerWaalsContact O-CA 3.28Å; P552-G557 WeakPolarHBondContact O-CA 3.35Å; G554-G557 PolarHBondContact O-N 3.44Å; G554-G557 VanDerWaalsContact O-N 3.16Å; I555-G557 VanDerWaalsContact C-N 3.33Å; I555-G557 PolarHBondContact O-N 3.3Å; G557-A561 VanDerWaalsContact O-CB 3.3Å; G557-A561 WeakPolarHBondContact O-CB 3.44Å; G557-A561 PolarHBondContact O-N 3.38Å
558	L	95.5	Very high	87.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-48.9	174.1	176.4	58.8	0	0	0	111.1	L522 L528 I555 I556 D560 A561 I562 V586 W589	L522-L558 HydrophobicContact CB-CD1 4.19Å; L522-L558 HydrophobicContact CB-CD2 4.35Å; L522-L558 HydrophobicContact CD1-CD1 4.03Å; L522-L558 HydrophobicContact CD1-CD2 4.29Å; L522-L558 HydrophobicContact CD2-CD2 4.17Å; L528-L558 HydrophobicContact CD2-CD2 3.77Å; L528-L558 HydrophobicContact CD2-CG 4.38Å; I555-L558 HydrophobicContact CD1-CB 4.42Å; I555-L558 HydrophobicContact CD1-CD2 3.97Å; I555-L558 WeakPolarHBondContact O-CB 3.32Å; I555-L558 PolarHBondContact O-N 2.88Å; I556-L558 VanDerWaalsContact C-N 3.29Å; I556-L558 PolarHBondContact O-N 3.26Å; L558-D560 VanDerWaalsContact C-N 3.33Å; L558-D560 PolarHBondContact O-N 2.99Å; L558-A561 WeakPolarHBondContact O-CB 3.48Å; L558-A561 PolarHBondContact O-N 2.97Å; L558-I562 HydrophobicContact CD1-CD1 3.98Å; L558-I562 HydrophobicContact CD1-CG1 4.26Å; L558-I562 HydrophobicContact CG-CD1 4Å; L558-I562 WeakPolarHBondContact O-CG1 3.3Å; L558-I562 PolarHBondContact O-N 3.21Å; L558-V586 HydrophobicContact CD1-CB 4.45Å; L558-V586 HydrophobicContact CD1-CG1 3.84Å; L558-V586 HydrophobicContact CD1-CG2 4.04Å; L558-W589 HydrophobicContact CB-CD2 3.78Å; L558-W589 HydrophobicContact CB-CE3 3.98Å; L558-W589 HydrophobicContact CB-CG 4.43Å; L558-W589 HydrophobicContact CB-CH2 3.95Å; L558-W589 HydrophobicContact CB-CZ2 3.74Å; L558-W589 HydrophobicContact CB-CZ3 4.06Å; L558-W589 HydrophobicContact CD1-CD2 4.27Å; L558-W589 HydrophobicContact CD1-CE3 3.77Å; L558-W589 HydrophobicContact CD1-CZ3 4Å; L558-W589 HydrophobicContact CD2-CE3 4.45Å; L558-W589 HydrophobicContact CD2-CH2 3.92Å; L558-W589 HydrophobicContact CD2-CZ3 3.89Å; L558-W589 HydrophobicContact CG-CE3 4.27Å; L558-W589 HydrophobicContact CG-CH2 4.39Å; L558-W589 HydrophobicContact CG-CZ3 4.2Å
559	L	95.3	Very high	85.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-42	-179.9	-64.3	176.6	0	0	0	111.4	V309 R312 I313 L528 L541 I555 I556 I562 A563	V309-L559 HydrophobicContact CG1-CD2 4.01Å; V309-L559 HydrophobicContact CG2-CD1 4.23Å; V309-L559 HydrophobicContact CG2-CD2 4.48Å; R312-L559 HydrophobicContact CB-CB 4.05Å; R312-L559 HydrophobicContact CB-CD1 4.28Å; R312-L559 HydrophobicContact CG-CD1 4.33Å; I313-L559 HydrophobicContact CG2-CD2 3.99Å; L528-L559 HydrophobicContact CD1-CD2 4.39Å; L528-L559 HydrophobicContact CD2-CD2 4.24Å; L541-L559 HydrophobicContact CD1-CD1 4.04Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 2.84Å; I556-L559 PolarHBondContact O-N 3.03Å; L559-I562 PolarHBondContact O-N 3.18Å; L559-A563 WeakPolarHBondContact O-CB 3.36Å; L559-A563 PolarHBondContact O-N 3.37Å
560	D	93.5	Very high	83.2	Confident	80 Å²	80	52.4 Å²	52.4	43%	0.428	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-38.7	176.4	-72.1	-12.7	0	0	0	111.6	I556 L558 A563 L564	I556-D560 WeakPolarHBondContact O-CB 3.48Å; I556-D560 PolarHBondContact O-N 2.82Å; L558-D560 VanDerWaalsContact C-N 3.33Å; L558-D560 PolarHBondContact O-N 2.99Å; D560-A563 PolarHBondContact O-N 3.14Å; D560-L564 PolarHBondContact O-N 3.03Å
561	A	94	Very high	81.1	Confident	8 Å²	8	47.6 Å²	47.6	7%	0.066	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-40.4	174.2	0	0	0	0	0	112.3	G557 L558 L564 S582 A585 V586	G557-A561 VanDerWaalsContact O-CB 3.3Å; G557-A561 WeakPolarHBondContact O-CB 3.44Å; G557-A561 PolarHBondContact O-N 3.38Å; L558-A561 WeakPolarHBondContact O-CB 3.48Å; L558-A561 PolarHBondContact O-N 2.97Å; A561-L564 WeakPolarHBondContact O-CB 3.42Å; A561-S582 WeakPolarHBondContact O-CB 3.46Å; A561-A585 HydrophobicContact CB-CB 3.72Å; A561-V586 HydrophobicContact CB-CG2 3.91Å
562	I	94	Very high	79.1	Confident	7 Å²	7	50 Å²	50	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-67.5	-41.8	174.9	-65	169.8	0	0	0	110.4	I313 L522 T523 L528 L558 L559 L564 R565 V586	I313-I562 HydrophobicContact CB-CG2 4.25Å; I313-I562 HydrophobicContact CG2-CB 4.2Å; I313-I562 HydrophobicContact CG2-CG2 3.84Å; L522-I562 VanDerWaalsContact O-CD1 3.3Å; L522-I562 WeakPolarHBondContact O-CD1 3.29Å; T523-I562 HydrophobicContact CG2-CD1 4.22Å; T523-I562 HydrophobicContact CG2-CG1 4.06Å; T523-I562 HydrophobicContact CG2-CG2 4.31Å; L528-I562 HydrophobicContact CD1-CD1 3.81Å; L528-I562 HydrophobicContact CD2-CD1 4.14Å; L558-I562 HydrophobicContact CD1-CD1 3.98Å; L558-I562 HydrophobicContact CD1-CG1 4.26Å; L558-I562 HydrophobicContact CG-CD1 4Å; L558-I562 WeakPolarHBondContact O-CG1 3.3Å; L558-I562 PolarHBondContact O-N 3.21Å; L559-I562 PolarHBondContact O-N 3.18Å; I562-L564 PolarHBondContact O-N 3.38Å; I562-L564 VanDerWaalsContact O-N 3.14Å; I562-R565 WeakPolarHBondContact O-CB 3.34Å; I562-R565 PolarHBondContact O-N 3.33Å; I562-V586 HydrophobicContact CG1-CG2 3.76Å
563	A	91.6	Very high	77	Confident	16 Å²	16	53.2 Å²	53.2	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-20.2	-178.8	0	0	0	0	0	114.3	R312 L559 D560 R565 C566 S567	R312-A563 WeakPolarHBondContact O-CB 3.4Å; L559-A563 WeakPolarHBondContact O-CB 3.36Å; L559-A563 PolarHBondContact O-N 3.37Å; D560-A563 PolarHBondContact O-N 3.14Å; A563-R565 PolarHBondContact O-N 3.27Å; A563-C566 PolarHBondContact O-N 2.98Å; A563-S567 PolarHBondContact O-N 2.98Å; A563-S567 PolarHBondContact O-OG 3.14Å
564	L	88.1	Confident	75.3	Confident	73 Å²	73	51.5 Å²	51.5	38%	0.382	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.4	171.3	-67.9	179.3	0	0	0	111.8	D560 A561 I562 C566 S567 S578 A585	D560-L564 PolarHBondContact O-N 3.03Å; A561-L564 WeakPolarHBondContact O-CB 3.42Å; I562-L564 PolarHBondContact O-N 3.38Å; I562-L564 VanDerWaalsContact O-N 3.14Å; L564-C566 VanDerWaalsContact C-N 3.27Å; L564-C566 PolarHBondContact O-N 2.65Å; L564-S567 PolarHBondContact O-N 3.31Å; L564-S578 PolarHBondContact O-OG 3.33Å; L564-A585 HydrophobicContact CD1-CB 3.63Å
565	R	81.4	Confident	73.8	Confident	47 Å²	47	54 Å²	54	18%	0.177	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.3	-38.9	175.7	-169.3	178.6	-175.3	162.9	10.8	112.4	Y474 T475 I562 A563 S578 I579	Y474-R565 PolarHBondContact O-NH1 2.91Å; Y474-R565 PolarHBondContact O-NH2 3.4Å; T475-R565 PolarHBondContact O-NH1 3.07Å; I562-R565 WeakPolarHBondContact O-CB 3.34Å; I562-R565 PolarHBondContact O-N 3.33Å; A563-R565 PolarHBondContact O-N 3.27Å; R565-S578 VanDerWaalsContact C-OG 3.29Å; R565-S578 VanDerWaalsContact CA-OG 3.29Å; R565-S578 WeakPolarHBondContact CA-OG 3.46Å; R565-S578 PolarHBondContact O-OG 2.99Å; R565-I579 HydrophobicContact CG-CG1 4.17Å
566	C	70.7	Confident	72.9	Confident	25 Å²	25	59.8 Å²	59.8	17%	0.169	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-86.6	-15.5	-172.9	-60	0	0	0	0	113.4	I313 A563 L564 N568 H569	I313-C566 PolarHBondContact O-SG 3.1Å; A563-C566 PolarHBondContact O-N 2.98Å; L564-C566 VanDerWaalsContact C-N 3.27Å; L564-C566 PolarHBondContact O-N 2.65Å; C566-N568 VanDerWaalsContact C-N 3.33Å; C566-N568 PolarHBondContact O-N 3.46Å; C566-H569 PolarHBondContact O-CD2 3.19Å
