A0A3Q0KMR5_SCHMA Loading...

ER6-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KMR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 166 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	41.4	Very low	56.2	Low	234 Å²	234	140.4 Å²	140.4	100%	1.153	76%	0.764	S	S	*	*				0	117.2	0	-70.4	-158.5	137.5	0	0	107.9	G3	M1-G3 PolarHBondContact O-N 3.42Å
2	P	46.1	Very low	59.5	Low	132 Å²	132	133.9 Å²	133.9	86%	0.857	73%	0.727	S	S	*	*			trans	-67	117.7	167.9	-8.5	24.8	0	0	0	106.9	L4	P2-L4 PolarHBondContact O-N 3.25Å
3	G	52.4	Low	62.4	Low	61 Å²	61	133.1 Å²	133.1	63%	0.629	72%	0.719	S	S	*	*			trans	-57.1	134.4	175.5	0	0	0	0	0	109.2	M1 I5	M1-G3 PolarHBondContact O-N 3.42Å; G3-I5 PolarHBondContact O-N 2.87Å
4	L	49	Very low	64.9	Low	170 Å²	170	126.8 Å²	126.8	89%	0.89	68%	0.68	S	S	*	*			trans	-61.9	94.7	167.1	-144.8	88.7	0	0	0	105.9	P2 S6	P2-L4 PolarHBondContact O-N 3.25Å; L4-S6 PolarHBondContact O-N 2.83Å
5	I	49	Very low	67.1	Low	149 Å²	149	121.7 Å²	121.7	76%	0.764	65%	0.649	S	S	*	*			trans	-68.9	91.4	165.9	-57.8	166.3	0	0	0	103.3	G3 T7	G3-I5 PolarHBondContact O-N 2.87Å; I5-T7 HydrophobicContact CG2-CG2 4.37Å; I5-T7 PolarHBondContact O-N 2.88Å
6	S	50.5	Low	69.1	Low	96 Å²	96	114.1 Å²	114.1	67%	0.671	61%	0.609	S	S	*	*			trans	-59.1	99.7	160.2	52.4	0	0	0	0	104.8	L4 E8	L4-S6 PolarHBondContact O-N 2.83Å; S6-E8 PolarHBondContact O-N 2.92Å
7	T	50.5	Low	70.8	Confident	87 Å²	87	107.4 Å²	107.4	53%	0.534	57%	0.573	S	S	.	*			trans	-58.4	117.6	176.5	48.6	0	0	0	0	106.4	I5 E9 N10	I5-T7 HydrophobicContact CG2-CG2 4.37Å; I5-T7 PolarHBondContact O-N 2.88Å; T7-E9 PolarHBondContact O-N 3.04Å; T7-N10 PolarHBondContact O-N 3.5Å
8	E	55.2	Low	72.3	Confident	174 Å²	174	101.4 Å²	101.4	81%	0.813	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-57.5	-13.8	-179.4	-65	-147.3	149.7	0	0	112.6	S6 N10 K11	S6-E8 PolarHBondContact O-N 2.92Å; E8-N10 PolarHBondContact O-N 3.39Å; E8-K11 PolarHBondContact O-N 2.73Å
9	E	60.4	Low	73.5	Confident	178 Å²	178	97.2 Å²	97.2	83%	0.832	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-51.6	-21.6	178	-74.2	-174.6	151	0	0	115.3	T7	T7-E9 PolarHBondContact O-N 3.04Å
10	N	72.7	Confident	74.5	Confident	113 Å²	113	92.8 Å²	92.8	60%	0.604	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-104.5	-0.8	-176.3	-143.5	-9.4	0	0	0	115.1	T7 E8 I12 K101	T7-N10 PolarHBondContact O-N 3.5Å; E8-N10 PolarHBondContact O-N 3.39Å; N10-I12 PolarHBondContact O-N 2.8Å; N10-K101 PolarHBondContact O-NZ 3.18Å; N10-K101 PolarHBondContact OD1-NZ 2.99Å
11	K	91.5	Very high	75.1	Confident	150 Å²	150	95 Å²	95	65%	0.652	50%	0.499	S	S	*	.			trans	-76.2	125	179.1	-171.9	176.8	178.3	-176.8	0	110.1	E8 I13	E8-K11 PolarHBondContact O-N 2.73Å; K11-I13 PolarHBondContact O-N 3.32Å
12	I	95.8	Very high	77	Confident	63 Å²	63	87.5 Å²	87.5	32%	0.323	46%	0.461	S	S	.	.			trans	-74.7	119.7	170.2	-60.4	162.7	0	0	0	107.4	N10 K15 G41 L43 K101	N10-I12 PolarHBondContact O-N 2.8Å; I12-K15 HydrophobicContact CG2-CG 4.03Å; I12-G41 CarbonylContact C-O 3.54Å; I12-G41 WeakPolarHBondContact CA-O 3.27Å; I12-L43 HydrophobicContact CD1-CB 4.34Å; I12-L43 HydrophobicContact CD1-CD2 3.91Å; I12-L43 HydrophobicContact CG1-CB 4.26Å; I12-L43 HydrophobicContact CG2-CB 3.74Å; I12-K101 HydrophobicContact CG1-CD 4.35Å
13	I	96.4	Very high	78.7	Confident	123 Å²	123	83.2 Å²	83.2	63%	0.631	43%	0.434	S	S	*	.			trans	-102.6	-36.5	-179.9	-62.1	174.6	0	0	0	110.3	K11 G41	K11-I13 PolarHBondContact O-N 3.32Å; I13-G41 PolarHBondContact N-O 2.72Å
14	R	97.5	Very high	80.3	Confident	45 Å²	45	84.1 Å²	84.1	17%	0.17	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.5	-175	-173.8	175.7	63.5	167.3	2.5	110.8	I16 L37 G41 D42 L43 D126	R14-I16 HydrophobicContact CG-CG1 4.41Å; R14-L37 PolarHBondContact NH2-O 3.46Å; R14-G41 PolarHBondContact N-O 2.68Å; R14-D42 WeakPolarHBondContact CB-OD1 3.45Å; R14-D42 IonicContact CZ-OD1 3.26Å; R14-D42 VanDerWaalsContact CZ-OD1 3.26Å; R14-D42 IonicContact CZ-OD2 3.67Å; R14-D42 IonicContact NE-OD1 2.72Å; R14-D42 PolarHBondContact NE-OD1 2.74Å; R14-D42 IonicContact NE-OD2 3.86Å; R14-D42 IonicContact NH2-OD1 2.99Å; R14-D42 PolarHBondContact NH2-OD1 2.85Å; R14-D42 IonicContact NH2-OD2 2.68Å; R14-D42 PolarHBondContact NH2-OD2 3.46Å; R14-D42 CarbonylContact O-C 3.59Å; R14-D42 WeakPolarHBondContact O-CA 3.43Å; R14-L43 PolarHBondContact O-N 2.99Å; R14-D126 VanDerWaalsContact CA-OD2 3.27Å; R14-D126 WeakPolarHBondContact CA-OD2 3.24Å; R14-D126 HydrophobicContact CG-CB 3.63Å
15	K	98.6	Very high	81.9	Confident	50 Å²	50	77.8 Å²	77.8	22%	0.217	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.6	175.9	-67.1	-177.2	-179	-176.3	0	110.6	I12 L43 I45 Q123 I125 D126 N127	I12-K15 HydrophobicContact CG2-CG 4.03Å; K15-L43 WeakPolarHBondContact CA-O 3.46Å; K15-L43 HydrophobicContact CG-CB 4.45Å; K15-L43 HydrophobicContact CG-CD2 4.37Å; K15-I45 HydrophobicContact CD-CD1 4.2Å; K15-Q123 WeakPolarHBondContact CD-O 3.31Å; K15-Q123 PolarHBondContact NZ-O 3.33Å; K15-I125 HydrophobicContact CB-CD1 4.06Å; K15-D126 PolarHBondContact N-OD2 2.94Å; K15-D126 PolarHBondContact O-N 2.87Å; K15-N127 PolarHBondContact O-N 3.38Å
16	I	98.6	Very high	83.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.6	-179.3	-59.4	167.3	0	0	0	108.4	R14 I18 Y33 L37 D42 L43 I44 I45 N127 I129	R14-I16 HydrophobicContact CG-CG1 4.41Å; I16-I18 HydrophobicContact CG2-CG1 4.49Å; I16-Y33 HydrophobicContact CD1-CD2 3.95Å; I16-Y33 HydrophobicContact CD1-CE2 3.3Å; I16-L37 HydrophobicContact CD1-CD2 4.37Å; I16-D42 HydrophobicContact CD1-CB 4.46Å; I16-L43 PolarHBondContact N-O 3.45Å; I16-I44 HydrophobicContact CB-CD1 3.55Å; I16-I44 HydrophobicContact CD1-CD1 3.93Å; I16-I44 HydrophobicContact CG1-CD1 4.3Å; I16-I44 HydrophobicContact CG2-CD1 3.76Å; I16-I44 CarbonylContact O-C 3.52Å; I16-I44 WeakPolarHBondContact O-CA 3.48Å; I16-I45 PolarHBondContact O-N 2.92Å; I16-N127 CarbonylContact C-O 3.55Å; I16-N127 VanDerWaalsContact CA-O 3.27Å; I16-N127 WeakPolarHBondContact CA-O 3.38Å; I16-N127 HydrophobicContact CG1-CB 4.28Å; I16-I129 HydrophobicContact CG2-CD1 3.84Å; I16-I129 HydrophobicContact CG2-CG1 3.95Å
17	L	98.5	Very high	85.9	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.3	177.6	-174.4	67.3	0	0	0	110.2	P19 I45 L47 I116 T119 I120 I125 N127 I128 I129	L17-P19 HydrophobicContact CG-CG 4.5Å; L17-I45 WeakPolarHBondContact CA-O 3.15Å; L17-I45 HydrophobicContact CD1-CB 4.16Å; L17-I45 HydrophobicContact CD1-CG2 3.97Å; L17-I45 WeakPolarHBondContact CD1-O 3.42Å; L17-L47 HydrophobicContact CD1-CB 3.68Å; L17-L47 HydrophobicContact CD1-CD2 4.31Å; L17-L47 HydrophobicContact CD2-CD2 4.36Å; L17-I116 HydrophobicContact CD2-CG2 4.04Å; L17-T119 HydrophobicContact CD1-CG2 4.23Å; L17-T119 HydrophobicContact CD2-CG2 4.42Å; L17-I120 HydrophobicContact CD2-CG1 3.76Å; L17-I125 HydrophobicContact CB-CB 4.43Å; L17-I125 HydrophobicContact CB-CD1 3.96Å; L17-I125 HydrophobicContact CB-CG1 3.95Å; L17-I125 HydrophobicContact CB-CG2 3.62Å; L17-I125 HydrophobicContact CD1-CD1 4.45Å; L17-I125 HydrophobicContact CD2-CG1 4.34Å; L17-N127 PolarHBondContact N-O 2.96Å; L17-I128 HydrophobicContact CB-CB 4.32Å; L17-I128 HydrophobicContact CB-CG1 4.02Å; L17-I128 HydrophobicContact CD2-CD1 3.94Å; L17-I128 HydrophobicContact CD2-CG1 4.29Å; L17-I128 HydrophobicContact CG-CD1 4.39Å; L17-I128 HydrophobicContact CG-CG1 4.27Å; L17-I128 WeakPolarHBondContact O-CA 3.34Å; L17-I128 WeakPolarHBondContact O-CG1 3.41Å; L17-I129 PolarHBondContact O-N 2.93Å
