G4LX25_SCHMA Loading...

RGS domain-containing protein

AlphaFold DB , UniProt , Accession G4LX25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 306 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	42.9	Very low	45.2	Very low	242 Å²	242	167.7 Å²	167.7	100%	1.192	82%	0.815	S	S	*	*				0	113.5	0	-75.1	167.1	148.4	0	0	108.9
2	K	40.2	Very low	47.2	Very low	212 Å²	212	155.9 Å²	155.9	92%	0.922	76%	0.758	S	S	*	*			trans	-95.4	103.7	-177.3	-74.3	-179.1	177.5	177.4	0	110	K4	K2-K4 PolarHBondContact O-N 3.27Å
3	T	41.6	Very low	49.2	Very low	140 Å²	140	145.3 Å²	145.3	86%	0.859	71%	0.71	S	S	*	*			trans	-77.7	107.6	172.7	28.6	0	0	0	0	110.2	R5	T3-R5 PolarHBondContact O-N 3.38Å
4	K	41.2	Very low	50.7	Low	207 Å²	207	140.2 Å²	140.2	90%	0.9	68%	0.684	S	S	*	*			trans	-74.1	100.7	170.6	-79.5	-177.8	175.4	178.2	0	109.5	K2 S6	K2-K4 PolarHBondContact O-N 3.27Å; K4-S6 PolarHBondContact O-N 3.14Å; K4-S6 VanDerWaalsContact O-N 3.15Å
5	R	37.6	Very low	51.8	Low	224 Å²	224	137.7 Å²	137.7	85%	0.845	68%	0.683	S	S	*	*			trans	-70.8	98.7	165.9	-94.4	-178.5	171.4	168.5	-0	109.8	T3 T7	T3-R5 PolarHBondContact O-N 3.38Å; R5-T7 PolarHBondContact O-N 3.44Å
6	S	37.5	Very low	52.4	Low	112 Å²	112	132.2 Å²	132.2	78%	0.783	66%	0.656	S	S	*	*			trans	-83.9	88.9	164.3	165.7	0	0	0	0	108.8	K4	K4-S6 PolarHBondContact O-N 3.14Å; K4-S6 VanDerWaalsContact O-N 3.15Å
7	T	43.4	Very low	52.8	Low	104 Å²	104	132.2 Å²	132.2	64%	0.638	66%	0.659	S	S	*	*			trans	-94.1	97.9	164.5	56.6	0	0	0	0	107.6	R5 R9	R5-T7 PolarHBondContact O-N 3.44Å; T7-R9 PolarHBondContact O-N 3.22Å
8	S	42.4	Very low	53.3	Low	110 Å²	110	134.3 Å²	134.3	77%	0.769	67%	0.673	S	S	*	*			trans	-73.2	77.9	165.1	61.2	0	0	0	0	107.5	V10	S8-V10 PolarHBondContact O-N 3.05Å; S8-V10 VanDerWaalsContact O-N 3.12Å
9	R	50.6	Low	53.9	Low	213 Å²	213	129 Å²	129	80%	0.804	65%	0.646	S	S	*	*			trans	-55.6	119.2	167	-75	-172.7	-179.2	-170.9	-0.9	107.1	T7 R11	T7-R9 PolarHBondContact O-N 3.22Å; R9-R11 PolarHBondContact O-N 3.12Å
10	V	54.9	Low	54.8	Low	82 Å²	82	123.6 Å²	123.6	50%	0.497	62%	0.62	S	S	.	*			trans	-54.3	111.7	166.9	-180	0	0	0	0	105.8	S8 N12 S13 E32	S8-V10 PolarHBondContact O-N 3.05Å; S8-V10 VanDerWaalsContact O-N 3.12Å; V10-N12 PolarHBondContact O-N 2.81Å; V10-N12 VanDerWaalsContact O-N 3.15Å; V10-S13 VanDerWaalsContact CG1-OG 3.25Å; V10-S13 WeakPolarHBondContact CG1-OG 3.1Å; V10-E32 VanDerWaalsContact CG1-CD 3.42Å; V10-E32 WeakPolarHBondContact CG1-OE1 3.48Å; V10-E32 WeakPolarHBondContact CG1-OE2 3.24Å
11	R	64.6	Low	55.8	Low	199 Å²	199	120 Å²	120	75%	0.751	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-11.8	-163.8	-97.4	-175.5	178.3	-178	-2.2	114	R9	R9-R11 PolarHBondContact O-N 3.12Å
12	N	69.4	Low	57.4	Low	26 Å²	26	109.1 Å²	109.1	14%	0.139	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-3.9	-158.7	-55.7	-7.6	0	0	0	113	V10 H22 V23 N70 E81	V10-N12 PolarHBondContact O-N 2.81Å; V10-N12 VanDerWaalsContact O-N 3.15Å; N12-H22 WeakPolarHBondContact O-CA 3.33Å; N12-H22 PolarHBondContact O-CD2 2.88Å; N12-V23 PolarHBondContact O-N 2.62Å; N12-N70 PolarHBondContact ND2-ND2 2.54Å; N12-E81 PolarHBondContact ND2-OE2 2.55Å; N12-E81 PolarHBondContact OD1-OE2 3.25Å
13	S	72.8	Confident	59	Low	18 Å²	18	102.2 Å²	102.2	13%	0.126	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138	-177.8	59.3	0	0	0	0	111.1	V10 R21 E32	V10-S13 VanDerWaalsContact CG1-OG 3.25Å; V10-S13 WeakPolarHBondContact CG1-OG 3.1Å; S13-R21 CarbonylContact C-O 3.45Å; S13-R21 WeakPolarHBondContact CA-O 3.37Å; S13-E32 PolarHBondContact OG-OE2 3.36Å; S13-E32 VanDerWaalsContact OG-OE2 3.09Å
14	E	70.8	Confident	60.6	Low	74 Å²	74	98.8 Å²	98.8	35%	0.346	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.2	177.6	58.2	-176.7	176.6	0	0	109.6	I16 R21 V23	E14-I16 HydrophobicContact CG-CD1 3.83Å; E14-I16 HydrophobicContact CG-CG1 3.96Å; E14-I16 PolarHBondContact O-N 2.94Å; E14-I16 WeakPolarHBondContact OE1-CD1 3.41Å; E14-R21 PolarHBondContact N-O 2.82Å; E14-R21 PolarHBondContact O-N 2.83Å; E14-V23 HydrophobicContact CB-CG2 4.04Å; E14-V23 HydrophobicContact CG-CG2 3.82Å
15	P	66.7	Low	62.4	Low	103 Å²	103	91.5 Å²	91.5	67%	0.669	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.4	169.8	29.6	-31	0	0	0	108.3	I19	P15-I19 WeakPolarHBondContact CA-O 3.27Å
16	I	61.2	Low	64.5	Low	49 Å²	49	87.5 Å²	87.5	25%	0.251	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121	169.8	-64.1	167	0	0	0	105.9	E14 D18 I19 R21	E14-I16 HydrophobicContact CG-CD1 3.83Å; E14-I16 HydrophobicContact CG-CG1 3.96Å; E14-I16 PolarHBondContact O-N 2.94Å; E14-I16 WeakPolarHBondContact OE1-CD1 3.41Å; I16-D18 PolarHBondContact O-N 3.12Å; I16-I19 PolarHBondContact N-O 2.92Å; I16-I19 PolarHBondContact O-N 2.7Å; I16-I19 VanDerWaalsContact O-N 3.1Å; I16-I19 VanDerWaalsContact O-O 3.06Å; I16-R21 HydrophobicContact CB-CG 4.46Å; I16-R21 HydrophobicContact CD1-CB 4.21Å
17	D	59.4	Low	66.7	Low	132 Å²	132	83.3 Å²	83.3	71%	0.706	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	49.1	-179.6	-49	-36.6	0	0	0	113	I19	D17-I19 WeakPolarHBondContact O-CG1 3.2Å; D17-I19 PolarHBondContact O-N 3.3Å
18	D	62.3	Low	68.7	Low	171 Å²	171	81 Å²	81	91%	0.914	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	10.1	-176.5	-58.9	-37.7	0	0	0	115.6	I16	I16-D18 PolarHBondContact O-N 3.12Å
19	I	65.3	Low	70.8	Confident	33 Å²	33	75.9 Å²	75.9	17%	0.169	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	-178.5	-58.6	168.2	0	0	0	110.4	P15 I16 D17 R21 Y28 V159 L162	P15-I19 WeakPolarHBondContact CA-O 3.27Å; I16-I19 PolarHBondContact N-O 2.92Å; I16-I19 PolarHBondContact O-N 2.7Å; I16-I19 VanDerWaalsContact O-N 3.1Å; I16-I19 VanDerWaalsContact O-O 3.06Å; D17-I19 WeakPolarHBondContact O-CG1 3.2Å; D17-I19 PolarHBondContact O-N 3.3Å; I19-R21 PolarHBondContact O-N 2.98Å; I19-Y28 HydrophobicContact CB-CD1 4.47Å; I19-Y28 HydrophobicContact CB-CE1 4.22Å; I19-Y28 HydrophobicContact CD1-CE1 3.88Å; I19-Y28 HydrophobicContact CG2-CD1 3.35Å; I19-Y28 HydrophobicContact CG2-CE1 3.5Å; I19-V159 HydrophobicContact CD1-CG1 3.93Å; I19-V159 HydrophobicContact CG1-CG1 4.4Å; I19-L162 HydrophobicContact CG2-CB 4.23Å; I19-L162 HydrophobicContact CG2-CD1 3.27Å; I19-L162 HydrophobicContact CG2-CD2 3.82Å; I19-L162 HydrophobicContact CG2-CG 3.95Å
20	L	71.8	Confident	72.5	Confident	21 Å²	21	66.4 Å²	66.4	11%	0.11	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.1	177.6	-163.7	67.1	0	0	0	110.8	L29 L162 V165	L20-L29 HydrophobicContact CD2-CB 4.45Å; L20-L29 HydrophobicContact CD2-CD2 3.8Å; L20-L29 HydrophobicContact CD2-CG 4.28Å; L20-L29 HydrophobicContact CG-CB 4.35Å; L20-L29 HydrophobicContact CG-CD2 4.13Å; L20-L29 PolarHBondContact O-N 3.1Å; L20-L162 HydrophobicContact CB-CD2 3.98Å; L20-L162 WeakPolarHBondContact O-CD2 3.49Å; L20-V165 HydrophobicContact CD2-CB 3.99Å; L20-V165 HydrophobicContact CD2-CG1 3.52Å; L20-V165 HydrophobicContact CD2-CG2 4.3Å
21	R	75.7	Confident	74.2	Confident	49 Å²	49	63.8 Å²	63.8	19%	0.185	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.4	176.9	-67.5	-174.6	-176.8	-100.8	1.6	111.2	S13 E14 I16 I19 K26 Q27 Y28	S13-R21 CarbonylContact C-O 3.45Å; S13-R21 WeakPolarHBondContact CA-O 3.37Å; E14-R21 PolarHBondContact N-O 2.82Å; E14-R21 PolarHBondContact O-N 2.83Å; I16-R21 HydrophobicContact CB-CG 4.46Å; I16-R21 HydrophobicContact CD1-CB 4.21Å; I19-R21 PolarHBondContact O-N 2.98Å; R21-K26 WeakPolarHBondContact CD-O 3.43Å; R21-K26 PolarHBondContact NH1-O 2.84Å; R21-Q27 CarbonylContact C-O 3.48Å; R21-Q27 VanDerWaalsContact CA-O 3.26Å; R21-Q27 WeakPolarHBondContact CA-O 3.31Å; R21-Y28 HydrophobicContact CG-CD1 4.36Å; R21-Y28 PolarHBondContact NH2-OH 3.4Å; R21-Y28 VanDerWaalsContact NH2-OH 3.15Å
22	H	76	Confident	75.4	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.056	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.1	173.4	-176.2	-108.3	0	0	0	110.7	N12 G24 T25 K26 Q27 L74 E81	N12-H22 WeakPolarHBondContact O-CA 3.33Å; N12-H22 PolarHBondContact O-CD2 2.88Å; H22-G24 PolarHBondContact O-N 2.94Å; H22-G24 VanDerWaalsContact O-N 3.13Å; H22-T25 PolarHBondContact ND1-N 3.36Å; H22-T25 PolarHBondContact ND1-OG1 2.98Å; H22-T25 VanDerWaalsContact ND1-OG1 3.1Å; H22-T25 PolarHBondContact O-N 3.05Å; H22-K26 WeakPolarHBondContact O-CA 3.26Å; H22-K26 PolarHBondContact O-N 3.01Å; H22-Q27 PolarHBondContact N-O 3.46Å; H22-L74 HydrophobicContact CB-CD1 4.33Å; H22-L74 HydrophobicContact CB-CD2 3.69Å; H22-E81 IonicContact CE1-OE1 3.46Å; H22-E81 PolarHBondContact CE1-OE1 3.47Å; H22-E81 IonicContact NE2-OE1 3.12Å; H22-E81 PolarHBondContact NE2-OE1 2.82Å; H22-E81 VanDerWaalsContact NE2-OE1 3.12Å
23	V	74.2	Confident	76.5	Confident	68 Å²	68	55.8 Å²	55.8	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.7	-171.4	176.5	0	0	0	0	112.1	N12 E14	N12-V23 PolarHBondContact O-N 2.62Å; E14-V23 HydrophobicContact CB-CG2 4.04Å; E14-V23 HydrophobicContact CG-CG2 3.82Å
24	G	73.9	Confident	77.5	Confident	67 Å²	67	58.3 Å²	58.3	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-34.2	-176.9	0	0	0	0	0	115	H22	H22-G24 PolarHBondContact O-N 2.94Å; H22-G24 VanDerWaalsContact O-N 3.13Å
25	T	80.9	Confident	78.7	Confident	54 Å²	54	54.8 Å²	54.8	33%	0.331	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-11.9	-172.6	57.9	0	0	0	0	113.2	H22 Q27 L74	H22-T25 PolarHBondContact ND1-N 3.36Å; H22-T25 PolarHBondContact ND1-OG1 2.98Å; H22-T25 VanDerWaalsContact ND1-OG1 3.1Å; H22-T25 PolarHBondContact O-N 3.05Å; T25-Q27 PolarHBondContact O-N 3.28Å; T25-Q27 VanDerWaalsContact O-N 3.07Å; T25-Q27 PolarHBondContact OG1-OE1 3.18Å; T25-L74 HydrophobicContact CG2-CD1 4.48Å
26	K	80.6	Confident	80.1	Confident	141 Å²	141	50.2 Å²	50.2	61%	0.613	27%	0.269	S	S	*	.			trans	56.6	14.4	-172.1	-56	-178.5	177.6	-175.7	0	114.1	R21 H22	R21-K26 WeakPolarHBondContact CD-O 3.43Å; R21-K26 PolarHBondContact NH1-O 2.84Å; H22-K26 WeakPolarHBondContact O-CA 3.26Å; H22-K26 PolarHBondContact O-N 3.01Å
27	Q	84.2	Confident	81.8	Confident	24 Å²	24	47.9 Å²	47.9	11%	0.112	26%	0.257	C	S	.	.			trans	-79.5	153.1	176.6	-67.2	174.2	-46.2	0	0	110.4	R21 H22 T25 L29 L74 E75 D76	R21-Q27 CarbonylContact C-O 3.48Å; R21-Q27 VanDerWaalsContact CA-O 3.26Å; R21-Q27 WeakPolarHBondContact CA-O 3.31Å; H22-Q27 PolarHBondContact N-O 3.46Å; T25-Q27 PolarHBondContact O-N 3.28Å; T25-Q27 VanDerWaalsContact O-N 3.07Å; T25-Q27 PolarHBondContact OG1-OE1 3.18Å; Q27-L29 PolarHBondContact O-N 3.38Å; Q27-L74 HydrophobicContact CB-CB 4.27Å; Q27-L74 VanDerWaalsContact OE1-CD1 3.32Å; Q27-E75 WeakPolarHBondContact CA-OE1 3.49Å; Q27-E75 HydrophobicContact CB-CG 4.33Å; Q27-D76 PolarHBondContact NE2-OD1 3.41Å; Q27-D76 PolarHBondContact NE2-OD2 2.94Å; Q27-D76 PolarHBondContact OE1-OD1 3.33Å
28	Y	84.7	Confident	83.5	Confident	56 Å²	56	41.6 Å²	41.6	22%	0.22	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-57.3	133	170.3	-64.1	-55.7	0	0	0	111.2	I19 R21 L74 E75 V159 L162	I19-Y28 HydrophobicContact CB-CD1 4.47Å; I19-Y28 HydrophobicContact CB-CE1 4.22Å; I19-Y28 HydrophobicContact CD1-CE1 3.88Å; I19-Y28 HydrophobicContact CG2-CD1 3.35Å; I19-Y28 HydrophobicContact CG2-CE1 3.5Å; R21-Y28 HydrophobicContact CG-CD1 4.36Å; R21-Y28 PolarHBondContact NH2-OH 3.4Å; R21-Y28 VanDerWaalsContact NH2-OH 3.15Å; Y28-L74 WeakPolarHBondContact O-CA 3.49Å; Y28-E75 HydrophobicContact CD2-CG 3.96Å; Y28-E75 WeakPolarHBondContact CD2-OE1 3.3Å; Y28-E75 HydrophobicContact CG-CG 4.41Å; Y28-E75 PolarHBondContact N-OE1 3.39Å; Y28-V159 HydrophobicContact CE2-CG2 4.38Å; Y28-L162 HydrophobicContact CD1-CD1 3.69Å; Y28-L162 HydrophobicContact CE1-CD1 4.44Å; Y28-L162 HydrophobicContact CG-CD1 3.95Å
29	L	86.2	Confident	85.2	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.194	C	C	.	.			trans	-103.4	99	177.6	178.3	60.9	0	0	0	109.9	L20 Q27 L31 E32 L74 L162	L20-L29 HydrophobicContact CD2-CB 4.45Å; L20-L29 HydrophobicContact CD2-CD2 3.8Å; L20-L29 HydrophobicContact CD2-CG 4.28Å; L20-L29 HydrophobicContact CG-CB 4.35Å; L20-L29 HydrophobicContact CG-CD2 4.13Å; L20-L29 PolarHBondContact O-N 3.1Å; Q27-L29 PolarHBondContact O-N 3.38Å; L29-L31 WeakPolarHBondContact CD1-O 3.44Å; L29-E32 HydrophobicContact CD1-CB 4.49Å; L29-E32 HydrophobicContact CD2-CB 4.12Å; L29-E32 HydrophobicContact CG-CB 4.49Å; L29-L74 HydrophobicContact CB-CD2 4.3Å; L29-L74 HydrophobicContact CD1-CD2 3.64Å; L29-L162 WeakPolarHBondContact O-CD2 3.39Å
30	F	87.5	Confident	86.6	Confident	13 Å²	13	40.1 Å²	40.1	6%	0.057	20%	0.203	C	C	.	.			trans	-76.2	-33.3	-175	-66.8	-99.6	0	0	0	112.9	L73 E75 L144 L156 D158 A161	F30-L73 PolarHBondContact N-O 2.97Å; F30-E75 HydrophobicContact CE2-CB 4.44Å; F30-E75 HydrophobicContact CE2-CG 3.82Å; F30-E75 HydrophobicContact CZ-CG 4.41Å; F30-L144 HydrophobicContact CB-CD1 4.38Å; F30-L156 HydrophobicContact CB-CD1 4.09Å; F30-L156 HydrophobicContact CD1-CB 4.22Å; F30-L156 HydrophobicContact CD1-CD1 4.4Å; F30-L156 HydrophobicContact CD2-CB 3.97Å; F30-L156 HydrophobicContact CD2-CD1 3.92Å; F30-L156 HydrophobicContact CE1-CB 3.94Å; F30-L156 HydrophobicContact CE2-CB 3.7Å; F30-L156 HydrophobicContact CE2-CD1 4.5Å; F30-L156 HydrophobicContact CG-CB 4.24Å; F30-L156 HydrophobicContact CG-CD1 3.88Å; F30-L156 HydrophobicContact CZ-CB 3.69Å; F30-L156 WeakPolarHBondContact CZ-O 3.37Å; F30-D158 VanDerWaalsContact CE1-O 3.29Å; F30-D158 WeakPolarHBondContact CE1-O 3.44Å; F30-A161 HydrophobicContact CD1-CB 3.95Å
31	L	89.9	Confident	87.8	Confident	28 Å²	28	40.4 Å²	40.4	15%	0.147	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	135.1	177.8	178.1	66	0	0	0	110.2	L29 T33 G72 L73 K140 V141 L144	L29-L31 WeakPolarHBondContact CD1-O 3.44Å; L31-T33 HydrophobicContact CD2-CG2 4.46Å; L31-G72 CarbonylContact O-C 3.56Å; L31-G72 WeakPolarHBondContact O-CA 3.36Å; L31-L73 HydrophobicContact CB-CB 4.26Å; L31-L73 HydrophobicContact CB-CD1 4.38Å; L31-L73 HydrophobicContact CD2-CD1 4.32Å; L31-L73 PolarHBondContact O-N 2.78Å; L31-K140 HydrophobicContact CD2-CB 4.01Å; L31-V141 HydrophobicContact CD2-CG2 3.76Å; L31-L144 HydrophobicContact CB-CD1 3.55Å; L31-L144 HydrophobicContact CD2-CD1 3.94Å; L31-L144 HydrophobicContact CG-CD1 4.36Å
32	E	90.4	Very high	88.8	Confident	44 Å²	44	41.2 Å²	41.2	21%	0.206	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.4	170.3	-168.6	169.4	-174.5	0	0	109.4	V10 S13 L29 N70 A71	V10-E32 VanDerWaalsContact CG1-CD 3.42Å; V10-E32 WeakPolarHBondContact CG1-OE1 3.48Å; V10-E32 WeakPolarHBondContact CG1-OE2 3.24Å; S13-E32 PolarHBondContact OG-OE2 3.36Å; S13-E32 VanDerWaalsContact OG-OE2 3.09Å; L29-E32 HydrophobicContact CD1-CB 4.49Å; L29-E32 HydrophobicContact CD2-CB 4.12Å; L29-E32 HydrophobicContact CG-CB 4.49Å; E32-N70 WeakPolarHBondContact CG-OD1 3.4Å; E32-N70 PolarHBondContact OE1-ND2 2.73Å; E32-A71 WeakPolarHBondContact CA-O 3.41Å
33	T	92.4	Very high	89.7	Confident	13 Å²	13	41.2 Å²	41.2	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.9	-177.7	-162.8	0	0	0	0	112.9	L31 I35 A71 N137 V141	L31-T33 HydrophobicContact CD2-CG2 4.46Å; T33-I35 HydrophobicContact CG2-CD1 3.79Å; T33-I35 HydrophobicContact CG2-CG1 3.8Å; T33-I35 PolarHBondContact O-N 2.98Å; T33-A71 PolarHBondContact N-O 3.49Å; T33-A71 WeakPolarHBondContact O-CB 3.17Å; T33-A71 PolarHBondContact O-N 2.96Å; T33-N137 PolarHBondContact OG1-ND2 2.84Å; T33-V141 HydrophobicContact CG2-CG2 3.93Å
34	H	94.1	Very high	90.6	Very high	71 Å²	71	40.8 Å²	40.8	33%	0.329	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.4	177	171.2	-82.4	0	0	0	110.9	C36 H68 C69	H34-C36 PolarHBondContact CE1-SG 3.2Å; H34-H68 AromaticContact CE1-ND1 3.45Å; H34-H68 PolarHBondContact CE1-ND1 3.35Å; H34-H68 AromaticContact NE2-CG 3.92Å; H34-H68 AromaticContact NE2-ND1 3.02Å; H34-H68 PolarHBondContact NE2-ND1 2.87Å; H34-C69 WeakPolarHBondContact CA-O 3.33Å
35	I	95.5	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134	179.4	-60.7	-172.9	0	0	0	109.4	T33 C69 A71 F78 F113 Y130 K131 V141	T33-I35 HydrophobicContact CG2-CD1 3.79Å; T33-I35 HydrophobicContact CG2-CG1 3.8Å; T33-I35 PolarHBondContact O-N 2.98Å; I35-C69 PolarHBondContact N-O 3.38Å; I35-C69 CarbonylContact O-C 3.59Å; I35-C69 WeakPolarHBondContact O-CA 3.45Å; I35-C69 WeakPolarHBondContact O-CB 3.36Å; I35-C69 PolarHBondContact O-N 2.83Å; I35-A71 HydrophobicContact CB-CB 3.99Å; I35-A71 HydrophobicContact CD1-CB 3.58Å; I35-A71 HydrophobicContact CG1-CB 3.77Å; I35-F78 HydrophobicContact CD1-CE2 3.97Å; I35-F78 HydrophobicContact CD1-CZ 3.76Å; I35-F113 HydrophobicContact CD1-CE1 4.39Å; I35-F113 HydrophobicContact CD1-CZ 4.13Å; I35-F113 HydrophobicContact CG2-CZ 4.43Å; I35-Y130 HydrophobicContact CG2-CD1 3.81Å; I35-Y130 HydrophobicContact CG2-CG 4.28Å; I35-K131 CarbonylContact C-O 3.59Å; I35-K131 WeakPolarHBondContact CA-O 3.3Å; I35-V141 HydrophobicContact CD1-CG2 4.32Å