567	S	64.4	Low	72.3	Confident	83 Å²	83	61.4 Å²	61.4	58%	0.58	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.4	-172.6	-64.2	0	0	0	0	114.4	A563 L564	A563-S567 PolarHBondContact O-N 2.98Å; A563-S567 PolarHBondContact O-OG 3.14Å; L564-S567 PolarHBondContact O-N 3.31Å
568	N	51.4	Low	71.7	Confident	65 Å²	65	60.9 Å²	60.9	35%	0.348	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	30.1	-167.5	-81.9	-22.8	0	0	0	116.5	C566 Q570	C566-N568 VanDerWaalsContact C-N 3.33Å; C566-N568 PolarHBondContact O-N 3.46Å; N568-Q570 PolarHBondContact O-N 2.85Å
569	H	50.8	Low	71.2	Confident	72 Å²	72	63.1 Å²	63.1	33%	0.333	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	10.7	-178.7	-82.1	-65.5	0	0	0	116.6	C566 S571	C566-H569 PolarHBondContact O-CD2 3.19Å; H569-S571 VanDerWaalsContact C-N 3.25Å; H569-S571 PolarHBondContact O-N 2.8Å
570	Q	43.9	Very low	70.8	Confident	181 Å²	181	70.3 Å²	70.3	85%	0.846	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	0.6	-178.9	-75.3	-170.5	-10.4	0	0	115.1	N568	N568-Q570 PolarHBondContact O-N 2.85Å
571	S	43	Very low	70.7	Confident	66 Å²	66	71.3 Å²	71.3	46%	0.462	39%	0.386	S	S	.	.			trans	-165.2	134.1	171.7	-140.6	0	0	0	0	112	H569 N573 N574	H569-S571 VanDerWaalsContact C-N 3.25Å; H569-S571 PolarHBondContact O-N 2.8Å; S571-N573 PolarHBondContact O-N 2.64Å; S571-N574 PolarHBondContact O-N 3Å
572	S	47.6	Very low	70.5	Confident	102 Å²	102	70.9 Å²	70.9	71%	0.713	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-55	-28.6	-180	-142.4	0	0	0	0	112.9	N574	S572-N574 VanDerWaalsContact C-N 3.3Å; S572-N574 PolarHBondContact O-N 3.39Å
573	N	47	Very low	70.4	Confident	152 Å²	152	73.9 Å²	73.9	81%	0.813	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-72.2	-15.1	177.2	-77.2	-2.6	0	0	0	114.7	S571	S571-N573 PolarHBondContact O-N 2.64Å
574	N	56	Low	70.5	Confident	79 Å²	79	79.1 Å²	79.1	42%	0.422	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-96.3	-2.6	-179.1	-96.3	-7.5	0	0	0	114.2	S571 S572 N576 S577 S578	S571-N574 PolarHBondContact O-N 3Å; S572-N574 VanDerWaalsContact C-N 3.3Å; S572-N574 PolarHBondContact O-N 3.39Å; N574-N576 VanDerWaalsContact C-N 3.35Å; N574-N576 PolarHBondContact O-N 2.79Å; N574-S577 PolarHBondContact O-N 3.31Å; N574-S577 PolarHBondContact O-OG 3.06Å; N574-S578 WeakPolarHBondContact O-CB 3.26Å; N574-S578 PolarHBondContact O-N 3.01Å; N574-S578 VanDerWaalsContact O-N 3.08Å
575	N	61.7	Low	70.7	Confident	55 Å²	55	76.7 Å²	76.7	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-41.4	-178.7	-74.4	-17.3	0	0	0	111.8	S577 S578 I579	N575-S577 PolarHBondContact O-N 3.27Å; N575-S578 PolarHBondContact O-N 3.38Å; N575-I579 WeakPolarHBondContact O-CD1 3.16Å; N575-I579 WeakPolarHBondContact O-CG1 3.41Å; N575-I579 PolarHBondContact O-N 3.24Å
576	N	74.1	Confident	71.3	Confident	121 Å²	121	74.5 Å²	74.5	65%	0.647	40%	0.404	S	S	*	.	H	α-helix	trans	-67.2	-33.8	-179.8	-76.2	-17	0	0	0	113.2	N574 K580	N574-N576 VanDerWaalsContact C-N 3.35Å; N574-N576 PolarHBondContact O-N 2.79Å; N576-K580 VanDerWaalsContact O-CG 3.32Å; N576-K580 WeakPolarHBondContact O-CG 3.49Å; N576-K580 PolarHBondContact O-N 2.96Å
577	S	80.2	Confident	72.5	Confident	46 Å²	46	76 Å²	76	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-72.1	-41.4	175.7	56.4	0	0	0	0	111	N574 N575 I579 K580 Q581	N574-S577 PolarHBondContact O-N 3.31Å; N574-S577 PolarHBondContact O-OG 3.06Å; N575-S577 PolarHBondContact O-N 3.27Å; S577-I579 PolarHBondContact O-N 3.28Å; S577-K580 PolarHBondContact O-N 3.15Å; S577-Q581 WeakPolarHBondContact O-CB 3.45Å; S577-Q581 VanDerWaalsContact O-CG 3.29Å; S577-Q581 WeakPolarHBondContact O-CG 3.3Å; S577-Q581 PolarHBondContact O-N 2.83Å
578	S	82	Confident	73.9	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.007	41%	0.405	C	S	.	.	H	α-helix	trans	-59	-45.2	175.8	-161.1	0	0	0	0	112.5	L564 R565 N574 N575 Q581 S582	L564-S578 PolarHBondContact O-OG 3.33Å; R565-S578 VanDerWaalsContact C-OG 3.29Å; R565-S578 VanDerWaalsContact CA-OG 3.29Å; R565-S578 WeakPolarHBondContact CA-OG 3.46Å; R565-S578 PolarHBondContact O-OG 2.99Å; N574-S578 WeakPolarHBondContact O-CB 3.26Å; N574-S578 PolarHBondContact O-N 3.01Å; N574-S578 VanDerWaalsContact O-N 3.08Å; N575-S578 PolarHBondContact O-N 3.38Å; S578-Q581 PolarHBondContact O-N 3.27Å; S578-S582 PolarHBondContact O-N 3.07Å
579	I	83.9	Confident	76	Confident	47 Å²	47	75.3 Å²	75.3	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-63.8	-44.8	177.5	-66.5	164	0	0	0	111.4	R565 N575 S577 Q581 S582 E583	R565-I579 HydrophobicContact CG-CG1 4.17Å; N575-I579 WeakPolarHBondContact O-CD1 3.16Å; N575-I579 WeakPolarHBondContact O-CG1 3.41Å; N575-I579 PolarHBondContact O-N 3.24Å; S577-I579 PolarHBondContact O-N 3.28Å; I579-Q581 VanDerWaalsContact C-N 3.28Å; I579-Q581 PolarHBondContact O-N 3.04Å; I579-S582 PolarHBondContact O-N 3.29Å; I579-S582 PolarHBondContact O-OG 3.25Å; I579-E583 WeakPolarHBondContact O-CB 3.29Å; I579-E583 PolarHBondContact O-N 2.88Å
580	K	88	Confident	78.1	Confident	151 Å²	151	72.5 Å²	72.5	66%	0.657	38%	0.381	S	S	*	.	H	α-helix	trans	-64.3	-35.8	177.6	-73.3	178.8	-179.2	-174	0	112	N576 S577 L584	N576-K580 VanDerWaalsContact O-CG 3.32Å; N576-K580 WeakPolarHBondContact O-CG 3.49Å; N576-K580 PolarHBondContact O-N 2.96Å; S577-K580 PolarHBondContact O-N 3.15Å; K580-L584 WeakPolarHBondContact O-CB 3.2Å; K580-L584 PolarHBondContact O-N 2.84Å
581	Q	90.5	Very high	80.5	Confident	100 Å²	100	72.3 Å²	72.3	47%	0.467	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-44.3	175.5	-75.5	174.9	-4	0	0	111.7	S577 S578 I579 L584 A585	S577-Q581 WeakPolarHBondContact O-CB 3.45Å; S577-Q581 VanDerWaalsContact O-CG 3.29Å; S577-Q581 WeakPolarHBondContact O-CG 3.3Å; S577-Q581 PolarHBondContact O-N 2.83Å; S578-Q581 PolarHBondContact O-N 3.27Å; I579-Q581 VanDerWaalsContact C-N 3.28Å; I579-Q581 PolarHBondContact O-N 3.04Å; Q581-L584 PolarHBondContact O-N 3.12Å; Q581-A585 VanDerWaalsContact O-CB 3.31Å; Q581-A585 WeakPolarHBondContact O-CB 3.47Å; Q581-A585 PolarHBondContact O-N 3.29Å
582	S	90.7	Very high	82.9	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-42.6	175.3	70.2	0	0	0	0	111.5	A561 S578 I579 L584 A585 V586	A561-S582 WeakPolarHBondContact O-CB 3.46Å; S578-S582 PolarHBondContact O-N 3.07Å; I579-S582 PolarHBondContact O-N 3.29Å; I579-S582 PolarHBondContact O-OG 3.25Å; S582-L584 PolarHBondContact O-N 2.89Å; S582-A585 PolarHBondContact O-N 3.13Å; S582-V586 WeakPolarHBondContact O-CG2 3.48Å; S582-V586 PolarHBondContact O-N 3.29Å
583	E	91.5	Very high	85.2	Confident	69 Å²	69	69 Å²	69	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-46.2	177.6	-168.9	-172	158.1	0	0	112.1	H519 I579 K587	H519-E583 HydrophobicContact CB-CG 3.87Å; H519-E583 VanDerWaalsContact CD2-CA 3.46Å; H519-E583 WeakPolarHBondContact CD2-CA 3.21Å; I579-E583 WeakPolarHBondContact O-CB 3.29Å; I579-E583 PolarHBondContact O-N 2.88Å; E583-K587 HydrophobicContact CG-CD 4.33Å; E583-K587 WeakPolarHBondContact O-CB 3.38Å; E583-K587 WeakPolarHBondContact O-CG 3.46Å; E583-K587 PolarHBondContact O-N 2.59Å; E583-K587 IonicContact OE1-NZ 3.4Å; E583-K587 PolarHBondContact OE1-NZ 3.38Å