18	I	97	Very high	87.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	101.7	170.1	-52.2	-174.2	0	0	0	107.6	I16 V20 A29 I44 I45 F46 L47 I129	I16-I18 HydrophobicContact CG2-CG1 4.49Å; I18-V20 HydrophobicContact CG2-CG1 3.89Å; I18-V20 PolarHBondContact O-N 2.96Å; I18-A29 HydrophobicContact CD1-CB 4.41Å; I18-A29 HydrophobicContact CG2-CB 3.92Å; I18-I44 HydrophobicContact CD1-CD1 4.41Å; I18-I44 HydrophobicContact CD1-CG2 3.73Å; I18-I44 HydrophobicContact CG1-CG2 4Å; I18-I45 PolarHBondContact N-O 2.87Å; I18-F46 HydrophobicContact CB-CD1 3.98Å; I18-F46 HydrophobicContact CB-CE1 4.26Å; I18-F46 HydrophobicContact CD1-CE1 4Å; I18-F46 HydrophobicContact CG2-CD1 4.35Å; I18-F46 WeakPolarHBondContact O-CA 3.37Å; I18-L47 PolarHBondContact O-N 3.3Å; I18-I129 HydrophobicContact CD1-CD1 4.29Å; I18-I129 HydrophobicContact CG1-CB 4.25Å; I18-I129 HydrophobicContact CG1-CD1 4.47Å
19	P	95.6	Very high	89.6	Confident	21 Å²	21	60.9 Å²	60.9	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.5	170.3	-18.2	32.1	0	0	0	110.1	L17 L47 I116 I128 I129 M130	L17-P19 HydrophobicContact CG-CG 4.5Å; P19-L47 CarbonylContact C-O 3.52Å; P19-L47 VanDerWaalsContact CA-O 3.29Å; P19-L47 WeakPolarHBondContact CA-O 3.46Å; P19-I116 HydrophobicContact CB-CD1 3.81Å; P19-I116 HydrophobicContact CB-CG1 4.26Å; P19-I116 HydrophobicContact CG-CD1 3.93Å; P19-I116 HydrophobicContact CG-CG1 4.18Å; P19-I116 HydrophobicContact CG-CG2 4.14Å; P19-I128 HydrophobicContact CG-CD1 3.68Å; P19-I128 HydrophobicContact CG-CG1 4.19Å; P19-I129 VanDerWaalsContact CD-O 3.29Å; P19-I129 WeakPolarHBondContact CD-O 3.38Å; P19-M130 HydrophobicContact CG-CG 4.49Å
20	V	93.4	Very high	91.3	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	26%	0.256	C	S	.	.			trans	-127.5	140.1	-174.3	-64.5	0	0	0	0	111.1	I18 A26 F46 L47 H48 L87 L91	I18-V20 HydrophobicContact CG2-CG1 3.89Å; I18-V20 PolarHBondContact O-N 2.96Å; V20-A26 HydrophobicContact CB-CB 4.17Å; V20-A26 HydrophobicContact CG1-CB 3.55Å; V20-F46 HydrophobicContact CG1-CD1 3.96Å; V20-F46 HydrophobicContact CG2-CB 4.27Å; V20-L47 PolarHBondContact N-O 2.98Å; V20-H48 HydrophobicContact CG2-CB 4.19Å; V20-H48 PolarHBondContact O-ND1 3.43Å; V20-L87 HydrophobicContact CB-CD2 4.45Å; V20-L87 HydrophobicContact CG2-CD2 4.27Å; V20-L91 HydrophobicContact CB-CD1 3.92Å; V20-L91 HydrophobicContact CG1-CD1 3.78Å; V20-L91 HydrophobicContact CG2-CD1 3.78Å
21	Y	86.4	Confident	92.3	Very high	141 Å²	141	49.4 Å²	49.4	55%	0.553	24%	0.239	S	C	*	.	S	Bend	trans	-121.9	-38.9	176.5	-178.2	-100.3	0	0	0	111.3	H48 L87	Y21-H48 PolarHBondContact O-CE1 2.87Å; Y21-L87 WeakPolarHBondContact O-CD2 3.39Å
22	E	82.5	Confident	92.5	Very high	75 Å²	75	46 Å²	46	35%	0.35	22%	0.222	S	C	.	.	S	Bend	trans	-144.4	161	-179.5	70.3	-161	125	0	0	110.6	E25 A26	E22-E25 HydrophobicContact CG-CB 4.14Å; E22-E25 HydrophobicContact CG-CG 4.07Å; E22-E25 WeakPolarHBondContact CG-OE2 3.17Å; E22-E25 VanDerWaalsContact OE1-OE1 3.12Å; E22-A26 PolarHBondContact O-N 3.01Å
23	S	82	Confident	92.6	Very high	42 Å²	42	43 Å²	43	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-69.7	-47.2	-168.3	177.1	0	0	0	0	114.4	E25 A26 H27	S23-E25 VanDerWaalsContact C-N 3.3Å; S23-E25 PolarHBondContact O-N 3.4Å; S23-A26 PolarHBondContact O-N 3.3Å; S23-A26 VanDerWaalsContact O-N 3.11Å; S23-H27 PolarHBondContact O-N 2.85Å
24	P	85.4	Confident	92.6	Very high	81 Å²	81	39.1 Å²	39.1	53%	0.526	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-37.9	-177	-25.1	35.1	0	0	0	113.9	K28	P24-K28 WeakPolarHBondContact O-CG 3.21Å; P24-K28 PolarHBondContact O-N 2.9Å
25	E	83	Confident	92.5	Very high	36 Å²	36	42.5 Å²	42.5	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-48.3	176.3	-83.3	70.9	-176.1	0	0	110.2	E22 S23 H27 K28 A29 L131	E22-E25 HydrophobicContact CG-CB 4.14Å; E22-E25 HydrophobicContact CG-CG 4.07Å; E22-E25 WeakPolarHBondContact CG-OE2 3.17Å; E22-E25 VanDerWaalsContact OE1-OE1 3.12Å; S23-E25 VanDerWaalsContact C-N 3.3Å; S23-E25 PolarHBondContact O-N 3.4Å; E25-H27 VanDerWaalsContact C-N 3.34Å; E25-H27 PolarHBondContact O-N 3.42Å; E25-K28 WeakPolarHBondContact O-CB 3.27Å; E25-K28 PolarHBondContact O-N 3.35Å; E25-A29 PolarHBondContact O-N 2.79Å; E25-A29 VanDerWaalsContact O-N 3.15Å; E25-L131 HydrophobicContact CB-CD1 4.09Å; E25-L131 HydrophobicContact CB-CD2 4Å; E25-L131 HydrophobicContact CB-CG 4.44Å; E25-L131 HydrophobicContact CG-CD2 4.37Å; E25-L131 VanDerWaalsContact O-CD1 3.28Å; E25-L131 WeakPolarHBondContact O-CD1 3.35Å; E25-L131 WeakPolarHBondContact O-CD2 3.41Å
26	A	89.5	Confident	92.4	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-39.7	-179.7	0	0	0	0	0	112	V20 E22 S23 K28 A29 I30 L91	V20-A26 HydrophobicContact CB-CB 4.17Å; V20-A26 HydrophobicContact CG1-CB 3.55Å; E22-A26 PolarHBondContact O-N 3.01Å; S23-A26 PolarHBondContact O-N 3.3Å; S23-A26 VanDerWaalsContact O-N 3.11Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 3.49Å; A26-A29 PolarHBondContact O-N 2.98Å; A26-A29 VanDerWaalsContact O-N 3.11Å; A26-I30 WeakPolarHBondContact O-CG1 3.46Å; A26-I30 PolarHBondContact O-N 3.24Å; A26-L91 HydrophobicContact CB-CD1 3.64Å; A26-L91 HydrophobicContact CB-CD2 3.33Å; A26-L91 HydrophobicContact CB-CG 4.11Å
27	H	92.3	Very high	92.3	Very high	77 Å²	77	46.6 Å²	46.6	36%	0.356	23%	0.234	S	C	.	.	H	α-helix	trans	-54.3	-48.7	171.8	180	67.9	0	0	0	111.6	S23 E25 A29 I30 I31 E94	S23-H27 PolarHBondContact O-N 2.85Å; E25-H27 VanDerWaalsContact C-N 3.34Å; E25-H27 PolarHBondContact O-N 3.42Å; H27-A29 VanDerWaalsContact C-N 3.28Å; H27-A29 PolarHBondContact O-N 2.83Å; H27-I30 PolarHBondContact O-N 3.06Å; H27-I30 VanDerWaalsContact O-N 3.12Å; H27-I31 WeakPolarHBondContact O-CG1 3.06Å; H27-I31 PolarHBondContact O-N 3.06Å; H27-E94 IonicContact CE1-OE1 3.51Å; H27-E94 IonicContact CG-OE1 3.63Å; H27-E94 VanDerWaalsContact ND1-CD 3.34Å; H27-E94 IonicContact ND1-OE1 2.65Å; H27-E94 PolarHBondContact ND1-OE1 3.11Å; H27-E94 IonicContact ND1-OE2 3.6Å