36	C	95.6	Very high	91.8	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.041	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.3	168.7	-57.8	0	0	0	0	109.9	H34 I38 R65 S67 Y130 K131	H34-C36 PolarHBondContact CE1-SG 3.2Å; C36-I38 HydrophobicContact CB-CD1 4.05Å; C36-R65 HydrophobicContact CB-CG 4.16Å; C36-S67 CarbonylContact C-O 3.54Å; C36-S67 WeakPolarHBondContact CA-O 3.31Å; C36-Y130 WeakPolarHBondContact O-CA 3.42Å; C36-K131 HydrophobicContact CB-CB 4.29Å; C36-K131 PolarHBondContact N-O 3.3Å; C36-K131 PolarHBondContact O-N 3.13Å
37	T	96.3	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.2	164.6	73.3	0	0	0	0	108.6	Q66 S67 L80 P90 F91 Y130	T37-Q66 WeakPolarHBondContact O-CA 3.42Å; T37-Q66 WeakPolarHBondContact O-CB 3.41Å; T37-Q66 PolarHBondContact O-N 3.48Å; T37-Q66 WeakPolarHBondContact OG1-CB 3.34Å; T37-S67 PolarHBondContact N-O 3.13Å; T37-S67 PolarHBondContact O-N 2.76Å; T37-S67 PolarHBondContact OG1-N 3.3Å; T37-S67 PolarHBondContact OG1-OG 3.42Å; T37-L80 HydrophobicContact CG2-CD1 4.36Å; T37-P90 HydrophobicContact CG2-CB 3.89Å; T37-F91 HydrophobicContact CG2-CD2 4.49Å; T37-F91 HydrophobicContact CG2-CE2 4.42Å; T37-Y130 HydrophobicContact CG2-CD1 4.09Å; T37-Y130 HydrophobicContact CG2-CE1 3.74Å
38	I	96.8	Very high	92.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-63.7	-172.7	-57	-59.5	0	0	0	110.5	C36 Y61 R65 F112 I129 K131	C36-I38 HydrophobicContact CB-CD1 4.05Å; I38-Y61 WeakPolarHBondContact CG2-O 3.43Å; I38-R65 HydrophobicContact CD1-CB 4.2Å; I38-R65 HydrophobicContact CD1-CG 4.21Å; I38-F112 HydrophobicContact CD1-CE1 4.15Å; I38-F112 HydrophobicContact CG1-CD1 4.25Å; I38-F112 HydrophobicContact CG1-CE1 3.96Å; I38-I129 HydrophobicContact CB-CB 4.11Å; I38-I129 HydrophobicContact CB-CG2 3.89Å; I38-I129 WeakPolarHBondContact CB-O 3.33Å; I38-I129 HydrophobicContact CG1-CG2 4.29Å; I38-I129 HydrophobicContact CG2-CG2 4.19Å; I38-I129 PolarHBondContact N-O 3.36Å; I38-K131 HydrophobicContact CD1-CB 3.79Å; I38-K131 HydrophobicContact CG1-CB 3.88Å
39	Y	96.7	Very high	93.4	Very high	77 Å²	77	47.1 Å²	47.1	30%	0.302	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.4	-179.1	-153.7	-106.5	0	0	0	111.4	V41 Y61 K64 I129	Y39-V41 HydrophobicContact CD1-CG2 3.77Å; Y39-V41 HydrophobicContact CE1-CG2 3.92Å; Y39-Y61 AromaticContact CD1-CD1 3.84Å; Y39-Y61 HydrophobicContact CD1-CD1 3.84Å; Y39-Y61 AromaticContact CD1-CD2 3.67Å; Y39-Y61 HydrophobicContact CD1-CD2 3.67Å; Y39-Y61 AromaticContact CD1-CE1 4Å; Y39-Y61 HydrophobicContact CD1-CE1 4Å; Y39-Y61 AromaticContact CD1-CE2 3.84Å; Y39-Y61 HydrophobicContact CD1-CE2 3.84Å; Y39-Y61 AromaticContact CD1-CG 3.67Å; Y39-Y61 HydrophobicContact CD1-CG 3.67Å; Y39-Y61 AromaticContact CD1-CZ 3.99Å; Y39-Y61 HydrophobicContact CD2-CD1 4.27Å; Y39-Y61 HydrophobicContact CE1-CD1 4Å; Y39-Y61 HydrophobicContact CE1-CD2 4.21Å; Y39-Y61 AromaticContact CE1-CE1 3.69Å; Y39-Y61 HydrophobicContact CE1-CE1 3.69Å; Y39-Y61 AromaticContact CE1-CE2 3.92Å; Y39-Y61 HydrophobicContact CE1-CE2 3.92Å; Y39-Y61 HydrophobicContact CE1-CG 4.24Å; Y39-Y61 AromaticContact CE1-CZ 3.65Å; Y39-Y61 HydrophobicContact CE2-CD1 4.4Å; Y39-Y61 HydrophobicContact CE2-CE1 4.46Å; Y39-Y61 AromaticContact CG-CD1 3.99Å; Y39-Y61 HydrophobicContact CG-CD1 3.99Å; Y39-Y61 HydrophobicContact CG-CD2 4.27Å; Y39-Y61 AromaticContact CG-CG 3.85Å; Y39-Y61 HydrophobicContact CG-CG 3.85Å; Y39-Y61 AromaticContact CZ-CE1 3.94Å; Y39-K64 HydrophobicContact CD2-CB 4.13Å; Y39-K64 HydrophobicContact CD2-CD 3.99Å; Y39-K64 HydrophobicContact CE2-CD 3.82Å; Y39-I129 PolarHBondContact O-N 2.83Å
40	R	96.1	Very high	93.9	Very high	95 Å²	95	49.1 Å²	49.1	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.2	173.2	-179.1	179.3	80.6	-170.7	4.4	109.4	F91 Y126 Y127 E128	R40-F91 HydrophobicContact CB-CD1 4.03Å; R40-F91 HydrophobicContact CB-CD2 4.15Å; R40-F91 HydrophobicContact CB-CE1 4.07Å; R40-F91 HydrophobicContact CB-CE2 4.18Å; R40-F91 HydrophobicContact CB-CG 4.09Å; R40-F91 HydrophobicContact CB-CZ 4.18Å; R40-Y126 HydrophobicContact CG-CD1 3.97Å; R40-Y126 HydrophobicContact CG-CG 4.32Å; R40-Y127 CarbonylContact C-O 3.52Å; R40-Y127 WeakPolarHBondContact CA-O 3.35Å; R40-E128 HydrophobicContact CB-CG 4.2Å; R40-E128 WeakPolarHBondContact CD-OE1 3.27Å; R40-E128 HydrophobicContact CG-CG 3.78Å
41	V	96.4	Very high	94.3	Very high	28 Å²	28	52.8 Å²	52.8	17%	0.17	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.8	173	-178.6	0	0	0	0	108.8	Y39 L57 Y61 Y126 Y127	Y39-V41 HydrophobicContact CD1-CG2 3.77Å; Y39-V41 HydrophobicContact CE1-CG2 3.92Å; V41-L57 HydrophobicContact CB-CD1 4.29Å; V41-L57 HydrophobicContact CG2-CD1 4.26Å; V41-L57 HydrophobicContact CG2-CD2 3.98Å; V41-Y61 HydrophobicContact CG2-CD2 4.47Å; V41-Y61 HydrophobicContact CG2-CE2 3.99Å; V41-Y126 CarbonylContact O-C 3.53Å; V41-Y126 VanDerWaalsContact O-CA 3.31Å; V41-Y126 WeakPolarHBondContact O-CA 3.29Å; V41-Y127 PolarHBondContact N-O 2.88Å; V41-Y127 PolarHBondContact O-N 3.47Å
42	T	96.4	Very high	94.7	Very high	65 Å²	65	55.5 Å²	55.5	40%	0.399	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.4	171.3	-48.8	0	0	0	0	109.2	Q124 Y126	T42-Q124 HydrophobicContact CG2-CB 4.38Å; T42-Q124 HydrophobicContact CG2-CG 4.45Å; T42-Y126 HydrophobicContact CG2-CD1 4.15Å; T42-Y126 HydrophobicContact CG2-CE1 3.84Å; T42-Y126 WeakPolarHBondContact OG1-CE1 3.3Å
43	C	95.3	Very high	95	Very high	13 Å²	13	56 Å²	56	9%	0.088	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-73.5	154.2	175.3	-55.8	0	0	0	0	110.8	E47 K125 Y127	C43-E47 WeakPolarHBondContact CA-OE2 3.47Å; C43-E47 HydrophobicContact CB-CB 4.2Å; C43-E47 HydrophobicContact CB-CG 4.49Å; C43-K125 HydrophobicContact CB-CB 3.77Å; C43-K125 PolarHBondContact N-O 3.42Å; C43-Y127 WeakPolarHBondContact SG-CD2 3.49Å; C43-Y127 WeakPolarHBondContact SG-CE2 3.2Å
44	A	93.3	Very high	95.2	Very high	58 Å²	58	55.4 Å²	55.4	48%	0.479	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-68.5	154.2	171.1	0	0	0	0	0	110.9	G46 E47	A44-G46 PolarHBondContact O-N 3.36Å; A44-E47 HydrophobicContact CB-CB 4.29Å; A44-E47 PolarHBondContact N-OE2 2.81Å; A44-E47 VanDerWaalsContact N-OE2 3.12Å; A44-E47 VanDerWaalsContact O-CB 3.24Å; A44-E47 WeakPolarHBondContact O-CB 3.36Å; A44-E47 PolarHBondContact O-N 2.9Å
45	P	90.3	Very high	95.3	Very high	137 Å²	137	53.8 Å²	53.8	89%	0.89	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	128	173	-23.7	33.5	0	0	0	111.1	E47	P45-E47 VanDerWaalsContact C-N 3.28Å; P45-E47 PolarHBondContact O-N 2.91Å
46	G	89.4	Confident	95.4	Very high	77 Å²	77	56.9 Å²	56.9	79%	0.794	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.5	-179	0	0	0	0	0	115.7	A44 K48	A44-G46 PolarHBondContact O-N 3.36Å; G46-K48 PolarHBondContact O-N 3.3Å
47	E	93.2	Very high	95.5	Very high	53 Å²	53	57.3 Å²	57.3	25%	0.248	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.5	131.6	176.7	-177.9	172.2	-160.2	0	0	111.3	C43 A44 P45 K53	C43-E47 WeakPolarHBondContact CA-OE2 3.47Å; C43-E47 HydrophobicContact CB-CB 4.2Å; C43-E47 HydrophobicContact CB-CG 4.49Å; A44-E47 HydrophobicContact CB-CB 4.29Å; A44-E47 PolarHBondContact N-OE2 2.81Å; A44-E47 VanDerWaalsContact N-OE2 3.12Å; A44-E47 VanDerWaalsContact O-CB 3.24Å; A44-E47 WeakPolarHBondContact O-CB 3.36Å; A44-E47 PolarHBondContact O-N 2.9Å; P45-E47 VanDerWaalsContact C-N 3.28Å; P45-E47 PolarHBondContact O-N 2.91Å; E47-K53 WeakPolarHBondContact OE1-CD 3.41Å; E47-K53 WeakPolarHBondContact OE1-CE 3.31Å; E47-K53 IonicContact OE1-NZ 3.72Å; E47-K53 PolarHBondContact OE1-NZ 3.26Å; E47-K53 IonicContact OE2-NZ 3.47Å; E47-K53 PolarHBondContact OE2-NZ 3.09Å
48	K	94.1	Very high	95.5	Very high	177 Å²	177	57.3 Å²	57.3	77%	0.77	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-86.1	149.5	173	-66.2	-176	-179.4	-179.8	0	110.3	G46	G46-K48 PolarHBondContact O-N 3.3Å
49	F	96.1	Very high	95.5	Very high	31 Å²	31	60.6 Å²	60.6	14%	0.136	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-67	141.5	172.8	-66.9	-61.5	0	0	0	110.8	M101 C116 D118 K125 Y127	F49-M101 HydrophobicContact CD2-CB 3.95Å; F49-M101 HydrophobicContact CD2-CG 4.22Å; F49-M101 HydrophobicContact CE2-CB 3.95Å; F49-M101 HydrophobicContact CE2-CG 3.81Å; F49-C116 HydrophobicContact CB-CB 4.18Å; F49-C116 HydrophobicContact CD1-CB 3.46Å; F49-C116 VanDerWaalsContact CD1-CB 3.46Å; F49-C116 HydrophobicContact CD2-CB 3.91Å; F49-C116 HydrophobicContact CE1-CB 3.67Å; F49-C116 HydrophobicContact CE2-CB 4.1Å; F49-C116 HydrophobicContact CG-CB 3.59Å; F49-C116 HydrophobicContact CZ-CB 3.98Å; F49-D118 HydrophobicContact CE2-CB 4.38Å; F49-K125 HydrophobicContact CE1-CB 4.03Å; F49-K125 HydrophobicContact CE2-CB 4.4Å; F49-K125 HydrophobicContact CE2-CD 4.01Å; F49-K125 HydrophobicContact CE2-CG 4.11Å; F49-K125 HydrophobicContact CZ-CB 3.59Å; F49-K125 HydrophobicContact CZ-CD 4.02Å; F49-K125 HydrophobicContact CZ-CG 3.77Å; F49-Y127 VanDerWaalsContact CA-OH 3.3Å; F49-Y127 WeakPolarHBondContact CA-OH 3.5Å; F49-Y127 HydrophobicContact CD1-CD1 4.48Å; F49-Y127 AromaticContact CD1-CE1 3.89Å; F49-Y127 HydrophobicContact CD1-CE1 3.89Å; F49-Y127 HydrophobicContact CD1-CE2 4.02Å; F49-Y127 AromaticContact CD1-CZ 3.65Å; F49-Y127 HydrophobicContact CE1-CE2 4.37Å
50	S	96.1	Very high	95.5	Very high	45 Å²	45	63.9 Å²	63.9	32%	0.315	36%	0.361	S	S	.	.			trans	-140.5	135.8	177.3	174.6	0	0	0	0	110.1	S52 K53 A54 Y127	S50-S52 PolarHBondContact OG-N 3.31Å; S50-S52 PolarHBondContact OG-OG 3.21Å; S50-K53 PolarHBondContact O-N 2.91Å; S50-A54 PolarHBondContact O-N 3.39Å; S50-Y127 PolarHBondContact N-OH 3.27Å
51	E	96.7	Very high	95.5	Very high	89 Å²	89	60.8 Å²	60.8	42%	0.416	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-45.3	176.1	-178.4	172.2	-177	0	0	111.7	K53 A54 L55 Y104	E51-K53 VanDerWaalsContact C-N 3.26Å; E51-K53 PolarHBondContact O-N 3.11Å; E51-A54 WeakPolarHBondContact O-CB 3.33Å; E51-A54 PolarHBondContact O-N 2.89Å; E51-L55 HydrophobicContact CG-CD1 3.91Å; E51-L55 HydrophobicContact CG-CG 4.19Å; E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 3.07Å; E51-Y104 HydrophobicContact CB-CD1 3.94Å; E51-Y104 HydrophobicContact CB-CE1 3.54Å; E51-Y104 HydrophobicContact CB-CE2 4.26Å; E51-Y104 HydrophobicContact CB-CG 4.46Å; E51-Y104 HydrophobicContact CG-CD1 3.6Å; E51-Y104 HydrophobicContact CG-CE1 3.71Å; E51-Y104 HydrophobicContact CG-CG 4.16Å
52	S	96.8	Very high	95.4	Very high	86 Å²	86	61.3 Å²	61.3	60%	0.601	35%	0.35	S	S	*	.	H	α-helix	trans	-60.8	-38.2	-179.2	61.7	0	0	0	0	111.9	S50 S56	S50-S52 PolarHBondContact OG-N 3.31Å; S50-S52 PolarHBondContact OG-OG 3.21Å; S52-S56 WeakPolarHBondContact O-CB 3.14Å; S52-S56 PolarHBondContact O-N 2.97Å; S52-S56 PolarHBondContact O-OG 3.33Å
53	K	96.8	Very high	95.3	Very high	55 Å²	55	68.2 Å²	68.2	24%	0.239	37%	0.369	C	S	.	.	H	α-helix	trans	-65.3	-48.6	173.1	-173.7	170	-179.6	177.5	0	110.6	E47 S50 E51 L55 S56 L57 Y127	E47-K53 WeakPolarHBondContact OE1-CD 3.41Å; E47-K53 WeakPolarHBondContact OE1-CE 3.31Å; E47-K53 IonicContact OE1-NZ 3.72Å; E47-K53 PolarHBondContact OE1-NZ 3.26Å; E47-K53 IonicContact OE2-NZ 3.47Å; E47-K53 PolarHBondContact OE2-NZ 3.09Å; S50-K53 PolarHBondContact O-N 2.91Å; E51-K53 VanDerWaalsContact C-N 3.26Å; E51-K53 PolarHBondContact O-N 3.11Å; K53-L55 VanDerWaalsContact C-N 3.35Å; K53-L55 PolarHBondContact O-N 2.83Å; K53-S56 PolarHBondContact O-N 3.36Å; K53-S56 PolarHBondContact O-OG 3.38Å; K53-L57 HydrophobicContact CG-CD1 4.02Å; K53-L57 HydrophobicContact CG-CG 4.29Å; K53-L57 WeakPolarHBondContact O-CB 3.44Å; K53-L57 WeakPolarHBondContact O-CG 3.18Å; K53-L57 PolarHBondContact O-N 3.31Å; K53-Y127 HydrophobicContact CD-CE2 3.72Å; K53-Y127 HydrophobicContact CG-CE2 4.18Å
54	A	97	Very high	95.2	Very high	0 Å²	0	73 Å²	73	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-56.7	-47.1	178.6	0	0	0	0	0	112.3	S50 E51 L57 I58 Y104 A114 Y127	S50-A54 PolarHBondContact O-N 3.39Å; E51-A54 WeakPolarHBondContact O-CB 3.33Å; E51-A54 PolarHBondContact O-N 2.89Å; A54-L57 WeakPolarHBondContact O-CB 3.45Å; A54-L57 PolarHBondContact O-N 3.42Å; A54-I58 WeakPolarHBondContact O-CG1 3.19Å; A54-I58 PolarHBondContact O-N 3.06Å; A54-Y104 HydrophobicContact CB-CD2 3.48Å; A54-Y104 VanDerWaalsContact CB-CD2 3.48Å; A54-Y104 HydrophobicContact CB-CE2 4.19Å; A54-Y104 HydrophobicContact CB-CG 4.17Å; A54-A114 HydrophobicContact CB-CB 4.09Å; A54-Y127 HydrophobicContact CB-CD1 3.93Å; A54-Y127 HydrophobicContact CB-CE1 3.9Å
55	L	97.2	Very high	95.2	Very high	36 Å²	36	75.6 Å²	75.6	19%	0.188	39%	0.386	C	S	.	.	H	α-helix	trans	-66.1	-42.6	179.8	-64.4	-179.3	0	0	0	112.4	E51 K53 L57 I58 E59 V105	E51-L55 HydrophobicContact CG-CD1 3.91Å; E51-L55 HydrophobicContact CG-CG 4.19Å; E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 3.07Å; K53-L55 VanDerWaalsContact C-N 3.35Å; K53-L55 PolarHBondContact O-N 2.83Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 2.89Å; L55-I58 HydrophobicContact CD2-CD1 4.31Å; L55-I58 WeakPolarHBondContact O-CB 3.49Å; L55-I58 PolarHBondContact O-N 2.95Å; L55-E59 PolarHBondContact O-N 3.38Å; L55-E59 VanDerWaalsContact O-N 3.11Å; L55-V105 WeakPolarHBondContact CD2-O 3.45Å
56	S	96.9	Very high	95.2	Very high	65 Å²	65	72.5 Å²	72.5	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-35.6	175.4	68.3	0	0	0	0	112.5	S52 K53 E59 K60	S52-S56 WeakPolarHBondContact O-CB 3.14Å; S52-S56 PolarHBondContact O-N 2.97Å; S52-S56 PolarHBondContact O-OG 3.33Å; K53-S56 PolarHBondContact O-N 3.36Å; K53-S56 PolarHBondContact O-OG 3.38Å; S56-E59 PolarHBondContact O-N 3.43Å; S56-K60 WeakPolarHBondContact O-CB 3.5Å; S56-K60 PolarHBondContact O-N 3.11Å
57	L	97.1	Very high	95.4	Very high	15 Å²	15	69 Å²	69	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-38.9	175.3	-70.3	175.5	0	0	0	111.8	V41 K53 A54 L55 K60 Y61 Y127 I129	V41-L57 HydrophobicContact CB-CD1 4.29Å; V41-L57 HydrophobicContact CG2-CD1 4.26Å; V41-L57 HydrophobicContact CG2-CD2 3.98Å; K53-L57 HydrophobicContact CG-CD1 4.02Å; K53-L57 HydrophobicContact CG-CG 4.29Å; K53-L57 WeakPolarHBondContact O-CB 3.44Å; K53-L57 WeakPolarHBondContact O-CG 3.18Å; K53-L57 PolarHBondContact O-N 3.31Å; A54-L57 WeakPolarHBondContact O-CB 3.45Å; A54-L57 PolarHBondContact O-N 3.42Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 2.89Å; L57-K60 PolarHBondContact O-N 3.31Å; L57-Y61 HydrophobicContact CB-CD2 4.47Å; L57-Y61 HydrophobicContact CD2-CD2 4.13Å; L57-Y61 HydrophobicContact CD2-CE2 3.71Å; L57-Y61 WeakPolarHBondContact O-CB 3.2Å; L57-Y61 WeakPolarHBondContact O-CD2 3.46Å; L57-Y61 PolarHBondContact O-N 2.81Å; L57-Y127 HydrophobicContact CD1-CD1 4.2Å; L57-Y127 HydrophobicContact CD1-CD2 3.9Å; L57-Y127 HydrophobicContact CD1-CG 3.68Å; L57-I129 HydrophobicContact CB-CD1 4Å; L57-I129 WeakPolarHBondContact O-CD1 3.28Å
58	I	97.3	Very high	95.4	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.1	-50.8	172.7	-66.9	171.2	0	0	0	109.9	A54 L55 K60 Y61 H62 F112 A114 I129	A54-I58 WeakPolarHBondContact O-CG1 3.19Å; A54-I58 PolarHBondContact O-N 3.06Å; L55-I58 HydrophobicContact CD2-CD1 4.31Å; L55-I58 WeakPolarHBondContact O-CB 3.49Å; L55-I58 PolarHBondContact O-N 2.95Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.27Å; I58-Y61 PolarHBondContact O-N 2.83Å; I58-H62 WeakPolarHBondContact O-CB 3.39Å; I58-H62 PolarHBondContact O-N 2.89Å; I58-F112 HydrophobicContact CG2-CB 3.73Å; I58-F112 HydrophobicContact CG2-CD1 4.36Å; I58-F112 HydrophobicContact CG2-CG 4.18Å; I58-A114 HydrophobicContact CD1-CB 3.96Å; I58-A114 HydrophobicContact CG1-CB 4.19Å; I58-I129 HydrophobicContact CG1-CG1 4.37Å; I58-I129 HydrophobicContact CG1-CG2 3.99Å
59	E	96.3	Very high	95.4	Very high	71 Å²	71	61.9 Å²	61.9	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-41.5	179.6	-75.2	-54.1	140.7	0	0	112.7	L55 S56 Y61 H62 S108 R109	L55-E59 PolarHBondContact O-N 3.38Å; L55-E59 VanDerWaalsContact O-N 3.11Å; S56-E59 PolarHBondContact O-N 3.43Å; E59-Y61 PolarHBondContact O-N 2.81Å; E59-H62 PolarHBondContact O-CE1 3.45Å; E59-H62 PolarHBondContact O-ND1 2.66Å; E59-S108 PolarHBondContact OE1-OG 2.89Å; E59-R109 IonicContact OE1-NH1 3.01Å; E59-R109 PolarHBondContact OE1-NH1 3.42Å; E59-R109 IonicContact OE2-CZ 3.75Å; E59-R109 IonicContact OE2-NH1 3.61Å; E59-R109 PolarHBondContact OE2-NH1 3.12Å; E59-R109 IonicContact OE2-NH2 3.45Å
60	K	96.8	Very high	95.2	Very high	146 Å²	146	62.1 Å²	62.1	64%	0.635	30%	0.295	S	S	*	.	H	α-helix	trans	-65.9	-38.8	178.8	-172.6	174	-178	179.5	0	113.2	S56 L57 I58	S56-K60 WeakPolarHBondContact O-CB 3.5Å; S56-K60 PolarHBondContact O-N 3.11Å; L57-K60 PolarHBondContact O-N 3.31Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 3.27Å