584	L	93.1	Very high	87.4	Confident	126 Å²	126	65.7 Å²	65.7	66%	0.66	33%	0.33	S	S	*	.	H	α-helix	trans	-64.3	-40.9	176.5	-177.8	61.5	0	0	0	111.8	K580 Q581 S582 K587 K588	K580-L584 WeakPolarHBondContact O-CB 3.2Å; K580-L584 PolarHBondContact O-N 2.84Å; Q581-L584 PolarHBondContact O-N 3.12Å; S582-L584 PolarHBondContact O-N 2.89Å; L584-K587 PolarHBondContact O-N 3.49Å; L584-K588 VanDerWaalsContact O-CB 3.3Å; L584-K588 WeakPolarHBondContact O-CB 3.22Å; L584-K588 PolarHBondContact O-N 2.97Å
585	A	93.8	Very high	89.2	Confident	23 Å²	23	63.6 Å²	63.6	19%	0.19	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-42.3	179.2	0	0	0	0	0	112.2	A561 L564 Q581 S582 K588 W589	A561-A585 HydrophobicContact CB-CB 3.72Å; L564-A585 HydrophobicContact CD1-CB 3.63Å; Q581-A585 VanDerWaalsContact O-CB 3.31Å; Q581-A585 WeakPolarHBondContact O-CB 3.47Å; Q581-A585 PolarHBondContact O-N 3.29Å; S582-A585 PolarHBondContact O-N 3.13Å; A585-K588 WeakPolarHBondContact O-CB 3.38Å; A585-K588 PolarHBondContact O-N 2.79Å; A585-W589 WeakPolarHBondContact O-CB 3.48Å; A585-W589 PolarHBondContact O-N 2.92Å
586	V	94.5	Very high	90.7	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-44.4	175.6	171.6	0	0	0	0	110.7	H519 L522 L558 A561 I562 S582 K588 W589 A590	H519-V586 HydrophobicContact CB-CG1 4.38Å; L522-V586 HydrophobicContact CB-CG1 4.24Å; L522-V586 HydrophobicContact CD1-CG1 3.98Å; L558-V586 HydrophobicContact CD1-CB 4.45Å; L558-V586 HydrophobicContact CD1-CG1 3.84Å; L558-V586 HydrophobicContact CD1-CG2 4.04Å; A561-V586 HydrophobicContact CB-CG2 3.91Å; I562-V586 HydrophobicContact CG1-CG2 3.76Å; S582-V586 WeakPolarHBondContact O-CG2 3.48Å; S582-V586 PolarHBondContact O-N 3.29Å; V586-K588 VanDerWaalsContact C-N 3.28Å; V586-K588 PolarHBondContact O-N 3.02Å; V586-W589 PolarHBondContact O-N 3.05Å; V586-A590 WeakPolarHBondContact O-CB 3.18Å; V586-A590 PolarHBondContact O-N 3.14Å
587	K	94.1	Very high	91.6	Very high	56 Å²	56	57.3 Å²	57.3	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-36.3	175	-77.2	176.4	172.3	172.6	0	112.3	D516 I518 E583 L584 K591	D516-K587 VanDerWaalsContact O-CE 3.23Å; D516-K587 WeakPolarHBondContact O-CE 3.44Å; D516-K587 PolarHBondContact O-NZ 3.05Å; I518-K587 HydrophobicContact CG2-CG 4.02Å; E583-K587 HydrophobicContact CG-CD 4.33Å; E583-K587 WeakPolarHBondContact O-CB 3.38Å; E583-K587 WeakPolarHBondContact O-CG 3.46Å; E583-K587 PolarHBondContact O-N 2.59Å; E583-K587 IonicContact OE1-NZ 3.4Å; E583-K587 PolarHBondContact OE1-NZ 3.38Å; L584-K587 PolarHBondContact O-N 3.49Å; K587-K591 WeakPolarHBondContact O-CG 3.29Å; K587-K591 PolarHBondContact O-N 3.38Å
588	K	94.5	Very high	92.3	Very high	120 Å²	120	59.4 Å²	59.4	52%	0.522	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-50.3	174.7	-177.3	-174.8	174.5	-170.5	0	110.9	L584 A585 V586 A590 K591 E592	L584-K588 VanDerWaalsContact O-CB 3.3Å; L584-K588 WeakPolarHBondContact O-CB 3.22Å; L584-K588 PolarHBondContact O-N 2.97Å; A585-K588 WeakPolarHBondContact O-CB 3.38Å; A585-K588 PolarHBondContact O-N 2.79Å; V586-K588 VanDerWaalsContact C-N 3.28Å; V586-K588 PolarHBondContact O-N 3.02Å; K588-A590 VanDerWaalsContact C-N 3.32Å; K588-A590 PolarHBondContact O-N 3.03Å; K588-K591 PolarHBondContact O-N 3.28Å; K588-K591 VanDerWaalsContact O-N 3.07Å; K588-E592 VanDerWaalsContact CE-CD 3.4Å; K588-E592 WeakPolarHBondContact CE-OE1 3.46Å; K588-E592 VanDerWaalsContact CE-OE2 3.27Å; K588-E592 WeakPolarHBondContact CE-OE2 3.46Å; K588-E592 HydrophobicContact CG-CG 4.44Å; K588-E592 WeakPolarHBondContact CG-OE1 3.38Å; K588-E592 IonicContact NZ-OE1 2.67Å; K588-E592 WeakPolarHBondContact O-CG 3.36Å; K588-E592 PolarHBondContact O-N 3.45Å
589	W	95.8	Very high	92.8	Very high	15 Å²	15	59.5 Å²	59.5	6%	0.057	30%	0.302	C	S	.	.	H	α-helix	trans	-55.7	-46.8	176.9	173.6	87	0	0	0	111.6	L522 L539 Y553 G554 L558 A585 V586 K591 E592 S593 W596	L522-W589 HydrophobicContact CD1-CE3 4.37Å; L522-W589 HydrophobicContact CD1-CZ3 3.91Å; L539-W589 HydrophobicContact CD2-CH2 4.43Å; L539-W589 HydrophobicContact CD2-CZ2 4.29Å; Y553-W589 PolarHBondContact O-NE1 3.36Å; G554-W589 WeakPolarHBondContact O-CZ2 3.22Å; G554-W589 PolarHBondContact O-NE1 2.86Å; L558-W589 HydrophobicContact CB-CD2 3.78Å; L558-W589 HydrophobicContact CB-CE3 3.98Å; L558-W589 HydrophobicContact CB-CG 4.43Å; L558-W589 HydrophobicContact CB-CH2 3.95Å; L558-W589 HydrophobicContact CB-CZ2 3.74Å; L558-W589 HydrophobicContact CB-CZ3 4.06Å; L558-W589 HydrophobicContact CD1-CD2 4.27Å; L558-W589 HydrophobicContact CD1-CE3 3.77Å; L558-W589 HydrophobicContact CD1-CZ3 4Å; L558-W589 HydrophobicContact CD2-CE3 4.45Å; L558-W589 HydrophobicContact CD2-CH2 3.92Å; L558-W589 HydrophobicContact CD2-CZ3 3.89Å; L558-W589 HydrophobicContact CG-CE3 4.27Å; L558-W589 HydrophobicContact CG-CH2 4.39Å; L558-W589 HydrophobicContact CG-CZ3 4.2Å; A585-W589 WeakPolarHBondContact O-CB 3.48Å; A585-W589 PolarHBondContact O-N 2.92Å; V586-W589 PolarHBondContact O-N 3.05Å; W589-K591 PolarHBondContact O-N 2.82Å; W589-E592 PolarHBondContact O-N 2.9Å; W589-E592 VanDerWaalsContact O-N 3.13Å; W589-S593 WeakPolarHBondContact O-CB 3.47Å; W589-S593 PolarHBondContact O-N 3.48Å; W589-W596 HydrophobicContact CH2-CB 3.8Å; W589-W596 HydrophobicContact CH2-CD2 4.14Å; W589-W596 AromaticContact CH2-CE3 3.96Å; W589-W596 HydrophobicContact CH2-CE3 3.96Å; W589-W596 HydrophobicContact CH2-CG 4.08Å; W589-W596 HydrophobicContact CZ2-CB 4.4Å; W589-W596 HydrophobicContact CZ3-CB 4.01Å; W589-W596 AromaticContact CZ3-CD2 3.89Å; W589-W596 HydrophobicContact CZ3-CD2 3.89Å; W589-W596 HydrophobicContact CZ3-CE3 4.02Å; W589-W596 AromaticContact CZ3-CG 3.86Å; W589-W596 HydrophobicContact CZ3-CG 3.86Å
590	A	94.5	Very high	93.2	Very high	13 Å²	13	59.9 Å²	59.9	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-27.9	179.1	0	0	0	0	0	113.2	I518 V586 K588	I518-A590 HydrophobicContact CD1-CB 3.88Å; V586-A590 WeakPolarHBondContact O-CB 3.18Å; V586-A590 PolarHBondContact O-N 3.14Å; K588-A590 VanDerWaalsContact C-N 3.32Å; K588-A590 PolarHBondContact O-N 3.03Å
591	K	93.7	Very high	93.3	Very high	177 Å²	177	59.1 Å²	59.1	77%	0.77	30%	0.302	S	S	*	.	H	α-helix	trans	-81.3	-32.6	175.4	-72.7	175.7	-178.2	-175.2	0	113.2	K587 K588 W589	K587-K591 WeakPolarHBondContact O-CG 3.29Å; K587-K591 PolarHBondContact O-N 3.38Å; K588-K591 PolarHBondContact O-N 3.28Å; K588-K591 VanDerWaalsContact O-N 3.07Å; W589-K591 PolarHBondContact O-N 2.82Å
592	E	94.9	Very high	93.4	Very high	95 Å²	95	57.5 Å²	57.5	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-94.1	-19	-173.4	-68.1	177.3	-179.7	0	0	112.9	Y553 K588 W589 P594	Y553-E592 HydrophobicContact CD1-CB 4.15Å; Y553-E592 HydrophobicContact CE1-CB 4.05Å; K588-E592 VanDerWaalsContact CE-CD 3.4Å; K588-E592 WeakPolarHBondContact CE-OE1 3.46Å; K588-E592 VanDerWaalsContact CE-OE2 3.27Å; K588-E592 WeakPolarHBondContact CE-OE2 3.46Å; K588-E592 HydrophobicContact CG-CG 4.44Å; K588-E592 WeakPolarHBondContact CG-OE1 3.38Å; K588-E592 IonicContact NZ-OE1 2.67Å; K588-E592 WeakPolarHBondContact O-CG 3.36Å; K588-E592 PolarHBondContact O-N 3.45Å; W589-E592 PolarHBondContact O-N 2.9Å; W589-E592 VanDerWaalsContact O-N 3.13Å; E592-P594 VanDerWaalsContact O-CD 3.26Å; E592-P594 WeakPolarHBondContact O-CD 3.42Å
593	S	95.1	Very high	93.4	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.014	30%	0.297	C	S	.	.			trans	-80	113.1	-178.4	175.8	0	0	0	0	111.8	Y553 W589 I595 W596 A597	Y553-S593 WeakPolarHBondContact O-CB 3.35Å; Y553-S593 PolarHBondContact O-OG 2.93Å; W589-S593 WeakPolarHBondContact O-CB 3.47Å; W589-S593 PolarHBondContact O-N 3.48Å; S593-I595 VanDerWaalsContact C-N 3.3Å; S593-I595 PolarHBondContact O-N 3.48Å; S593-W596 PolarHBondContact O-N 2.92Å; S593-W596 WeakPolarHBondContact OG-CB 3.47Å; S593-W596 PolarHBondContact OG-N 3.38Å; S593-A597 PolarHBondContact O-N 3.45Å; S593-A597 VanDerWaalsContact O-N 3.08Å