28	K	91	Very high	92.2	Very high	73 Å²	73	50.3 Å²	50.3	32%	0.317	25%	0.25	S	S	.	.	H	α-helix	trans	-58.9	-39	177.3	-70.3	176.6	-178.7	-174.4	0	112.4	P24 E25 A26 W32 L131 S163 N165	P24-K28 WeakPolarHBondContact O-CG 3.21Å; P24-K28 PolarHBondContact O-N 2.9Å; E25-K28 WeakPolarHBondContact O-CB 3.27Å; E25-K28 PolarHBondContact O-N 3.35Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-K28 PolarHBondContact O-N 3.49Å; K28-W32 WeakPolarHBondContact O-CB 3.4Å; K28-W32 PolarHBondContact O-N 3.34Å; K28-L131 HydrophobicContact CB-CD2 4.1Å; K28-S163 PolarHBondContact NZ-OG 2.78Å; K28-N165 PolarHBondContact NZ-OD1 2.83Å
29	A	93.4	Very high	92.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-39.5	175.9	0	0	0	0	0	112.7	I18 E25 A26 H27 W32 Y33 I129 L131 L161	I18-A29 HydrophobicContact CD1-CB 4.41Å; I18-A29 HydrophobicContact CG2-CB 3.92Å; E25-A29 PolarHBondContact O-N 2.79Å; E25-A29 VanDerWaalsContact O-N 3.15Å; A26-A29 PolarHBondContact O-N 2.98Å; A26-A29 VanDerWaalsContact O-N 3.11Å; H27-A29 VanDerWaalsContact C-N 3.28Å; H27-A29 PolarHBondContact O-N 2.83Å; A29-W32 PolarHBondContact O-N 3.36Å; A29-Y33 VanDerWaalsContact O-CB 3.23Å; A29-Y33 WeakPolarHBondContact O-CB 3.07Å; A29-Y33 PolarHBondContact O-N 2.84Å; A29-I129 HydrophobicContact CB-CG2 4.26Å; A29-L131 HydrophobicContact CB-CD1 3.71Å; A29-L131 HydrophobicContact CB-CG 4.29Å; A29-L161 HydrophobicContact CB-CD1 4Å
30	I	95.4	Very high	92.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-51.7	175	-68.2	168.1	0	0	0	110.1	A26 H27 W32 Y33 V34 F46 L91 E94 Y98 I100	A26-I30 WeakPolarHBondContact O-CG1 3.46Å; A26-I30 PolarHBondContact O-N 3.24Å; H27-I30 PolarHBondContact O-N 3.06Å; H27-I30 VanDerWaalsContact O-N 3.12Å; I30-W32 PolarHBondContact O-N 2.8Å; I30-Y33 WeakPolarHBondContact O-CB 3.35Å; I30-Y33 PolarHBondContact O-N 3.37Å; I30-V34 HydrophobicContact CG2-CG2 4.47Å; I30-V34 WeakPolarHBondContact O-CG2 3.06Å; I30-V34 PolarHBondContact O-N 3.09Å; I30-F46 HydrophobicContact CD1-CE1 3.97Å; I30-F46 HydrophobicContact CD1-CZ 3.7Å; I30-F46 HydrophobicContact CG1-CE1 3.9Å; I30-F46 HydrophobicContact CG1-CZ 3.83Å; I30-L91 HydrophobicContact CD1-CD2 3.94Å; I30-E94 HydrophobicContact CD1-CB 4.4Å; I30-E94 HydrophobicContact CD1-CG 4.39Å; I30-Y98 HydrophobicContact CG2-CD2 3.75Å; I30-Y98 HydrophobicContact CG2-CE2 4.17Å; I30-Y98 HydrophobicContact CG2-CG 4.45Å; I30-I100 HydrophobicContact CG2-CD1 4.03Å
31	I	95.1	Very high	92.2	Very high	49 Å²	49	60.2 Å²	60.2	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-46.4	179.5	-62.3	-57.6	0	0	0	111.5	H27 Y33 V34 N35 Y98	H27-I31 WeakPolarHBondContact O-CG1 3.06Å; H27-I31 PolarHBondContact O-N 3.06Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 2.88Å; I31-V34 PolarHBondContact O-N 2.83Å; I31-N35 WeakPolarHBondContact O-CB 2.75Å; I31-N35 PolarHBondContact O-N 2.92Å; I31-N35 VanDerWaalsContact O-N 3.09Å; I31-N35 PolarHBondContact O-ND2 3.24Å; I31-Y98 HydrophobicContact CD1-CE1 3.91Å; I31-Y98 HydrophobicContact CD1-CE2 3.95Å; I31-Y98 VanDerWaalsContact CD1-CZ 3.41Å; I31-Y98 WeakPolarHBondContact CD1-OH 3.38Å
32	W	95.1	Very high	92.7	Very high	78 Å²	78	54 Å²	54	30%	0.295	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-44.1	178.5	-176.7	91.5	0	0	0	111.4	K28 A29 I30 V34 N35 N36 L37 I129 T159 L161	K28-W32 WeakPolarHBondContact O-CB 3.4Å; K28-W32 PolarHBondContact O-N 3.34Å; A29-W32 PolarHBondContact O-N 3.36Å; I30-W32 PolarHBondContact O-N 2.8Å; W32-V34 PolarHBondContact O-N 3.02Å; W32-N35 PolarHBondContact O-N 2.93Å; W32-N36 HydrophobicContact CD2-CB 4.25Å; W32-N36 HydrophobicContact CH2-CB 4.2Å; W32-N36 HydrophobicContact CZ2-CB 3.89Å; W32-N36 WeakPolarHBondContact O-CB 3.39Å; W32-N36 PolarHBondContact O-N 3.46Å; W32-N36 PolarHBondContact O-ND2 2.91Å; W32-L37 HydrophobicContact CH2-CB 4.41Å; W32-L37 HydrophobicContact CZ3-CB 3.99Å; W32-L37 HydrophobicContact CZ3-CD2 4.04Å; W32-I129 HydrophobicContact CE3-CD1 4.22Å; W32-I129 HydrophobicContact CE3-CG2 4.42Å; W32-I129 HydrophobicContact CZ3-CD1 4.09Å; W32-I129 HydrophobicContact CZ3-CG1 4.42Å; W32-T159 HydrophobicContact CE3-CG2 4.37Å; W32-T159 HydrophobicContact CH2-CG2 3.42Å; W32-T159 VanDerWaalsContact CH2-CG2 3.42Å; W32-T159 HydrophobicContact CZ2-CG2 3.87Å; W32-T159 HydrophobicContact CZ3-CG2 3.7Å; W32-L161 HydrophobicContact CB-CD1 3.75Å; W32-L161 HydrophobicContact CB-CD2 4.37Å; W32-L161 HydrophobicContact CD2-CD1 4.13Å; W32-L161 HydrophobicContact CD2-CD2 3.39Å; W32-L161 HydrophobicContact CD2-CG 4.4Å; W32-L161 HydrophobicContact CE3-CD1 4.29Å; W32-L161 HydrophobicContact CE3-CD2 3.87Å; W32-L161 HydrophobicContact CG-CD1 3.89Å; W32-L161 HydrophobicContact CG-CD2 3.59Å; W32-L161 HydrophobicContact CG-CG 4.41Å; W32-L161 HydrophobicContact CZ2-CD2 4.16Å; W32-L161 HydrophobicContact CZ3-CD2 4.45Å
33	Y	97	Very high	93.5	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-48.8	177	161.4	-104.3	0	0	0	111.7	I16 A29 I30 I31 N35 N36 L37 K38 D42 I44 I100 I129	I16-Y33 HydrophobicContact CD1-CD2 3.95Å; I16-Y33 HydrophobicContact CD1-CE2 3.3Å; A29-Y33 VanDerWaalsContact O-CB 3.23Å; A29-Y33 WeakPolarHBondContact O-CB 3.07Å; A29-Y33 PolarHBondContact O-N 2.84Å; I30-Y33 WeakPolarHBondContact O-CB 3.35Å; I30-Y33 PolarHBondContact O-N 3.37Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 2.88Å; Y33-N35 VanDerWaalsContact C-N 3.28Å; Y33-N35 PolarHBondContact O-N 3.33Å; Y33-N36 PolarHBondContact O-N 3.35Å; Y33-L37 HydrophobicContact CD2-CB 3.9Å; Y33-L37 HydrophobicContact CD2-CD2 4.3Å; Y33-L37 HydrophobicContact CD2-CG 4.22Å; Y33-L37 HydrophobicContact CE2-CB 4.42Å; Y33-L37 HydrophobicContact CE2-CG 4.49Å; Y33-L37 PolarHBondContact O-N 3.41Å; Y33-K38 HydrophobicContact CE1-CB 4.04Å; Y33-K38 HydrophobicContact CE1-CD 4.46Å; Y33-K38 HydrophobicContact CE1-CG 4.16Å; Y33-K38 HydrophobicContact CE2-CB 4.14Å; Y33-K38 PolarHBondContact O-N 3.33Å; Y33-D42 WeakPolarHBondContact OH-CB 3.48Å; Y33-D42 PolarHBondContact OH-OD2 3.1Å; Y33-I44 HydrophobicContact CD1-CD1 4.04Å; Y33-I44 HydrophobicContact CD1-CG1 4.27Å; Y33-I44 HydrophobicContact CD2-CD1 4Å; Y33-I44 HydrophobicContact CE1-CD1 3.72Å; Y33-I44 HydrophobicContact CE1-CG1 3.82Å; Y33-I44 HydrophobicContact CE2-CD1 3.73Å; Y33-I44 HydrophobicContact CG-CD1 4.15Å; Y33-I100 HydrophobicContact CD1-CD1 3.93Å; Y33-I100 HydrophobicContact CE1-CD1 3.81Å; Y33-I100 HydrophobicContact CE1-CG1 4.04Å; Y33-I100 HydrophobicContact CE1-CG2 3.89Å; Y33-I129 HydrophobicContact CD2-CD1 4.07Å; Y33-I129 HydrophobicContact CG-CD1 4.3Å
34	V	96.7	Very high	94.2	Very high	40 Å²	40	48.7 Å²	48.7	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-56.4	-43.9	178.5	170.8	0	0	0	0	111.4	I30 I31 W32 Y98 I100	I30-V34 HydrophobicContact CG2-CG2 4.47Å; I30-V34 WeakPolarHBondContact O-CG2 3.06Å; I30-V34 PolarHBondContact O-N 3.09Å; I31-V34 PolarHBondContact O-N 2.83Å; W32-V34 PolarHBondContact O-N 3.02Å; V34-Y98 HydrophobicContact CG2-CD1 4.25Å; V34-Y98 HydrophobicContact CG2-CG 4.15Å; V34-I100 HydrophobicContact CG2-CD1 3.59Å; V34-I100 HydrophobicContact CG2-CG1 4.35Å