61	Y	96.7	Very high	95.1	Very high	30 Å²	30	60 Å²	60	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-112.3	0.8	-167.4	-64.5	-62.1	0	0	0	115.7	I38 Y39 V41 L57 I58 E59 R63 K64 I129	I38-Y61 WeakPolarHBondContact CG2-O 3.43Å; Y39-Y61 AromaticContact CD1-CD1 3.84Å; Y39-Y61 HydrophobicContact CD1-CD1 3.84Å; Y39-Y61 AromaticContact CD1-CD2 3.67Å; Y39-Y61 HydrophobicContact CD1-CD2 3.67Å; Y39-Y61 AromaticContact CD1-CE1 4Å; Y39-Y61 HydrophobicContact CD1-CE1 4Å; Y39-Y61 AromaticContact CD1-CE2 3.84Å; Y39-Y61 HydrophobicContact CD1-CE2 3.84Å; Y39-Y61 AromaticContact CD1-CG 3.67Å; Y39-Y61 HydrophobicContact CD1-CG 3.67Å; Y39-Y61 AromaticContact CD1-CZ 3.99Å; Y39-Y61 HydrophobicContact CD2-CD1 4.27Å; Y39-Y61 HydrophobicContact CE1-CD1 4Å; Y39-Y61 HydrophobicContact CE1-CD2 4.21Å; Y39-Y61 AromaticContact CE1-CE1 3.69Å; Y39-Y61 HydrophobicContact CE1-CE1 3.69Å; Y39-Y61 AromaticContact CE1-CE2 3.92Å; Y39-Y61 HydrophobicContact CE1-CE2 3.92Å; Y39-Y61 HydrophobicContact CE1-CG 4.24Å; Y39-Y61 AromaticContact CE1-CZ 3.65Å; Y39-Y61 HydrophobicContact CE2-CD1 4.4Å; Y39-Y61 HydrophobicContact CE2-CE1 4.46Å; Y39-Y61 AromaticContact CG-CD1 3.99Å; Y39-Y61 HydrophobicContact CG-CD1 3.99Å; Y39-Y61 HydrophobicContact CG-CD2 4.27Å; Y39-Y61 AromaticContact CG-CG 3.85Å; Y39-Y61 HydrophobicContact CG-CG 3.85Å; Y39-Y61 AromaticContact CZ-CE1 3.94Å; V41-Y61 HydrophobicContact CG2-CD2 4.47Å; V41-Y61 HydrophobicContact CG2-CE2 3.99Å; L57-Y61 HydrophobicContact CB-CD2 4.47Å; L57-Y61 HydrophobicContact CD2-CD2 4.13Å; L57-Y61 HydrophobicContact CD2-CE2 3.71Å; L57-Y61 WeakPolarHBondContact O-CB 3.2Å; L57-Y61 WeakPolarHBondContact O-CD2 3.46Å; L57-Y61 PolarHBondContact O-N 2.81Å; I58-Y61 PolarHBondContact O-N 2.83Å; E59-Y61 PolarHBondContact O-N 2.81Å; Y61-R63 PolarHBondContact O-N 3.24Å; Y61-K64 HydrophobicContact CD1-CD 3.72Å; Y61-K64 HydrophobicContact CD1-CG 4.23Å; Y61-K64 HydrophobicContact CE1-CD 4.22Å; Y61-K64 PolarHBondContact O-N 3.11Å; Y61-I129 HydrophobicContact CD2-CD1 4.25Å
62	H	94.1	Very high	94.8	Very high	38 Å²	38	56 Å²	56	18%	0.176	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-24.6	-176.2	70.4	-79.9	0	0	0	116	I58 E59 R109 F112	I58-H62 WeakPolarHBondContact O-CB 3.39Å; I58-H62 PolarHBondContact O-N 2.89Å; E59-H62 PolarHBondContact O-CE1 3.45Å; E59-H62 PolarHBondContact O-ND1 2.66Å; H62-R109 PolarHBondContact CD2-NH1 3.37Å; H62-R109 PolarHBondContact CE1-NH1 3.43Å; H62-R109 PolarHBondContact CE1-NH2 3.46Å; H62-R109 PolarHBondContact ND1-NH1 2.7Å; H62-R109 VanDerWaalsContact ND1-NH1 3.12Å; H62-R109 PolarHBondContact NE2-NH2 2.81Å; H62-F112 HydrophobicContact CB-CE1 3.86Å; H62-F112 HydrophobicContact CB-CZ 3.88Å
63	R	93.8	Very high	94.7	Very high	211 Å²	211	52 Å²	52	80%	0.796	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.3	179.6	-54.9	-171.3	179.1	-174.9	-3	114.6	Y61 R65	Y61-R63 PolarHBondContact O-N 3.24Å; R63-R65 VanDerWaalsContact C-N 3.26Å; R63-R65 PolarHBondContact O-N 3.38Å
64	K	92.6	Very high	94.4	Very high	113 Å²	113	49.3 Å²	49.3	49%	0.491	22%	0.223	S	C	.	.			trans	-82.6	31.1	-168.2	-68.1	-154	-177.3	-173.8	0	115.7	Y39 Y61 Q66	Y39-K64 HydrophobicContact CD2-CB 4.13Å; Y39-K64 HydrophobicContact CD2-CD 3.99Å; Y39-K64 HydrophobicContact CE2-CD 3.82Å; Y61-K64 HydrophobicContact CD1-CD 3.72Å; Y61-K64 HydrophobicContact CD1-CG 4.23Å; Y61-K64 HydrophobicContact CE1-CD 4.22Å; Y61-K64 PolarHBondContact O-N 3.11Å; K64-Q66 PolarHBondContact O-N 2.56Å
65	R	93	Very high	94.2	Very high	112 Å²	112	51.7 Å²	51.7	42%	0.423	23%	0.234	S	C	.	.			trans	-38.9	121.1	-171.1	-173.7	-176.8	-58.6	168	6.6	113.6	C36 I38 R63 H68	C36-R65 HydrophobicContact CB-CG 4.16Å; I38-R65 HydrophobicContact CD1-CB 4.2Å; I38-R65 HydrophobicContact CD1-CG 4.21Å; R63-R65 VanDerWaalsContact C-N 3.26Å; R63-R65 PolarHBondContact O-N 3.38Å; R65-H68 WeakPolarHBondContact CD-NE2 3.47Å; R65-H68 PolarHBondContact NH1-CE1 2.85Å; R65-H68 PolarHBondContact NH1-NE2 2.85Å
66	Q	91.6	Very high	93.9	Very high	73 Å²	73	51.6 Å²	51.6	34%	0.341	23%	0.234	S	C	.	.			trans	-87.1	-55.5	179	176.9	66.3	13.8	0	0	111.6	T37 K64 K88 F91	T37-Q66 WeakPolarHBondContact O-CA 3.42Å; T37-Q66 WeakPolarHBondContact O-CB 3.41Å; T37-Q66 PolarHBondContact O-N 3.48Å; T37-Q66 WeakPolarHBondContact OG1-CB 3.34Å; K64-Q66 PolarHBondContact O-N 2.56Å; Q66-K88 WeakPolarHBondContact O-CB 3.46Å; Q66-K88 WeakPolarHBondContact O-CD 3.25Å; Q66-F91 HydrophobicContact CB-CE1 3.89Å; Q66-F91 HydrophobicContact CB-CZ 4Å; Q66-F91 HydrophobicContact CG-CD1 4.33Å; Q66-F91 HydrophobicContact CG-CE1 3.66Å; Q66-F91 HydrophobicContact CG-CZ 4.25Å
67	S	93.5	Very high	93.8	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.4	-175.7	72.1	0	0	0	0	113.4	C36 T37 C69 K88 P90	C36-S67 CarbonylContact C-O 3.54Å; C36-S67 WeakPolarHBondContact CA-O 3.31Å; T37-S67 PolarHBondContact N-O 3.13Å; T37-S67 PolarHBondContact O-N 2.76Å; T37-S67 PolarHBondContact OG1-N 3.3Å; T37-S67 PolarHBondContact OG1-OG 3.42Å; S67-C69 PolarHBondContact OG-SG 3.38Å; S67-K88 WeakPolarHBondContact CB-O 3.18Å; S67-P90 WeakPolarHBondContact OG-CA 3.42Å
68	H	93.9	Very high	93.7	Very high	81 Å²	81	50.4 Å²	50.4	38%	0.375	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.4	169.1	-78.2	-87.5	0	0	0	109	H34 R65 T83	H34-H68 AromaticContact CE1-ND1 3.45Å; H34-H68 PolarHBondContact CE1-ND1 3.35Å; H34-H68 AromaticContact NE2-CG 3.92Å; H34-H68 AromaticContact NE2-ND1 3.02Å; H34-H68 PolarHBondContact NE2-ND1 2.87Å; R65-H68 WeakPolarHBondContact CD-NE2 3.47Å; R65-H68 PolarHBondContact NH1-CE1 2.85Å; R65-H68 PolarHBondContact NH1-NE2 2.85Å; H68-T83 PolarHBondContact O-N 2.84Å; H68-T83 PolarHBondContact O-OG1 3.01Å
69	C	93.1	Very high	93.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.5	-178.3	-59.5	0	0	0	0	111.7	H34 I35 S67 L80 E81	H34-C69 WeakPolarHBondContact CA-O 3.33Å; I35-C69 PolarHBondContact N-O 3.38Å; I35-C69 CarbonylContact O-C 3.59Å; I35-C69 WeakPolarHBondContact O-CA 3.45Å; I35-C69 WeakPolarHBondContact O-CB 3.36Å; I35-C69 PolarHBondContact O-N 2.83Å; S67-C69 PolarHBondContact OG-SG 3.38Å; C69-L80 HydrophobicContact CB-CD2 4.01Å; C69-E81 CarbonylContact C-O 3.59Å; C69-E81 WeakPolarHBondContact CA-O 3.34Å; C69-E81 WeakPolarHBondContact CB-O 3.45Å
70	N	91.9	Very high	93.3	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.193	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.9	157.8	-168.2	24.8	0	0	0	107.4	N12 E32 E81	N12-N70 PolarHBondContact ND2-ND2 2.54Å; E32-N70 WeakPolarHBondContact CG-OD1 3.4Å; E32-N70 PolarHBondContact OE1-ND2 2.73Å; N70-E81 PolarHBondContact N-O 3.42Å; N70-E81 PolarHBondContact O-N 2.83Å
71	A	93.4	Very high	92.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	-174.7	0	0	0	0	0	110.6	E32 T33 I35 F78 S79 L80	E32-A71 WeakPolarHBondContact CA-O 3.41Å; T33-A71 PolarHBondContact N-O 3.49Å; T33-A71 WeakPolarHBondContact O-CB 3.17Å; T33-A71 PolarHBondContact O-N 2.96Å; I35-A71 HydrophobicContact CB-CB 3.99Å; I35-A71 HydrophobicContact CD1-CB 3.58Å; I35-A71 HydrophobicContact CG1-CB 3.77Å; A71-F78 HydrophobicContact CB-CE2 3.59Å; A71-F78 HydrophobicContact CB-CZ 3.85Å; A71-S79 CarbonylContact C-O 3.58Å; A71-S79 WeakPolarHBondContact CA-O 3.28Å; A71-L80 HydrophobicContact CB-CD2 3.84Å
72	G	91.8	Very high	92.5	Very high	5 Å²	5	47.4 Å²	47.4	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.1	176	0	0	0	0	0	110.8	L31 S79	L31-G72 CarbonylContact O-C 3.56Å; L31-G72 WeakPolarHBondContact O-CA 3.36Å; G72-S79 WeakPolarHBondContact CA-OG 3.37Å; G72-S79 PolarHBondContact N-O 3.44Å; G72-S79 PolarHBondContact N-OG 3.41Å; G72-S79 PolarHBondContact O-N 2.84Å; G72-S79 PolarHBondContact O-OG 3.32Å
73	L	93.2	Very high	92	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.8	165.6	-78.4	73.2	0	0	0	107.2	F30 L31 F78 Y97 V141 L144 M145 L156	F30-L73 PolarHBondContact N-O 2.97Å; L31-L73 HydrophobicContact CB-CB 4.26Å; L31-L73 HydrophobicContact CB-CD1 4.38Å; L31-L73 HydrophobicContact CD2-CD1 4.32Å; L31-L73 PolarHBondContact O-N 2.78Å; L73-F78 HydrophobicContact CD1-CD2 3.76Å; L73-F78 HydrophobicContact CD1-CE2 3.86Å; L73-F78 HydrophobicContact CG-CD2 4.16Å; L73-Y97 WeakPolarHBondContact CB-OH 3.29Å; L73-V141 HydrophobicContact CD1-CG2 4.32Å; L73-V141 HydrophobicContact CD2-CG1 4.5Å; L73-L144 HydrophobicContact CD2-CB 3.41Å; L73-L144 VanDerWaalsContact CD2-CB 3.41Å; L73-L144 HydrophobicContact CD2-CD1 3.83Å; L73-L144 HydrophobicContact CD2-CG 4.28Å; L73-M145 HydrophobicContact CD2-CG 4.16Å; L73-L156 HydrophobicContact CB-CD1 4.28Å
74	L	91.8	Very high	91.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.21	C	C	.	.			trans	-101.1	-178.3	-177.9	-51.8	-177.5	0	0	0	109.8	H22 T25 Q27 Y28 L29 D76 R77 Y97	H22-L74 HydrophobicContact CB-CD1 4.33Å; H22-L74 HydrophobicContact CB-CD2 3.69Å; T25-L74 HydrophobicContact CG2-CD1 4.48Å; Q27-L74 HydrophobicContact CB-CB 4.27Å; Q27-L74 VanDerWaalsContact OE1-CD1 3.32Å; Y28-L74 WeakPolarHBondContact O-CA 3.49Å; L29-L74 HydrophobicContact CB-CD2 4.3Å; L29-L74 HydrophobicContact CD1-CD2 3.64Å; L74-D76 PolarHBondContact O-N 3.47Å; L74-R77 HydrophobicContact CB-CG 4.12Å; L74-R77 WeakPolarHBondContact CB-O 3.37Å; L74-R77 HydrophobicContact CD1-CG 3.92Å; L74-R77 HydrophobicContact CG-CG 4.37Å; L74-R77 PolarHBondContact N-O 3.27Å; L74-Y97 VanDerWaalsContact O-CE2 3.25Å; L74-Y97 WeakPolarHBondContact O-CE2 3.3Å; L74-Y97 PolarHBondContact O-OH 2.79Å
75	E	91.7	Very high	90.5	Very high	50 Å²	50	45 Å²	45	23%	0.234	21%	0.212	C	C	.	.	S	Bend	trans	-56.3	-43.4	179.8	-67.1	168.6	-144.5	0	0	113.9	Q27 Y28 F30 K155 L156	Q27-E75 WeakPolarHBondContact CA-OE1 3.49Å; Q27-E75 HydrophobicContact CB-CG 4.33Å; Y28-E75 HydrophobicContact CD2-CG 3.96Å; Y28-E75 WeakPolarHBondContact CD2-OE1 3.3Å; Y28-E75 HydrophobicContact CG-CG 4.41Å; Y28-E75 PolarHBondContact N-OE1 3.39Å; F30-E75 HydrophobicContact CE2-CB 4.44Å; F30-E75 HydrophobicContact CE2-CG 3.82Å; F30-E75 HydrophobicContact CZ-CG 4.41Å; E75-K155 CarbonylContact O-C 3.52Å; E75-K155 WeakPolarHBondContact O-CA 3.44Å; E75-K155 WeakPolarHBondContact O-CB 2.96Å; E75-L156 PolarHBondContact O-N 3.28Å
76	D	91.9	Very high	89.5	Confident	34 Å²	34	46 Å²	46	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-123.1	-2.9	-170.5	69.1	-16.2	0	0	0	114.3	Q27 L74 S96 Y97 K155	Q27-D76 PolarHBondContact NE2-OD1 3.41Å; Q27-D76 PolarHBondContact NE2-OD2 2.94Å; Q27-D76 PolarHBondContact OE1-OD1 3.33Å; L74-D76 PolarHBondContact O-N 3.47Å; D76-S96 WeakPolarHBondContact O-CA 3.41Å; D76-S96 PolarHBondContact O-OG 2.96Å; D76-Y97 PolarHBondContact O-N 2.78Å; D76-Y97 VanDerWaalsContact O-N 3.13Å; D76-K155 HydrophobicContact CB-CG 4.23Å
77	R	93.9	Very high	88.7	Confident	54 Å²	54	44 Å²	44	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	154.9	-170.2	71	-168.7	70.2	-172.1	0.3	113.3	L74 V95 Y97	L74-R77 HydrophobicContact CB-CG 4.12Å; L74-R77 WeakPolarHBondContact CB-O 3.37Å; L74-R77 HydrophobicContact CD1-CG 3.92Å; L74-R77 HydrophobicContact CG-CG 4.37Å; L74-R77 PolarHBondContact N-O 3.27Å; R77-V95 CarbonylContact C-O 3.57Å; R77-V95 VanDerWaalsContact CA-O 3.3Å; R77-V95 WeakPolarHBondContact CA-O 3.28Å; R77-V95 WeakPolarHBondContact CB-O 3.28Å; R77-Y97 PolarHBondContact O-OH 2.98Å
78	F	94.7	Very high	88.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.4	165.5	175.3	-124.1	0	0	0	109.1	I35 A71 L73 L80 W94 V95 Y97 L115 Y130 M145	I35-F78 HydrophobicContact CD1-CE2 3.97Å; I35-F78 HydrophobicContact CD1-CZ 3.76Å; A71-F78 HydrophobicContact CB-CE2 3.59Å; A71-F78 HydrophobicContact CB-CZ 3.85Å; L73-F78 HydrophobicContact CD1-CD2 3.76Å; L73-F78 HydrophobicContact CD1-CE2 3.86Å; L73-F78 HydrophobicContact CG-CD2 4.16Å; F78-L80 HydrophobicContact CD1-CD1 4.48Å; F78-L80 HydrophobicContact CD1-CG 4.36Å; F78-L80 HydrophobicContact CE1-CD1 3.97Å; F78-L80 HydrophobicContact CE1-CD2 3.81Å; F78-L80 HydrophobicContact CE1-CG 3.86Å; F78-L80 HydrophobicContact CZ-CD2 3.71Å; F78-L80 HydrophobicContact CZ-CG 4.2Å; F78-W94 CarbonylContact O-C 3.44Å; F78-W94 WeakPolarHBondContact O-CA 3.29Å; F78-W94 WeakPolarHBondContact O-CB 3.16Å; F78-V95 HydrophobicContact CB-CG1 3.82Å; F78-V95 HydrophobicContact CD1-CG1 3.77Å; F78-V95 HydrophobicContact CG-CG1 4.3Å; F78-V95 PolarHBondContact N-O 3.31Å; F78-V95 PolarHBondContact O-N 2.81Å; F78-Y97 HydrophobicContact CB-CE1 4.13Å; F78-L115 HydrophobicContact CD1-CD1 4.26Å; F78-L115 HydrophobicContact CE1-CD1 4.35Å; F78-Y130 HydrophobicContact CE1-CE1 4.34Å; F78-M145 HydrophobicContact CB-CE 3.79Å; F78-M145 HydrophobicContact CD1-CE 3.67Å; F78-M145 HydrophobicContact CD2-CE 3.34Å; F78-M145 HydrophobicContact CE1-CE 4Å; F78-M145 HydrophobicContact CE2-CE 3.67Å; F78-M145 HydrophobicContact CG-CE 3.32Å; F78-M145 HydrophobicContact CZ-CE 4Å
79	S	93.7	Very high	87.9	Confident	8 Å²	8	50.2 Å²	50.2	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	145.2	179.2	67.7	0	0	0	0	111.6	A71 G72	A71-S79 CarbonylContact C-O 3.58Å; A71-S79 WeakPolarHBondContact CA-O 3.28Å; G72-S79 WeakPolarHBondContact CA-OG 3.37Å; G72-S79 PolarHBondContact N-O 3.44Å; G72-S79 PolarHBondContact N-OG 3.41Å; G72-S79 PolarHBondContact O-N 2.84Å; G72-S79 PolarHBondContact O-OG 3.32Å
80	L	92.7	Very high	87.7	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	111.7	179.7	-72.2	167.5	0	0	0	109	T37 C69 A71 F78 P90 P93 Y130	T37-L80 HydrophobicContact CG2-CD1 4.36Å; C69-L80 HydrophobicContact CB-CD2 4.01Å; A71-L80 HydrophobicContact CB-CD2 3.84Å; F78-L80 HydrophobicContact CD1-CD1 4.48Å; F78-L80 HydrophobicContact CD1-CG 4.36Å; F78-L80 HydrophobicContact CE1-CD1 3.97Å; F78-L80 HydrophobicContact CE1-CD2 3.81Å; F78-L80 HydrophobicContact CE1-CG 3.86Å; F78-L80 HydrophobicContact CZ-CD2 3.71Å; F78-L80 HydrophobicContact CZ-CG 4.2Å; L80-P90 HydrophobicContact CB-CB 4.2Å; L80-P90 HydrophobicContact CB-CG 4.29Å; L80-P90 HydrophobicContact CD1-CB 4.48Å; L80-P93 PolarHBondContact N-O 3.17Å; L80-Y130 HydrophobicContact CD1-CE1 3.69Å; L80-Y130 HydrophobicContact CD2-CE1 4.37Å
81	E	88.5	Confident	87.6	Confident	61 Å²	61	51.2 Å²	51.2	29%	0.285	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.2	179.5	-61	-159.9	165.2	0	0	111.6	N12 H22 C69 N70 T83	N12-E81 PolarHBondContact ND2-OE2 2.55Å; N12-E81 PolarHBondContact OD1-OE2 3.25Å; H22-E81 IonicContact CE1-OE1 3.46Å; H22-E81 PolarHBondContact CE1-OE1 3.47Å; H22-E81 IonicContact NE2-OE1 3.12Å; H22-E81 PolarHBondContact NE2-OE1 2.82Å; H22-E81 VanDerWaalsContact NE2-OE1 3.12Å; C69-E81 CarbonylContact C-O 3.59Å; C69-E81 WeakPolarHBondContact CA-O 3.34Å; C69-E81 WeakPolarHBondContact CB-O 3.45Å; N70-E81 PolarHBondContact N-O 3.42Å; N70-E81 PolarHBondContact O-N 2.83Å; E81-T83 PolarHBondContact O-N 3.14Å
82	R	88.2	Confident	87.5	Confident	113 Å²	113	52.7 Å²	52.7	43%	0.426	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	129.1	176.8	62.2	-176.8	177.3	179	-6.3	110.2	K84 T85	R82-K84 VanDerWaalsContact C-N 3.28Å; R82-K84 WeakPolarHBondContact CD-O 3.42Å; R82-K84 WeakPolarHBondContact CG-O 3.36Å; R82-K84 PolarHBondContact O-N 3.3Å; R82-T85 PolarHBondContact NH1-O 3.07Å
83	T	83.2	Confident	87.5	Confident	73 Å²	73	56.5 Å²	56.5	45%	0.448	29%	0.292	S	S	.	.	S	Bend	trans	-68.7	-29.8	177.2	-49.6	0	0	0	0	112.2	H68 E81	H68-T83 PolarHBondContact O-N 2.84Å; H68-T83 PolarHBondContact O-OG1 3.01Å; E81-T83 PolarHBondContact O-N 3.14Å
84	K	79.9	Confident	87.5	Confident	150 Å²	150	61.9 Å²	61.9	65%	0.652	31%	0.312	S	S	*	.	S	Bend	trans	-124.6	142.2	179.6	-63.4	-175.9	179.8	-177.3	0	109.8	R82 T86 G87	R82-K84 VanDerWaalsContact C-N 3.28Å; R82-K84 WeakPolarHBondContact CD-O 3.42Å; R82-K84 WeakPolarHBondContact CG-O 3.36Å; R82-K84 PolarHBondContact O-N 3.3Å; K84-T86 PolarHBondContact O-N 2.92Å; K84-G87 PolarHBondContact O-N 3.25Å
85	T	74.2	Confident	87.6	Confident	88 Å²	88	61.9 Å²	61.9	54%	0.54	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.6	176.8	46.7	0	0	0	0	112.5	R82	R82-T85 PolarHBondContact NH1-O 3.07Å
86	T	73.5	Confident	87.8	Confident	132 Å²	132	60.5 Å²	60.5	81%	0.81	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	12.1	-179.3	54.9	0	0	0	0	113.9	K84	K84-T86 PolarHBondContact O-N 2.92Å
87	G	73.5	Confident	88	Confident	31 Å²	31	59 Å²	59	32%	0.32	30%	0.3	S	S	.	.	S	Bend	trans	-86.3	161.5	-178.2	0	0	0	0	0	113.9	K84	K84-G87 PolarHBondContact O-N 3.25Å
88	K	85.6	Confident	88	Confident	133 Å²	133	61.7 Å²	61.7	58%	0.578	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-55	141.2	166	-70.3	-179.3	175.3	-174.6	0	109.9	Q66 S67	Q66-K88 WeakPolarHBondContact O-CB 3.46Å; Q66-K88 WeakPolarHBondContact O-CD 3.25Å; S67-K88 WeakPolarHBondContact CB-O 3.18Å
89	I	85.7	Confident	88	Confident	83 Å²	83	62.3 Å²	62.3	43%	0.426	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-83.4	142.2	-176.7	-53.6	174.7	0	0	0	109.1
90	P	89.4	Confident	88.2	Confident	14 Å²	14	62.3 Å²	62.3	9%	0.091	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.8	166.8	168	23.1	-32.3	0	0	0	112.2	T37 S67 L80 R92	T37-P90 HydrophobicContact CG2-CB 3.89Å; S67-P90 WeakPolarHBondContact OG-CA 3.42Å; L80-P90 HydrophobicContact CB-CB 4.2Å; L80-P90 HydrophobicContact CB-CG 4.29Å; L80-P90 HydrophobicContact CD1-CB 4.48Å; P90-R92 PolarHBondContact O-N 3.07Å