594	P	94	Very high	93.3	Very high	83 Å²	83	57.7 Å²	57.7	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-31.9	174.5	28.3	-33.3	0	0	0	111.8	E592 A597 T598	E592-P594 VanDerWaalsContact O-CD 3.26Å; E592-P594 WeakPolarHBondContact O-CD 3.42Å; P594-A597 WeakPolarHBondContact O-CB 3.34Å; P594-A597 PolarHBondContact O-N 2.93Å; P594-T598 PolarHBondContact O-N 3.39Å; P594-T598 VanDerWaalsContact O-N 3.13Å; P594-T598 PolarHBondContact O-OG1 2.9Å
595	I	92.4	Very high	93.2	Very high	36 Å²	36	54.2 Å²	54.2	19%	0.185	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-46.6	176.8	-57.8	168.4	0	0	0	109.4	L539 S593 A597 T598 V599	L539-I595 HydrophobicContact CD2-CB 4.33Å; L539-I595 HydrophobicContact CD2-CG2 3.6Å; L539-I595 HydrophobicContact CG-CG2 3.88Å; S593-I595 VanDerWaalsContact C-N 3.3Å; S593-I595 PolarHBondContact O-N 3.48Å; I595-A597 VanDerWaalsContact C-N 3.33Å; I595-A597 PolarHBondContact O-N 3.23Å; I595-T598 PolarHBondContact O-N 2.94Å; I595-V599 WeakPolarHBondContact O-CG2 3.31Å; I595-V599 PolarHBondContact O-N 3.02Å
596	W	94.5	Very high	93	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-39.2	175.5	178.3	-100.9	0	0	0	112.4	F506 L510 I518 L522 L539 W589 S593 T598 V599 Q600	F506-W596 AromaticContact CZ-CH2 3.73Å; F506-W596 HydrophobicContact CZ-CH2 3.73Å; F506-W596 AromaticContact CZ-CZ3 3.9Å; F506-W596 HydrophobicContact CZ-CZ3 3.9Å; L510-W596 HydrophobicContact CD1-CH2 4.08Å; L510-W596 HydrophobicContact CD1-CZ2 3.95Å; L510-W596 HydrophobicContact CD2-CH2 4.16Å; L510-W596 HydrophobicContact CD2-CZ2 4.2Å; I518-W596 HydrophobicContact CD1-CZ2 3.61Å; I518-W596 HydrophobicContact CG1-CZ2 4.25Å; L522-W596 HydrophobicContact CD1-CH2 4.3Å; L522-W596 HydrophobicContact CD1-CZ2 4.31Å; L522-W596 HydrophobicContact CD2-CH2 3.59Å; L522-W596 HydrophobicContact CD2-CZ2 4.37Å; L522-W596 HydrophobicContact CD2-CZ3 3.71Å; L522-W596 HydrophobicContact CG-CH2 4.3Å; L539-W596 HydrophobicContact CD1-CE3 4.33Å; W589-W596 HydrophobicContact CH2-CB 3.8Å; W589-W596 HydrophobicContact CH2-CD2 4.14Å; W589-W596 AromaticContact CH2-CE3 3.96Å; W589-W596 HydrophobicContact CH2-CE3 3.96Å; W589-W596 HydrophobicContact CH2-CG 4.08Å; W589-W596 HydrophobicContact CZ2-CB 4.4Å; W589-W596 HydrophobicContact CZ3-CB 4.01Å; W589-W596 AromaticContact CZ3-CD2 3.89Å; W589-W596 HydrophobicContact CZ3-CD2 3.89Å; W589-W596 HydrophobicContact CZ3-CE3 4.02Å; W589-W596 AromaticContact CZ3-CG 3.86Å; W589-W596 HydrophobicContact CZ3-CG 3.86Å; S593-W596 PolarHBondContact O-N 2.92Å; S593-W596 WeakPolarHBondContact OG-CB 3.47Å; S593-W596 PolarHBondContact OG-N 3.38Å; W596-T598 VanDerWaalsContact C-N 3.3Å; W596-T598 PolarHBondContact O-N 2.7Å; W596-V599 HydrophobicContact CE3-CB 4.27Å; W596-V599 HydrophobicContact CE3-CG1 4.07Å; W596-V599 HydrophobicContact CZ3-CG1 3.88Å; W596-V599 PolarHBondContact O-N 3.05Å; W596-V599 VanDerWaalsContact O-N 3.14Å; W596-Q600 WeakPolarHBondContact O-CB 3.32Å; W596-Q600 PolarHBondContact O-N 3.42Å
597	A	93.2	Very high	92.4	Very high	43 Å²	43	56.6 Å²	56.6	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-44.6	176.1	0	0	0	0	0	111.5	S593 P594 I595 Q600 E601	S593-A597 PolarHBondContact O-N 3.45Å; S593-A597 VanDerWaalsContact O-N 3.08Å; P594-A597 WeakPolarHBondContact O-CB 3.34Å; P594-A597 PolarHBondContact O-N 2.93Å; I595-A597 VanDerWaalsContact C-N 3.33Å; I595-A597 PolarHBondContact O-N 3.23Å; A597-Q600 PolarHBondContact O-N 3.32Å; A597-E601 WeakPolarHBondContact O-CG 3.49Å; A597-E601 PolarHBondContact O-N 3.42Å
598	T	93	Very high	91.6	Very high	91 Å²	91	58.7 Å²	58.7	56%	0.558	32%	0.323	S	S	*	.	H	α-helix	trans	-63.2	-42.5	174	-55.5	0	0	0	0	112.5	P594 I595 W596 Q600 E601 L602	P594-T598 PolarHBondContact O-N 3.39Å; P594-T598 VanDerWaalsContact O-N 3.13Å; P594-T598 PolarHBondContact O-OG1 2.9Å; I595-T598 PolarHBondContact O-N 2.94Å; W596-T598 VanDerWaalsContact C-N 3.3Å; W596-T598 PolarHBondContact O-N 2.7Å; T598-Q600 VanDerWaalsContact C-N 3.31Å; T598-Q600 PolarHBondContact O-N 3.45Å; T598-E601 PolarHBondContact O-N 3.27Å; T598-L602 WeakPolarHBondContact O-CB 3.48Å; T598-L602 PolarHBondContact O-N 3.26Å
599	V	92.8	Very high	90.6	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-41.2	176.4	170	0	0	0	0	111.4	F506 L537 L539 I595 W596 L602 A603	F506-V599 HydrophobicContact CE1-CG1 3.8Å; F506-V599 HydrophobicContact CZ-CG1 4.27Å; L537-V599 HydrophobicContact CB-CG2 3.92Å; L537-V599 HydrophobicContact CD1-CG1 4.41Å; L537-V599 HydrophobicContact CD2-CG1 4.2Å; L537-V599 HydrophobicContact CD2-CG2 4.15Å; L537-V599 VanDerWaalsContact O-CG2 3.31Å; L537-V599 WeakPolarHBondContact O-CG2 3.49Å; L539-V599 HydrophobicContact CD1-CG2 3.94Å; L539-V599 HydrophobicContact CG-CG2 4.31Å; I595-V599 WeakPolarHBondContact O-CG2 3.31Å; I595-V599 PolarHBondContact O-N 3.02Å; W596-V599 HydrophobicContact CE3-CB 4.27Å; W596-V599 HydrophobicContact CE3-CG1 4.07Å; W596-V599 HydrophobicContact CZ3-CG1 3.88Å; W596-V599 PolarHBondContact O-N 3.05Å; W596-V599 VanDerWaalsContact O-N 3.14Å; V599-L602 PolarHBondContact O-N 3.43Å; V599-A603 WeakPolarHBondContact O-CB 3.43Å; V599-A603 PolarHBondContact O-N 3.43Å
600	Q	91.9	Very high	89.5	Confident	54 Å²	54	62.3 Å²	62.3	25%	0.252	35%	0.347	S	S	.	.	H	α-helix	trans	-68.7	-41.6	178.6	-175.1	174.3	-35.7	0	0	111.7	W596 A597 T598 A603 N604	W596-Q600 WeakPolarHBondContact O-CB 3.32Å; W596-Q600 PolarHBondContact O-N 3.42Å; A597-Q600 PolarHBondContact O-N 3.32Å; T598-Q600 VanDerWaalsContact C-N 3.31Å; T598-Q600 PolarHBondContact O-N 3.45Å; Q600-A603 PolarHBondContact O-N 3.28Å; Q600-N604 WeakPolarHBondContact O-CB 3.42Å; Q600-N604 PolarHBondContact O-N 3.4Å; Q600-N604 PolarHBondContact O-ND2 2.95Å
601	E	91.8	Very high	87.9	Confident	136 Å²	136	66.2 Å²	66.2	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-61.9	-44.8	173.6	-75.7	177.9	175.8	0	0	111.8	A597 T598 N604 A605	A597-E601 WeakPolarHBondContact O-CG 3.49Å; A597-E601 PolarHBondContact O-N 3.42Å; T598-E601 PolarHBondContact O-N 3.27Å; E601-N604 PolarHBondContact O-N 3.42Å; E601-A605 PolarHBondContact O-N 3.1Å
602	L	91.6	Very high	86.2	Confident	65 Å²	65	63.9 Å²	63.9	34%	0.34	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-47	175.7	179.9	66.5	0	0	0	111.5	I503 L537 T598 V599 N604 A605 V606	I503-L602 HydrophobicContact CD1-CD2 4.15Å; I503-L602 HydrophobicContact CG2-CD2 4.47Å; L537-L602 HydrophobicContact CD2-CD2 3.64Å; T598-L602 WeakPolarHBondContact O-CB 3.48Å; T598-L602 PolarHBondContact O-N 3.26Å; V599-L602 PolarHBondContact O-N 3.43Å; L602-N604 VanDerWaalsContact C-N 3.34Å; L602-N604 PolarHBondContact O-N 3.32Å; L602-A605 PolarHBondContact O-N 3.43Å; L602-V606 WeakPolarHBondContact O-CG2 3.27Å; L602-V606 PolarHBondContact O-N 3.3Å