35	N	96.2	Very high	94.9	Very high	116 Å²	116	44.9 Å²	44.9	62%	0.62	24%	0.235	S	C	*	.	H	α-helix	trans	-80.5	-21.7	-173.8	-69	-23.6	0	0	0	114.1	I31 W32 Y33	I31-N35 WeakPolarHBondContact O-CB 2.75Å; I31-N35 PolarHBondContact O-N 2.92Å; I31-N35 VanDerWaalsContact O-N 3.09Å; I31-N35 PolarHBondContact O-ND2 3.24Å; W32-N35 PolarHBondContact O-N 2.93Å; Y33-N35 VanDerWaalsContact C-N 3.28Å; Y33-N35 PolarHBondContact O-N 3.33Å
36	N	96.6	Very high	95.6	Very high	103 Å²	103	43.2 Å²	43.2	55%	0.551	23%	0.227	S	C	*	.	H	α-helix	trans	-129.6	-22.3	-166.4	-59.5	-86.4	0	0	0	115	W32 Y33	W32-N36 HydrophobicContact CD2-CB 4.25Å; W32-N36 HydrophobicContact CH2-CB 4.2Å; W32-N36 HydrophobicContact CZ2-CB 3.89Å; W32-N36 WeakPolarHBondContact O-CB 3.39Å; W32-N36 PolarHBondContact O-N 3.46Å; W32-N36 PolarHBondContact O-ND2 2.91Å; Y33-N36 PolarHBondContact O-N 3.35Å
37	L	96.5	Very high	96	Very high	33 Å²	33	43.2 Å²	43.2	17%	0.173	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-19.4	-167.9	-171.3	61.6	0	0	0	114.6	R14 I16 W32 Y33 L39 I129	R14-L37 PolarHBondContact NH2-O 3.46Å; I16-L37 HydrophobicContact CD1-CD2 4.37Å; W32-L37 HydrophobicContact CH2-CB 4.41Å; W32-L37 HydrophobicContact CZ3-CB 3.99Å; W32-L37 HydrophobicContact CZ3-CD2 4.04Å; Y33-L37 HydrophobicContact CD2-CB 3.9Å; Y33-L37 HydrophobicContact CD2-CD2 4.3Å; Y33-L37 HydrophobicContact CD2-CG 4.22Å; Y33-L37 HydrophobicContact CE2-CB 4.42Å; Y33-L37 HydrophobicContact CE2-CG 4.49Å; Y33-L37 PolarHBondContact O-N 3.41Å; L37-L39 PolarHBondContact O-N 2.9Å; L37-I129 HydrophobicContact CD2-CD1 3.97Å; L37-I129 HydrophobicContact CD2-CG1 4.26Å
38	K	96.4	Very high	96.2	Very high	79 Å²	79	40.3 Å²	40.3	34%	0.343	21%	0.214	S	C	.	.			trans	-56.5	126.8	-176.8	-177.5	175	-175.7	174.6	0	112.4	Y33 Y98 G99	Y33-K38 HydrophobicContact CE1-CB 4.04Å; Y33-K38 HydrophobicContact CE1-CD 4.46Å; Y33-K38 HydrophobicContact CE1-CG 4.16Å; Y33-K38 HydrophobicContact CE2-CB 4.14Å; Y33-K38 PolarHBondContact O-N 3.33Å; K38-Y98 PolarHBondContact NZ-O 3.25Å; K38-G99 PolarHBondContact NZ-O 2.62Å
39	L	96	Very high	96.3	Very high	97 Å²	97	37.7 Å²	37.7	51%	0.508	20%	0.204	S	C	.	.			trans	-130	158.6	173.2	-65.4	178.3	0	0	0	111	L37 D42	L37-L39 PolarHBondContact O-N 2.9Å; L39-D42 PolarHBondContact N-OD2 2.97Å; L39-D42 WeakPolarHBondContact O-CB 3.3Å; L39-D42 PolarHBondContact O-N 3.31Å
40	P	94.6	Very high	96.3	Very high	118 Å²	118	37.8 Å²	37.8	77%	0.766	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	140.5	170.4	-22.9	34.1	0	0	0	112	D42	P40-D42 VanDerWaalsContact C-N 3.33Å
41	G	95.3	Very high	96	Very high	23 Å²	23	42.8 Å²	42.8	24%	0.237	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	7.5	-179.6	0	0	0	0	0	114.8	I12 I13 R14	I12-G41 CarbonylContact C-O 3.54Å; I12-G41 WeakPolarHBondContact CA-O 3.27Å; I13-G41 PolarHBondContact N-O 2.72Å; R14-G41 PolarHBondContact N-O 2.68Å
42	D	97.4	Very high	95.6	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	140.5	172.8	-74.8	-18.2	0	0	0	112.4	R14 I16 Y33 L39 P40	R14-D42 WeakPolarHBondContact CB-OD1 3.45Å; R14-D42 IonicContact CZ-OD1 3.26Å; R14-D42 VanDerWaalsContact CZ-OD1 3.26Å; R14-D42 IonicContact CZ-OD2 3.67Å; R14-D42 IonicContact NE-OD1 2.72Å; R14-D42 PolarHBondContact NE-OD1 2.74Å; R14-D42 IonicContact NE-OD2 3.86Å; R14-D42 IonicContact NH2-OD1 2.99Å; R14-D42 PolarHBondContact NH2-OD1 2.85Å; R14-D42 IonicContact NH2-OD2 2.68Å; R14-D42 PolarHBondContact NH2-OD2 3.46Å; R14-D42 CarbonylContact O-C 3.59Å; R14-D42 WeakPolarHBondContact O-CA 3.43Å; I16-D42 HydrophobicContact CD1-CB 4.46Å; Y33-D42 WeakPolarHBondContact OH-CB 3.48Å; Y33-D42 PolarHBondContact OH-OD2 3.1Å; L39-D42 PolarHBondContact N-OD2 2.97Å; L39-D42 WeakPolarHBondContact O-CB 3.3Å; L39-D42 PolarHBondContact O-N 3.31Å; P40-D42 VanDerWaalsContact C-N 3.33Å
43	L	98.2	Very high	94.9	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122	162	174	70.1	0	0	0	109	I12 R14 K15 I16 I45 K101 E103	I12-L43 HydrophobicContact CD1-CB 4.34Å; I12-L43 HydrophobicContact CD1-CD2 3.91Å; I12-L43 HydrophobicContact CG1-CB 4.26Å; I12-L43 HydrophobicContact CG2-CB 3.74Å; R14-L43 PolarHBondContact O-N 2.99Å; K15-L43 WeakPolarHBondContact CA-O 3.46Å; K15-L43 HydrophobicContact CG-CB 4.45Å; K15-L43 HydrophobicContact CG-CD2 4.37Å; I16-L43 PolarHBondContact N-O 3.45Å; L43-I45 HydrophobicContact CD2-CD1 4.12Å; L43-I45 HydrophobicContact CD2-CG1 3.99Å; L43-I45 HydrophobicContact CG-CG1 4.13Å; L43-K101 HydrophobicContact CD1-CB 4.49Å; L43-K101 HydrophobicContact CD1-CG 3.92Å; L43-E103 HydrophobicContact CD1-CG 4.16Å
44	I	98.2	Very high	93.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.6	167.9	-60.8	-54.5	0	0	0	109.7	I16 I18 Y33 F46 I100 K101 S102 E103	I16-I44 HydrophobicContact CB-CD1 3.55Å; I16-I44 HydrophobicContact CD1-CD1 3.93Å; I16-I44 HydrophobicContact CG1-CD1 4.3Å; I16-I44 HydrophobicContact CG2-CD1 3.76Å; I16-I44 CarbonylContact O-C 3.52Å; I16-I44 WeakPolarHBondContact O-CA 3.48Å; I18-I44 HydrophobicContact CD1-CD1 4.41Å; I18-I44 HydrophobicContact CD1-CG2 3.73Å; I18-I44 HydrophobicContact CG1-CG2 4Å; Y33-I44 HydrophobicContact CD1-CD1 4.04Å; Y33-I44 HydrophobicContact CD1-CG1 4.27Å; Y33-I44 HydrophobicContact CD2-CD1 4Å; Y33-I44 HydrophobicContact CE1-CD1 3.72Å; Y33-I44 HydrophobicContact CE1-CG1 3.82Å; Y33-I44 HydrophobicContact CE2-CD1 3.73Å; Y33-I44 HydrophobicContact CG-CD1 4.15Å; I44-F46 HydrophobicContact CG2-CD1 4.12Å; I44-F46 HydrophobicContact CG2-CD2 4.23Å; I44-F46 HydrophobicContact CG2-CE1 3.74Å; I44-F46 HydrophobicContact CG2-CE2 3.87Å; I44-F46 HydrophobicContact CG2-CG 4.35Å; I44-F46 HydrophobicContact CG2-CZ 3.6Å; I44-I100 HydrophobicContact CB-CG2 4.17Å; I44-I100 HydrophobicContact CG1-CG2 3.46Å; I44-I100 VanDerWaalsContact CG1-CG2 3.46Å; I44-K101 PolarHBondContact N-O 2.94Å; I44-S102 CarbonylContact O-C 3.56Å; I44-S102 WeakPolarHBondContact O-CA 3.15Å; I44-S102 WeakPolarHBondContact O-CB 3.5Å; I44-E103 PolarHBondContact O-N 2.81Å
45	I	98.5	Very high	92.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113	170.8	-59.1	178.4	0	0	0	107.9	K15 I16 L17 I18 L43 E103 M105 Q123 I125	K15-I45 HydrophobicContact CD-CD1 4.2Å; I16-I45 PolarHBondContact O-N 2.92Å; L17-I45 WeakPolarHBondContact CA-O 3.15Å; L17-I45 HydrophobicContact CD1-CB 4.16Å; L17-I45 HydrophobicContact CD1-CG2 3.97Å; L17-I45 WeakPolarHBondContact CD1-O 3.42Å; I18-I45 PolarHBondContact N-O 2.87Å; L43-I45 HydrophobicContact CD2-CD1 4.12Å; L43-I45 HydrophobicContact CD2-CG1 3.99Å; L43-I45 HydrophobicContact CG-CG1 4.13Å; I45-E103 WeakPolarHBondContact CA-O 3.46Å; I45-M105 HydrophobicContact CG2-CG 4Å; I45-M105 HydrophobicContact CG2-SD 3.77Å; I45-Q123 HydrophobicContact CD1-CB 4.37Å; I45-I125 HydrophobicContact CD1-CD1 3.82Å