91	F	90.2	Very high	88.3	Confident	42 Å²	42	66.3 Å²	66.3	18%	0.184	34%	0.335	C	S	.	.	S	Bend	trans	-61	-31.4	178.3	-49.9	-51.9	0	0	0	112.8	T37 R40 Q66 E128	T37-F91 HydrophobicContact CG2-CD2 4.49Å; T37-F91 HydrophobicContact CG2-CE2 4.42Å; R40-F91 HydrophobicContact CB-CD1 4.03Å; R40-F91 HydrophobicContact CB-CD2 4.15Å; R40-F91 HydrophobicContact CB-CE1 4.07Å; R40-F91 HydrophobicContact CB-CE2 4.18Å; R40-F91 HydrophobicContact CB-CG 4.09Å; R40-F91 HydrophobicContact CB-CZ 4.18Å; Q66-F91 HydrophobicContact CB-CE1 3.89Å; Q66-F91 HydrophobicContact CB-CZ 4Å; Q66-F91 HydrophobicContact CG-CD1 4.33Å; Q66-F91 HydrophobicContact CG-CE1 3.66Å; Q66-F91 HydrophobicContact CG-CZ 4.25Å; F91-E128 HydrophobicContact CD2-CG 4.25Å
92	R	90.6	Very high	88.7	Confident	33 Å²	33	66.8 Å²	66.8	13%	0.125	34%	0.337	C	S	.	.			trans	-156.7	152.6	179.9	60.7	-170.6	71.9	-119	3.9	109.4	P90 W94 E128	P90-R92 PolarHBondContact O-N 3.07Å; R92-W94 VanDerWaalsContact C-N 3.34Å; R92-W94 WeakPolarHBondContact CD-O 3.2Å; R92-W94 WeakPolarHBondContact CG-O 3.34Å; R92-E128 IonicContact CZ-OE1 3.36Å; R92-E128 IonicContact NE-OE1 3.57Å; R92-E128 PolarHBondContact NE-OE1 2.79Å; R92-E128 IonicContact NE-OE2 3.43Å; R92-E128 PolarHBondContact NE-OE2 3.21Å; R92-E128 IonicContact NH2-OE1 3.92Å; R92-E128 PolarHBondContact NH2-OE1 2.67Å
93	P	90.8	Very high	89.1	Confident	85 Å²	85	62 Å²	62	55%	0.552	32%	0.319	S	S	*	.	S	Bend	trans	-75.7	-23.1	178	30.3	-35.1	0	0	0	113	L80	L80-P93 PolarHBondContact N-O 3.17Å
94	W	93.7	Very high	89.8	Confident	112 Å²	112	60.2 Å²	60.2	42%	0.424	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	164.6	175.8	55.3	-95.4	0	0	0	110.8	F78 R92	F78-W94 CarbonylContact O-C 3.44Å; F78-W94 WeakPolarHBondContact O-CA 3.29Å; F78-W94 WeakPolarHBondContact O-CB 3.16Å; R92-W94 VanDerWaalsContact C-N 3.34Å; R92-W94 WeakPolarHBondContact CD-O 3.2Å; R92-W94 WeakPolarHBondContact CG-O 3.34Å
95	V	94.5	Very high	90.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.2	169.5	56.7	0	0	0	0	109	R77 F78 E99 I100 I117	R77-V95 CarbonylContact C-O 3.57Å; R77-V95 VanDerWaalsContact CA-O 3.3Å; R77-V95 WeakPolarHBondContact CA-O 3.28Å; R77-V95 WeakPolarHBondContact CB-O 3.28Å; F78-V95 HydrophobicContact CB-CG1 3.82Å; F78-V95 HydrophobicContact CD1-CG1 3.77Å; F78-V95 HydrophobicContact CG-CG1 4.3Å; F78-V95 PolarHBondContact N-O 3.31Å; F78-V95 PolarHBondContact O-N 2.81Å; V95-E99 HydrophobicContact CG2-CB 4.05Å; V95-I100 HydrophobicContact CG1-CD1 4.13Å; V95-I100 HydrophobicContact CG1-CG1 4.42Å; V95-I100 HydrophobicContact CG2-CG1 3.97Å; V95-I117 HydrophobicContact CG2-CD1 4.02Å; V95-I117 HydrophobicContact CG2-CG1 4.2Å; V95-I117 HydrophobicContact CG2-CG2 4.01Å
96	S	94.9	Very high	91.7	Very high	22 Å²	22	50.6 Å²	50.6	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.1	176.2	179.4	0	0	0	0	110.1	D76 K98 E99	D76-S96 WeakPolarHBondContact O-CA 3.41Å; D76-S96 PolarHBondContact O-OG 2.96Å; S96-K98 PolarHBondContact O-N 3.24Å; S96-K98 VanDerWaalsContact O-N 3.13Å; S96-K98 PolarHBondContact OG-N 2.96Å; S96-E99 PolarHBondContact N-OE2 2.86Å; S96-E99 PolarHBondContact O-N 2.88Å
97	Y	95.8	Very high	92.6	Very high	1 Å²	1	52 Å²	52	0%	0.004	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.6	173.2	-60.2	-49.2	0	0	0	112.8	L73 L74 D76 R77 F78 E99 I100 M145 A148 K154 L156	L73-Y97 WeakPolarHBondContact CB-OH 3.29Å; L74-Y97 VanDerWaalsContact O-CE2 3.25Å; L74-Y97 WeakPolarHBondContact O-CE2 3.3Å; L74-Y97 PolarHBondContact O-OH 2.79Å; D76-Y97 PolarHBondContact O-N 2.78Å; D76-Y97 VanDerWaalsContact O-N 3.13Å; R77-Y97 PolarHBondContact O-OH 2.98Å; F78-Y97 HydrophobicContact CB-CE1 4.13Å; Y97-E99 VanDerWaalsContact C-N 3.27Å; Y97-E99 PolarHBondContact O-N 2.85Å; Y97-I100 HydrophobicContact CD1-CD1 4.09Å; Y97-I100 PolarHBondContact O-N 2.93Å; Y97-M145 HydrophobicContact CE1-CG 4.28Å; Y97-A148 HydrophobicContact CD1-CB 4.01Å; Y97-A148 HydrophobicContact CD2-CB 3.51Å; Y97-A148 HydrophobicContact CE1-CB 4.25Å; Y97-A148 HydrophobicContact CE2-CB 3.75Å; Y97-A148 HydrophobicContact CG-CB 3.65Å; Y97-K154 WeakPolarHBondContact CB-O 3.39Å; Y97-L156 HydrophobicContact CE2-CD1 4.14Å; Y97-L156 HydrophobicContact CE2-CG 4.06Å; Y97-L156 WeakPolarHBondContact OH-CD1 3.27Å
98	K	94.6	Very high	93.6	Very high	111 Å²	111	54.2 Å²	54.2	48%	0.483	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-63.9	-28.2	173.7	-66	-175.6	176.5	-170.8	0	113.7	S96 D153 K154	S96-K98 PolarHBondContact O-N 3.24Å; S96-K98 VanDerWaalsContact O-N 3.13Å; S96-K98 PolarHBondContact OG-N 2.96Å; K98-D153 WeakPolarHBondContact CE-O 3.37Å; K98-K154 HydrophobicContact CB-CB 4.48Å; K98-K154 HydrophobicContact CG-CB 3.5Å; K98-K154 HydrophobicContact CG-CG 3.77Å
99	E	95.3	Very high	94.1	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.065	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-88.4	-15.1	-179.7	-63.6	-178.3	106.1	0	0	112.2	V95 S96 Y97 M101 I117 D118 S119 Q120	V95-E99 HydrophobicContact CG2-CB 4.05Å; S96-E99 PolarHBondContact N-OE2 2.86Å; S96-E99 PolarHBondContact O-N 2.88Å; Y97-E99 VanDerWaalsContact C-N 3.27Å; Y97-E99 PolarHBondContact O-N 2.85Å; E99-M101 PolarHBondContact O-N 2.91Å; E99-I117 HydrophobicContact CB-CG2 4.09Å; E99-I117 CarbonylContact O-C 3.17Å; E99-I117 WeakPolarHBondContact O-CA 3.29Å; E99-D118 WeakPolarHBondContact CB-O 3.49Å; E99-D118 PolarHBondContact O-N 3.4Å; E99-S119 VanDerWaalsContact OE1-CA 3.26Å; E99-S119 WeakPolarHBondContact OE1-CA 3.4Å; E99-S119 PolarHBondContact OE1-OG 2.91Å; E99-S119 VanDerWaalsContact OE1-OG 3.1Å; E99-Q120 HydrophobicContact CG-CG 4.17Å; E99-Q120 PolarHBondContact OE1-N 2.92Å
100	I	96.4	Very high	94.6	Very high	7 Å²	7	50 Å²	50	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.9	-179.6	-54.5	177.5	0	0	0	108.7	V95 Y97 L115 I117 M145 M149	V95-I100 HydrophobicContact CG1-CD1 4.13Å; V95-I100 HydrophobicContact CG1-CG1 4.42Å; V95-I100 HydrophobicContact CG2-CG1 3.97Å; Y97-I100 HydrophobicContact CD1-CD1 4.09Å; Y97-I100 PolarHBondContact O-N 2.93Å; I100-L115 HydrophobicContact CD1-CD1 4.22Å; I100-L115 HydrophobicContact CG2-CD2 4.26Å; I100-I117 HydrophobicContact CG1-CG1 4.48Å; I100-M145 HydrophobicContact CD1-SD 4.45Å; I100-M149 HydrophobicContact CB-SD 4.2Å; I100-M149 HydrophobicContact CG2-CE 4.11Å; I100-M149 HydrophobicContact CG2-SD 3.62Å; I100-M149 WeakPolarHBondContact O-CE 3.33Å
101	M	95.4	Very high	95	Very high	87 Å²	87	52.5 Å²	52.5	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-41.6	-179.9	-59.8	-56.2	-67.4	0	0	111.9	F49 E99 C116 D118 M149	F49-M101 HydrophobicContact CD2-CB 3.95Å; F49-M101 HydrophobicContact CD2-CG 4.22Å; F49-M101 HydrophobicContact CE2-CB 3.95Å; F49-M101 HydrophobicContact CE2-CG 3.81Å; E99-M101 PolarHBondContact O-N 2.91Å; M101-C116 PolarHBondContact N-O 2.99Å; M101-D118 HydrophobicContact CG-CB 3.77Å; M101-D118 HydrophobicContact SD-CB 4.27Å; M101-M149 WeakPolarHBondContact O-CE 3.47Å
102	H	96.7	Very high	95.4	Very high	72 Å²	72	51.1 Å²	51.1	33%	0.333	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.2	-179.4	-54.5	-69.1	0	0	0	112.4	Y104 C116	H102-Y104 HydrophobicContact CB-CD2 4.22Å; H102-Y104 HydrophobicContact CB-CE1 4.38Å; H102-Y104 HydrophobicContact CB-CE2 3.54Å; H102-Y104 AromaticContact CG-CZ 3.96Å; H102-C116 HydrophobicContact CB-CB 3.86Å; H102-C116 PolarHBondContact N-O 3.2Å; H102-C116 PolarHBondContact O-N 2.77Å
103	F	97.1	Very high	95.7	Very high	11 Å²	11	49.5 Å²	49.5	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.5	175.1	-172.8	-76.5	0	0	0	108.9	V105 F113 L115 V141 E142 M145	F103-V105 HydrophobicContact CD1-CG2 4Å; F103-V105 HydrophobicContact CE1-CG2 3.42Å; F103-V105 VanDerWaalsContact CE1-CG2 3.42Å; F103-V105 HydrophobicContact CZ-CG2 4.47Å; F103-F113 HydrophobicContact CD2-CD2 4.26Å; F103-F113 HydrophobicContact CE1-CB 3.94Å; F103-F113 HydrophobicContact CE1-CD2 4.36Å; F103-F113 HydrophobicContact CE1-CG 4.3Å; F103-F113 HydrophobicContact CE2-CB 4.46Å; F103-F113 AromaticContact CE2-CD2 3.39Å; F103-F113 HydrophobicContact CE2-CD2 3.39Å; F103-F113 AromaticContact CE2-CE2 3.71Å; F103-F113 HydrophobicContact CE2-CE2 3.71Å; F103-F113 HydrophobicContact CE2-CG 4.03Å; F103-F113 HydrophobicContact CZ-CB 3.74Å; F103-F113 HydrophobicContact CZ-CD1 4.32Å; F103-F113 AromaticContact CZ-CD2 3.45Å; F103-F113 HydrophobicContact CZ-CD2 3.45Å; F103-F113 VanDerWaalsContact CZ-CD2 3.45Å; F103-F113 HydrophobicContact CZ-CE2 4.07Å; F103-F113 AromaticContact CZ-CG 3.59Å; F103-F113 HydrophobicContact CZ-CG 3.59Å; F103-L115 HydrophobicContact CB-CD2 4.44Å; F103-L115 HydrophobicContact CD2-CD2 3.19Å; F103-L115 HydrophobicContact CE2-CD2 3.65Å; F103-L115 HydrophobicContact CG-CD2 4.11Å; F103-V141 HydrophobicContact CE2-CG1 4.16Å; F103-V141 HydrophobicContact CZ-CG1 4.35Å; F103-E142 HydrophobicContact CD1-CB 4.16Å; F103-E142 HydrophobicContact CD1-CG 3.84Å; F103-E142 HydrophobicContact CE1-CB 3.51Å; F103-E142 HydrophobicContact CE1-CG 3.66Å; F103-E142 HydrophobicContact CZ-CB 3.91Å; F103-E142 HydrophobicContact CZ-CG 4.5Å; F103-M145 HydrophobicContact CD2-CB 4.25Å; F103-M145 HydrophobicContact CD2-SD 3.53Å; F103-M145 VanDerWaalsContact CD2-SD 3.53Å; F103-M145 HydrophobicContact CE2-SD 3.42Å; F103-M145 WeakPolarHBondContact CE2-SD 3.36Å
104	Y	97.5	Very high	96.1	Very high	36 Å²	36	45.5 Å²	45.5	14%	0.141	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.6	-178.9	-61.6	-60.1	0	0	0	111.1	E51 A54 H102 F113 A114 C116	E51-Y104 HydrophobicContact CB-CD1 3.94Å; E51-Y104 HydrophobicContact CB-CE1 3.54Å; E51-Y104 HydrophobicContact CB-CE2 4.26Å; E51-Y104 HydrophobicContact CB-CG 4.46Å; E51-Y104 HydrophobicContact CG-CD1 3.6Å; E51-Y104 HydrophobicContact CG-CE1 3.71Å; E51-Y104 HydrophobicContact CG-CG 4.16Å; A54-Y104 HydrophobicContact CB-CD2 3.48Å; A54-Y104 VanDerWaalsContact CB-CD2 3.48Å; A54-Y104 HydrophobicContact CB-CE2 4.19Å; A54-Y104 HydrophobicContact CB-CG 4.17Å; H102-Y104 HydrophobicContact CB-CD2 4.22Å; H102-Y104 HydrophobicContact CB-CE1 4.38Å; H102-Y104 HydrophobicContact CB-CE2 3.54Å; H102-Y104 AromaticContact CG-CZ 3.96Å; Y104-F113 CarbonylContact O-C 3.56Å; Y104-F113 WeakPolarHBondContact O-CA 3.45Å; Y104-F113 WeakPolarHBondContact O-CB 3.45Å; Y104-A114 PolarHBondContact N-O 3.14Å; Y104-A114 PolarHBondContact O-N 3.48Å; Y104-C116 VanDerWaalsContact CE2-SG 3.59Å
105	V	97.3	Very high	96.3	Very high	31 Å²	31	40.1 Å²	40.1	19%	0.188	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.3	176.7	-178	0	0	0	0	109.2	L55 F103 F113 V138	L55-V105 WeakPolarHBondContact CD2-O 3.45Å; F103-V105 HydrophobicContact CD1-CG2 4Å; F103-V105 HydrophobicContact CE1-CG2 3.42Å; F103-V105 VanDerWaalsContact CE1-CG2 3.42Å; F103-V105 HydrophobicContact CZ-CG2 4.47Å; V105-F113 HydrophobicContact CG2-CB 4.34Å; V105-V138 HydrophobicContact CG1-CG1 4.03Å; V105-V138 HydrophobicContact CG2-CG1 3.87Å
106	S	96.3	Very high	96.4	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.035	20%	0.201	C	C	.	.			trans	-78.5	126.5	175.2	-168.3	0	0	0	0	112.3	S108 R109 P110 F112	S106-S108 PolarHBondContact OG-OG 3.17Å; S106-R109 CarbonylContact O-C 3.53Å; S106-R109 PolarHBondContact O-N 3.09Å; S106-P110 WeakPolarHBondContact O-CA 3.13Å; S106-F112 PolarHBondContact N-O 2.83Å; S106-F112 VanDerWaalsContact N-O 3.14Å
107	H	94.1	Very high	96.5	Very high	161 Å²	161	39.1 Å²	39.1	75%	0.745	19%	0.193	S	C	*	.	S	Bend	trans	-66.9	-38.2	173.9	-60.8	95.3	0	0	0	112.6	R109	H107-R109 VanDerWaalsContact C-N 3.31Å
108	S	94.7	Very high	96.5	Very high	78 Å²	78	41.6 Å²	41.6	55%	0.545	21%	0.207	S	C	.	.	S	Bend	trans	-70.7	-28.5	177.5	57.2	0	0	0	0	112.6	E59 S106	E59-S108 PolarHBondContact OE1-OG 2.89Å; S106-S108 PolarHBondContact OG-OG 3.17Å
109	R	95.3	Very high	96.4	Very high	70 Å²	70	36.4 Å²	36.4	26%	0.264	18%	0.184	S	C	.	.			trans	-142.8	79.8	-173.7	-65.6	-162.2	177.9	109.3	4.4	110	E59 H62 S106 H107 E111 F112	E59-R109 IonicContact OE1-NH1 3.01Å; E59-R109 PolarHBondContact OE1-NH1 3.42Å; E59-R109 IonicContact OE2-CZ 3.75Å; E59-R109 IonicContact OE2-NH1 3.61Å; E59-R109 PolarHBondContact OE2-NH1 3.12Å; E59-R109 IonicContact OE2-NH2 3.45Å; H62-R109 PolarHBondContact CD2-NH1 3.37Å; H62-R109 PolarHBondContact CE1-NH1 3.43Å; H62-R109 PolarHBondContact CE1-NH2 3.46Å; H62-R109 PolarHBondContact ND1-NH1 2.7Å; H62-R109 VanDerWaalsContact ND1-NH1 3.12Å; H62-R109 PolarHBondContact NE2-NH2 2.81Å; S106-R109 CarbonylContact O-C 3.53Å; S106-R109 PolarHBondContact O-N 3.09Å; H107-R109 VanDerWaalsContact C-N 3.31Å; R109-E111 PolarHBondContact O-N 3.23Å; R109-F112 HydrophobicContact CB-CD2 3.76Å; R109-F112 HydrophobicContact CB-CE2 4.4Å; R109-F112 PolarHBondContact O-N 3.4Å
110	P	96.8	Very high	96.1	Very high	59 Å²	59	42 Å²	42	38%	0.383	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-4.4	-173.9	28.8	-37.2	0	0	0	113.8	S106 F112 A135 V138	S106-P110 WeakPolarHBondContact O-CA 3.13Å; P110-F112 VanDerWaalsContact C-N 3.27Å; P110-A135 HydrophobicContact CB-CB 3.74Å; P110-A135 HydrophobicContact CG-CB 3.88Å; P110-V138 WeakPolarHBondContact O-CB 3.14Å; P110-V138 WeakPolarHBondContact O-CG2 2.89Å
111	E	97.2	Very high	95.6	Very high	66 Å²	66	50.2 Å²	50.2	31%	0.308	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.2	170.1	-39.6	-81.7	-156.5	0	0	112.8	R109 K131 C132 S134 A135	R109-E111 PolarHBondContact O-N 3.23Å; E111-K131 HydrophobicContact CB-CG 4.32Å; E111-K131 CarbonylContact O-C 3.55Å; E111-K131 WeakPolarHBondContact O-CA 3.46Å; E111-C132 PolarHBondContact O-N 2.79Å; E111-S134 WeakPolarHBondContact OE2-CA 3.43Å; E111-S134 PolarHBondContact OE2-N 3.5Å; E111-A135 PolarHBondContact OE2-N 3.16Å
112	F	98	Very high	95.3	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.053	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.7	-172.3	-69.9	-103.4	0	0	0	111.3	I38 I58 H62 S106 R109 P110 I129 Y130 K131	I38-F112 HydrophobicContact CD1-CE1 4.15Å; I38-F112 HydrophobicContact CG1-CD1 4.25Å; I38-F112 HydrophobicContact CG1-CE1 3.96Å; I58-F112 HydrophobicContact CG2-CB 3.73Å; I58-F112 HydrophobicContact CG2-CD1 4.36Å; I58-F112 HydrophobicContact CG2-CG 4.18Å; H62-F112 HydrophobicContact CB-CE1 3.86Å; H62-F112 HydrophobicContact CB-CZ 3.88Å; S106-F112 PolarHBondContact N-O 2.83Å; S106-F112 VanDerWaalsContact N-O 3.14Å; R109-F112 HydrophobicContact CB-CD2 3.76Å; R109-F112 HydrophobicContact CB-CE2 4.4Å; R109-F112 PolarHBondContact O-N 3.4Å; P110-F112 VanDerWaalsContact C-N 3.27Å; F112-I129 HydrophobicContact CD1-CG2 4.37Å; F112-Y130 WeakPolarHBondContact CA-O 3.28Å; F112-K131 HydrophobicContact CD1-CB 3.84Å; F112-K131 HydrophobicContact CD1-CG 4.01Å; F112-K131 HydrophobicContact CD2-CG 4.04Å; F112-K131 HydrophobicContact CE1-CB 3.76Å; F112-K131 HydrophobicContact CE1-CD 3.95Å; F112-K131 HydrophobicContact CE1-CG 3.77Å; F112-K131 HydrophobicContact CE2-CD 3.86Å; F112-K131 HydrophobicContact CE2-CG 3.81Å; F112-K131 HydrophobicContact CG-CB 4.34Å; F112-K131 HydrophobicContact CG-CG 4.15Å; F112-K131 HydrophobicContact CZ-CB 4.2Å; F112-K131 HydrophobicContact CZ-CD 3.51Å; F112-K131 HydrophobicContact CZ-CG 3.68Å
113	F	98	Very high	94.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.3	173.5	65.7	-86.2	0	0	0	110.4	I35 F103 Y104 V105 L115 Y130 V138 V141	I35-F113 HydrophobicContact CD1-CE1 4.39Å; I35-F113 HydrophobicContact CD1-CZ 4.13Å; I35-F113 HydrophobicContact CG2-CZ 4.43Å; F103-F113 HydrophobicContact CD2-CD2 4.26Å; F103-F113 HydrophobicContact CE1-CB 3.94Å; F103-F113 HydrophobicContact CE1-CD2 4.36Å; F103-F113 HydrophobicContact CE1-CG 4.3Å; F103-F113 HydrophobicContact CE2-CB 4.46Å; F103-F113 AromaticContact CE2-CD2 3.39Å; F103-F113 HydrophobicContact CE2-CD2 3.39Å; F103-F113 AromaticContact CE2-CE2 3.71Å; F103-F113 HydrophobicContact CE2-CE2 3.71Å; F103-F113 HydrophobicContact CE2-CG 4.03Å; F103-F113 HydrophobicContact CZ-CB 3.74Å; F103-F113 HydrophobicContact CZ-CD1 4.32Å; F103-F113 AromaticContact CZ-CD2 3.45Å; F103-F113 HydrophobicContact CZ-CD2 3.45Å; F103-F113 VanDerWaalsContact CZ-CD2 3.45Å; F103-F113 HydrophobicContact CZ-CE2 4.07Å; F103-F113 AromaticContact CZ-CG 3.59Å; F103-F113 HydrophobicContact CZ-CG 3.59Å; Y104-F113 CarbonylContact O-C 3.56Å; Y104-F113 WeakPolarHBondContact O-CA 3.45Å; Y104-F113 WeakPolarHBondContact O-CB 3.45Å; V105-F113 HydrophobicContact CG2-CB 4.34Å; F113-L115 HydrophobicContact CD2-CD2 4.08Å; F113-L115 HydrophobicContact CD2-CG 4.28Å; F113-L115 HydrophobicContact CE2-CD1 4.44Å; F113-L115 HydrophobicContact CE2-CD2 4.08Å; F113-L115 HydrophobicContact CE2-CG 4.07Å; F113-Y130 HydrophobicContact CD2-CD2 4.23Å; F113-Y130 VanDerWaalsContact CE1-CB 3.49Å; F113-Y130 AromaticContact CE2-CD2 3.66Å; F113-Y130 HydrophobicContact CE2-CD2 3.66Å; F113-Y130 AromaticContact CE2-CG 3.8Å; F113-Y130 HydrophobicContact CE2-CG 3.8Å; F113-Y130 HydrophobicContact CZ-CD2 4.16Å; F113-Y130 AromaticContact CZ-CG 3.8Å; F113-Y130 HydrophobicContact CZ-CG 3.8Å; F113-Y130 PolarHBondContact N-O 3.3Å; F113-Y130 VanDerWaalsContact N-O 3.09Å; F113-Y130 PolarHBondContact O-N 2.77Å; F113-V138 HydrophobicContact CB-CG1 4.2Å; F113-V138 HydrophobicContact CD1-CG1 4.1Å; F113-V138 HydrophobicContact CD1-CG2 4.17Å; F113-V138 HydrophobicContact CG-CG1 4.47Å; F113-V141 HydrophobicContact CZ-CG1 4.34Å