603	A	90.8	Very high	84.2	Confident	2 Å²	2	61.6 Å²	61.6	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-44.2	177.4	0	0	0	0	0	111.6	F506 A507 L510 V599 Q600 A605 V606 V607	F506-A603 HydrophobicContact CE1-CB 4.44Å; A507-A603 HydrophobicContact CB-CB 3.82Å; A507-A603 WeakPolarHBondContact CB-O 3.44Å; L510-A603 HydrophobicContact CD2-CB 3.79Å; V599-A603 WeakPolarHBondContact O-CB 3.43Å; V599-A603 PolarHBondContact O-N 3.43Å; Q600-A603 PolarHBondContact O-N 3.28Å; A603-A605 VanDerWaalsContact C-N 3.34Å; A603-A605 PolarHBondContact O-N 3.18Å; A603-V606 PolarHBondContact O-N 3.46Å; A603-V607 WeakPolarHBondContact O-CG2 3.14Å; A603-V607 PolarHBondContact O-N 3.42Å
604	N	90.2	Very high	81.8	Confident	72 Å²	72	66.5 Å²	66.5	39%	0.385	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-37.7	177.7	-70.9	-23.9	0	0	0	112.7	Q600 E601 L602 S608	Q600-N604 WeakPolarHBondContact O-CB 3.42Å; Q600-N604 PolarHBondContact O-N 3.4Å; Q600-N604 PolarHBondContact O-ND2 2.95Å; E601-N604 PolarHBondContact O-N 3.42Å; L602-N604 VanDerWaalsContact C-N 3.34Å; L602-N604 PolarHBondContact O-N 3.32Å; N604-S608 PolarHBondContact O-N 3.48Å; N604-S608 PolarHBondContact O-OG 3.37Å
605	A	90.2	Very high	79.2	Confident	52 Å²	52	68.2 Å²	68.2	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-46.5	174.4	0	0	0	0	0	111.2	E601 L602 A603 V607 S608 D609	E601-A605 PolarHBondContact O-N 3.1Å; L602-A605 PolarHBondContact O-N 3.43Å; A603-A605 VanDerWaalsContact C-N 3.34Å; A603-A605 PolarHBondContact O-N 3.18Å; A605-V607 PolarHBondContact O-N 3.03Å; A605-S608 WeakPolarHBondContact O-CB 3.49Å; A605-S608 PolarHBondContact O-N 3.06Å; A605-D609 PolarHBondContact O-N 3.13Å
606	V	88.8	Confident	76.9	Confident	39 Å²	39	70.5 Å²	70.5	24%	0.236	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-39.9	-179.8	172.8	0	0	0	0	112.4	I503 P504 A507 L602 A603 S608 D609 M610	I503-V606 HydrophobicContact CG2-CG2 4.08Å; P504-V606 HydrophobicContact CB-CG1 4.09Å; P504-V606 HydrophobicContact CG-CG1 3.93Å; A507-V606 HydrophobicContact CB-CB 4.4Å; A507-V606 HydrophobicContact CB-CG1 4.39Å; L602-V606 WeakPolarHBondContact O-CG2 3.27Å; L602-V606 PolarHBondContact O-N 3.3Å; A603-V606 PolarHBondContact O-N 3.46Å; V606-S608 VanDerWaalsContact C-N 3.31Å; V606-S608 PolarHBondContact O-N 3.43Å; V606-D609 PolarHBondContact O-N 3.03Å; V606-M610 PolarHBondContact O-N 3.08Å
607	V	83.1	Confident	74.1	Confident	35 Å²	35	75.8 Å²	75.8	21%	0.212	46%	0.458	C	S	.	.	H	α-helix	trans	-66.7	-34.8	177.2	176.3	0	0	0	0	111.7	A507 H511 A603 A605 D609 M610	A507-V607 HydrophobicContact CB-CG2 3.58Å; A507-V607 WeakPolarHBondContact O-CG2 2.86Å; H511-V607 HydrophobicContact CB-CG1 4.41Å; H511-V607 HydrophobicContact CB-CG2 4.17Å; A603-V607 WeakPolarHBondContact O-CG2 3.14Å; A603-V607 PolarHBondContact O-N 3.42Å; A605-V607 PolarHBondContact O-N 3.03Å; V607-D609 PolarHBondContact O-N 3.21Å; V607-M610 PolarHBondContact O-N 2.84Å; V607-M610 VanDerWaalsContact O-N 3.17Å
608	S	76.9	Confident	71.3	Confident	100 Å²	100	80.1 Å²	80.1	70%	0.699	48%	0.481	S	S	*	.	H	α-helix	trans	-63.8	-30.2	-179.5	-59.2	0	0	0	0	112.7	N604 A605 V606	N604-S608 PolarHBondContact O-N 3.48Å; N604-S608 PolarHBondContact O-OG 3.37Å; A605-S608 WeakPolarHBondContact O-CB 3.49Å; A605-S608 PolarHBondContact O-N 3.06Å; V606-S608 VanDerWaalsContact C-N 3.31Å; V606-S608 PolarHBondContact O-N 3.43Å
609	D	74.2	Confident	68.6	Low	143 Å²	143	84 Å²	84	77%	0.765	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.2	178.8	-69.5	-23.8	0	0	0	113.3	A605 V606 V607	A605-D609 PolarHBondContact O-N 3.13Å; V606-D609 PolarHBondContact O-N 3.03Å; V607-D609 PolarHBondContact O-N 3.21Å
610	M	71.1	Confident	66.1	Low	67 Å²	67	86.2 Å²	86.2	33%	0.33	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-84.8	127.3	-171.1	-159.4	179.8	173.6	0	0	111.9	P504 R508 V606 V607	P504-M610 HydrophobicContact CB-SD 4.45Å; R508-M610 HydrophobicContact CG-SD 3.76Å; V606-M610 PolarHBondContact O-N 3.08Å; V607-M610 PolarHBondContact O-N 2.84Å; V607-M610 VanDerWaalsContact O-N 3.17Å
611	P	62.1	Low	63.4	Low	96 Å²	96	89.8 Å²	89.8	62%	0.623	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-66.2	152.8	168.3	27	-32.2	0	0	0	110.9	S613	P611-S613 PolarHBondContact O-N 3.07Å
612	P	57.3	Low	60.9	Low	127 Å²	127	86 Å²	86	83%	0.825	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-55.5	139.9	173.2	22.1	-30.6	0	0	0	110.4
613	S	52.5	Low	58.2	Low	48 Å²	48	84.3 Å²	84.3	34%	0.336	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-53.1	135.1	-170.8	27.2	0	0	0	0	112	D486 P611	D486-S613 WeakPolarHBondContact OD2-CB 3.43Å; D486-S613 PolarHBondContact OD2-OG 2.96Å; P611-S613 PolarHBondContact O-N 3.07Å
614	P	45.5	Very low	55.6	Low	105 Å²	105	91 Å²	91	68%	0.682	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-65.6	137.6	167.4	27.2	-31.7	0	0	0	108.8	L616	P614-L616 PolarHBondContact O-N 3.31Å
615	P	38.9	Very low	52.9	Low	118 Å²	118	91 Å²	91	77%	0.766	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.8	126.6	179.7	23.3	-31	0	0	0	109.8
616	L	43.8	Very low	50.3	Low	84 Å²	84	89.8 Å²	89.8	44%	0.44	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-57.8	152.6	165.6	-95.1	111.2	0	0	0	109.7	P614 T618	P614-L616 PolarHBondContact O-N 3.31Å; L616-T618 PolarHBondContact O-N 2.9Å
617	P	35.9	Very low	47.8	Very low	111 Å²	111	90.8 Å²	90.8	72%	0.721	53%	0.531	S	S	*	.			trans	-53.8	113.6	173.7	-20.5	30.5	0	0	0	109.8	Q619	P617-Q619 PolarHBondContact O-N 3.38Å
618	T	35.4	Very low	45.5	Very low	135 Å²	135	94.5 Å²	94.5	83%	0.828	56%	0.559	S	S	*	*			trans	-70.3	77.6	168.6	52.5	0	0	0	0	108	L616	L616-T618 PolarHBondContact O-N 2.9Å
619	Q	36	Very low	43.3	Very low	171 Å²	171	94.2 Å²	94.2	80%	0.799	56%	0.557	S	S	*	*			trans	-126.1	118.4	166.5	-72.8	-167.8	9.7	0	0	109.6	P617	P617-Q619 PolarHBondContact O-N 3.38Å
620	S	39.5	Very low	41.2	Very low	50 Å²	50	89.4 Å²	89.4	35%	0.35	53%	0.534	S	S	.	.			trans	87.5	60.4	167.7	78.6	0	0	0	0	119.5	S622 Y623	S620-S622 WeakPolarHBondContact CB-OG 3.48Å; S620-S622 PolarHBondContact O-N 2.85Å; S620-S622 VanDerWaalsContact O-N 3.11Å; S620-Y623 PolarHBondContact O-N 3.32Å
621	D	34.9	Very low	39.1	Very low	129 Å²	129	90.5 Å²	90.5	69%	0.69	55%	0.548	S	S	*	.	H	α-helix	trans	-57.6	-11.8	150.9	-79	-37	0	0	0	113.3	Y623 R624	D621-Y623 VanDerWaalsContact C-N 3.32Å; D621-Y623 PolarHBondContact O-N 3.4Å; D621-R624 PolarHBondContact O-N 2.87Å
622	S	40.1	Very low	37.4	Very low	56 Å²	56	90.2 Å²	90.2	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-32.9	175.5	43.9	0	0	0	0	113.1	G332 S620	G332-S622 CarbonylContact O-C 3.37Å; G332-S622 VanDerWaalsContact O-C 3.31Å; G332-S622 WeakPolarHBondContact O-CB 3.47Å; S620-S622 WeakPolarHBondContact CB-OG 3.48Å; S620-S622 PolarHBondContact O-N 2.85Å; S620-S622 VanDerWaalsContact O-N 3.11Å
623	Y	35.9	Very low	35.8	Very low	31 Å²	31	88.9 Å²	88.9	12%	0.122	54%	0.538	C	S	.	.	H	α-helix	trans	-85.7	-24.3	179.8	-72	-71.8	0	0	0	114.4	R246 G332 S620 D621 A626	R246-Y623 HydrophobicContact CG-CG 4.4Å; G332-Y623 VanDerWaalsContact CA-CZ 3.48Å; S620-Y623 PolarHBondContact O-N 3.32Å; D621-Y623 VanDerWaalsContact C-N 3.32Å; D621-Y623 PolarHBondContact O-N 3.4Å; Y623-A626 WeakPolarHBondContact O-CB 3.3Å; Y623-A626 PolarHBondContact O-N 3.28Å
624	R	34.7	Very low	34.5	Very low	142 Å²	142	93.3 Å²	93.3	54%	0.536	56%	0.557	S	S	.	*	H	α-helix	trans	-70.6	-38.8	178.7	-81.5	-175.2	171.8	-157.9	-5.4	112.5	D621 A626 L627	D621-R624 PolarHBondContact O-N 2.87Å; R624-A626 PolarHBondContact O-N 2.87Å; R624-L627 PolarHBondContact O-N 3.22Å