46	F	98.1	Very high	90.9	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126	170.7	-61.1	-70.9	0	0	0	109.5	I18 V20 I30 I44 L91 V92 A95 E103 A104 M105	I18-F46 HydrophobicContact CB-CD1 3.98Å; I18-F46 HydrophobicContact CB-CE1 4.26Å; I18-F46 HydrophobicContact CD1-CE1 4Å; I18-F46 HydrophobicContact CG2-CD1 4.35Å; I18-F46 WeakPolarHBondContact O-CA 3.37Å; V20-F46 HydrophobicContact CG1-CD1 3.96Å; V20-F46 HydrophobicContact CG2-CB 4.27Å; I30-F46 HydrophobicContact CD1-CE1 3.97Å; I30-F46 HydrophobicContact CD1-CZ 3.7Å; I30-F46 HydrophobicContact CG1-CE1 3.9Å; I30-F46 HydrophobicContact CG1-CZ 3.83Å; I44-F46 HydrophobicContact CG2-CD1 4.12Å; I44-F46 HydrophobicContact CG2-CD2 4.23Å; I44-F46 HydrophobicContact CG2-CE1 3.74Å; I44-F46 HydrophobicContact CG2-CE2 3.87Å; I44-F46 HydrophobicContact CG2-CG 4.35Å; I44-F46 HydrophobicContact CG2-CZ 3.6Å; F46-L91 HydrophobicContact CD1-CB 4.32Å; F46-L91 HydrophobicContact CD1-CD1 4.14Å; F46-L91 HydrophobicContact CD2-CB 3.99Å; F46-L91 HydrophobicContact CE1-CB 4.34Å; F46-L91 HydrophobicContact CE2-CB 4Å; F46-L91 HydrophobicContact CG-CB 4.15Å; F46-L91 HydrophobicContact CG-CD1 4.32Å; F46-L91 HydrophobicContact CZ-CB 4.18Å; F46-V92 HydrophobicContact CD2-CG2 4.27Å; F46-A95 HydrophobicContact CE2-CB 3.93Å; F46-A95 HydrophobicContact CZ-CB 4.04Å; F46-E103 PolarHBondContact N-O 3.36Å; F46-A104 HydrophobicContact CB-CB 4.17Å; F46-A104 CarbonylContact O-C 3.57Å; F46-A104 WeakPolarHBondContact O-CA 3.39Å; F46-M105 PolarHBondContact O-N 2.86Å
47	L	97.8	Very high	89.4	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.4	178.5	173.2	66.3	0	0	0	110.9	L17 I18 P19 V20 V49 M105 Q107 I116 T119	L17-L47 HydrophobicContact CD1-CB 3.68Å; L17-L47 HydrophobicContact CD1-CD2 4.31Å; L17-L47 HydrophobicContact CD2-CD2 4.36Å; I18-L47 PolarHBondContact O-N 3.3Å; P19-L47 CarbonylContact C-O 3.52Å; P19-L47 VanDerWaalsContact CA-O 3.29Å; P19-L47 WeakPolarHBondContact CA-O 3.46Å; V20-L47 PolarHBondContact N-O 2.98Å; L47-V49 HydrophobicContact CD1-CG2 4.49Å; L47-V49 HydrophobicContact CD2-CG2 4.33Å; L47-V49 HydrophobicContact CG-CG2 4.21Å; L47-M105 WeakPolarHBondContact CA-O 3.24Å; L47-M105 HydrophobicContact CD1-CB 4.12Å; L47-Q107 HydrophobicContact CD1-CB 4.2Å; L47-Q107 HydrophobicContact CD1-CG 3.8Å; L47-I116 HydrophobicContact CD2-CB 4.43Å; L47-I116 HydrophobicContact CD2-CG1 3.83Å; L47-T119 HydrophobicContact CD2-CG2 4.04Å
48	H	95.9	Very high	87.7	Confident	16 Å²	16	50 Å²	50	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.9	169.2	-167.7	92.7	0	0	0	110.3	V20 Y21 A84 M105 I106 Q107	V20-H48 HydrophobicContact CG2-CB 4.19Å; V20-H48 PolarHBondContact O-ND1 3.43Å; Y21-H48 PolarHBondContact O-CE1 2.87Å; H48-A84 HydrophobicContact CB-CB 4.43Å; H48-A84 WeakPolarHBondContact CD2-CB 3.35Å; H48-M105 PolarHBondContact N-O 3.48Å; H48-I106 WeakPolarHBondContact O-CA 3.31Å; H48-Q107 PolarHBondContact O-N 2.94Å
49	V	94.9	Very high	85.8	Confident	17 Å²	17	49.1 Å²	49.1	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.7	174.6	-174.5	0	0	0	0	109.1	L47 Q107 D109 P112 A115 I116	L47-V49 HydrophobicContact CD1-CG2 4.49Å; L47-V49 HydrophobicContact CD2-CG2 4.33Å; L47-V49 HydrophobicContact CG-CG2 4.21Å; V49-Q107 CarbonylContact C-O 3.57Å; V49-Q107 WeakPolarHBondContact CA-O 3.35Å; V49-D109 HydrophobicContact CG1-CB 4.07Å; V49-P112 HydrophobicContact CB-CB 4.25Å; V49-P112 HydrophobicContact CG1-CB 4.23Å; V49-P112 HydrophobicContact CG1-CG 4.24Å; V49-A115 HydrophobicContact CG1-CB 4.31Å; V49-A115 HydrophobicContact CG2-CB 4.19Å; V49-I116 HydrophobicContact CG2-CG1 4.47Å
50	V	92.9	Very high	83.9	Confident	3 Å²	3	48 Å²	48	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.9	173.4	-178.7	0	0	0	0	108.9	N80 M81 A84 I106 Q107 V108 D109	V50-N80 HydrophobicContact CG1-CB 3.94Å; V50-M81 HydrophobicContact CG2-CE 4.36Å; V50-A84 HydrophobicContact CG2-CB 3.66Å; V50-I106 HydrophobicContact CG2-CG2 3.79Å; V50-Q107 PolarHBondContact N-O 2.94Å; V50-V108 HydrophobicContact CB-CG2 4.42Å; V50-V108 WeakPolarHBondContact O-CA 3.31Å; V50-D109 PolarHBondContact O-N 3.12Å
51	E	89.1	Confident	82.1	Confident	105 Å²	105	48.8 Å²	48.8	49%	0.491	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-75.1	126.2	172.7	-65.4	177.5	-100.3	0	0	110.1	D109 P112	E51-D109 WeakPolarHBondContact CA-O 3.43Å; E51-P112 HydrophobicContact CG-CG 3.86Å
52	P	87.3	Confident	80.2	Confident	15 Å²	15	50.7 Å²	50.7	10%	0.097	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.5	155.9	176.3	28.9	-33.2	0	0	0	111.8	L54 Y74 V108 D109 T110	P52-L54 PolarHBondContact O-N 3.39Å; P52-Y74 HydrophobicContact CB-CD1 3.94Å; P52-Y74 HydrophobicContact CB-CG 4.17Å; P52-Y74 HydrophobicContact CG-CD1 3.51Å; P52-Y74 HydrophobicContact CG-CE1 4.24Å; P52-Y74 HydrophobicContact CG-CG 3.98Å; P52-V108 HydrophobicContact CB-CG1 4.32Å; P52-V108 HydrophobicContact CG-CG1 4.33Å; P52-D109 WeakPolarHBondContact CD-O 3.17Å; P52-T110 HydrophobicContact CG-CG2 3.71Å
53	I	79.7	Confident	78	Confident	92 Å²	92	56 Å²	56	47%	0.472	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-78	117.9	172.6	-60.2	172.8	0	0	0	107.9	H75	I53-H75 PolarHBondContact N-O 3.5Å; I53-H75 PolarHBondContact O-N 3.49Å
54	L	73.5	Confident	75.7	Confident	113 Å²	113	64.2 Å²	64.2	59%	0.592	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-74.6	134.8	171.5	-71.5	165.6	0	0	0	109.8	P52 S56 Y74	P52-L54 PolarHBondContact O-N 3.39Å; L54-S56 PolarHBondContact O-N 3.28Å; L54-Y74 HydrophobicContact CD2-CD1 3.96Å; L54-Y74 HydrophobicContact CD2-CE1 3.49Å; L54-Y74 VanDerWaalsContact CD2-CE1 3.49Å
55	P	68.2	Low	73.2	Confident	69 Å²	69	73.2 Å²	73.2	45%	0.448	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-57.1	121.5	164.9	-17.9	29	0	0	0	108.9	D72	P55-D72 HydrophobicContact CG-CB 3.96Å
56	S	63.8	Low	70.5	Confident	59 Å²	59	81.9 Å²	81.9	41%	0.413	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-77.4	149.6	176.8	75.2	0	0	0	0	109.7	L54 L58 S59	L54-S56 PolarHBondContact O-N 3.28Å; S56-L58 PolarHBondContact O-N 3.05Å; S56-L58 VanDerWaalsContact O-N 3.1Å; S56-L58 PolarHBondContact OG-N 2.76Å; S56-S59 WeakPolarHBondContact O-CB 3.42Å; S56-S59 PolarHBondContact O-N 2.94Å; S56-S59 PolarHBondContact O-OG 3.44Å; S56-S59 PolarHBondContact OG-N 3.41Å; S56-S59 VanDerWaalsContact OG-N 3.16Å; S56-S59 PolarHBondContact OG-OG 3.33Å
57	A	65	Low	67.9	Low	96 Å²	96	87.2 Å²	87.2	79%	0.793	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-56.8	-26.5	171.2	0	0	0	0	0	112.3	S59 G60	A57-S59 VanDerWaalsContact C-N 3.3Å; A57-S59 PolarHBondContact O-N 2.88Å; A57-G60 PolarHBondContact O-N 2.75Å