114	A	97.9	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134	176.1	0	0	0	0	0	110.3	A54 I58 Y104 E128	A54-A114 HydrophobicContact CB-CB 4.09Å; I58-A114 HydrophobicContact CD1-CB 3.96Å; I58-A114 HydrophobicContact CG1-CB 4.19Å; Y104-A114 PolarHBondContact N-O 3.14Å; Y104-A114 PolarHBondContact O-N 3.48Å; A114-E128 CarbonylContact C-O 3.56Å; A114-E128 VanDerWaalsContact CA-O 3.28Å; A114-E128 WeakPolarHBondContact CA-O 3.45Å
115	L	97.8	Very high	94.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.2	169.6	-58.3	-175.7	0	0	0	109.1	F78 I100 F103 F113 I117 E128 Y130 M145	F78-L115 HydrophobicContact CD1-CD1 4.26Å; F78-L115 HydrophobicContact CE1-CD1 4.35Å; I100-L115 HydrophobicContact CD1-CD1 4.22Å; I100-L115 HydrophobicContact CG2-CD2 4.26Å; F103-L115 HydrophobicContact CB-CD2 4.44Å; F103-L115 HydrophobicContact CD2-CD2 3.19Å; F103-L115 HydrophobicContact CE2-CD2 3.65Å; F103-L115 HydrophobicContact CG-CD2 4.11Å; F113-L115 HydrophobicContact CD2-CD2 4.08Å; F113-L115 HydrophobicContact CD2-CG 4.28Å; F113-L115 HydrophobicContact CE2-CD1 4.44Å; F113-L115 HydrophobicContact CE2-CD2 4.08Å; F113-L115 HydrophobicContact CE2-CG 4.07Å; L115-I117 HydrophobicContact CB-CD1 3.98Å; L115-I117 HydrophobicContact CB-CG1 3.95Å; L115-I117 HydrophobicContact CD1-CD1 4.42Å; L115-E128 PolarHBondContact N-O 3.25Å; L115-E128 PolarHBondContact O-N 3.42Å; L115-Y130 HydrophobicContact CB-CE2 4.2Å; L115-Y130 HydrophobicContact CD1-CD2 4.13Å; L115-Y130 HydrophobicContact CD1-CE2 3.63Å; L115-Y130 HydrophobicContact CG-CD2 3.99Å; L115-Y130 HydrophobicContact CG-CE2 3.81Å; L115-M145 HydrophobicContact CD1-CE 4.39Å; L115-M145 HydrophobicContact CD2-SD 3.92Å
116	C	97.5	Very high	94.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110	167.7	-64	0	0	0	0	107.8	F49 M101 H102 Y104 Y127	F49-C116 HydrophobicContact CB-CB 4.18Å; F49-C116 HydrophobicContact CD1-CB 3.46Å; F49-C116 VanDerWaalsContact CD1-CB 3.46Å; F49-C116 HydrophobicContact CD2-CB 3.91Å; F49-C116 HydrophobicContact CE1-CB 3.67Å; F49-C116 HydrophobicContact CE2-CB 4.1Å; F49-C116 HydrophobicContact CG-CB 3.59Å; F49-C116 HydrophobicContact CZ-CB 3.98Å; M101-C116 PolarHBondContact N-O 2.99Å; H102-C116 HydrophobicContact CB-CB 3.86Å; H102-C116 PolarHBondContact N-O 3.2Å; H102-C116 PolarHBondContact O-N 2.77Å; Y104-C116 VanDerWaalsContact CE2-SG 3.59Å; C116-Y127 WeakPolarHBondContact SG-CE1 3.28Å
117	I	96.8	Very high	94.8	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.9	-171.5	-63.7	164.8	0	0	0	108.8	V95 E99 I100 L115 K125 Y126 E128	V95-I117 HydrophobicContact CG2-CD1 4.02Å; V95-I117 HydrophobicContact CG2-CG1 4.2Å; V95-I117 HydrophobicContact CG2-CG2 4.01Å; E99-I117 HydrophobicContact CB-CG2 4.09Å; E99-I117 CarbonylContact O-C 3.17Å; E99-I117 WeakPolarHBondContact O-CA 3.29Å; I100-I117 HydrophobicContact CG1-CG1 4.48Å; L115-I117 HydrophobicContact CB-CD1 3.98Å; L115-I117 HydrophobicContact CB-CG1 3.95Å; L115-I117 HydrophobicContact CD1-CD1 4.42Å; I117-K125 CarbonylContact O-C 3.55Å; I117-K125 VanDerWaalsContact O-CA 3.31Å; I117-K125 WeakPolarHBondContact O-CA 3.34Å; I117-Y126 PolarHBondContact N-O 3.14Å; I117-Y126 PolarHBondContact O-N 3.04Å; I117-E128 HydrophobicContact CD1-CB 4.16Å; I117-E128 HydrophobicContact CD1-CG 4.03Å; I117-E128 WeakPolarHBondContact CD1-OE2 3.29Å
118	D	95.8	Very high	94.9	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.283	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	97.4	166.8	-161.3	-6.2	0	0	0	108.1	F49 E99 M101 Q120 K125	F49-D118 HydrophobicContact CE2-CB 4.38Å; E99-D118 WeakPolarHBondContact CB-O 3.49Å; E99-D118 PolarHBondContact O-N 3.4Å; M101-D118 HydrophobicContact CG-CB 3.77Å; M101-D118 HydrophobicContact SD-CB 4.27Å; D118-Q120 PolarHBondContact O-N 3.4Å; D118-K125 HydrophobicContact CB-CG 4.24Å; D118-K125 WeakPolarHBondContact OD1-CG 3.45Å; D118-K125 WeakPolarHBondContact OD2-CE 3.19Å; D118-K125 IonicContact OD2-NZ 2.81Å
119	S	93.2	Very high	95.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	118.1	-171	-166.7	0	0	0	0	110.5	E99 R121 S122 L123 Q124	E99-S119 VanDerWaalsContact OE1-CA 3.26Å; E99-S119 WeakPolarHBondContact OE1-CA 3.4Å; E99-S119 PolarHBondContact OE1-OG 2.91Å; E99-S119 VanDerWaalsContact OE1-OG 3.1Å; S119-R121 PolarHBondContact O-N 3.03Å; S119-S122 WeakPolarHBondContact CB-OG 3.42Å; S119-L123 VanDerWaalsContact O-CA 3.27Å; S119-L123 WeakPolarHBondContact O-CA 2.96Å; S119-L123 PolarHBondContact O-N 2.89Å; S119-Q124 WeakPolarHBondContact CB-O 3.49Å; S119-Q124 PolarHBondContact N-O 2.91Å
120	Q	88.8	Confident	95.2	Very high	133 Å²	133	41.4 Å²	41.4	62%	0.621	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.3	176.8	-66.7	178.1	-2.3	0	0	111.5	E99 D118	E99-Q120 HydrophobicContact CG-CG 4.17Å; E99-Q120 PolarHBondContact OE1-N 2.92Å; D118-Q120 PolarHBondContact O-N 3.4Å
121	R	85.4	Confident	95.2	Very high	179 Å²	179	41.3 Å²	41.3	68%	0.675	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-53.2	179	-176.4	176.8	176.8	172.4	2.2	112.7	S119 H288	S119-R121 PolarHBondContact O-N 3.03Å; R121-H288 PolarHBondContact NH2-O 3.12Å
122	S	88.6	Confident	95.2	Very high	45 Å²	45	38.3 Å²	38.3	32%	0.315	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.4	-175.8	59.3	0	0	0	0	113.8	S119 Q124 Y126	S119-S122 WeakPolarHBondContact CB-OG 3.42Å; S122-Q124 PolarHBondContact O-N 3Å; S122-Q124 VanDerWaalsContact O-N 3.12Å; S122-Y126 WeakPolarHBondContact OG-CE2 3.11Å; S122-Y126 PolarHBondContact OG-OH 2.63Å
123	L	89.4	Confident	95	Very high	150 Å²	150	45.7 Å²	45.7	79%	0.785	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	30.1	-174	-54.9	176.9	0	0	0	112.5	S119	S119-L123 VanDerWaalsContact O-CA 3.27Å; S119-L123 WeakPolarHBondContact O-CA 2.96Å; S119-L123 PolarHBondContact O-N 2.89Å
124	Q	93.7	Very high	94.9	Very high	88 Å²	88	47.6 Å²	47.6	41%	0.411	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.5	-178.8	-76.3	-176.8	-0.8	0	0	110.4	T42 S119 S122 Y126	T42-Q124 HydrophobicContact CG2-CB 4.38Å; T42-Q124 HydrophobicContact CG2-CG 4.45Å; S119-Q124 WeakPolarHBondContact CB-O 3.49Å; S119-Q124 PolarHBondContact N-O 2.91Å; S122-Q124 PolarHBondContact O-N 3Å; S122-Q124 VanDerWaalsContact O-N 3.12Å; Q124-Y126 HydrophobicContact CB-CE1 4.08Å; Q124-Y126 HydrophobicContact CB-CE2 3.9Å; Q124-Y126 WeakPolarHBondContact CB-OH 3.36Å; Q124-Y126 WeakPolarHBondContact O-CE2 3.47Å; Q124-Y126 PolarHBondContact OE1-OH 3.19Å
125	K	96.2	Very high	94.8	Very high	69 Å²	69	48.8 Å²	48.8	30%	0.3	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.3	174.2	-70.5	178.1	-175.6	-178.6	0	110.3	C43 F49 I117 D118	C43-K125 HydrophobicContact CB-CB 3.77Å; C43-K125 PolarHBondContact N-O 3.42Å; F49-K125 HydrophobicContact CE1-CB 4.03Å; F49-K125 HydrophobicContact CE2-CB 4.4Å; F49-K125 HydrophobicContact CE2-CD 4.01Å; F49-K125 HydrophobicContact CE2-CG 4.11Å; F49-K125 HydrophobicContact CZ-CB 3.59Å; F49-K125 HydrophobicContact CZ-CD 4.02Å; F49-K125 HydrophobicContact CZ-CG 3.77Å; I117-K125 CarbonylContact O-C 3.55Å; I117-K125 VanDerWaalsContact O-CA 3.31Å; I117-K125 WeakPolarHBondContact O-CA 3.34Å; D118-K125 HydrophobicContact CB-CG 4.24Å; D118-K125 WeakPolarHBondContact OD1-CG 3.45Å; D118-K125 WeakPolarHBondContact OD2-CE 3.19Å; D118-K125 IonicContact OD2-NZ 2.81Å
126	Y	96.9	Very high	94.7	Very high	11 Å²	11	51.5 Å²	51.5	4%	0.043	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.8	-179.9	-54.4	-75.1	0	0	0	111.6	R40 V41 T42 I117 S122 Q124	R40-Y126 HydrophobicContact CG-CD1 3.97Å; R40-Y126 HydrophobicContact CG-CG 4.32Å; V41-Y126 CarbonylContact O-C 3.53Å; V41-Y126 VanDerWaalsContact O-CA 3.31Å; V41-Y126 WeakPolarHBondContact O-CA 3.29Å; T42-Y126 HydrophobicContact CG2-CD1 4.15Å; T42-Y126 HydrophobicContact CG2-CE1 3.84Å; T42-Y126 WeakPolarHBondContact OG1-CE1 3.3Å; I117-Y126 PolarHBondContact N-O 3.14Å; I117-Y126 PolarHBondContact O-N 3.04Å; S122-Y126 WeakPolarHBondContact OG-CE2 3.11Å; S122-Y126 PolarHBondContact OG-OH 2.63Å; Q124-Y126 HydrophobicContact CB-CE1 4.08Å; Q124-Y126 HydrophobicContact CB-CE2 3.9Å; Q124-Y126 WeakPolarHBondContact CB-OH 3.36Å; Q124-Y126 WeakPolarHBondContact O-CE2 3.47Å; Q124-Y126 PolarHBondContact OE1-OH 3.19Å
127	Y	97.7	Very high	94.6	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118	155.2	-67.1	-89.7	0	0	0	108.3	R40 V41 C43 F49 S50 K53 A54 L57 C116	R40-Y127 CarbonylContact C-O 3.52Å; R40-Y127 WeakPolarHBondContact CA-O 3.35Å; V41-Y127 PolarHBondContact N-O 2.88Å; V41-Y127 PolarHBondContact O-N 3.47Å; C43-Y127 WeakPolarHBondContact SG-CD2 3.49Å; C43-Y127 WeakPolarHBondContact SG-CE2 3.2Å; F49-Y127 VanDerWaalsContact CA-OH 3.3Å; F49-Y127 WeakPolarHBondContact CA-OH 3.5Å; F49-Y127 HydrophobicContact CD1-CD1 4.48Å; F49-Y127 AromaticContact CD1-CE1 3.89Å; F49-Y127 HydrophobicContact CD1-CE1 3.89Å; F49-Y127 HydrophobicContact CD1-CE2 4.02Å; F49-Y127 AromaticContact CD1-CZ 3.65Å; F49-Y127 HydrophobicContact CE1-CE2 4.37Å; S50-Y127 PolarHBondContact N-OH 3.27Å; K53-Y127 HydrophobicContact CD-CE2 3.72Å; K53-Y127 HydrophobicContact CG-CE2 4.18Å; A54-Y127 HydrophobicContact CB-CD1 3.93Å; A54-Y127 HydrophobicContact CB-CE1 3.9Å; L57-Y127 HydrophobicContact CD1-CD1 4.2Å; L57-Y127 HydrophobicContact CD1-CD2 3.9Å; L57-Y127 HydrophobicContact CD1-CG 3.68Å; C116-Y127 WeakPolarHBondContact SG-CE1 3.28Å
128	E	97.3	Very high	94.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.2	176.6	-70.4	-173.6	175.6	0	0	110.5	R40 F91 R92 A114 L115 I117 Y130	R40-E128 HydrophobicContact CB-CG 4.2Å; R40-E128 WeakPolarHBondContact CD-OE1 3.27Å; R40-E128 HydrophobicContact CG-CG 3.78Å; F91-E128 HydrophobicContact CD2-CG 4.25Å; R92-E128 IonicContact CZ-OE1 3.36Å; R92-E128 IonicContact NE-OE1 3.57Å; R92-E128 PolarHBondContact NE-OE1 2.79Å; R92-E128 IonicContact NE-OE2 3.43Å; R92-E128 PolarHBondContact NE-OE2 3.21Å; R92-E128 IonicContact NH2-OE1 3.92Å; R92-E128 PolarHBondContact NH2-OE1 2.67Å; A114-E128 CarbonylContact C-O 3.56Å; A114-E128 VanDerWaalsContact CA-O 3.28Å; A114-E128 WeakPolarHBondContact CA-O 3.45Å; L115-E128 PolarHBondContact N-O 3.25Å; L115-E128 PolarHBondContact O-N 3.42Å; I117-E128 HydrophobicContact CD1-CB 4.16Å; I117-E128 HydrophobicContact CD1-CG 4.03Å; I117-E128 WeakPolarHBondContact CD1-OE2 3.29Å; E128-Y130 HydrophobicContact CB-CD2 4.39Å; E128-Y130 HydrophobicContact CB-CE2 3.46Å; E128-Y130 VanDerWaalsContact CB-CE2 3.46Å; E128-Y130 WeakPolarHBondContact O-CD2 3.5Å; E128-Y130 PolarHBondContact OE2-OH 3.35Å
129	I	97.9	Very high	94.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.1	-175.2	-54.4	167.7	0	0	0	109.7	I38 Y39 L57 I58 Y61 F112	I38-I129 HydrophobicContact CB-CB 4.11Å; I38-I129 HydrophobicContact CB-CG2 3.89Å; I38-I129 WeakPolarHBondContact CB-O 3.33Å; I38-I129 HydrophobicContact CG1-CG2 4.29Å; I38-I129 HydrophobicContact CG2-CG2 4.19Å; I38-I129 PolarHBondContact N-O 3.36Å; Y39-I129 PolarHBondContact O-N 2.83Å; L57-I129 HydrophobicContact CB-CD1 4Å; L57-I129 WeakPolarHBondContact O-CD1 3.28Å; I58-I129 HydrophobicContact CG1-CG1 4.37Å; I58-I129 HydrophobicContact CG1-CG2 3.99Å; Y61-I129 HydrophobicContact CD2-CD1 4.25Å; F112-I129 HydrophobicContact CD1-CG2 4.37Å
130	Y	97.9	Very high	94.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.2	-176.3	-64.2	-81.9	0	0	0	111.1	I35 C36 T37 F78 L80 F112 F113 L115 E128	I35-Y130 HydrophobicContact CG2-CD1 3.81Å; I35-Y130 HydrophobicContact CG2-CG 4.28Å; C36-Y130 WeakPolarHBondContact O-CA 3.42Å; T37-Y130 HydrophobicContact CG2-CD1 4.09Å; T37-Y130 HydrophobicContact CG2-CE1 3.74Å; F78-Y130 HydrophobicContact CE1-CE1 4.34Å; L80-Y130 HydrophobicContact CD1-CE1 3.69Å; L80-Y130 HydrophobicContact CD2-CE1 4.37Å; F112-Y130 WeakPolarHBondContact CA-O 3.28Å; F113-Y130 HydrophobicContact CD2-CD2 4.23Å; F113-Y130 VanDerWaalsContact CE1-CB 3.49Å; F113-Y130 AromaticContact CE2-CD2 3.66Å; F113-Y130 HydrophobicContact CE2-CD2 3.66Å; F113-Y130 AromaticContact CE2-CG 3.8Å; F113-Y130 HydrophobicContact CE2-CG 3.8Å; F113-Y130 HydrophobicContact CZ-CD2 4.16Å; F113-Y130 AromaticContact CZ-CG 3.8Å; F113-Y130 HydrophobicContact CZ-CG 3.8Å; F113-Y130 PolarHBondContact N-O 3.3Å; F113-Y130 VanDerWaalsContact N-O 3.09Å; F113-Y130 PolarHBondContact O-N 2.77Å; L115-Y130 HydrophobicContact CB-CE2 4.2Å; L115-Y130 HydrophobicContact CD1-CD2 4.13Å; L115-Y130 HydrophobicContact CD1-CE2 3.63Å; L115-Y130 HydrophobicContact CG-CD2 3.99Å; L115-Y130 HydrophobicContact CG-CE2 3.81Å; E128-Y130 HydrophobicContact CB-CD2 4.39Å; E128-Y130 HydrophobicContact CB-CE2 3.46Å; E128-Y130 VanDerWaalsContact CB-CE2 3.46Å; E128-Y130 WeakPolarHBondContact O-CD2 3.5Å; E128-Y130 PolarHBondContact OE2-OH 3.35Å
131	K	97.4	Very high	95	Very high	57 Å²	57	58.2 Å²	58.2	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.1	176.4	-171	-161	175.7	-179.5	0	111	I35 C36 I38 E111 F112	I35-K131 CarbonylContact C-O 3.59Å; I35-K131 WeakPolarHBondContact CA-O 3.3Å; C36-K131 HydrophobicContact CB-CB 4.29Å; C36-K131 PolarHBondContact N-O 3.3Å; C36-K131 PolarHBondContact O-N 3.13Å; I38-K131 HydrophobicContact CD1-CB 3.79Å; I38-K131 HydrophobicContact CG1-CB 3.88Å; E111-K131 HydrophobicContact CB-CG 4.32Å; E111-K131 CarbonylContact O-C 3.55Å; E111-K131 WeakPolarHBondContact O-CA 3.46Å; F112-K131 HydrophobicContact CD1-CB 3.84Å; F112-K131 HydrophobicContact CD1-CG 4.01Å; F112-K131 HydrophobicContact CD2-CG 4.04Å; F112-K131 HydrophobicContact CE1-CB 3.76Å; F112-K131 HydrophobicContact CE1-CD 3.95Å; F112-K131 HydrophobicContact CE1-CG 3.77Å; F112-K131 HydrophobicContact CE2-CD 3.86Å; F112-K131 HydrophobicContact CE2-CG 3.81Å; F112-K131 HydrophobicContact CG-CB 4.34Å; F112-K131 HydrophobicContact CG-CG 4.15Å; F112-K131 HydrophobicContact CZ-CB 4.2Å; F112-K131 HydrophobicContact CZ-CD 3.51Å; F112-K131 HydrophobicContact CZ-CG 3.68Å
132	C	96.9	Very high	95.5	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	170	169.5	-74.2	0	0	0	0	112	E111 N137 V138	E111-C132 PolarHBondContact O-N 2.79Å; C132-N137 HydrophobicContact CB-CB 3.99Å; C132-V138 HydrophobicContact CB-CG2 3.53Å
133	K	94.1	Very high	95.8	Very high	168 Å²	168	54.1 Å²	54.1	73%	0.73	26%	0.263	S	S	*	.	S	Bend	trans	-70.2	-35	173.2	-174.7	177.6	177.7	-176.4	0	112.9
134	S	95.8	Very high	96	Very high	40 Å²	40	47.9 Å²	47.9	28%	0.28	23%	0.23	S	C	.	.	S	Bend	trans	-141.1	153.1	-178.7	65.2	0	0	0	0	110.7	E111 A136 N137 V138	E111-S134 WeakPolarHBondContact OE2-CA 3.43Å; E111-S134 PolarHBondContact OE2-N 3.5Å; S134-A136 PolarHBondContact O-N 2.9Å; S134-N137 WeakPolarHBondContact O-CB 3.34Å; S134-N137 PolarHBondContact O-N 2.94Å; S134-N137 PolarHBondContact OG-N 2.78Å; S134-N137 PolarHBondContact OG-OD1 2.79Å; S134-V138 PolarHBondContact O-N 3.1Å
135	A	96.1	Very high	96	Very high	24 Å²	24	43.7 Å²	43.7	20%	0.198	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-32.9	171.7	0	0	0	0	0	112.7	P110 E111 N137 V138 R139	P110-A135 HydrophobicContact CB-CB 3.74Å; P110-A135 HydrophobicContact CG-CB 3.88Å; E111-A135 PolarHBondContact OE2-N 3.16Å; A135-N137 VanDerWaalsContact C-N 3.29Å; A135-N137 PolarHBondContact O-N 2.85Å; A135-V138 WeakPolarHBondContact O-CB 3.06Å; A135-V138 PolarHBondContact O-N 3.16Å; A135-V138 VanDerWaalsContact O-N 3.17Å; A135-R139 PolarHBondContact O-N 3.25Å
136	A	95.9	Very high	95.9	Very high	57 Å²	57	46.2 Å²	46.2	47%	0.471	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-37.7	175.1	0	0	0	0	0	112	S134 R139 K140	S134-A136 PolarHBondContact O-N 2.9Å; A136-R139 PolarHBondContact O-N 3.13Å; A136-K140 WeakPolarHBondContact O-CG 3.32Å; A136-K140 PolarHBondContact O-N 3.45Å
137	N	95.4	Very high	95.7	Very high	39 Å²	39	52 Å²	52	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-37.2	175.3	-71	-0	0	0	0	111.4	T33 C132 S134 A135 R139 K140 V141	T33-N137 PolarHBondContact OG1-ND2 2.84Å; C132-N137 HydrophobicContact CB-CB 3.99Å; S134-N137 WeakPolarHBondContact O-CB 3.34Å; S134-N137 PolarHBondContact O-N 2.94Å; S134-N137 PolarHBondContact OG-N 2.78Å; S134-N137 PolarHBondContact OG-OD1 2.79Å; A135-N137 VanDerWaalsContact C-N 3.29Å; A135-N137 PolarHBondContact O-N 2.85Å; N137-R139 VanDerWaalsContact C-N 3.33Å; N137-R139 PolarHBondContact O-N 3.47Å; N137-K140 PolarHBondContact O-N 3.15Å; N137-V141 VanDerWaalsContact O-CG2 3.28Å; N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 3.12Å