625	S	34.9	Very low	33.4	Very low	72 Å²	72	91.3 Å²	91.3	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-60.1	-27.9	177.6	-72.7	0	0	0	0	112	L627 S628 S629	S625-L627 PolarHBondContact O-N 3.46Å; S625-L627 VanDerWaalsContact O-N 3.11Å; S625-S628 PolarHBondContact O-N 3.44Å; S625-S628 VanDerWaalsContact O-N 3.12Å; S625-S629 PolarHBondContact O-N 3.45Å; S625-S629 PolarHBondContact O-OG 3.02Å
626	A	35.6	Very low	32.7	Very low	27 Å²	27	92.8 Å²	92.8	22%	0.223	56%	0.563	C	S	.	*	H	α-helix	trans	-59.4	-26.2	-178.7	0	0	0	0	0	113.3	Y623 R624 S630	Y623-A626 WeakPolarHBondContact O-CB 3.3Å; Y623-A626 PolarHBondContact O-N 3.28Å; R624-A626 PolarHBondContact O-N 2.87Å; A626-S630 VanDerWaalsContact O-CA 3.26Å; A626-S630 WeakPolarHBondContact O-CA 3.31Å; A626-S630 WeakPolarHBondContact O-CB 3.33Å; A626-S630 PolarHBondContact O-N 2.95Å; A626-S630 PolarHBondContact O-OG 3.33Å
627	L	36.4	Very low	31.7	Very low	59 Å²	59	91.5 Å²	91.5	31%	0.309	57%	0.569	S	S	.	*	H	α-helix	trans	-101	-18.4	171.1	-84	111.7	0	0	0	114.9	N239 R624 S625 S629 S630	N239-L627 WeakPolarHBondContact OD1-CD1 3.38Å; R624-L627 PolarHBondContact O-N 3.22Å; S625-L627 PolarHBondContact O-N 3.46Å; S625-L627 VanDerWaalsContact O-N 3.11Å; L627-S629 VanDerWaalsContact C-N 3.25Å; L627-S630 CarbonylContact O-C 3.5Å
628	S	34.3	Very low	31.3	Very low	114 Å²	114	92 Å²	92	80%	0.797	57%	0.573	S	S	*	*	H	α-helix	trans	-74.4	-22.7	169.2	-168.4	0	0	0	0	111.8	S625	S625-S628 PolarHBondContact O-N 3.44Å; S625-S628 VanDerWaalsContact O-N 3.12Å
629	S	29.5	Very low	30.9	Very low	94 Å²	94	92.1 Å²	92.1	66%	0.657	57%	0.573	S	S	*	*	H	α-helix	trans	-114.5	-17.2	173.5	65.6	0	0	0	0	114.6	S625 L627 S631	S625-S629 PolarHBondContact O-N 3.45Å; S625-S629 PolarHBondContact O-OG 3.02Å; L627-S629 VanDerWaalsContact C-N 3.25Å; S629-S631 PolarHBondContact O-N 2.97Å
630	S	30.7	Very low	30.3	Very low	41 Å²	41	88.9 Å²	88.9	29%	0.287	57%	0.57	S	S	.	*			trans	-82.7	82.3	150.3	77	0	0	0	0	107.9	A626 L627 V632	A626-S630 VanDerWaalsContact O-CA 3.26Å; A626-S630 WeakPolarHBondContact O-CA 3.31Å; A626-S630 WeakPolarHBondContact O-CB 3.33Å; A626-S630 PolarHBondContact O-N 2.95Å; A626-S630 PolarHBondContact O-OG 3.33Å; L627-S630 CarbonylContact O-C 3.5Å; S630-V632 VanDerWaalsContact C-N 3.27Å; S630-V632 PolarHBondContact O-N 3.31Å
631	S	26.6	Very low	29.8	Very low	90 Å²	90	93 Å²	93	63%	0.629	59%	0.592	S	S	*	*			trans	-40.7	112.7	130.8	42.6	0	0	0	0	106	S629 S633	S629-S631 PolarHBondContact O-N 2.97Å; S631-S633 PolarHBondContact O-N 2.96Å
632	V	27	Very low	29.2	Very low	90 Å²	90	95 Å²	95	55%	0.545	60%	0.602	S	S	.	*			trans	-47.6	103.8	156.2	177.9	0	0	0	0	102.7	S630 L634	S630-V632 VanDerWaalsContact C-N 3.27Å; S630-V632 PolarHBondContact O-N 3.31Å; V632-L634 VanDerWaalsContact C-N 3.29Å; V632-L634 PolarHBondContact O-N 3.35Å
633	S	24.8	Very low	28.4	Very low	99 Å²	99	100.6 Å²	100.6	69%	0.692	62%	0.62	S	S	*	*			trans	-56.8	108.6	176.5	-66.2	0	0	0	0	103.6	S631 G635	S631-S633 PolarHBondContact O-N 2.96Å; S633-G635 PolarHBondContact O-N 3.41Å
634	L	24.1	Very low	27.6	Very low	141 Å²	141	105 Å²	105	74%	0.738	66%	0.655	S	S	*	*			trans	-60.9	76.6	155.2	-82.7	142.1	0	0	0	104.2	V632 V636	V632-L634 VanDerWaalsContact C-N 3.29Å; V632-L634 PolarHBondContact O-N 3.35Å; L634-V636 PolarHBondContact O-N 3.34Å
635	G	22.9	Very low	27.1	Very low	64 Å²	64	104.3 Å²	104.3	66%	0.66	67%	0.667	S	S	*	*			trans	-75.1	78.4	-172	0	0	0	0	0	108.2	S633 G637	S633-G635 PolarHBondContact O-N 3.41Å; G635-G637 VanDerWaalsContact C-N 3.34Å; G635-G637 PolarHBondContact O-N 3.08Å
636	V	23.3	Very low	26.3	Very low	149 Å²	149	112.7 Å²	112.7	90%	0.903	69%	0.687	S	S	*	*	S	Bend	trans	-81.6	91.6	150.7	-169.3	0	0	0	0	105.2	L634	L634-V636 PolarHBondContact O-N 3.34Å
637	G	23.8	Very low	25.7	Very low	56 Å²	56	117.1 Å²	117.1	58%	0.577	72%	0.717	S	S	*	*	S	Bend	trans	107.8	143.4	169.7	0	0	0	0	0	116.2	G635	G635-G637 VanDerWaalsContact C-N 3.34Å; G635-G637 PolarHBondContact O-N 3.08Å
638	P	27.3	Very low	25	Very low	122 Å²	122	119.6 Å²	119.6	79%	0.792	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-89.7	140.6	-166.6	35.1	-33.4	0	0	0	113.1
639	T	25.9	Very low	24.5	Very low	137 Å²	137	122.7 Å²	122.7	84%	0.84	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-92	131.8	167.7	-39	0	0	0	0	109.6
640	S	24.9	Very low	24.1	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-74.8	136.6	179.7	46.9	0	0	0	0	112.2
641	V	27.7	Very low	23.7	Very low	135 Å²	135	128 Å²	128	82%	0.818	77%	0.768	S	S	*	*			trans	-111.1	126	167.3	177.8	0	0	0	0	108.8
642	L	22.4	Very low	23.5	Very low	172 Å²	172	129.7 Å²	129.7	90%	0.901	78%	0.775	S	S	*	*			trans	-76	125.5	175.2	-89.9	143.6	0	0	0	110.8
643	K	23.5	Very low	23.8	Very low	174 Å²	174	130.5 Å²	130.5	76%	0.757	78%	0.782	S	S	*	*			trans	-76.4	132.1	169.2	-77.2	176.9	175.7	175.1	0	110.5
644	S	20	Very low	23.7	Very low	123 Å²	123	131.8 Å²	131.8	86%	0.86	79%	0.791	S	S	*	*			trans	-92.3	112.7	159.2	55.7	0	0	0	0	109.4
645	T	22.7	Very low	23.6	Very low	127 Å²	127	129 Å²	129	78%	0.779	80%	0.795	S	S	*	*			trans	-119.1	134.8	164.8	-53.2	0	0	0	0	108.5
646	W	18.7	Very low	23.5	Very low	248 Å²	248	132.4 Å²	132.4	94%	0.939	80%	0.804	S	S	*	*			trans	-58.8	133.8	170.8	-69.9	-39.5	0	0	0	113
647	S	24.2	Very low	23.4	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	80%	0.795	S	S	*	*				-176.8	141.7	127.6	51.8	0	0	0	0	112.4
648	S	20.9	Very low	23.4	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	81%	0.806	S	S	*	*			trans	-52.3	137.9	-179.9	-44.1	0	0	0	0	116.6
649	Q	24.3	Very low	23.1	Very low	179 Å²	179	138.7 Å²	138.7	84%	0.836	81%	0.811	S	S	*	*				155.9	117.3	117.3	-84.5	-178.9	18.6	0	0	112.9
650	T	21.3	Very low	23.1	Very low	118 Å²	118	144 Å²	144	72%	0.724	82%	0.815	S	S	*	*			trans	59.7	127.2	132.9	-22.8	0	0	0	0	122.7
651	T	22.4	Very low	23.1	Very low	129 Å²	129	147.2 Å²	147.2	79%	0.791	82%	0.824	S	S	*	*			trans	87	120.1	151.8	31.8	0	0	0	0	122.2
652	T	20.8	Very low	23.4	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	83%	0.825	S	S	*	*			trans	-56.7	177.2	163.8	45.4	0	0	0	0	116.5
653	P	35	Very low	24	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	82%	0.823	S	S	*	*			cis	-137	173.2	-25.1	34.3	-14.7	0	0	0	115
654	S	21.3	Very low	25.1	Very low	126 Å²	126	144.4 Å²	144.4	88%	0.881	83%	0.827	S	S	*	*			trans	66.2	119.7	148.1	-59.8	0	0	0	0	120.5
655	G	23.3	Very low	27.2	Very low	81 Å²	81	141.7 Å²	141.7	84%	0.835	81%	0.808	S	S	*	*			trans	160.3	104.6	161.1	0	0	0	0	0	114
656	T	20.8	Very low	29.9	Very low	137 Å²	137	141 Å²	141	84%	0.84	80%	0.795	S	S	*	*			trans	-76.2	149.1	-174.2	-12.3	0	0	0	0	114
657	T	21.3	Very low	33.1	Very low	116 Å²	116	130.1 Å²	130.1	71%	0.712	75%	0.754	S	S	*	*			trans	85.5	126.2	147.2	-18.8	0	0	0	0	121
658	E	22.8	Very low	35.9	Very low	172 Å²	172	127 Å²	127	80%	0.804	74%	0.736	S	S	*	*			trans	123.2	89.6	140	-63.4	-164.2	169.6	0	0	118.2
659	L	21.4	Very low	38.6	Very low	171 Å²	171	121.8 Å²	121.8	90%	0.895	70%	0.699	S	S	*	*			trans	14.5	109.3	133.7	-67	154.5	0	0	0	118
660	R	25.3	Very low	41.2	Very low	248 Å²	248	117.3 Å²	117.3	94%	0.936	69%	0.688	S	S	*	*			trans	-139.5	131.6	144.9	-79	-168.2	174.3	-168.8	-2.7	111
661	N	25.7	Very low	43.5	Very low	171 Å²	171	117 Å²	117	91%	0.914	68%	0.678	S	S	*	*			trans	-43.1	135.4	178.3	-67.9	-19.5	0	0	0	113.5
662	S	33.6	Very low	46.3	Very low	120 Å²	120	113.1 Å²	113.1	84%	0.839	66%	0.655	S	S	*	*			trans	-133.9	136.6	159.2	70.5	0	0	0	0	110.7