58	L	61.9	Low	65.2	Low	128 Å²	128	93.3 Å²	93.3	67%	0.67	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-68.3	-26.2	174.1	-65.3	173.2	0	0	0	113	S56 G60 L61 S62	S56-L58 PolarHBondContact O-N 3.05Å; S56-L58 VanDerWaalsContact O-N 3.1Å; S56-L58 PolarHBondContact OG-N 2.76Å; L58-G60 PolarHBondContact O-N 3.23Å; L58-L61 HydrophobicContact CD2-CD1 3.97Å; L58-L61 WeakPolarHBondContact O-CB 3.28Å; L58-L61 PolarHBondContact O-N 2.95Å; L58-S62 PolarHBondContact O-N 3.38Å
59	S	56.4	Low	62.6	Low	61 Å²	61	97.1 Å²	97.1	43%	0.427	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-64.5	-26.5	175.4	-55.6	0	0	0	0	111.9	S56 A57 L61 S62	S56-S59 WeakPolarHBondContact O-CB 3.42Å; S56-S59 PolarHBondContact O-N 2.94Å; S56-S59 PolarHBondContact O-OG 3.44Å; S56-S59 PolarHBondContact OG-N 3.41Å; S56-S59 VanDerWaalsContact OG-N 3.16Å; S56-S59 PolarHBondContact OG-OG 3.33Å; A57-S59 VanDerWaalsContact C-N 3.3Å; A57-S59 PolarHBondContact O-N 2.88Å; S59-L61 VanDerWaalsContact C-N 3.35Å; S59-S62 PolarHBondContact O-OG 2.89Å
60	G	55	Low	60.5	Low	73 Å²	73	106.9 Å²	106.9	75%	0.753	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-77.9	-14.7	172.4	0	0	0	0	0	114.6	A57 L58	A57-G60 PolarHBondContact O-N 2.75Å; L58-G60 PolarHBondContact O-N 3.23Å
61	L	57.9	Low	58.3	Low	136 Å²	136	112.6 Å²	112.6	71%	0.712	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-20.3	178	-81.1	154.1	0	0	0	112.8	L58 S59 S63	L58-L61 HydrophobicContact CD2-CD1 3.97Å; L58-L61 WeakPolarHBondContact O-CB 3.28Å; L58-L61 PolarHBondContact O-N 2.95Å; S59-L61 VanDerWaalsContact C-N 3.35Å; L61-S63 PolarHBondContact O-N 2.91Å; L61-S63 VanDerWaalsContact O-N 3.08Å
62	S	55	Low	56.6	Low	62 Å²	62	111.5 Å²	111.5	43%	0.434	63%	0.629	S	S	.	*	S	Bend	trans	-68.8	105.3	168.4	45	0	0	0	0	109.1	L58 S59 Q64	L58-S62 PolarHBondContact O-N 3.38Å; S59-S62 PolarHBondContact O-OG 2.89Å; S62-Q64 PolarHBondContact O-N 3.31Å
63	S	51.7	Low	55.4	Low	123 Å²	123	118.7 Å²	118.7	86%	0.86	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	24.5	-175	63.4	0	0	0	0	115.6	L61	L61-S63 PolarHBondContact O-N 2.91Å; L61-S63 VanDerWaalsContact O-N 3.08Å
64	Q	47.9	Very low	55	Low	175 Å²	175	120.9 Å²	120.9	82%	0.818	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	14.9	-178.2	-68.6	-165.1	91.6	0	0	114.2	S62	S62-Q64 PolarHBondContact O-N 3.31Å
65	Y	46	Very low	55.3	Low	190 Å²	190	121.3 Å²	121.3	75%	0.745	66%	0.661	S	S	*	*			trans	-122.9	96.5	164.3	-77.2	-85.2	0	0	0	109.6	S67	Y65-S67 PolarHBondContact O-N 2.83Å
66	E	43.2	Very low	56	Low	184 Å²	184	121.4 Å²	121.4	86%	0.86	66%	0.657	S	S	*	*			trans	-51.8	116.8	164.6	-70	177.1	155.7	0	0	109	M68	E66-M68 PolarHBondContact O-N 3.23Å
67	S	43.2	Very low	57	Low	113 Å²	113	119.3 Å²	119.3	79%	0.79	64%	0.643	S	S	*	*			trans	38.6	68.1	153.3	48.2	0	0	0	0	115.7	Y65	Y65-S67 PolarHBondContact O-N 2.83Å
68	M	40.4	Very low	58.2	Low	130 Å²	130	121.4 Å²	121.4	64%	0.64	64%	0.636	S	S	*	*			trans	-72.2	126.8	158.7	-70	-135.8	94.3	0	0	108.3	E66 D72	E66-M68 PolarHBondContact O-N 3.23Å; M68-D72 WeakPolarHBondContact CB-OD1 3.48Å
69	P	42.1	Very low	59.6	Low	96 Å²	96	122 Å²	122	62%	0.623	63%	0.633	S	S	*	*			trans	-58.9	147	178.8	22.3	-30.6	0	0	0	109.9	N71	P69-N71 CarbonylContact O-C 3.56Å; P69-N71 PolarHBondContact O-N 3.43Å
70	F	50.2	Low	61.3	Low	222 Å²	222	122.1 Å²	122.1	97%	0.974	63%	0.629	S	S	*	*	S	Bend	trans	-52.6	11.2	-177.6	-162.3	-101.3	0	0	0	116.5
71	N	47.6	Very low	63.2	Low	122 Å²	122	119.8 Å²	119.8	65%	0.652	60%	0.598	S	S	*	*			trans	-106.5	55.7	170.1	-158.4	19.8	0	0	0	109.7	P69 K73	P69-N71 CarbonylContact O-C 3.56Å; P69-N71 PolarHBondContact O-N 3.43Å; N71-K73 PolarHBondContact O-N 2.89Å
72	D	51.8	Low	65	Low	83 Å²	83	116.3 Å²	116.3	44%	0.444	58%	0.581	S	S	.	*			trans	-76.3	83.1	177.6	-78.8	-24.6	0	0	0	110.3	P55 M68 Y74	P55-D72 HydrophobicContact CG-CB 3.96Å; M68-D72 WeakPolarHBondContact CB-OD1 3.48Å; D72-Y74 PolarHBondContact O-N 2.93Å
73	K	63.8	Low	66.9	Low	165 Å²	165	119.2 Å²	119.2	72%	0.717	59%	0.586	S	S	*	*			trans	-43.6	127.5	170.5	-65.9	162.5	-174.7	176.1	0	110.2	N71 H75	N71-K73 PolarHBondContact O-N 2.89Å; K73-H75 PolarHBondContact O-N 3.37Å
74	Y	70.5	Confident	68.9	Low	138 Å²	138	113.4 Å²	113.4	54%	0.541	55%	0.545	S	S	.	.			trans	-33.4	122.4	161.5	-65.3	-73.6	0	0	0	112	P52 L54 D72 T110	P52-Y74 HydrophobicContact CB-CD1 3.94Å; P52-Y74 HydrophobicContact CB-CG 4.17Å; P52-Y74 HydrophobicContact CG-CD1 3.51Å; P52-Y74 HydrophobicContact CG-CE1 4.24Å; P52-Y74 HydrophobicContact CG-CG 3.98Å; L54-Y74 HydrophobicContact CD2-CD1 3.96Å; L54-Y74 HydrophobicContact CD2-CE1 3.49Å; L54-Y74 VanDerWaalsContact CD2-CE1 3.49Å; D72-Y74 PolarHBondContact O-N 2.93Å; Y74-T110 HydrophobicContact CD1-CG2 3.98Å; Y74-T110 HydrophobicContact CE1-CG2 3.34Å
75	H	80	Confident	71.3	Confident	122 Å²	122	110.9 Å²	110.9	57%	0.565	53%	0.528	S	S	*	.	B	Isolated β-bridge	trans	-86.7	116.8	170.9	-176.7	72	0	0	0	109.3	I53 K73 S77	I53-H75 PolarHBondContact N-O 3.5Å; I53-H75 PolarHBondContact O-N 3.49Å; K73-H75 PolarHBondContact O-N 3.37Å; H75-S77 PolarHBondContact O-N 3.14Å
76	I	81.7	Confident	73.7	Confident	72 Å²	72	106.5 Å²	106.5	37%	0.369	52%	0.517	S	S	.	.			trans	-80.7	112.7	172.8	-58.6	168	0	0	0	107.3	E78 M81 V108	I76-E78 PolarHBondContact O-N 2.8Å; I76-M81 HydrophobicContact CG2-CB 4.33Å; I76-M81 HydrophobicContact CG2-CE 3.54Å; I76-V108 HydrophobicContact CD1-CB 4.48Å; I76-V108 HydrophobicContact CD1-CG1 4.03Å; I76-V108 HydrophobicContact CD1-CG2 4.03Å; I76-V108 HydrophobicContact CG1-CG1 3.89Å; I76-V108 HydrophobicContact CG1-CG2 4.43Å; I76-V108 HydrophobicContact CG2-CG2 4.47Å
77	S	86.1	Confident	76.2	Confident	15 Å²	15	98.3 Å²	98.3	11%	0.105	48%	0.479	C	S	.	.			trans	-58.7	110.8	173.9	168.4	0	0	0	0	110.1	H75 K79 N80 M81	H75-S77 PolarHBondContact O-N 3.14Å; S77-K79 PolarHBondContact O-N 3.02Å; S77-N80 PolarHBondContact O-N 3.27Å; S77-N80 PolarHBondContact OG-N 3.46Å; S77-N80 VanDerWaalsContact OG-N 3.13Å; S77-M81 PolarHBondContact O-N 2.89Å
78	E	90.3	Very high	78.8	Confident	139 Å²	139	93.3 Å²	93.3	65%	0.65	44%	0.444	S	S	*	.	H	α-helix	trans	-56.6	-36.6	176.2	-172.6	-179.7	-174.4	0	0	111.1	I76 N80 M81 N82	I76-E78 PolarHBondContact O-N 2.8Å; E78-N80 PolarHBondContact O-N 2.79Å; E78-M81 PolarHBondContact O-N 2.99Å; E78-N82 WeakPolarHBondContact O-CB 3.5Å; E78-N82 VanDerWaalsContact O-CG 3.26Å; E78-N82 PolarHBondContact O-N 3.09Å; E78-N82 PolarHBondContact O-ND2 3.13Å
79	K	91.7	Very high	81.5	Confident	141 Å²	141	93.3 Å²	93.3	61%	0.613	44%	0.442	S	S	*	.	H	α-helix	trans	-59.2	-46.9	173.1	-178.1	-178.5	-178.5	178.3	0	112.1	S77 K83	S77-K79 PolarHBondContact O-N 3.02Å; K79-K83 WeakPolarHBondContact O-CG 3.29Å; K79-K83 PolarHBondContact O-N 2.78Å
80	N	91.5	Very high	84.2	Confident	63 Å²	63	93.6 Å²	93.6	34%	0.337	44%	0.435	S	S	.	.	H	α-helix	trans	-69.9	-38.8	179.7	-67.1	-7.7	0	0	0	110.9	V50 S77 E78 K83 A84	V50-N80 HydrophobicContact CG1-CB 3.94Å; S77-N80 PolarHBondContact O-N 3.27Å; S77-N80 PolarHBondContact OG-N 3.46Å; S77-N80 VanDerWaalsContact OG-N 3.13Å; E78-N80 PolarHBondContact O-N 2.79Å; N80-K83 PolarHBondContact O-N 3.3Å; N80-A84 WeakPolarHBondContact O-CB 3.36Å; N80-A84 PolarHBondContact O-N 2.81Å