138	V	97.1	Very high	95.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-45.3	174.5	-179.5	0	0	0	0	110.6	V105 P110 F113 C132 S134 A135 K140 V141 E142	V105-V138 HydrophobicContact CG1-CG1 4.03Å; V105-V138 HydrophobicContact CG2-CG1 3.87Å; P110-V138 WeakPolarHBondContact O-CB 3.14Å; P110-V138 WeakPolarHBondContact O-CG2 2.89Å; F113-V138 HydrophobicContact CB-CG1 4.2Å; F113-V138 HydrophobicContact CD1-CG1 4.1Å; F113-V138 HydrophobicContact CD1-CG2 4.17Å; F113-V138 HydrophobicContact CG-CG1 4.47Å; C132-V138 HydrophobicContact CB-CG2 3.53Å; S134-V138 PolarHBondContact O-N 3.1Å; A135-V138 WeakPolarHBondContact O-CB 3.06Å; A135-V138 PolarHBondContact O-N 3.16Å; A135-V138 VanDerWaalsContact O-N 3.17Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 3.41Å; V138-V141 PolarHBondContact O-N 2.78Å; V138-E142 VanDerWaalsContact O-CB 3.27Å; V138-E142 WeakPolarHBondContact O-CB 3.1Å; V138-E142 PolarHBondContact O-N 3.31Å
139	R	96.1	Very high	95.2	Very high	178 Å²	178	53.2 Å²	53.2	67%	0.672	25%	0.246	S	C	*	.	H	α-helix	trans	-59.2	-43.2	177.7	-68.3	179.8	-173.1	174.3	0.9	112.7	A135 A136 N137 E142 E143	A135-R139 PolarHBondContact O-N 3.25Å; A136-R139 PolarHBondContact O-N 3.13Å; N137-R139 VanDerWaalsContact C-N 3.33Å; N137-R139 PolarHBondContact O-N 3.47Å; R139-E142 PolarHBondContact O-N 2.88Å; R139-E143 VanDerWaalsContact O-CB 3.29Å; R139-E143 WeakPolarHBondContact O-CB 3.26Å; R139-E143 PolarHBondContact O-N 3.21Å
140	K	94.4	Very high	94.9	Very high	112 Å²	112	59.6 Å²	59.6	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-43.7	176	-69.2	-178.4	178.4	-169.2	0	112.2	L31 A136 N137 V138 L144	L31-K140 HydrophobicContact CD2-CB 4.01Å; A136-K140 WeakPolarHBondContact O-CG 3.32Å; A136-K140 PolarHBondContact O-N 3.45Å; N137-K140 PolarHBondContact O-N 3.15Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 3.41Å; K140-L144 WeakPolarHBondContact O-CG 3.41Å; K140-L144 PolarHBondContact O-N 2.97Å; K140-L144 VanDerWaalsContact O-N 3.14Å
141	V	95.4	Very high	94.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-45.3	177.2	172.1	0	0	0	0	110.6	L31 T33 I35 L73 F103 F113 N137 V138 L144 M145	L31-V141 HydrophobicContact CD2-CG2 3.76Å; T33-V141 HydrophobicContact CG2-CG2 3.93Å; I35-V141 HydrophobicContact CD1-CG2 4.32Å; L73-V141 HydrophobicContact CD1-CG2 4.32Å; L73-V141 HydrophobicContact CD2-CG1 4.5Å; F103-V141 HydrophobicContact CE2-CG1 4.16Å; F103-V141 HydrophobicContact CZ-CG1 4.35Å; F113-V141 HydrophobicContact CZ-CG1 4.34Å; N137-V141 VanDerWaalsContact O-CG2 3.28Å; N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 3.12Å; V138-V141 PolarHBondContact O-N 2.78Å; V141-L144 PolarHBondContact O-N 3.17Å; V141-M145 HydrophobicContact CG1-CE 3.8Å; V141-M145 HydrophobicContact CG1-CG 4.21Å; V141-M145 HydrophobicContact CG1-SD 3.93Å; V141-M145 VanDerWaalsContact O-CB 3.28Å; V141-M145 WeakPolarHBondContact O-CB 3.39Å; V141-M145 VanDerWaalsContact O-CG 3.29Å; V141-M145 WeakPolarHBondContact O-CG 3.4Å; V141-M145 PolarHBondContact O-N 3.05Å
142	E	95.9	Very high	94.3	Very high	38 Å²	38	64.4 Å²	64.4	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-47.7	177.2	179.1	178.9	-159.4	0	0	111.4	F103 V138 R139 M145 R146	F103-E142 HydrophobicContact CD1-CB 4.16Å; F103-E142 HydrophobicContact CD1-CG 3.84Å; F103-E142 HydrophobicContact CE1-CB 3.51Å; F103-E142 HydrophobicContact CE1-CG 3.66Å; F103-E142 HydrophobicContact CZ-CB 3.91Å; F103-E142 HydrophobicContact CZ-CG 4.5Å; V138-E142 VanDerWaalsContact O-CB 3.27Å; V138-E142 WeakPolarHBondContact O-CB 3.1Å; V138-E142 PolarHBondContact O-N 3.31Å; R139-E142 PolarHBondContact O-N 2.88Å; E142-M145 PolarHBondContact O-N 2.82Å; E142-R146 HydrophobicContact CG-CG 4.45Å; E142-R146 VanDerWaalsContact O-CB 3.29Å; E142-R146 WeakPolarHBondContact O-CB 3.18Å; E142-R146 VanDerWaalsContact O-CG 3.3Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 3.45Å; E142-R146 IonicContact OE1-CZ 2.54Å; E142-R146 IonicContact OE1-NE 2.81Å; E142-R146 IonicContact OE1-NH1 3.92Å; E142-R146 PolarHBondContact OE1-NH1 3.35Å; E142-R146 IonicContact OE1-NH2 2.73Å; E142-R146 PolarHBondContact OE1-NH2 2.83Å
143	E	94.3	Very high	94.1	Very high	100 Å²	100	68.6 Å²	68.6	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-52.1	179	177.6	175.1	-164.3	0	0	111.5	R139 R146 R147	R139-E143 VanDerWaalsContact O-CB 3.29Å; R139-E143 WeakPolarHBondContact O-CB 3.26Å; R139-E143 PolarHBondContact O-N 3.21Å; E143-R146 PolarHBondContact O-N 2.89Å; E143-R147 VanDerWaalsContact O-CG 3.29Å; E143-R147 WeakPolarHBondContact O-CG 3.43Å; E143-R147 PolarHBondContact O-N 2.87Å; E143-R147 IonicContact OE1-CZ 2.66Å; E143-R147 IonicContact OE1-NE 3.21Å; E143-R147 IonicContact OE1-NH2 3.45Å; E143-R147 PolarHBondContact OE1-NH2 2.8Å
144	L	93.3	Very high	93.9	Very high	19 Å²	19	64.3 Å²	64.3	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-44.9	178.7	-71.6	172	0	0	0	111.6	F30 L31 L73 K140 V141 R146 R147 A148 L156	F30-L144 HydrophobicContact CB-CD1 4.38Å; L31-L144 HydrophobicContact CB-CD1 3.55Å; L31-L144 HydrophobicContact CD2-CD1 3.94Å; L31-L144 HydrophobicContact CG-CD1 4.36Å; L73-L144 HydrophobicContact CD2-CB 3.41Å; L73-L144 VanDerWaalsContact CD2-CB 3.41Å; L73-L144 HydrophobicContact CD2-CD1 3.83Å; L73-L144 HydrophobicContact CD2-CG 4.28Å; K140-L144 WeakPolarHBondContact O-CG 3.41Å; K140-L144 PolarHBondContact O-N 2.97Å; K140-L144 VanDerWaalsContact O-N 3.14Å; V141-L144 PolarHBondContact O-N 3.17Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.81Å; L144-R147 PolarHBondContact O-N 2.94Å; L144-A148 PolarHBondContact O-N 3.15Å; L144-L156 HydrophobicContact CB-CD1 4.35Å; L144-L156 HydrophobicContact CB-CD2 4.46Å; L144-L156 HydrophobicContact CD2-CD2 4.29Å; L144-L156 VanDerWaalsContact O-CD2 3.28Å; L144-L156 WeakPolarHBondContact O-CD2 3.3Å
145	M	94.1	Very high	93.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-40.3	177.9	-76.1	-168.4	177.3	0	0	112	L73 F78 Y97 I100 F103 L115 V141 E142 A148 M149	L73-M145 HydrophobicContact CD2-CG 4.16Å; F78-M145 HydrophobicContact CB-CE 3.79Å; F78-M145 HydrophobicContact CD1-CE 3.67Å; F78-M145 HydrophobicContact CD2-CE 3.34Å; F78-M145 HydrophobicContact CE1-CE 4Å; F78-M145 HydrophobicContact CE2-CE 3.67Å; F78-M145 HydrophobicContact CG-CE 3.32Å; F78-M145 HydrophobicContact CZ-CE 4Å; Y97-M145 HydrophobicContact CE1-CG 4.28Å; I100-M145 HydrophobicContact CD1-SD 4.45Å; F103-M145 HydrophobicContact CD2-CB 4.25Å; F103-M145 HydrophobicContact CD2-SD 3.53Å; F103-M145 VanDerWaalsContact CD2-SD 3.53Å; F103-M145 HydrophobicContact CE2-SD 3.42Å; F103-M145 WeakPolarHBondContact CE2-SD 3.36Å; L115-M145 HydrophobicContact CD1-CE 4.39Å; L115-M145 HydrophobicContact CD2-SD 3.92Å; V141-M145 HydrophobicContact CG1-CE 3.8Å; V141-M145 HydrophobicContact CG1-CG 4.21Å; V141-M145 HydrophobicContact CG1-SD 3.93Å; V141-M145 VanDerWaalsContact O-CB 3.28Å; V141-M145 WeakPolarHBondContact O-CB 3.39Å; V141-M145 VanDerWaalsContact O-CG 3.29Å; V141-M145 WeakPolarHBondContact O-CG 3.4Å; V141-M145 PolarHBondContact O-N 3.05Å; E142-M145 PolarHBondContact O-N 2.82Å; M145-A148 PolarHBondContact O-N 2.98Å; M145-M149 WeakPolarHBondContact O-CB 3.33Å; M145-M149 WeakPolarHBondContact O-CG 3.35Å; M145-M149 PolarHBondContact O-N 2.87Å
146	R	93.7	Very high	93.2	Very high	122 Å²	122	65.6 Å²	65.6	46%	0.46	32%	0.315	S	S	.	.	H	α-helix	trans	-66.8	-40	176.3	-76.7	-173.2	179.1	172.3	8.1	112.3	E142 E143 L144 A148 M149 N150	E142-R146 HydrophobicContact CG-CG 4.45Å; E142-R146 VanDerWaalsContact O-CB 3.29Å; E142-R146 WeakPolarHBondContact O-CB 3.18Å; E142-R146 VanDerWaalsContact O-CG 3.3Å; E142-R146 WeakPolarHBondContact O-CG 3.47Å; E142-R146 PolarHBondContact O-N 3.45Å; E142-R146 IonicContact OE1-CZ 2.54Å; E142-R146 IonicContact OE1-NE 2.81Å; E142-R146 IonicContact OE1-NH1 3.92Å; E142-R146 PolarHBondContact OE1-NH1 3.35Å; E142-R146 IonicContact OE1-NH2 2.73Å; E142-R146 PolarHBondContact OE1-NH2 2.83Å; E143-R146 PolarHBondContact O-N 2.89Å; L144-R146 VanDerWaalsContact C-N 3.33Å; L144-R146 PolarHBondContact O-N 2.81Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-M149 PolarHBondContact O-N 2.93Å; R146-N150 VanDerWaalsContact O-CB 3.31Å; R146-N150 WeakPolarHBondContact O-CB 3.39Å; R146-N150 PolarHBondContact O-N 2.85Å; R146-N150 PolarHBondContact O-ND2 3.17Å
147	R	92.9	Very high	92.4	Very high	133 Å²	133	67.9 Å²	67.9	50%	0.502	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-49.5	172	-72	175.1	-168.8	-163.7	3.1	110.5	E143 L144 M149 N150 D151 L156	E143-R147 VanDerWaalsContact O-CG 3.29Å; E143-R147 WeakPolarHBondContact O-CG 3.43Å; E143-R147 PolarHBondContact O-N 2.87Å; E143-R147 IonicContact OE1-CZ 2.66Å; E143-R147 IonicContact OE1-NE 3.21Å; E143-R147 IonicContact OE1-NH2 3.45Å; E143-R147 PolarHBondContact OE1-NH2 2.8Å; L144-R147 PolarHBondContact O-N 2.94Å; R147-M149 VanDerWaalsContact C-N 3.35Å; R147-M149 PolarHBondContact O-N 3.4Å; R147-N150 PolarHBondContact O-N 3.49Å; R147-D151 PolarHBondContact O-N 3.13Å; R147-D151 VanDerWaalsContact O-N 3.11Å; R147-L156 HydrophobicContact CB-CD2 4.15Å
148	A	93.3	Very high	91.1	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-39.8	177.9	0	0	0	0	0	112.8	Y97 L144 M145 R146 K154 L156	Y97-A148 HydrophobicContact CD1-CB 4.01Å; Y97-A148 HydrophobicContact CD2-CB 3.51Å; Y97-A148 HydrophobicContact CE1-CB 4.25Å; Y97-A148 HydrophobicContact CE2-CB 3.75Å; Y97-A148 HydrophobicContact CG-CB 3.65Å; L144-A148 PolarHBondContact O-N 3.15Å; M145-A148 PolarHBondContact O-N 2.98Å; R146-A148 VanDerWaalsContact C-N 3.33Å; A148-K154 CarbonylContact O-C 3.48Å; A148-K154 WeakPolarHBondContact O-CA 3.44Å; A148-L156 HydrophobicContact CB-CD2 3.79Å; A148-L156 HydrophobicContact CB-CG 3.78Å
149	M	92	Very high	89.3	Confident	25 Å²	25	73.3 Å²	73.3	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-73.8	-27.9	179.9	-73.7	173	61.5	0	0	113	I100 M101 M145 R146 R147 K154	I100-M149 HydrophobicContact CB-SD 4.2Å; I100-M149 HydrophobicContact CG2-CE 4.11Å; I100-M149 HydrophobicContact CG2-SD 3.62Å; I100-M149 WeakPolarHBondContact O-CE 3.33Å; M101-M149 WeakPolarHBondContact O-CE 3.47Å; M145-M149 WeakPolarHBondContact O-CB 3.33Å; M145-M149 WeakPolarHBondContact O-CG 3.35Å; M145-M149 PolarHBondContact O-N 2.87Å; R146-M149 PolarHBondContact O-N 2.93Å; R147-M149 VanDerWaalsContact C-N 3.35Å; R147-M149 PolarHBondContact O-N 3.4Å; M149-K154 WeakPolarHBondContact O-CD 3.36Å; M149-K154 PolarHBondContact O-NZ 3.47Å
150	N	91.9	Very high	87.2	Confident	136 Å²	136	69.9 Å²	69.9	73%	0.727	34%	0.342	S	S	*	.	H	α-helix	trans	-85.7	-16.8	178.5	-69.5	-20.6	0	0	0	112.7	R146 R147	R146-N150 VanDerWaalsContact O-CB 3.31Å; R146-N150 WeakPolarHBondContact O-CB 3.39Å; R146-N150 PolarHBondContact O-N 2.85Å; R146-N150 PolarHBondContact O-ND2 3.17Å; R147-N150 PolarHBondContact O-N 3.49Å
151	D	91.7	Very high	85	Confident	38 Å²	38	66 Å²	66	20%	0.203	33%	0.331	C	S	.	.	S	Bend	trans	-67.1	138.8	175.5	-175.6	75.6	0	0	0	111.8	R147 D153 K154 K155 H157	R147-D151 PolarHBondContact O-N 3.13Å; R147-D151 VanDerWaalsContact O-N 3.11Å; D151-D153 VanDerWaalsContact C-N 3.3Å; D151-D153 PolarHBondContact O-N 3.49Å; D151-D153 WeakPolarHBondContact OD2-CA 3.42Å; D151-D153 WeakPolarHBondContact OD2-CB 3.1Å; D151-D153 PolarHBondContact OD2-N 3.35Å; D151-K154 WeakPolarHBondContact O-CD 3.36Å; D151-K154 PolarHBondContact O-N 3.05Å; D151-K154 VanDerWaalsContact O-N 3.09Å; D151-K154 PolarHBondContact OD2-N 3.29Å; D151-K155 WeakPolarHBondContact CB-O 3.45Å; D151-K155 PolarHBondContact OD2-N 2.84Å; D151-H157 IonicContact OD1-CD2 3.43Å; D151-H157 PolarHBondContact OD1-CD2 2.98Å; D151-H157 IonicContact OD1-NE2 2.7Å; D151-H157 IonicContact OD2-CD2 2.63Å; D151-H157 IonicContact OD2-NE2 3.51Å; D151-H157 PolarHBondContact OD2-NE2 3.31Å
152	P	90.8	Very high	82.9	Confident	119 Å²	119	66.9 Å²	66.9	77%	0.773	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.6	179	-25.5	34.9	0	0	0	113.8	K154	P152-K154 VanDerWaalsContact C-N 3.25Å; P152-K154 PolarHBondContact O-N 3.17Å
153	D	91.2	Very high	80.4	Confident	92 Å²	92	75.6 Å²	75.6	49%	0.492	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4	-179.7	-75.5	-24.1	0	0	0	112.8	K98 D151 K155	K98-D153 WeakPolarHBondContact CE-O 3.37Å; D151-D153 VanDerWaalsContact C-N 3.3Å; D151-D153 PolarHBondContact O-N 3.49Å; D151-D153 WeakPolarHBondContact OD2-CA 3.42Å; D151-D153 WeakPolarHBondContact OD2-CB 3.1Å; D151-D153 PolarHBondContact OD2-N 3.35Å; D153-K155 HydrophobicContact CB-CD 4.19Å; D153-K155 HydrophobicContact CB-CG 4.33Å
154	K	89.9	Confident	78	Confident	78 Å²	78	79 Å²	79	34%	0.339	38%	0.383	S	S	.	.	S	Bend	trans	57.5	47	-173.1	-55.9	-69.5	177.3	178.2	0	111.8	Y97 K98 A148 M149 D151 P152	Y97-K154 WeakPolarHBondContact CB-O 3.39Å; K98-K154 HydrophobicContact CB-CB 4.48Å; K98-K154 HydrophobicContact CG-CB 3.5Å; K98-K154 HydrophobicContact CG-CG 3.77Å; A148-K154 CarbonylContact O-C 3.48Å; A148-K154 WeakPolarHBondContact O-CA 3.44Å; M149-K154 WeakPolarHBondContact O-CD 3.36Å; M149-K154 PolarHBondContact O-NZ 3.47Å; D151-K154 WeakPolarHBondContact O-CD 3.36Å; D151-K154 PolarHBondContact O-N 3.05Å; D151-K154 VanDerWaalsContact O-N 3.09Å; D151-K154 PolarHBondContact OD2-N 3.29Å; P152-K154 VanDerWaalsContact C-N 3.25Å; P152-K154 PolarHBondContact O-N 3.17Å
155	K	89.8	Confident	75.7	Confident	80 Å²	80	80.2 Å²	80.2	35%	0.348	39%	0.39	S	S	.	.			trans	-129.8	153.6	-177.2	-72.2	177.8	-177.3	177	0	111.9	E75 D76 D151 D153 H157	E75-K155 CarbonylContact O-C 3.52Å; E75-K155 WeakPolarHBondContact O-CA 3.44Å; E75-K155 WeakPolarHBondContact O-CB 2.96Å; D76-K155 HydrophobicContact CB-CG 4.23Å; D151-K155 WeakPolarHBondContact CB-O 3.45Å; D151-K155 PolarHBondContact OD2-N 2.84Å; D153-K155 HydrophobicContact CB-CD 4.19Å; D153-K155 HydrophobicContact CB-CG 4.33Å; K155-H157 WeakPolarHBondContact CB-NE2 3.49Å; K155-H157 PolarHBondContact O-N 3.44Å
156	L	87.7	Confident	73.1	Confident	10 Å²	10	84.1 Å²	84.1	5%	0.052	42%	0.423	C	S	.	.			trans	-81.8	105.3	163.6	-73.4	177.4	0	0	0	108.2	F30 L73 E75 Y97 L144 R147 A148	F30-L156 HydrophobicContact CB-CD1 4.09Å; F30-L156 HydrophobicContact CD1-CB 4.22Å; F30-L156 HydrophobicContact CD1-CD1 4.4Å; F30-L156 HydrophobicContact CD2-CB 3.97Å; F30-L156 HydrophobicContact CD2-CD1 3.92Å; F30-L156 HydrophobicContact CE1-CB 3.94Å; F30-L156 HydrophobicContact CE2-CB 3.7Å; F30-L156 HydrophobicContact CE2-CD1 4.5Å; F30-L156 HydrophobicContact CG-CB 4.24Å; F30-L156 HydrophobicContact CG-CD1 3.88Å; F30-L156 HydrophobicContact CZ-CB 3.69Å; F30-L156 WeakPolarHBondContact CZ-O 3.37Å; L73-L156 HydrophobicContact CB-CD1 4.28Å; E75-L156 PolarHBondContact O-N 3.28Å; Y97-L156 HydrophobicContact CE2-CD1 4.14Å; Y97-L156 HydrophobicContact CE2-CG 4.06Å; Y97-L156 WeakPolarHBondContact OH-CD1 3.27Å; L144-L156 HydrophobicContact CB-CD1 4.35Å; L144-L156 HydrophobicContact CB-CD2 4.46Å; L144-L156 HydrophobicContact CD2-CD2 4.29Å; L144-L156 VanDerWaalsContact O-CD2 3.28Å; L144-L156 WeakPolarHBondContact O-CD2 3.3Å; R147-L156 HydrophobicContact CB-CD2 4.15Å; A148-L156 HydrophobicContact CB-CD2 3.79Å; A148-L156 HydrophobicContact CB-CG 3.78Å
157	H	79.7	Confident	70.8	Confident	106 Å²	106	82.6 Å²	82.6	49%	0.491	43%	0.427	S	S	.	.			trans	-92.6	153.4	163.9	-59.2	-74.9	0	0	0	108.4	D151 K155	D151-H157 IonicContact OD1-CD2 3.43Å; D151-H157 PolarHBondContact OD1-CD2 2.98Å; D151-H157 IonicContact OD1-NE2 2.7Å; D151-H157 IonicContact OD2-CD2 2.63Å; D151-H157 IonicContact OD2-NE2 3.51Å; D151-H157 PolarHBondContact OD2-NE2 3.31Å; K155-H157 WeakPolarHBondContact CB-NE2 3.49Å; K155-H157 PolarHBondContact O-N 3.44Å
158	D	68.3	Low	68.2	Low	89 Å²	89	85.9 Å²	85.9	48%	0.476	44%	0.444	S	S	.	.			trans	104.3	96.9	172.2	-157.2	2	0	0	0	116.9	F30 N160 A161	F30-D158 VanDerWaalsContact CE1-O 3.29Å; F30-D158 WeakPolarHBondContact CE1-O 3.44Å; D158-N160 PolarHBondContact O-N 3.4Å; D158-N160 VanDerWaalsContact O-N 3.16Å; D158-N160 VanDerWaalsContact OD1-CB 3.27Å; D158-N160 WeakPolarHBondContact OD1-CB 3.32Å; D158-N160 PolarHBondContact OD1-N 3.02Å; D158-N160 PolarHBondContact OD1-ND2 3.17Å; D158-A161 PolarHBondContact O-N 2.91Å
159	V	58.4	Low	65.5	Low	64 Å²	64	92.5 Å²	92.5	39%	0.388	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.3	174.1	-178.8	0	0	0	0	112.1	I19 Y28 A161 L162	I19-V159 HydrophobicContact CD1-CG1 3.93Å; I19-V159 HydrophobicContact CG1-CG1 4.4Å; Y28-V159 HydrophobicContact CE2-CG2 4.38Å; V159-A161 PolarHBondContact O-N 2.79Å; V159-A161 VanDerWaalsContact O-N 3.13Å; V159-L162 HydrophobicContact CB-CD1 4.37Å; V159-L162 HydrophobicContact CG1-CD1 3.98Å; V159-L162 WeakPolarHBondContact O-CB 3.44Å; V159-L162 PolarHBondContact O-N 2.82Å
160	N	51.9	Low	63	Low	107 Å²	107	95.8 Å²	95.8	57%	0.572	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.8	179.3	-71.2	-41.7	0	0	0	113.8	D158 L162	D158-N160 PolarHBondContact O-N 3.4Å; D158-N160 VanDerWaalsContact O-N 3.16Å; D158-N160 VanDerWaalsContact OD1-CB 3.27Å; D158-N160 WeakPolarHBondContact OD1-CB 3.32Å; D158-N160 PolarHBondContact OD1-N 3.02Å; D158-N160 PolarHBondContact OD1-ND2 3.17Å; N160-L162 VanDerWaalsContact C-N 3.32Å