663	E	35.7	Very low	48.9	Very low	185 Å²	185	111.1 Å²	111.1	86%	0.864	64%	0.643	S	S	*	*			trans	-78.5	160.9	-162.2	-66	164	141.9	0	0	114
664	S	45.6	Very low	50.8	Low	118 Å²	118	109.1 Å²	109.1	83%	0.825	62%	0.624	S	S	*	*			trans	-26.6	129.3	176.8	53.1	0	0	0	0	118.1
665	S	64.4	Low	53.8	Low	66 Å²	66	109.3 Å²	109.3	46%	0.462	61%	0.61	S	S	.	*			trans	-116.2	40.3	-167.8	54.8	0	0	0	0	116.3	P678	S665-P678 WeakPolarHBondContact O-CD 3.44Å; S665-P678 WeakPolarHBondContact O-CG 3.42Å
666	H	80.2	Confident	56.4	Low	111 Å²	111	105.5 Å²	105.5	51%	0.514	57%	0.571	S	S	.	*			trans	-145.9	156.9	170.8	-58.5	85.2	0	0	0	110.9	N676	H666-N676 WeakPolarHBondContact CA-O 3.41Å
667	W	84.4	Confident	59.3	Low	20 Å²	20	100.6 Å²	100.6	8%	0.076	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.8	170.4	71.7	-86.3	0	0	0	111.6	C669 N676 S677 T680 C683 R690	W667-C669 HydrophobicContact CH2-CB 4.48Å; W667-C669 HydrophobicContact CZ3-CB 4.05Å; W667-N676 HydrophobicContact CD2-CB 3.89Å; W667-N676 HydrophobicContact CG-CB 4.2Å; W667-N676 HydrophobicContact CH2-CB 4.43Å; W667-N676 WeakPolarHBondContact CH2-ND2 3.4Å; W667-N676 HydrophobicContact CZ2-CB 3.63Å; W667-N676 WeakPolarHBondContact CZ2-ND2 3.34Å; W667-N676 PolarHBondContact N-O 3.23Å; W667-N676 VanDerWaalsContact N-O 3.08Å; W667-N676 VanDerWaalsContact NE1-CB 3.32Å; W667-N676 PolarHBondContact O-N 2.92Å; W667-N676 PolarHBondContact O-ND2 3Å; W667-S677 VanDerWaalsContact CD1-O 3.31Å; W667-S677 PolarHBondContact NE1-O 2.96Å; W667-S677 VanDerWaalsContact NE1-O 3.17Å; W667-T680 PolarHBondContact NE1-O 2.97Å; W667-C683 HydrophobicContact CH2-CB 3.88Å; W667-R690 VanDerWaalsContact CD1-CZ 3.45Å; W667-R690 HydrophobicContact CD2-CB 4.24Å; W667-R690 HydrophobicContact CD2-CG 3.58Å; W667-R690 HydrophobicContact CE3-CB 4.2Å; W667-R690 HydrophobicContact CE3-CG 3.63Å; W667-R690 HydrophobicContact CG-CG 4.18Å; W667-R690 VanDerWaalsContact CG-NE 3.31Å; W667-R690 VanDerWaalsContact CH2-CA 3.42Å; W667-R690 HydrophobicContact CH2-CB 3.59Å; W667-R690 HydrophobicContact CH2-CG 3.98Å; W667-R690 HydrophobicContact CZ2-CB 3.62Å; W667-R690 HydrophobicContact CZ2-CG 3.93Å; W667-R690 HydrophobicContact CZ3-CB 3.86Å; W667-R690 HydrophobicContact CZ3-CG 3.8Å
668	A	83.1	Confident	62.1	Low	56 Å²	56	98.5 Å²	98.5	46%	0.463	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.4	176.1	0	0	0	0	0	110.6	S670 F674	A668-S670 PolarHBondContact O-N 3.49Å; A668-F674 CarbonylContact C-O 3.48Å; A668-F674 WeakPolarHBondContact CA-O 3.48Å
669	C	78.1	Confident	64.9	Low	1 Å²	1	93.7 Å²	93.7	1%	0.007	53%	0.527	C	S	.	.			trans	-65.6	123.6	173.5	178.8	0	0	0	0	110.8	W667 H671 C672 T673 F674 C683 C686	W667-C669 HydrophobicContact CH2-CB 4.48Å; W667-C669 HydrophobicContact CZ3-CB 4.05Å; C669-H671 PolarHBondContact O-N 2.86Å; C669-H671 VanDerWaalsContact O-N 3.11Å; C669-H671 PolarHBondContact SG-N 3.36Å; C669-H671 VanDerWaalsContact SG-N 3.37Å; C669-C672 VanDerWaalsContact SG-SG 3.69Å; C669-T673 WeakPolarHBondContact O-CA 3.29Å; C669-T673 PolarHBondContact O-N 3.41Å; C669-F674 PolarHBondContact N-O 2.94Å; C669-C683 HydrophobicContact CB-CB 3.89Å; C669-C683 WeakPolarHBondContact CB-SG 3.41Å; C669-C683 VanDerWaalsContact SG-SG 3.63Å; C669-C686 PolarHBondContact SG-SG 3.44Å
670	S	79.6	Confident	67.7	Low	84 Å²	84	87.4 Å²	87.4	59%	0.587	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-18.7	176.4	50.8	0	0	0	0	114.1	A668	A668-S670 PolarHBondContact O-N 3.49Å
671	H	69.4	Low	70.6	Confident	112 Å²	112	81.6 Å²	81.6	52%	0.519	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-37.6	-174	-63.9	-76.4	0	0	0	114.2	C669 L688	C669-H671 PolarHBondContact O-N 2.86Å; C669-H671 VanDerWaalsContact O-N 3.11Å; C669-H671 PolarHBondContact SG-N 3.36Å; C669-H671 VanDerWaalsContact SG-N 3.37Å; H671-L688 HydrophobicContact CB-CD1 3.58Å; H671-L688 VanDerWaalsContact CG-CD1 3.48Å
672	C	80.5	Confident	73.3	Confident	48 Å²	48	78.7 Å²	78.7	32%	0.324	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	1.5	-179.3	71.9	0	0	0	0	113.8	C669 F674 C683 C686	C669-C672 VanDerWaalsContact SG-SG 3.69Å; C672-F674 PolarHBondContact O-N 3.38Å; C672-F674 VanDerWaalsContact O-N 3.07Å; C672-C683 PolarHBondContact SG-SG 3.45Å; C672-C686 HydrophobicContact CB-CB 4.12Å; C672-C686 VanDerWaalsContact SG-SG 3.68Å
673	T	75.9	Confident	75.3	Confident	83 Å²	83	73 Å²	73	51%	0.509	43%	0.425	S	S	.	.			trans	63	5	179.6	67	0	0	0	0	116.1	P162 C669	P162-T673 HydrophobicContact CG-CG2 4.36Å; C669-T673 WeakPolarHBondContact O-CA 3.29Å; C669-T673 PolarHBondContact O-N 3.41Å
674	F	73.8	Confident	77.5	Confident	66 Å²	66	67.3 Å²	67.3	29%	0.289	40%	0.398	S	S	.	.			trans	-64	135.8	176.1	-173.2	-102.3	0	0	0	111.8	A668 C669 C672 N676 E684 M685	A668-F674 CarbonylContact C-O 3.48Å; A668-F674 WeakPolarHBondContact CA-O 3.48Å; C669-F674 PolarHBondContact N-O 2.94Å; C672-F674 PolarHBondContact O-N 3.38Å; C672-F674 VanDerWaalsContact O-N 3.07Å; F674-N676 WeakPolarHBondContact CD1-OD1 3.38Å; F674-N676 PolarHBondContact O-N 3.34Å; F674-N676 PolarHBondContact O-ND2 3.01Å; F674-E684 HydrophobicContact CD1-CB 4.34Å; F674-E684 HydrophobicContact CE1-CB 3.87Å; F674-M685 HydrophobicContact CB-CB 3.84Å; F674-M685 HydrophobicContact CB-CG 3.59Å; F674-M685 HydrophobicContact CD1-CB 4.27Å; F674-M685 HydrophobicContact CD1-CG 3.66Å; F674-M685 HydrophobicContact CD2-CB 4.37Å; F674-M685 HydrophobicContact CD2-CE 4.09Å; F674-M685 HydrophobicContact CD2-CG 3.22Å; F674-M685 HydrophobicContact CD2-SD 4.3Å; F674-M685 HydrophobicContact CE1-CE 4.29Å; F674-M685 HydrophobicContact CE1-CG 4.1Å; F674-M685 HydrophobicContact CE2-CE 3.56Å; F674-M685 HydrophobicContact CE2-CG 3.71Å; F674-M685 HydrophobicContact CE2-SD 4.34Å; F674-M685 HydrophobicContact CG-CB 3.92Å; F674-M685 HydrophobicContact CG-CG 3.18Å; F674-M685 HydrophobicContact CZ-CE 3.67Å; F674-M685 HydrophobicContact CZ-CG 4.12Å
675	H	84.9	Confident	78.7	Confident	130 Å²	130	64.9 Å²	64.9	60%	0.602	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	106.2	177.5	-73	86	0	0	0	110.1
676	N	77.7	Confident	79.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	154.7	-178.1	-59.5	-77.7	0	0	0	112	H666 W667 F674 C683 E684	H666-N676 WeakPolarHBondContact CA-O 3.41Å; W667-N676 HydrophobicContact CD2-CB 3.89Å; W667-N676 HydrophobicContact CG-CB 4.2Å; W667-N676 HydrophobicContact CH2-CB 4.43Å; W667-N676 WeakPolarHBondContact CH2-ND2 3.4Å; W667-N676 HydrophobicContact CZ2-CB 3.63Å; W667-N676 WeakPolarHBondContact CZ2-ND2 3.34Å; W667-N676 PolarHBondContact N-O 3.23Å; W667-N676 VanDerWaalsContact N-O 3.08Å; W667-N676 VanDerWaalsContact NE1-CB 3.32Å; W667-N676 PolarHBondContact O-N 2.92Å; W667-N676 PolarHBondContact O-ND2 3Å; F674-N676 WeakPolarHBondContact CD1-OD1 3.38Å; F674-N676 PolarHBondContact O-N 3.34Å; F674-N676 PolarHBondContact O-ND2 3.01Å; N676-C683 WeakPolarHBondContact OD1-CA 3.45Å; N676-C683 PolarHBondContact OD1-SG 3.39Å; N676-C683 VanDerWaalsContact OD1-SG 3.34Å; N676-E684 PolarHBondContact OD1-N 3.23Å
677	S	82.8	Confident	79.4	Confident	35 Å²	35	66.1 Å²	66.1	25%	0.245	37%	0.371	C	S	.	.			trans	-61.3	145.9	169.6	-58.5	0	0	0	0	111.1	W667 G679 T680 E684	W667-S677 VanDerWaalsContact CD1-O 3.31Å; W667-S677 PolarHBondContact NE1-O 2.96Å; W667-S677 VanDerWaalsContact NE1-O 3.17Å; S677-G679 PolarHBondContact O-N 3.3Å; S677-G679 VanDerWaalsContact O-N 3.1Å; S677-T680 PolarHBondContact O-N 3.22Å; S677-T680 PolarHBondContact O-OG1 3.42Å; S677-E684 PolarHBondContact OG-OE1 2.9Å