81	M	93.9	Very high	86.4	Confident	24 Å²	24	83 Å²	83	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-44.5	175.3	-174.8	59.3	64.9	0	0	111.9	V50 I76 S77 E78 A84 R85 I106 V108	V50-M81 HydrophobicContact CG2-CE 4.36Å; I76-M81 HydrophobicContact CG2-CB 4.33Å; I76-M81 HydrophobicContact CG2-CE 3.54Å; S77-M81 PolarHBondContact O-N 2.89Å; E78-M81 PolarHBondContact O-N 2.99Å; M81-A84 WeakPolarHBondContact O-CB 3.43Å; M81-A84 PolarHBondContact O-N 3.28Å; M81-R85 VanDerWaalsContact CG-CZ 3.49Å; M81-R85 WeakPolarHBondContact O-CG 3.23Å; M81-R85 PolarHBondContact O-N 3.44Å; M81-I106 HydrophobicContact CE-CG2 4.3Å; M81-I106 HydrophobicContact SD-CG2 3.85Å; M81-V108 HydrophobicContact CE-CG2 3.57Å
82	N	95.8	Very high	88.8	Confident	63 Å²	63	79.5 Å²	79.5	34%	0.337	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-39.9	177.5	-72.3	-19.1	0	0	0	111.9	E78 A84 R85 L86	E78-N82 WeakPolarHBondContact O-CB 3.5Å; E78-N82 VanDerWaalsContact O-CG 3.26Å; E78-N82 PolarHBondContact O-N 3.09Å; E78-N82 PolarHBondContact O-ND2 3.13Å; N82-A84 VanDerWaalsContact C-N 3.34Å; N82-A84 PolarHBondContact O-N 3Å; N82-R85 PolarHBondContact O-N 2.88Å; N82-R85 PolarHBondContact OD1-NH1 3.36Å; N82-L86 WeakPolarHBondContact O-CG 3.47Å; N82-L86 PolarHBondContact O-N 3.47Å
83	K	94.7	Very high	91	Very high	124 Å²	124	81.3 Å²	81.3	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-44.4	171.5	-76.4	179.9	172.9	-163.3	0	112.2	K79 N80 R85 L86 L87	K79-K83 WeakPolarHBondContact O-CG 3.29Å; K79-K83 PolarHBondContact O-N 2.78Å; N80-K83 PolarHBondContact O-N 3.3Å; K83-R85 VanDerWaalsContact C-N 3.34Å; K83-R85 PolarHBondContact O-N 2.79Å; K83-L86 PolarHBondContact O-N 2.94Å; K83-L87 WeakPolarHBondContact O-CB 3.33Å; K83-L87 PolarHBondContact O-N 3.2Å
84	A	95.5	Very high	92.6	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-43	177.3	0	0	0	0	0	111.8	H48 V50 N80 M81 N82 C88 I106	H48-A84 HydrophobicContact CB-CB 4.43Å; H48-A84 WeakPolarHBondContact CD2-CB 3.35Å; V50-A84 HydrophobicContact CG2-CB 3.66Å; N80-A84 WeakPolarHBondContact O-CB 3.36Å; N80-A84 PolarHBondContact O-N 2.81Å; M81-A84 WeakPolarHBondContact O-CB 3.43Å; M81-A84 PolarHBondContact O-N 3.28Å; N82-A84 VanDerWaalsContact C-N 3.34Å; N82-A84 PolarHBondContact O-N 3Å; A84-C88 WeakPolarHBondContact O-CB 3.22Å; A84-C88 PolarHBondContact O-N 2.97Å; A84-C88 PolarHBondContact O-SG 3.29Å; A84-I106 HydrophobicContact CB-CD1 3.92Å; A84-I106 HydrophobicContact CB-CG1 4.3Å; A84-I106 HydrophobicContact CB-CG2 4.25Å
85	R	97.2	Very high	93.8	Very high	123 Å²	123	68.3 Å²	68.3	46%	0.464	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-48	176.3	-72.4	173.9	-176.4	142	-3.1	112.4	M81 N82 K83 C88 Q89 I106	M81-R85 VanDerWaalsContact CG-CZ 3.49Å; M81-R85 WeakPolarHBondContact O-CG 3.23Å; M81-R85 PolarHBondContact O-N 3.44Å; N82-R85 PolarHBondContact O-N 2.88Å; N82-R85 PolarHBondContact OD1-NH1 3.36Å; K83-R85 VanDerWaalsContact C-N 3.34Å; K83-R85 PolarHBondContact O-N 2.79Å; R85-C88 PolarHBondContact O-N 3.41Å; R85-Q89 WeakPolarHBondContact O-CG 3.48Å; R85-Q89 PolarHBondContact O-N 3.08Å; R85-I106 HydrophobicContact CB-CD1 4.26Å; R85-I106 HydrophobicContact CG-CD1 3.56Å
86	L	97.1	Very high	94.6	Very high	97 Å²	97	67.8 Å²	67.8	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-48.1	178.3	-70	171.2	0	0	0	111	N82 K83 C88 Q89 E90	N82-L86 WeakPolarHBondContact O-CG 3.47Å; N82-L86 PolarHBondContact O-N 3.47Å; K83-L86 PolarHBondContact O-N 2.94Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-C88 PolarHBondContact O-N 3.44Å; L86-Q89 PolarHBondContact O-N 3.22Å; L86-E90 WeakPolarHBondContact O-CG 3.34Å; L86-E90 PolarHBondContact O-N 3.05Å
87	L	96	Very high	95.3	Very high	12 Å²	12	70 Å²	70	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-46.8	175.8	177.3	64.6	0	0	0	111.8	V20 Y21 K83 Q89 E90 L91	V20-L87 HydrophobicContact CB-CD2 4.45Å; V20-L87 HydrophobicContact CG2-CD2 4.27Å; Y21-L87 WeakPolarHBondContact O-CD2 3.39Å; K83-L87 WeakPolarHBondContact O-CB 3.33Å; K83-L87 PolarHBondContact O-N 3.2Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.16Å; L87-E90 PolarHBondContact O-N 3.26Å; L87-L91 HydrophobicContact CD1-CD1 3.9Å; L87-L91 HydrophobicContact CD1-CG 4.1Å; L87-L91 HydrophobicContact CG-CD1 3.91Å; L87-L91 HydrophobicContact CG-CG 4.46Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.17Å
88	C	97.3	Very high	95.7	Very high	9 Å²	9	73.4 Å²	73.4	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-40.7	179	-73.1	0	0	0	0	112.3	A84 R85 L86 V92 A104	A84-C88 WeakPolarHBondContact O-CB 3.22Å; A84-C88 PolarHBondContact O-N 2.97Å; A84-C88 PolarHBondContact O-SG 3.29Å; R85-C88 PolarHBondContact O-N 3.41Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-C88 PolarHBondContact O-N 3.44Å; C88-V92 WeakPolarHBondContact O-CG2 3.42Å; C88-V92 PolarHBondContact O-N 2.87Å; C88-V92 VanDerWaalsContact O-N 3.09Å; C88-A104 HydrophobicContact CB-CB 3.54Å
89	Q	97.3	Very high	95.9	Very high	130 Å²	130	69.3 Å²	69.3	61%	0.607	34%	0.343	S	S	*	.	H	α-helix	trans	-65.3	-45.1	176.5	-72.7	174	-12.3	0	0	111.8	R85 L86 L87 L91 V92 H93	R85-Q89 WeakPolarHBondContact O-CG 3.48Å; R85-Q89 PolarHBondContact O-N 3.08Å; L86-Q89 PolarHBondContact O-N 3.22Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.16Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.49Å; Q89-V92 PolarHBondContact O-N 2.87Å; Q89-H93 WeakPolarHBondContact O-CB 3.43Å; Q89-H93 PolarHBondContact O-N 3.35Å
90	E	97.3	Very high	96.1	Very high	102 Å²	102	63 Å²	63	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-57.4	-45.9	176.3	-73.2	169.9	-171.8	0	0	111.3	L86 L87 H93 E94	L86-E90 WeakPolarHBondContact O-CG 3.34Å; L86-E90 PolarHBondContact O-N 3.05Å; L87-E90 PolarHBondContact O-N 3.26Å; E90-H93 WeakPolarHBondContact O-CB 3.39Å; E90-H93 PolarHBondContact O-N 3.11Å; E90-E94 WeakPolarHBondContact O-CB 3.41Å; E90-E94 PolarHBondContact O-N 3.41Å
91	L	97.5	Very high	96.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-71.1	-38.3	-177.1	-66.8	173.4	0	0	0	113.8	V20 A26 I30 F46 L87 Q89 H93 E94 A95	V20-L91 HydrophobicContact CB-CD1 3.92Å; V20-L91 HydrophobicContact CG1-CD1 3.78Å; V20-L91 HydrophobicContact CG2-CD1 3.78Å; A26-L91 HydrophobicContact CB-CD1 3.64Å; A26-L91 HydrophobicContact CB-CD2 3.33Å; A26-L91 HydrophobicContact CB-CG 4.11Å; I30-L91 HydrophobicContact CD1-CD2 3.94Å; F46-L91 HydrophobicContact CD1-CB 4.32Å; F46-L91 HydrophobicContact CD1-CD1 4.14Å; F46-L91 HydrophobicContact CD2-CB 3.99Å; F46-L91 HydrophobicContact CE1-CB 4.34Å; F46-L91 HydrophobicContact CE2-CB 4Å; F46-L91 HydrophobicContact CG-CB 4.15Å; F46-L91 HydrophobicContact CG-CD1 4.32Å; F46-L91 HydrophobicContact CZ-CB 4.18Å; L87-L91 HydrophobicContact CD1-CD1 3.9Å; L87-L91 HydrophobicContact CD1-CG 4.1Å; L87-L91 HydrophobicContact CG-CD1 3.91Å; L87-L91 HydrophobicContact CG-CG 4.46Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.17Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L91 PolarHBondContact O-N 3.49Å; L91-H93 VanDerWaalsContact C-N 3.31Å; L91-E94 PolarHBondContact O-N 2.95Å; L91-A95 VanDerWaalsContact O-CB 3.24Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 2.97Å