161	A	48.3	Very low	60.3	Low	31 Å²	31	96.1 Å²	96.1	26%	0.256	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-71.6	-23.3	172.6	0	0	0	0	0	113.6	F30 D158 V159 R163 Q164	F30-A161 HydrophobicContact CD1-CB 3.95Å; D158-A161 PolarHBondContact O-N 2.91Å; V159-A161 PolarHBondContact O-N 2.79Å; V159-A161 VanDerWaalsContact O-N 3.13Å; A161-R163 VanDerWaalsContact C-N 3.34Å; A161-R163 PolarHBondContact O-N 2.97Å; A161-Q164 PolarHBondContact O-N 3.23Å
162	L	51.5	Low	57.7	Low	17 Å²	17	104.7 Å²	104.7	9%	0.089	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-72.5	-25	-176.9	-76.2	148	0	0	0	113.1	I19 L20 Y28 L29 V159 N160 Q164 V165	I19-L162 HydrophobicContact CG2-CB 4.23Å; I19-L162 HydrophobicContact CG2-CD1 3.27Å; I19-L162 HydrophobicContact CG2-CD2 3.82Å; I19-L162 HydrophobicContact CG2-CG 3.95Å; L20-L162 HydrophobicContact CB-CD2 3.98Å; L20-L162 WeakPolarHBondContact O-CD2 3.49Å; Y28-L162 HydrophobicContact CD1-CD1 3.69Å; Y28-L162 HydrophobicContact CE1-CD1 4.44Å; Y28-L162 HydrophobicContact CG-CD1 3.95Å; L29-L162 WeakPolarHBondContact O-CD2 3.39Å; V159-L162 HydrophobicContact CB-CD1 4.37Å; V159-L162 HydrophobicContact CG1-CD1 3.98Å; V159-L162 WeakPolarHBondContact O-CB 3.44Å; V159-L162 PolarHBondContact O-N 2.82Å; N160-L162 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 3.32Å; L162-Q164 VanDerWaalsContact O-N 3.09Å; L162-V165 PolarHBondContact O-N 2.96Å
163	R	44.4	Very low	55.1	Low	222 Å²	222	107.7 Å²	107.7	84%	0.838	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-63.2	-13.5	173.8	-73.1	-174.4	177.2	-174.3	0.1	113.4	A161	A161-R163 VanDerWaalsContact C-N 3.34Å; A161-R163 PolarHBondContact O-N 2.97Å
164	Q	42.5	Very low	52.3	Low	172 Å²	172	114.3 Å²	114.3	80%	0.804	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-103	-3.3	179.5	-73.5	-170.3	10.4	0	0	115.1	A161 L162 A166	A161-Q164 PolarHBondContact O-N 3.23Å; L162-Q164 PolarHBondContact O-N 3.32Å; L162-Q164 VanDerWaalsContact O-N 3.09Å; Q164-A166 PolarHBondContact O-N 3.14Å
165	V	45.1	Very low	49.7	Very low	44 Å²	44	115.6 Å²	115.6	27%	0.267	58%	0.581	S	S	.	*	S	Bend	trans	-77.8	70.4	160.4	-166.5	0	0	0	0	106.6	L20 L162 V167	L20-V165 HydrophobicContact CD2-CB 3.99Å; L20-V165 HydrophobicContact CD2-CG1 3.52Å; L20-V165 HydrophobicContact CD2-CG2 4.3Å; L162-V165 PolarHBondContact O-N 2.96Å; V165-V167 PolarHBondContact O-N 3.27Å
166	A	40.9	Very low	47.4	Very low	82 Å²	82	119.8 Å²	119.8	68%	0.678	61%	0.607	S	S	*	*			trans	-57.6	98.2	169.5	0	0	0	0	0	106.2	Q164 K168	Q164-A166 PolarHBondContact O-N 3.14Å; A166-K168 PolarHBondContact O-N 2.65Å
167	V	44.1	Very low	44.9	Very low	89 Å²	89	124.6 Å²	124.6	54%	0.539	64%	0.639	S	S	.	*			trans	-46.3	115.9	149	-179.3	0	0	0	0	102.9	V165 D169	V165-V167 PolarHBondContact O-N 3.27Å; V167-D169 PolarHBondContact O-N 3.41Å
168	K	39.8	Very low	42.7	Very low	202 Å²	202	125.4 Å²	125.4	88%	0.878	65%	0.647	S	S	*	*			trans	-62.3	88.1	164.7	-96.3	-173.1	170.9	-171.5	0	104.7	A166 S170	A166-K168 PolarHBondContact O-N 2.65Å; K168-S170 PolarHBondContact O-N 3.15Å
169	D	36.4	Very low	41.4	Very low	139 Å²	139	131.1 Å²	131.1	74%	0.743	67%	0.668	S	S	*	*			trans	-70.3	69.5	165.5	-79.7	-37.9	0	0	0	106.8	V167 D171	V167-D169 PolarHBondContact O-N 3.41Å; D169-D171 PolarHBondContact O-N 3.29Å
170	S	38.8	Very low	40.4	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	69%	0.685	S	S	*	*			trans	-76.7	112.9	149.8	-129.6	0	0	0	0	105	K168	K168-S170 PolarHBondContact O-N 3.15Å
171	D	35.4	Very low	40.1	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	70%	0.698	S	S	*	*	S	Bend	trans	107.7	29.9	150.5	-45.8	-20.4	0	0	0	119	D169	D169-D171 PolarHBondContact O-N 3.29Å
172	R	37.5	Very low	39.9	Very low	218 Å²	218	146.3 Å²	146.3	82%	0.823	73%	0.725	S	S	*	*			trans	-144.1	57.6	163.5	-71	-168	171.6	178.9	-5.1	115	R174	R172-R174 VanDerWaalsContact C-N 3.35Å; R172-R174 PolarHBondContact O-N 3.17Å; R172-R174 VanDerWaalsContact O-N 3.14Å
173	I	35.1	Very low	39.3	Very low	181 Å²	181	151.8 Å²	151.8	93%	0.928	76%	0.755	S	S	*	*			trans	-76.7	96.2	154.8	-58.2	177.4	0	0	0	106.5
174	R	33.5	Very low	39.3	Very low	231 Å²	231	148.1 Å²	148.1	87%	0.872	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-90.5	116.6	165.5	-153.9	177.8	-169.3	-143.3	1.4	106	R172	R172-R174 VanDerWaalsContact C-N 3.35Å; R172-R174 PolarHBondContact O-N 3.17Å; R172-R174 VanDerWaalsContact O-N 3.14Å
175	S	35.8	Very low	39.2	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-47.2	129.8	177.6	49.2	0	0	0	0	112.7
176	L	39.6	Very low	39.2	Very low	168 Å²	168	154.6 Å²	154.6	88%	0.88	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-82	138.6	161.2	-71.3	171.9	0	0	0	109.4
177	P	36	Very low	39.4	Very low	112 Å²	112	156.5 Å²	156.5	73%	0.727	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-88	150.8	174.2	34.8	-29.9	0	0	0	111.8
178	N	32.8	Very low	39.4	Very low	123 Å²	123	160.5 Å²	160.5	66%	0.658	80%	0.798	S	S	*	*			trans	47.7	110.4	157.5	-82.3	24.2	0	0	0	120.1
179	F	42.3	Very low	39.8	Very low	209 Å²	209	156.4 Å²	156.4	92%	0.917	79%	0.79	S	S	*	*				-126	109.9	123.3	-101.5	-93	0	0	0	107.3
180	E	37.8	Very low	40.3	Very low	163 Å²	163	157.9 Å²	157.9	76%	0.762	79%	0.792	S	S	*	*			trans	-78.3	132.6	163.6	-68.7	174.6	143.7	0	0	107.4
181	E	44.5	Very low	40.4	Very low	180 Å²	180	158.3 Å²	158.3	84%	0.841	79%	0.787	S	S	*	*			trans	-149.9	126.1	153.6	-120.5	168.4	-166.9	0	0	110.6
182	E	44.9	Very low	40.8	Very low	177 Å²	177	161.8 Å²	161.8	83%	0.827	79%	0.79	S	S	*	*			trans	-21.1	128.9	178.7	-69.9	168.5	132.8	0	0	118.6
183	N	37.3	Very low	41.1	Very low	132 Å²	132	156.8 Å²	156.8	71%	0.706	79%	0.788	S	S	*	*				74.6	92.6	67.2	-162.9	18.6	0	0	0	114
184	V	45.1	Very low	41.9	Very low	146 Å²	146	154 Å²	154	89%	0.885	78%	0.782	S	S	*	*			trans	-147	132.8	142.6	-174.5	0	0	0	0	109.4
185	R	41.4	Very low	42.5	Very low	206 Å²	206	148.5 Å²	148.5	78%	0.777	78%	0.779	S	S	*	*			trans	-82	179.3	-172.8	-67	174.9	157.1	156.1	-6.1	114
186	D	44.8	Very low	43.5	Very low	146 Å²	146	148.8 Å²	148.8	78%	0.781	78%	0.778	S	S	*	*			trans	92.4	129.7	152.7	-65.7	-11.9	0	0	0	115.9
187	T	45.4	Very low	43.8	Very low	122 Å²	122	146.4 Å²	146.4	75%	0.748	77%	0.773	S	S	*	*			cis	-165.8	160.2	6.5	-75.8	0	0	0	0	109.8
188	M	44.1	Very low	44.4	Very low	172 Å²	172	151.5 Å²	151.5	85%	0.847	78%	0.779	S	S	*	*			trans	-47.6	158.7	177.2	-53.7	177.2	-178.7	0	0	116.1
189	V	47	Very low	44.8	Very low	116 Å²	116	154.7 Å²	154.7	70%	0.703	79%	0.79	S	S	*	*				173	124.2	84	160.8	0	0	0	0	106.4
190	E	46.8	Very low	45.1	Very low	170 Å²	170	155.3 Å²	155.3	79%	0.794	79%	0.788	S	S	*	*				64.9	137.5	109	-122.6	174.1	-169.8	0	0	114.2
191	D	42.3	Very low	45.8	Very low	105 Å²	105	153.1 Å²	153.1	56%	0.561	79%	0.788	S	S	*	*			cis	-176.2	158.2	31.8	-161.2	1.4	0	0	0	109.6
192	R	43.2	Very low	46.3	Very low	216 Å²	216	150 Å²	150	82%	0.815	79%	0.786	S	S	*	*			trans	85.9	114.8	154.1	-45.8	-165.9	-179.2	-173.5	-1.4	124.7
193	S	44.3	Very low	47.1	Very low	112 Å²	112	147.2 Å²	147.2	78%	0.783	78%	0.783	S	S	*	*			trans	-67.7	-166.9	164.3	-38.5	0	0	0	0	115.4
194	P	50.3	Low	48.1	Very low	124 Å²	124	146.4 Å²	146.4	81%	0.805	79%	0.785	S	S	*	*			cis	-129.7	172.1	-25.5	22.3	2.1	0	0	0	114.3
195	S	47.4	Very low	48.5	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	78%	0.781	S	S	*	*			trans	-62.7	168	-168.2	-25.5	0	0	0	0	119.4
196	P	55.7	Low	49	Very low	110 Å²	110	142 Å²	142	71%	0.714	78%	0.783	S	S	*	*			trans	-120.3	162.5	142.8	31.1	-15.5	0	0	0	113.8
197	P	46.4	Very low	49.3	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	79%	0.788	S	S	*	*			trans	-94.4	145.6	-159.4	36.2	-31.4	0	0	0	112.9
198	Y	49.2	Very low	49.3	Very low	220 Å²	220	149.6 Å²	149.6	86%	0.863	80%	0.795	S	S	*	*			trans	-131.1	130.8	165.4	-89.3	-83.6	0	0	0	112.6
199	Q	40.9	Very low	49.6	Very low	190 Å²	190	148.8 Å²	148.8	89%	0.888	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.8	131.8	-175.2	-69.5	158.4	-38.4	0	0	111.9
200	Y	49.6	Very low	49.8	Very low	221 Å²	221	149 Å²	149	87%	0.867	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-94.5	134.6	165.5	-94.4	-91.2	0	0	0	110.2
201	P	52	Low	49.8	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-76.1	133.2	169.2	-2.7	19.8	0	0	0	110.4
202	S	53.6	Low	50.3	Low	114 Å²	114	146.7 Å²	146.7	80%	0.797	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-61.5	139.2	178.8	-29.3	0	0	0	0	112.8
203	P	62.8	Low	51	Low	118 Å²	118	142.7 Å²	142.7	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80.4	154.1	164.1	25.1	-17.4	0	0	0	111.6
204	P	57.9	Low	51	Low	116 Å²	116	146 Å²	146	75%	0.753	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.5	164.6	-172.3	32.2	-34.8	0	0	0	112.8	V206	P204-V206 PolarHBondContact O-N 2.93Å
205	P	53.1	Low	50.8	Low	122 Å²	122	146.3 Å²	146.3	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.2	131.1	-163.6	28	-34	0	0	0	112.7	R207	P205-R207 PolarHBondContact O-N 3.32Å
206	V	53.1	Low	51	Low	137 Å²	137	144.5 Å²	144.5	83%	0.83	80%	0.801	S	S	*	*			trans	-65	112.7	172.2	-179	0	0	0	0	108.7	P204 Q208	P204-V206 PolarHBondContact O-N 2.93Å; V206-Q208 PolarHBondContact O-N 2.9Å; V206-Q208 VanDerWaalsContact O-N 3.12Å
207	R	50.1	Low	50.5	Low	233 Å²	233	145.1 Å²	145.1	88%	0.879	81%	0.805	S	S	*	*			trans	-58.8	113.9	168.4	-84.9	-176.3	169.2	-172.3	-2.7	109	P205 L209	P205-R207 PolarHBondContact O-N 3.32Å; R207-L209 PolarHBondContact O-N 3.09Å; R207-L209 VanDerWaalsContact O-N 3.09Å
208	Q	45.5	Very low	50.2	Low	194 Å²	194	145.8 Å²	145.8	91%	0.907	81%	0.807	S	S	*	*			trans	-61.3	106.1	171.4	-69.4	176.2	-3.8	0	0	109.1	V206	V206-Q208 PolarHBondContact O-N 2.9Å; V206-Q208 VanDerWaalsContact O-N 3.12Å
209	L	51.2	Low	50	Low	156 Å²	156	146.4 Å²	146.4	82%	0.817	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-77.7	139	165.4	-76	166.1	0	0	0	108.6	R207 S211	R207-L209 PolarHBondContact O-N 3.09Å; R207-L209 VanDerWaalsContact O-N 3.09Å; L209-S211 PolarHBondContact O-N 2.65Å
210	P	51.2	Low	49.9	Very low	121 Å²	121	146 Å²	146	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.2	129.6	-175.3	25.1	-32	0	0	0	110.3
211	S	46.8	Very low	49.4	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-55.1	145.2	175.8	34.5	0	0	0	0	111.7	L209 V213	L209-S211 PolarHBondContact O-N 2.65Å; S211-V213 PolarHBondContact O-N 3.02Å
212	P	52.1	Low	48.8	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.8	125.1	-177.7	-15.4	27.9	0	0	0	110.5	M214	P212-M214 PolarHBondContact O-N 2.96Å
213	V	57.7	Low	48.1	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.1	117.5	172.9	174.6	0	0	0	0	108.7	S211 V215	S211-V213 PolarHBondContact O-N 3.02Å; V213-V215 PolarHBondContact O-N 3.08Å; V213-V215 VanDerWaalsContact O-N 3.12Å
214	M	44	Very low	47.2	Very low	181 Å²	181	142.2 Å²	142.2	89%	0.892	78%	0.779	S	S	*	*			trans	-69	102.8	171.7	-71.1	-75.8	-73.8	0	0	108.8	P212 A216	P212-M214 PolarHBondContact O-N 2.96Å; M214-A216 PolarHBondContact O-N 3.45Å
215	V	46.6	Very low	46	Very low	131 Å²	131	144.3 Å²	144.3	79%	0.794	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.1	122.2	170.6	-169.6	0	0	0	0	107.9	V213	V213-V215 PolarHBondContact O-N 3.08Å; V213-V215 VanDerWaalsContact O-N 3.12Å
216	A	51.7	Low	45.2	Very low	77 Å²	77	142.6 Å²	142.6	64%	0.636	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-54.9	141.1	176.6	0	0	0	0	0	110.5	M214 V218	M214-A216 PolarHBondContact O-N 3.45Å; A216-V218 PolarHBondContact O-N 3.46Å
217	P	44.7	Very low	44.4	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.1	126.3	175.2	24.4	-30.1	0	0	0	108.7	R219	P217-R219 PolarHBondContact O-N 3.05Å; P217-R219 VanDerWaalsContact O-N 3.09Å
218	V	41.6	Very low	44.1	Very low	133 Å²	133	134 Å²	134	81%	0.806	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-51.5	118.9	167.9	173	0	0	0	0	107.2	A216 Q220	A216-V218 PolarHBondContact O-N 3.46Å; V218-Q220 PolarHBondContact O-N 3.1Å
219	R	43.4	Very low	44.1	Very low	232 Å²	232	131.1 Å²	131.1	88%	0.875	77%	0.767	S	S	*	*			trans	-52.7	107.4	171.6	-82.2	-179.3	169.9	177.8	-3	107.7	P217 V221	P217-R219 PolarHBondContact O-N 3.05Å; P217-R219 VanDerWaalsContact O-N 3.09Å; R219-V221 PolarHBondContact O-N 3.27Å; R219-V221 VanDerWaalsContact O-N 3.09Å
220	Q	39	Very low	43.7	Very low	183 Å²	183	128.9 Å²	128.9	86%	0.855	76%	0.764	S	S	*	*			trans	-65.6	109.7	163.6	-72.2	-176.4	-19.7	0	0	106.1	V218 P222	V218-Q220 PolarHBondContact O-N 3.1Å; Q220-P222 WeakPolarHBondContact O-CD 3.49Å
221	V	40	Very low	43.3	Very low	109 Å²	109	128.7 Å²	128.7	66%	0.661	76%	0.763	S	S	*	*			trans	-57.4	121.4	168.5	-173.6	0	0	0	0	106.1	R219 V223 Y224	R219-V221 PolarHBondContact O-N 3.27Å; R219-V221 VanDerWaalsContact O-N 3.09Å; V221-V223 PolarHBondContact O-N 2.93Å; V221-V223 VanDerWaalsContact O-N 3.1Å; V221-Y224 HydrophobicContact CG1-CE2 4.45Å
222	P	38.3	Very low	42.8	Very low	74 Å²	74	131.6 Å²	131.6	48%	0.481	77%	0.769	S	S	.	*			trans	-61.2	118	169.8	-7.8	21.4	0	0	0	106	Q220 Y224	Q220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-Y224 HydrophobicContact CB-CD1 4.06Å; P222-Y224 HydrophobicContact CB-CE1 3.67Å; P222-Y224 WeakPolarHBondContact CD-OH 3.25Å; P222-Y224 HydrophobicContact CG-CE1 3.73Å; P222-Y224 WeakPolarHBondContact O-CD2 3.37Å; P222-Y224 WeakPolarHBondContact O-CE2 3.21Å; P222-Y224 PolarHBondContact O-N 3.07Å
223	V	40.1	Very low	42.3	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	77%	0.769	S	S	*	*			trans	-71.5	92.7	163.3	178.9	0	0	0	0	105	V221 N225	V221-V223 PolarHBondContact O-N 2.93Å; V221-V223 VanDerWaalsContact O-N 3.1Å; V223-N225 PolarHBondContact O-N 3.24Å
224	Y	43.1	Very low	41.1	Very low	171 Å²	171	133.2 Å²	133.2	67%	0.671	77%	0.766	S	S	*	*			trans	-58.1	125.8	169.2	-38.4	-83.5	0	0	0	107.6	V221 P222 A226	V221-Y224 HydrophobicContact CG1-CE2 4.45Å; P222-Y224 HydrophobicContact CB-CD1 4.06Å; P222-Y224 HydrophobicContact CB-CE1 3.67Å; P222-Y224 WeakPolarHBondContact CD-OH 3.25Å; P222-Y224 HydrophobicContact CG-CE1 3.73Å; P222-Y224 WeakPolarHBondContact O-CD2 3.37Å; P222-Y224 WeakPolarHBondContact O-CE2 3.21Å; P222-Y224 PolarHBondContact O-N 3.07Å; Y224-A226 PolarHBondContact O-N 3.09Å
225	N	32.4	Very low	40.9	Very low	160 Å²	160	133.7 Å²	133.7	86%	0.856	76%	0.763	S	S	*	*			trans	-1.5	88.3	156.2	-64.3	-17.9	0	0	0	114.6	V223 A227	V223-N225 PolarHBondContact O-N 3.24Å; N225-A227 PolarHBondContact O-N 3.41Å; N225-A227 VanDerWaalsContact O-N 3.09Å
226	A	36.8	Very low	40.4	Very low	87 Å²	87	134.4 Å²	134.4	72%	0.719	76%	0.758	S	S	*	*			trans	-77.7	88.6	154.6	0	0	0	0	0	106.3	Y224 S228	Y224-A226 PolarHBondContact O-N 3.09Å; A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 3.31Å
227	A	35.5	Very low	39.7	Very low	97 Å²	97	142 Å²	142	80%	0.802	77%	0.77	S	S	*	*			trans	-56.9	97.2	163	0	0	0	0	0	108.1	N225	N225-A227 PolarHBondContact O-N 3.41Å; N225-A227 VanDerWaalsContact O-N 3.09Å
228	S	43.8	Very low	39.6	Very low	93 Å²	93	145.8 Å²	145.8	65%	0.65	77%	0.77	S	S	*	*			trans	-149.2	114.5	165	-71.7	0	0	0	0	106.5	A226 S230	A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 3.31Å; S228-S230 PolarHBondContact O-N 2.94Å
229	P	45.7	Very low	39.7	Very low	133 Å²	133	145.4 Å²	145.4	86%	0.864	76%	0.764	S	S	*	*			trans	-67.6	106.2	-178.3	27.4	-30	0	0	0	107.7
230	S	42.6	Very low	40.1	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	75%	0.747	S	S	*	*			trans	-63.8	136.4	160.8	-60.2	0	0	0	0	107	S228 L232	S228-S230 PolarHBondContact O-N 2.94Å; S230-L232 PolarHBondContact O-N 2.86Å
231	P	42.7	Very low	40.8	Very low	118 Å²	118	136.3 Å²	136.3	77%	0.766	74%	0.741	S	S	*	*			trans	-58.4	131.1	-171.5	24.9	-33.6	0	0	0	109.4	L233	P231-L233 PolarHBondContact O-N 2.89Å
232	L	37.5	Very low	41.5	Very low	163 Å²	163	135.7 Å²	135.7	85%	0.853	73%	0.734	S	S	*	*			trans	-49.5	109.3	168.4	-73.5	165.4	0	0	0	107.5	S230 N234	S230-L232 PolarHBondContact O-N 2.86Å; L232-N234 PolarHBondContact O-N 2.84Å
233	L	40.2	Very low	42.5	Very low	150 Å²	150	137.6 Å²	137.6	79%	0.785	74%	0.74	S	S	*	*			trans	-62.6	98.3	159.3	-83.7	163.5	0	0	0	105.3	P231 F235	P231-L233 PolarHBondContact O-N 2.89Å; L233-F235 PolarHBondContact O-N 3.05Å
234	N	34.3	Very low	43.4	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	74%	0.741	S	S	*	*			trans	-56.2	97.5	161.5	-99.5	-0.4	0	0	0	106.1	L232 E236	L232-N234 PolarHBondContact O-N 2.84Å; N234-E236 PolarHBondContact O-N 3.12Å
235	F	39.6	Very low	44.2	Very low	190 Å²	190	137.9 Å²	137.9	83%	0.833	74%	0.742	S	S	*	*			trans	-66.1	81.4	151.6	-75.3	-87.2	0	0	0	105.4	L233 R237	L233-F235 PolarHBondContact O-N 3.05Å; F235-R237 VanDerWaalsContact C-N 3.3Å; F235-R237 PolarHBondContact O-N 2.76Å
236	E	36.3	Very low	45.6	Very low	146 Å²	146	133.1 Å²	133.1	68%	0.682	72%	0.719	S	S	*	*			trans	-53	111.1	153.4	-84.6	-176.3	158.3	0	0	104.8	N234 Y238	N234-E236 PolarHBondContact O-N 3.12Å; E236-Y238 PolarHBondContact O-N 2.84Å
237	R	35.7	Very low	46.9	Very low	237 Å²	237	133.2 Å²	133.2	89%	0.894	71%	0.711	S	S	*	*			trans	-54	102.7	161.4	-72.8	179.1	175.8	177.4	-1.6	104	F235 N239	F235-R237 VanDerWaalsContact C-N 3.3Å; F235-R237 PolarHBondContact O-N 2.76Å; R237-N239 PolarHBondContact O-N 2.98Å