678	P	79.8	Confident	79.2	Confident	71 Å²	71	66.8 Å²	66.8	46%	0.461	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.5	-174.6	24.1	-30.3	0	0	0	114.1	S665 R690	S665-P678 WeakPolarHBondContact O-CD 3.44Å; S665-P678 WeakPolarHBondContact O-CG 3.42Å; P678-R690 PolarHBondContact O-NH1 2.99Å
679	G	80.7	Confident	79	Confident	72 Å²	72	67.2 Å²	67.2	74%	0.742	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.2	178.1	0	0	0	0	0	115.4	S677	S677-G679 PolarHBondContact O-N 3.3Å; S677-G679 VanDerWaalsContact O-N 3.1Å
680	T	81.2	Confident	78.9	Confident	39 Å²	39	72 Å²	72	24%	0.239	39%	0.392	C	S	.	.			trans	-96.6	125.2	173.2	59.3	0	0	0	0	110.2	W667 S677 E682 E684	W667-T680 PolarHBondContact NE1-O 2.97Å; S677-T680 PolarHBondContact O-N 3.22Å; S677-T680 PolarHBondContact O-OG1 3.42Å; T680-E682 WeakPolarHBondContact CB-O 3.32Å; T680-E682 PolarHBondContact OG1-O 3.11Å; T680-E684 HydrophobicContact CG2-CG 4.22Å
681	D	84.8	Confident	78.6	Confident	126 Å²	126	79 Å²	79	67%	0.674	41%	0.405	S	S	*	.	S	Bend	trans	-86.3	-11.4	175.7	-72.4	-26.6	0	0	0	112.6	P689 R690	D681-P689 CarbonylContact O-C 3.57Å; D681-P689 WeakPolarHBondContact O-CA 3.22Å; D681-R690 WeakPolarHBondContact O-CB 3.23Å; D681-R690 PolarHBondContact O-N 3.45Å
682	E	82.4	Confident	77.4	Confident	110 Å²	110	79.5 Å²	79.5	51%	0.514	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-118.6	145.6	172.1	-66.1	179.5	173.7	0	0	109.4	T680 E684 L688	T680-E682 WeakPolarHBondContact CB-O 3.32Å; T680-E682 PolarHBondContact OG1-O 3.11Å; E682-E684 PolarHBondContact O-N 2.83Å; E682-L688 CarbonylContact C-O 3.59Å
683	C	76.7	Confident	77.3	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	45%	0.447	C	S	.	.			trans	-66	127.3	174.8	177.5	0	0	0	0	110.1	W667 C669 C672 N676 M685 C686 R687 L688	W667-C683 HydrophobicContact CH2-CB 3.88Å; C669-C683 HydrophobicContact CB-CB 3.89Å; C669-C683 WeakPolarHBondContact CB-SG 3.41Å; C669-C683 VanDerWaalsContact SG-SG 3.63Å; C672-C683 PolarHBondContact SG-SG 3.45Å; N676-C683 WeakPolarHBondContact OD1-CA 3.45Å; N676-C683 PolarHBondContact OD1-SG 3.39Å; N676-C683 VanDerWaalsContact OD1-SG 3.34Å; C683-M685 PolarHBondContact O-N 3.49Å; C683-M685 PolarHBondContact SG-N 2.99Å; C683-M685 VanDerWaalsContact SG-N 3.43Å; C683-C686 VanDerWaalsContact CB-SG 3.52Å; C683-C686 VanDerWaalsContact SG-SG 3.66Å; C683-R687 WeakPolarHBondContact O-CA 3.47Å; C683-R687 PolarHBondContact O-N 3.43Å; C683-L688 WeakPolarHBondContact CB-O 3.24Å; C683-L688 PolarHBondContact N-O 3.17Å
684	E	80.9	Confident	77.3	Confident	66 Å²	66	81 Å²	81	31%	0.308	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.7	-179.9	-63	175	-163.6	0	0	111.9	V343 F674 N676 S677 T680 E682	V343-E684 WeakPolarHBondContact CG2-O 3.45Å; F674-E684 HydrophobicContact CD1-CB 4.34Å; F674-E684 HydrophobicContact CE1-CB 3.87Å; N676-E684 PolarHBondContact OD1-N 3.23Å; S677-E684 PolarHBondContact OG-OE1 2.9Å; T680-E684 HydrophobicContact CG2-CG 4.22Å; E682-E684 PolarHBondContact O-N 2.83Å
685	M	70.4	Confident	77.5	Confident	67 Å²	67	81.8 Å²	81.8	33%	0.33	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-57.2	179.8	-77.2	-60	137.4	0	0	114.6	V343 F674 C683	V343-M685 HydrophobicContact CB-CE 4.46Å; V343-M685 HydrophobicContact CG2-CE 3.29Å; V343-M685 HydrophobicContact CG2-SD 3.99Å; F674-M685 HydrophobicContact CB-CB 3.84Å; F674-M685 HydrophobicContact CB-CG 3.59Å; F674-M685 HydrophobicContact CD1-CB 4.27Å; F674-M685 HydrophobicContact CD1-CG 3.66Å; F674-M685 HydrophobicContact CD2-CB 4.37Å; F674-M685 HydrophobicContact CD2-CE 4.09Å; F674-M685 HydrophobicContact CD2-CG 3.22Å; F674-M685 HydrophobicContact CD2-SD 4.3Å; F674-M685 HydrophobicContact CE1-CE 4.29Å; F674-M685 HydrophobicContact CE1-CG 4.1Å; F674-M685 HydrophobicContact CE2-CE 3.56Å; F674-M685 HydrophobicContact CE2-CG 3.71Å; F674-M685 HydrophobicContact CE2-SD 4.34Å; F674-M685 HydrophobicContact CG-CB 3.92Å; F674-M685 HydrophobicContact CG-CG 3.18Å; F674-M685 HydrophobicContact CZ-CE 3.67Å; F674-M685 HydrophobicContact CZ-CG 4.12Å; C683-M685 PolarHBondContact O-N 3.49Å; C683-M685 PolarHBondContact SG-N 2.99Å; C683-M685 VanDerWaalsContact SG-N 3.43Å
686	C	80.1	Confident	77.1	Confident	43 Å²	43	79 Å²	79	29%	0.291	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.2	-175.7	64.6	0	0	0	0	113.9	C669 C672 C683 L688	C669-C686 PolarHBondContact SG-SG 3.44Å; C672-C686 HydrophobicContact CB-CB 4.12Å; C672-C686 VanDerWaalsContact SG-SG 3.68Å; C683-C686 VanDerWaalsContact CB-SG 3.52Å; C683-C686 VanDerWaalsContact SG-SG 3.66Å; C686-L688 HydrophobicContact CB-CD1 4.28Å; C686-L688 HydrophobicContact CB-CG 4.26Å; C686-L688 PolarHBondContact O-N 3.43Å; C686-L688 VanDerWaalsContact SG-CB 3.57Å
687	R	80.6	Confident	77.1	Confident	160 Å²	160	83.9 Å²	83.9	60%	0.604	47%	0.471	S	S	*	.			trans	55.1	19.4	-175.4	-53.5	-62.3	-175.7	130.9	1	113.8	C683	C683-R687 WeakPolarHBondContact O-CA 3.47Å; C683-R687 PolarHBondContact O-N 3.43Å
688	L	79	Confident	76.7	Confident	33 Å²	33	87.2 Å²	87.2	17%	0.173	49%	0.486	C	S	.	.			trans	-87.9	143.6	175	-65.6	173.3	0	0	0	110.5	K443 H671 E682 C683 C686	K443-L688 HydrophobicContact CB-CD2 4.21Å; H671-L688 HydrophobicContact CB-CD1 3.58Å; H671-L688 VanDerWaalsContact CG-CD1 3.48Å; E682-L688 CarbonylContact C-O 3.59Å; C683-L688 WeakPolarHBondContact CB-O 3.24Å; C683-L688 PolarHBondContact N-O 3.17Å; C686-L688 HydrophobicContact CB-CD1 4.28Å; C686-L688 HydrophobicContact CB-CG 4.26Å; C686-L688 PolarHBondContact O-N 3.43Å; C686-L688 VanDerWaalsContact SG-CB 3.57Å
689	P	79.2	Confident	76.5	Confident	66 Å²	66	88.4 Å²	88.4	43%	0.429	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-62.4	152.1	-178.1	24	-32.4	0	0	0	112.8	D681 R691	D681-P689 CarbonylContact O-C 3.57Å; D681-P689 WeakPolarHBondContact O-CA 3.22Å; P689-R691 VanDerWaalsContact C-N 3.26Å; P689-R691 PolarHBondContact O-N 2.72Å
690	R	77.4	Confident	76.1	Confident	102 Å²	102	89.6 Å²	89.6	39%	0.385	47%	0.468	S	S	.	.	S	Bend	trans	-61.8	-30.5	-179.3	178.2	171.5	-175.8	179.3	1.1	113.9	W667 P678 D681	W667-R690 VanDerWaalsContact CD1-CZ 3.45Å; W667-R690 HydrophobicContact CD2-CB 4.24Å; W667-R690 HydrophobicContact CD2-CG 3.58Å; W667-R690 HydrophobicContact CE3-CB 4.2Å; W667-R690 HydrophobicContact CE3-CG 3.63Å; W667-R690 HydrophobicContact CG-CG 4.18Å; W667-R690 VanDerWaalsContact CG-NE 3.31Å; W667-R690 VanDerWaalsContact CH2-CA 3.42Å; W667-R690 HydrophobicContact CH2-CB 3.59Å; W667-R690 HydrophobicContact CH2-CG 3.98Å; W667-R690 HydrophobicContact CZ2-CB 3.62Å; W667-R690 HydrophobicContact CZ2-CG 3.93Å; W667-R690 HydrophobicContact CZ3-CB 3.86Å; W667-R690 HydrophobicContact CZ3-CG 3.8Å; P678-R690 PolarHBondContact O-NH1 2.99Å; D681-R690 WeakPolarHBondContact O-CB 3.23Å; D681-R690 PolarHBondContact O-N 3.45Å
691	R	72.4	Confident	75.7	Confident	229 Å²	229	93.8 Å²	93.8	86%	0.864	49%	0.487	S	S	*	.			trans	-117.1	104.5	172	-67.2	-171.5	-176.7	-158.9	1.7	108.2	P689	P689-R691 VanDerWaalsContact C-N 3.26Å; P689-R691 PolarHBondContact O-N 2.72Å
692	G	44.8	Very low	74.9	Confident	124 Å²	124	90.9 Å²	90.9	100%	1.278	47%	0.471	S	S	*	.			trans	-82.9	0	160	0	0	0	0	0	111

Retrieved 692 of 692 residues in 140.5 ms (Link to these results)

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