238	Y	42.3	Very low	48.4	Very low	203 Å²	203	131.9 Å²	131.9	80%	0.796	69%	0.685	S	S	*	*			trans	-59.5	98.1	161	-90	-93.7	0	0	0	104.5	E236 V240	E236-Y238 PolarHBondContact O-N 2.84Å; Y238-V240 VanDerWaalsContact C-N 3.29Å; Y238-V240 PolarHBondContact O-N 2.93Å
239	N	43.6	Very low	49.7	Very low	125 Å²	125	129.8 Å²	129.8	67%	0.668	67%	0.666	S	S	*	*			trans	-63.5	104.8	162.6	-129.7	-3.1	0	0	0	103.5	R237 D241	R237-N239 PolarHBondContact O-N 2.98Å; N239-D241 PolarHBondContact O-N 3.29Å
240	V	52.6	Low	51	Low	87 Å²	87	129 Å²	129	53%	0.527	65%	0.649	S	S	.	*			trans	-75.1	82.8	170.7	-175.7	0	0	0	0	104.1	Y238 D242	Y238-V240 VanDerWaalsContact C-N 3.29Å; Y238-V240 PolarHBondContact O-N 2.93Å; V240-D242 PolarHBondContact O-N 2.88Å; V240-D242 VanDerWaalsContact O-N 3.14Å
241	D	54.5	Low	52.5	Low	136 Å²	136	129.7 Å²	129.7	73%	0.727	64%	0.644	S	S	*	*			trans	-63.9	-13.4	-179.4	-71.2	-32.8	0	0	0	111.5	N239	N239-D241 PolarHBondContact O-N 3.29Å
242	D	54.2	Low	54.1	Low	97 Å²	97	126.2 Å²	126.2	52%	0.519	62%	0.619	S	S	.	*			trans	-102.3	72.5	171.3	-85.5	-19	0	0	0	112.1	V240 E244 N245	V240-D242 PolarHBondContact O-N 2.88Å; V240-D242 VanDerWaalsContact O-N 3.14Å; D242-E244 PolarHBondContact O-N 2.8Å; D242-N245 PolarHBondContact O-N 2.97Å
243	L	58.5	Low	55.9	Low	114 Å²	114	124.5 Å²	124.5	60%	0.597	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-63.8	-16.3	165.2	-89	116.9	0	0	0	112.7	N245 V246	L243-N245 PolarHBondContact O-N 2.94Å; L243-V246 PolarHBondContact O-N 2.69Å
244	E	59.9	Low	57.8	Low	184 Å²	184	124.8 Å²	124.8	86%	0.86	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-65	-20.3	175.3	-62.7	-169.3	171.6	0	0	113.1	D242	D242-E244 PolarHBondContact O-N 2.8Å
245	N	60.4	Low	59.9	Low	128 Å²	128	125.4 Å²	125.4	68%	0.684	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-98.8	11.9	179.2	-72.5	-43	0	0	0	113.6	D242 L243	D242-N245 PolarHBondContact O-N 2.97Å; L243-N245 PolarHBondContact O-N 2.94Å
246	V	61.4	Low	61.7	Low	60 Å²	60	117.5 Å²	117.5	36%	0.364	59%	0.588	S	S	.	*			trans	-96.2	119.2	-178.6	-178.1	0	0	0	0	110.3	L243 Y248	L243-V246 PolarHBondContact O-N 2.69Å; V246-Y248 HydrophobicContact CG1-CD1 4.3Å; V246-Y248 HydrophobicContact CG1-CE1 4.02Å
247	T	63.7	Low	63.5	Low	90 Å²	90	115.2 Å²	115.2	55%	0.552	59%	0.585	S	S	*	*			trans	-94.2	115.9	168.4	-55.1	0	0	0	0	108.8	I259	T247-I259 HydrophobicContact CG2-CB 4.3Å; T247-I259 HydrophobicContact CG2-CD1 4.04Å; T247-I259 HydrophobicContact CG2-CG1 3.8Å; T247-I259 HydrophobicContact CG2-CG2 3.67Å
248	Y	67.5	Low	65.5	Low	69 Å²	69	107.7 Å²	107.7	27%	0.271	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	142.1	172.6	-49	-82.7	0	0	0	109.6	V246 I259 D260	V246-Y248 HydrophobicContact CG1-CD1 4.3Å; V246-Y248 HydrophobicContact CG1-CE1 4.02Å; Y248-I259 CarbonylContact O-C 3.39Å; Y248-I259 VanDerWaalsContact O-CA 3.28Å; Y248-I259 WeakPolarHBondContact O-CA 3.06Å; Y248-D260 WeakPolarHBondContact CB-O 3.06Å; Y248-D260 PolarHBondContact O-N 3.34Å
249	I	69.9	Low	67.2	Low	48 Å²	48	104.1 Å²	104.1	25%	0.246	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.4	125.4	178.6	-54.8	174.8	0	0	0	108.3	P257 M258 I265	I249-P257 HydrophobicContact CG2-CB 3.67Å; I249-M258 CarbonylContact C-O 3.46Å; I249-M258 VanDerWaalsContact CA-O 3.28Å; I249-M258 WeakPolarHBondContact CA-O 3.15Å; I249-I265 WeakPolarHBondContact O-CB 3.45Å; I249-I265 VanDerWaalsContact O-CD1 3.3Å; I249-I265 WeakPolarHBondContact O-CD1 3.44Å; I249-I265 WeakPolarHBondContact O-CG2 3.48Å
250	K	74	Confident	68.6	Low	117 Å²	117	99.9 Å²	99.9	51%	0.509	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.5	172	179.7	173	179.4	175.6	0	110	M258 D260 I265	K250-M258 PolarHBondContact N-O 3.19Å; K250-M258 PolarHBondContact O-N 3.1Å; K250-D260 HydrophobicContact CB-CB 3.88Å; K250-D260 WeakPolarHBondContact CD-OD2 3.44Å; K250-I265 HydrophobicContact CB-CD1 4.29Å; K250-I265 HydrophobicContact CG-CD1 4.45Å
251	L	73.6	Confident	69.5	Low	123 Å²	123	104.9 Å²	104.9	64%	0.644	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	115	172.4	-118.1	87.3	0	0	0	109.6	P257	L251-P257 HydrophobicContact CD1-CB 4.44Å; L251-P257 HydrophobicContact CD1-CG 4.37Å
252	D	75.6	Confident	70	Confident	45 Å²	45	107 Å²	107	24%	0.241	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	125.2	165.9	-177.4	-52.4	0	0	0	108.6	N254 K255 G256 M258	D252-N254 PolarHBondContact O-N 3.09Å; D252-N254 VanDerWaalsContact O-N 3.15Å; D252-N254 WeakPolarHBondContact OD1-CA 3.48Å; D252-N254 WeakPolarHBondContact OD1-CB 3.34Å; D252-N254 PolarHBondContact OD1-N 3.14Å; D252-K255 HydrophobicContact CB-CB 3.93Å; D252-K255 PolarHBondContact O-N 2.94Å; D252-K255 PolarHBondContact OD1-N 3.49Å; D252-G256 PolarHBondContact N-O 2.89Å; D252-G256 WeakPolarHBondContact O-CA 3.5Å; D252-G256 PolarHBondContact O-N 3.37Å; D252-M258 HydrophobicContact CB-CG 4.33Å; D252-M258 HydrophobicContact CB-SD 3.99Å
253	P	76.6	Confident	70.3	Confident	126 Å²	126	103.5 Å²	103.5	82%	0.818	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.3	-179.2	-24.6	33.1	0	0	0	114.7
254	N	78.9	Confident	69.8	Low	156 Å²	156	102.9 Å²	102.9	83%	0.834	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-32	-175.9	-61.7	-36.5	0	0	0	112.6	D252	D252-N254 PolarHBondContact O-N 3.09Å; D252-N254 VanDerWaalsContact O-N 3.15Å; D252-N254 WeakPolarHBondContact OD1-CA 3.48Å; D252-N254 WeakPolarHBondContact OD1-CB 3.34Å; D252-N254 PolarHBondContact OD1-N 3.14Å
255	K	79.6	Confident	69.6	Low	153 Å²	153	97.8 Å²	97.8	67%	0.665	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-10.8	-175.4	-59.8	175.8	-179.2	173.3	0	114.1	D252 M258	D252-K255 HydrophobicContact CB-CB 3.93Å; D252-K255 PolarHBondContact O-N 2.94Å; D252-K255 PolarHBondContact OD1-N 3.49Å; K255-M258 HydrophobicContact CB-CG 4.23Å; K255-M258 HydrophobicContact CB-SD 3.71Å; K255-M258 HydrophobicContact CD-CE 4.31Å; K255-M258 HydrophobicContact CD-SD 3.5Å; K255-M258 WeakPolarHBondContact CD-SD 2.98Å; K255-M258 HydrophobicContact CG-SD 4.26Å
256	G	76.2	Confident	69.1	Low	24 Å²	24	100.5 Å²	100.5	25%	0.247	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-158.6	-175.5	0	0	0	0	0	113	D252 M258	D252-G256 PolarHBondContact N-O 2.89Å; D252-G256 WeakPolarHBondContact O-CA 3.5Å; D252-G256 PolarHBondContact O-N 3.37Å; G256-M258 PolarHBondContact O-N 3.09Å
257	P	75.7	Confident	69	Low	97 Å²	97	102.6 Å²	102.6	63%	0.63	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	120.7	178.2	-12.5	26.8	0	0	0	110.4	I249 L251	I249-P257 HydrophobicContact CG2-CB 3.67Å; L251-P257 HydrophobicContact CD1-CB 4.44Å; L251-P257 HydrophobicContact CD1-CG 4.37Å
258	M	77.7	Confident	68.6	Low	80 Å²	80	106.8 Å²	106.8	39%	0.394	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.9	176.8	-66.2	-171.2	60.7	0	0	110.1	I249 K250 D252 K255 G256 D260	I249-M258 CarbonylContact C-O 3.46Å; I249-M258 VanDerWaalsContact CA-O 3.28Å; I249-M258 WeakPolarHBondContact CA-O 3.15Å; K250-M258 PolarHBondContact N-O 3.19Å; K250-M258 PolarHBondContact O-N 3.1Å; D252-M258 HydrophobicContact CB-CG 4.33Å; D252-M258 HydrophobicContact CB-SD 3.99Å; K255-M258 HydrophobicContact CB-CG 4.23Å; K255-M258 HydrophobicContact CB-SD 3.71Å; K255-M258 HydrophobicContact CD-CE 4.31Å; K255-M258 HydrophobicContact CD-SD 3.5Å; K255-M258 WeakPolarHBondContact CD-SD 2.98Å; K255-M258 HydrophobicContact CG-SD 4.26Å; G256-M258 PolarHBondContact O-N 3.09Å; M258-D260 PolarHBondContact O-N 3.2Å
259	I	76.7	Confident	68	Low	128 Å²	128	111.3 Å²	111.3	66%	0.656	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.8	124.2	173.4	-61.7	172.7	0	0	0	108.2	T247 Y248	T247-I259 HydrophobicContact CG2-CB 4.3Å; T247-I259 HydrophobicContact CG2-CD1 4.04Å; T247-I259 HydrophobicContact CG2-CG1 3.8Å; T247-I259 HydrophobicContact CG2-CG2 3.67Å; Y248-I259 CarbonylContact O-C 3.39Å; Y248-I259 VanDerWaalsContact O-CA 3.28Å; Y248-I259 WeakPolarHBondContact O-CA 3.06Å
260	D	73	Confident	67.4	Low	35 Å²	35	114.3 Å²	114.3	19%	0.187	59%	0.586	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	153.4	174.3	-157.6	-15.9	0	0	0	109.4	Y248 K250 M258 E262	Y248-D260 WeakPolarHBondContact CB-O 3.06Å; Y248-D260 PolarHBondContact O-N 3.34Å; K250-D260 HydrophobicContact CB-CB 3.88Å; K250-D260 WeakPolarHBondContact CD-OD2 3.44Å; M258-D260 PolarHBondContact O-N 3.2Å; D260-E262 PolarHBondContact OD1-N 3.15Å
261	K	71.4	Confident	66.2	Low	192 Å²	192	120.3 Å²	120.3	84%	0.835	61%	0.606	S	S	*	*	S	Bend	trans	-107.4	-9.7	175	-64.5	-174.1	-178.9	-177.6	0	112.3
262	E	65.9	Low	64.9	Low	181 Å²	181	120.5 Å²	120.5	85%	0.846	60%	0.603	S	S	*	*	S	Bend	trans	-124.3	15.3	-164.2	-69	176.3	173.7	0	0	115.7	D260	D260-E262 PolarHBondContact OD1-N 3.15Å
263	G	60.5	Low	63.8	Low	23 Å²	23	127.5 Å²	127.5	24%	0.237	63%	0.632	C	S	.	*			trans	76.5	-171.7	165.5	0	0	0	0	0	116.9
264	P	48	Very low	62.3	Low	101 Å²	101	126.8 Å²	126.8	66%	0.656	62%	0.621	S	S	*	*			cis	-106.6	73.6	-33.6	36.9	-21.1	0	0	0	109.4	Y266	P264-Y266 HydrophobicContact CB-CE2 4.38Å
265	I	55.4	Low	60.7	Low	77 Å²	77	125.8 Å²	125.8	40%	0.395	62%	0.616	S	S	.	*			trans	-97	109.8	170.2	-64.1	166.9	0	0	0	108	I249 K250	I249-I265 WeakPolarHBondContact O-CB 3.45Å; I249-I265 VanDerWaalsContact O-CD1 3.3Å; I249-I265 WeakPolarHBondContact O-CD1 3.44Å; I249-I265 WeakPolarHBondContact O-CG2 3.48Å; K250-I265 HydrophobicContact CB-CD1 4.29Å; K250-I265 HydrophobicContact CG-CD1 4.45Å
266	Y	50.4	Low	59.2	Low	186 Å²	186	127.4 Å²	127.4	73%	0.729	63%	0.625	S	S	*	*			trans	-81.6	116.9	173.4	-60.5	-86.1	0	0	0	109.3	P264 F268	P264-Y266 HydrophobicContact CB-CE2 4.38Å; Y266-F268 HydrophobicContact CG-CE1 4.43Å
267	M	57.8	Low	57.9	Low	103 Å²	103	131.3 Å²	131.3	51%	0.507	65%	0.648	S	S	.	*			trans	-131.9	101.6	162.1	-155.8	180	-53.8	0	0	107.8	F269	M267-F269 HydrophobicContact CB-CE2 4.43Å; M267-F269 HydrophobicContact CG-CE2 3.95Å; M267-F269 HydrophobicContact CG-CZ 4.07Å; M267-F269 HydrophobicContact SD-CE2 3.88Å; M267-F269 HydrophobicContact SD-CZ 3.6Å
268	F	55.4	Low	56.4	Low	178 Å²	178	134.1 Å²	134.1	78%	0.781	65%	0.653	S	S	*	*			trans	-88.8	128.8	176.7	7.6	-96.4	0	0	0	109.3	Y266	Y266-F268 HydrophobicContact CG-CE1 4.43Å
269	F	55.5	Low	54.7	Low	164 Å²	164	136.2 Å²	136.2	72%	0.719	67%	0.673	S	S	*	*			trans	-110.3	113.5	165.1	-63.4	-87.2	0	0	0	107.6	M267	M267-F269 HydrophobicContact CB-CE2 4.43Å; M267-F269 HydrophobicContact CG-CE2 3.95Å; M267-F269 HydrophobicContact CG-CZ 4.07Å; M267-F269 HydrophobicContact SD-CE2 3.88Å; M267-F269 HydrophobicContact SD-CZ 3.6Å
270	S	58	Low	52.9	Low	112 Å²	112	135.5 Å²	135.5	78%	0.783	67%	0.671	S	S	*	*			trans	-92.3	120.6	165	69.8	0	0	0	0	108.7
271	R	48.9	Very low	51.5	Low	242 Å²	242	141.9 Å²	141.9	91%	0.913	70%	0.704	S	S	*	*			trans	-86	106.6	161.4	-77.6	-176.4	-175.3	-116.7	2.5	106.6	K273	R271-K273 PolarHBondContact O-N 3.09Å
272	Q	46.5	Very low	50.1	Low	128 Å²	128	143 Å²	143	60%	0.598	70%	0.704	S	S	*	*			trans	-60.7	113.7	165.6	-78.3	-172.3	-22.2	0	0	107.9	N274 N283	Q272-N274 PolarHBondContact O-N 3.39Å; Q272-N274 VanDerWaalsContact O-N 3.11Å; Q272-N283 PolarHBondContact OE1-ND2 2.92Å
273	K	52.5	Low	48.8	Very low	191 Å²	191	138.6 Å²	138.6	83%	0.83	69%	0.686	S	S	*	*			trans	-64.5	107.9	158.6	-77.1	-177.9	177.5	176.7	0	105.3	R271 N275	R271-K273 PolarHBondContact O-N 3.09Å; K273-N275 PolarHBondContact O-N 3.37Å
274	N	45	Very low	47.6	Very low	112 Å²	112	145 Å²	145	60%	0.599	72%	0.715	S	S	*	*			trans	-62.9	93.2	169.7	-88.2	-9.5	0	0	0	107.6	Q272 H276	Q272-N274 PolarHBondContact O-N 3.39Å; Q272-N274 VanDerWaalsContact O-N 3.11Å; N274-H276 PolarHBondContact O-N 3.12Å
275	N	45.9	Very low	47.1	Very low	134 Å²	134	147.6 Å²	147.6	72%	0.717	71%	0.713	S	S	*	*			trans	-68.1	113.4	161.2	-75.6	-13.5	0	0	0	106.2	K273 S277	K273-N275 PolarHBondContact O-N 3.37Å; N275-S277 PolarHBondContact O-N 3.23Å
276	H	48.2	Very low	46.3	Very low	188 Å²	188	149.8 Å²	149.8	87%	0.87	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	74.4	177.6	-74.4	-75.7	0	0	0	110.8	N274	N274-H276 PolarHBondContact O-N 3.12Å
277	S	47.4	Very low	45.5	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-162.2	2.8	171.7	50.4	0	0	0	0	117.6	N275	N275-S277 PolarHBondContact O-N 3.23Å
278	E	45.7	Very low	44.6	Very low	156 Å²	156	149.9 Å²	149.9	73%	0.729	74%	0.74	S	S	*	*			trans	-131.3	136.8	173.5	-77.9	-157.4	154.8	0	0	114.4	N280	E278-N280 PolarHBondContact O-N 3.33Å
279	P	40.5	Very low	43.7	Very low	125 Å²	125	146.9 Å²	146.9	81%	0.812	73%	0.732	S	S	*	*			trans	-79.6	82.7	177.1	33	-31.3	0	0	0	110	L281	P279-L281 PolarHBondContact O-N 3.23Å
280	N	39.8	Very low	42.8	Very low	113 Å²	113	143.9 Å²	143.9	60%	0.604	73%	0.731	S	S	*	*			trans	-82.7	108.8	179.2	-122.1	-37.4	0	0	0	111.3	E278 Y282	E278-N280 PolarHBondContact O-N 3.33Å; N280-Y282 PolarHBondContact O-N 3.09Å
281	L	42.5	Very low	41.9	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	12	-175.6	-100.4	125.3	0	0	0	116	P279	P279-L281 PolarHBondContact O-N 3.23Å
282	Y	43.2	Very low	41.5	Very low	214 Å²	214	139 Å²	139	84%	0.839	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.5	-0.2	-171.2	-99.3	-92.1	0	0	0	116.9	N280	N280-Y282 PolarHBondContact O-N 3.09Å
283	N	37.2	Very low	41.1	Very low	89 Å²	89	143.3 Å²	143.3	48%	0.476	74%	0.737	S	S	.	*			trans	-101.5	84.7	179.1	-85.7	-6.9	0	0	0	112.3	Q272	Q272-N283 PolarHBondContact OE1-ND2 2.92Å
284	N	35.3	Very low	40.5	Very low	157 Å²	157	140.6 Å²	140.6	84%	0.84	73%	0.731	S	S	*	*			trans	-120.9	25.6	167.7	-92.3	-32.2	0	0	0	113.1
285	Y	38.2	Very low	39.9	Very low	156 Å²	156	146.1 Å²	146.1	61%	0.612	74%	0.744	S	S	*	*	S	Bend	trans	-119.1	121.8	168.7	-78.5	-84.5	0	0	0	109.5
286	V	38.4	Very low	39.5	Very low	124 Å²	124	151.9 Å²	151.9	75%	0.752	76%	0.755	S	S	*	*	S	Bend	trans	77.4	89.4	165.3	-162	0	0	0	0	115.9
287	N	33.1	Very low	39.2	Very low	131 Å²	131	148.9 Å²	148.9	70%	0.701	75%	0.75	S	S	*	*				168.8	101	127.4	-88.6	-37.3	0	0	0	110.2
288	H	39	Very low	38.9	Very low	160 Å²	160	153.3 Å²	153.3	74%	0.741	76%	0.756	S	S	*	*			trans	-139.1	99.2	151.5	-87.5	-71.9	0	0	0	104.8	R121	R121-H288 PolarHBondContact NH2-O 3.12Å
289	D	37.8	Very low	38.5	Very low	114 Å²	114	153.6 Å²	153.6	61%	0.61	76%	0.763	S	S	*	*				164.5	79.6	127.8	-70.1	-27.9	0	0	0	108
290	S	35.9	Very low	38.8	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	76%	0.76	S	S	*	*			trans	-97	124.8	156.9	-49.8	0	0	0	0	106.4	T292	S290-T292 PolarHBondContact O-N 3.2Å
291	P	38.4	Very low	38.8	Very low	110 Å²	110	155 Å²	155	71%	0.714	77%	0.772	S	S	*	*			trans	-73.7	113	177.5	28.4	-29.3	0	0	0	108.6	W293	P291-W293 PolarHBondContact O-N 3.48Å; P291-W293 VanDerWaalsContact O-N 3.14Å
292	T	41.3	Very low	39	Very low	142 Å²	142	152.9 Å²	152.9	87%	0.871	77%	0.766	S	S	*	*			trans	-69.6	105.3	168.7	48.8	0	0	0	0	108.9	S290	S290-T292 PolarHBondContact O-N 3.2Å
293	W	38.5	Very low	38.8	Very low	218 Å²	218	149.9 Å²	149.9	83%	0.826	76%	0.761	S	S	*	*			trans	-87.4	146.1	160.4	-85.2	63.9	0	0	0	109.8	P291	P291-W293 PolarHBondContact O-N 3.48Å; P291-W293 VanDerWaalsContact O-N 3.14Å
294	D	38.2	Very low	39	Very low	135 Å²	135	155.5 Å²	155.5	72%	0.722	78%	0.777	S	S	*	*			trans	75.3	101	159.5	-66.1	-27.3	0	0	0	121.2
295	R	34.4	Very low	39.6	Very low	227 Å²	227	153.1 Å²	153.1	86%	0.857	77%	0.773	S	S	*	*				141.7	94.5	108.5	-100.1	-178.7	-175.7	-175.9	2	110.9
296	R	36.4	Very low	40.4	Very low	256 Å²	256	155.2 Å²	155.2	97%	0.966	81%	0.806	S	S	*	*			trans	-108.2	92.2	149.9	-84.7	-173	179	-175.1	0.5	107.8
297	T	41.6	Very low	40.5	Very low	124 Å²	124	156.8 Å²	156.8	76%	0.761	81%	0.809	S	S	*	*			trans	-86.7	111.1	155.6	35.6	0	0	0	0	107.6
298	K	41.6	Very low	40.9	Very low	198 Å²	198	158.2 Å²	158.2	86%	0.861	81%	0.814	S	S	*	*			trans	-58.9	132.6	168.8	-99.1	173.5	168.3	177.2	0	109.4
299	N	38.1	Very low	41	Very low	163 Å²	163	158.1 Å²	158.1	87%	0.872	82%	0.818	S	S	*	*			trans	-58.6	134	158.8	-87.5	-11.9	0	0	0	110.6
300	S	46.5	Very low	41.2	Very low	108 Å²	108	160.6 Å²	160.6	76%	0.755	83%	0.831	S	S	*	*			trans	-147.2	103.8	151.8	56.2	0	0	0	0	109.3
301	N	39.2	Very low	41.5	Very low	158 Å²	158	164.4 Å²	164.4	85%	0.845	84%	0.838	S	S	*	*			trans	6.2	124.8	150.6	-60.2	-21.4	0	0	0	118.1
302	V	46	Very low	41.7	Very low	126 Å²	126	168 Å²	168	76%	0.764	85%	0.847	S	S	*	*			trans	-154.8	116.7	140.7	-176.6	0	0	0	0	110.1
303	M	40.2	Very low	41.7	Very low	150 Å²	150	169.9 Å²	169.9	74%	0.739	85%	0.845	S	S	*	*			trans	62.4	151	151	-63.4	177.7	160.2	0	0	120.2
304	Y	40.6	Very low	42	Very low	208 Å²	208	166.2 Å²	166.2	82%	0.816	85%	0.846	S	S	*	*			cis	-150.6	146.8	23.2	-110.2	-85.9	0	0	0	108.7
305	S	49.1	Very low	42.3	Very low	107 Å²	107	168.8 Å²	168.8	75%	0.748	86%	0.857	S	S	*	*			trans	-87.6	164.7	155.4	-84.4	0	0	0	0	109.1
306	P	54.1	Low	43	Very low	200 Å²	200	163.5 Å²	163.5	100%	1.299	86%	0.857	S	S	*	*			cis	-93.6	0	12.8	-1	22.6	0	0	0	115.8

Retrieved 306 of 306 residues in 97.3 ms (Link to these results)

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