92	V	97.9	Very high	96.5	Very high	47 Å²	47	63.9 Å²	63.9	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-64.8	-40.8	173.4	171.1	0	0	0	0	110.3	F46 C88 Q89 N96 A104	F46-V92 HydrophobicContact CD2-CG2 4.27Å; C88-V92 WeakPolarHBondContact O-CG2 3.42Å; C88-V92 PolarHBondContact O-N 2.87Å; C88-V92 VanDerWaalsContact O-N 3.09Å; Q89-V92 PolarHBondContact O-N 2.87Å; V92-N96 WeakPolarHBondContact O-CB 3.47Å; V92-N96 PolarHBondContact O-N 3.12Å; V92-A104 HydrophobicContact CG2-CB 3.8Å
93	H	97.7	Very high	96.6	Very high	122 Å²	122	65.9 Å²	65.9	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-62.9	-46.6	175.1	-178.6	73.5	0	0	0	111.7	Q89 E90 L91 N96 I97	Q89-H93 WeakPolarHBondContact O-CB 3.43Å; Q89-H93 PolarHBondContact O-N 3.35Å; E90-H93 WeakPolarHBondContact O-CB 3.39Å; E90-H93 PolarHBondContact O-N 3.11Å; L91-H93 VanDerWaalsContact C-N 3.31Å; H93-N96 WeakPolarHBondContact O-CB 3.38Å; H93-N96 PolarHBondContact O-N 3.31Å; H93-I97 PolarHBondContact O-N 3.3Å
94	E	96.9	Very high	96.8	Very high	30 Å²	30	61.9 Å²	61.9	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-46.2	178.2	-167	-164.6	138.4	0	0	111.9	H27 I30 E90 L91 N96 I97 Y98	H27-E94 IonicContact CE1-OE1 3.51Å; H27-E94 IonicContact CG-OE1 3.63Å; H27-E94 VanDerWaalsContact ND1-CD 3.34Å; H27-E94 IonicContact ND1-OE1 2.65Å; H27-E94 PolarHBondContact ND1-OE1 3.11Å; H27-E94 IonicContact ND1-OE2 3.6Å; I30-E94 HydrophobicContact CD1-CB 4.4Å; I30-E94 HydrophobicContact CD1-CG 4.39Å; E90-E94 WeakPolarHBondContact O-CB 3.41Å; E90-E94 PolarHBondContact O-N 3.41Å; L91-E94 PolarHBondContact O-N 2.95Å; E94-N96 PolarHBondContact O-N 2.95Å; E94-I97 WeakPolarHBondContact O-CB 3.45Å; E94-I97 PolarHBondContact O-N 3.36Å; E94-Y98 HydrophobicContact CG-CD2 4.46Å; E94-Y98 HydrophobicContact CG-CE2 4.13Å; E94-Y98 VanDerWaalsContact O-CD2 3.31Å; E94-Y98 WeakPolarHBondContact O-CD2 3.33Å; E94-Y98 PolarHBondContact O-N 2.92Å
95	A	96.9	Very high	96.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-36.8	176.3	0	0	0	0	0	111.9	F46 L91 I97 Y98 G99 I100 S102	F46-A95 HydrophobicContact CE2-CB 3.93Å; F46-A95 HydrophobicContact CZ-CB 4.04Å; L91-A95 VanDerWaalsContact O-CB 3.24Å; L91-A95 WeakPolarHBondContact O-CB 3.31Å; L91-A95 PolarHBondContact O-N 2.97Å; A95-I97 PolarHBondContact O-N 3.3Å; A95-Y98 CarbonylContact O-C 3.55Å; A95-Y98 PolarHBondContact O-N 2.89Å; A95-Y98 VanDerWaalsContact O-N 3.16Å; A95-G99 PolarHBondContact O-N 3.25Å; A95-I100 HydrophobicContact CB-CB 4.12Å; A95-I100 HydrophobicContact CB-CD1 4.37Å; A95-I100 VanDerWaalsContact O-CB 3.28Å; A95-I100 WeakPolarHBondContact O-CB 3.49Å; A95-I100 PolarHBondContact O-N 2.78Å; A95-S102 VanDerWaalsContact CB-OG 3.31Å; A95-S102 WeakPolarHBondContact CB-OG 3.4Å
96	N	96.5	Very high	96.9	Very high	111 Å²	111	61.2 Å²	61.2	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-37.4	174.8	-171.5	25.8	0	0	0	112.4	V92 H93 E94 Y98 G99	V92-N96 WeakPolarHBondContact O-CB 3.47Å; V92-N96 PolarHBondContact O-N 3.12Å; H93-N96 WeakPolarHBondContact O-CB 3.38Å; H93-N96 PolarHBondContact O-N 3.31Å; E94-N96 PolarHBondContact O-N 2.95Å; N96-Y98 PolarHBondContact O-N 3.15Å; N96-G99 WeakPolarHBondContact O-CA 3.21Å; N96-G99 PolarHBondContact O-N 3.2Å
97	I	96	Very high	96.8	Very high	119 Å²	119	58.2 Å²	58.2	61%	0.61	30%	0.303	S	S	*	.	H	α-helix	trans	-58.2	-35.9	173.8	-64.4	169.9	0	0	0	110.9	H93 E94 A95 G99	H93-I97 PolarHBondContact O-N 3.3Å; E94-I97 WeakPolarHBondContact O-CB 3.45Å; E94-I97 PolarHBondContact O-N 3.36Å; A95-I97 PolarHBondContact O-N 3.3Å; I97-G99 VanDerWaalsContact C-N 3.26Å; I97-G99 PolarHBondContact O-N 2.89Å
98	Y	94.6	Very high	96.7	Very high	85 Å²	85	60.6 Å²	60.6	33%	0.333	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	8.6	175	-69	-73.8	0	0	0	114.2	I30 I31 V34 K38 E94 A95 N96 I100	I30-Y98 HydrophobicContact CG2-CD2 3.75Å; I30-Y98 HydrophobicContact CG2-CE2 4.17Å; I30-Y98 HydrophobicContact CG2-CG 4.45Å; I31-Y98 HydrophobicContact CD1-CE1 3.91Å; I31-Y98 HydrophobicContact CD1-CE2 3.95Å; I31-Y98 VanDerWaalsContact CD1-CZ 3.41Å; I31-Y98 WeakPolarHBondContact CD1-OH 3.38Å; V34-Y98 HydrophobicContact CG2-CD1 4.25Å; V34-Y98 HydrophobicContact CG2-CG 4.15Å; K38-Y98 PolarHBondContact NZ-O 3.25Å; E94-Y98 HydrophobicContact CG-CD2 4.46Å; E94-Y98 HydrophobicContact CG-CE2 4.13Å; E94-Y98 VanDerWaalsContact O-CD2 3.31Å; E94-Y98 WeakPolarHBondContact O-CD2 3.33Å; E94-Y98 PolarHBondContact O-N 2.92Å; A95-Y98 CarbonylContact O-C 3.55Å; A95-Y98 PolarHBondContact O-N 2.89Å; A95-Y98 VanDerWaalsContact O-N 3.16Å; N96-Y98 PolarHBondContact O-N 3.15Å; Y98-I100 VanDerWaalsContact C-N 3.33Å; Y98-I100 PolarHBondContact O-N 3.34Å
99	G	94.6	Very high	96.5	Very high	53 Å²	53	62.7 Å²	62.7	55%	0.546	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	42.2	-177.7	0	0	0	0	0	112.2	K38 A95 N96 I97	K38-G99 PolarHBondContact NZ-O 2.62Å; A95-G99 PolarHBondContact O-N 3.25Å; N96-G99 WeakPolarHBondContact O-CA 3.21Å; N96-G99 PolarHBondContact O-N 3.2Å; I97-G99 VanDerWaalsContact C-N 3.26Å; I97-G99 PolarHBondContact O-N 2.89Å
100	I	95.8	Very high	96.1	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	31%	0.314	C	S	.	.			trans	-109.1	124.7	179.6	-54.1	165.4	0	0	0	108.3	I30 Y33 V34 I44 A95 Y98 S102	I30-I100 HydrophobicContact CG2-CD1 4.03Å; Y33-I100 HydrophobicContact CD1-CD1 3.93Å; Y33-I100 HydrophobicContact CE1-CD1 3.81Å; Y33-I100 HydrophobicContact CE1-CG1 4.04Å; Y33-I100 HydrophobicContact CE1-CG2 3.89Å; V34-I100 HydrophobicContact CG2-CD1 3.59Å; V34-I100 HydrophobicContact CG2-CG1 4.35Å; I44-I100 HydrophobicContact CB-CG2 4.17Å; I44-I100 HydrophobicContact CG1-CG2 3.46Å; I44-I100 VanDerWaalsContact CG1-CG2 3.46Å; A95-I100 HydrophobicContact CB-CB 4.12Å; A95-I100 HydrophobicContact CB-CD1 4.37Å; A95-I100 VanDerWaalsContact O-CB 3.28Å; A95-I100 WeakPolarHBondContact O-CB 3.49Å; A95-I100 PolarHBondContact O-N 2.78Å; Y98-I100 VanDerWaalsContact C-N 3.33Å; Y98-I100 PolarHBondContact O-N 3.34Å; I100-S102 PolarHBondContact O-N 3.29Å
101	K	96.8	Very high	95.8	Very high	87 Å²	87	60.3 Å²	60.3	38%	0.378	32%	0.319	S	S	.	.			trans	-68	121.7	168.1	-168.6	174.9	-177.7	168.5	0	108.1	N10 I12 L43 I44	N10-K101 PolarHBondContact O-NZ 3.18Å; N10-K101 PolarHBondContact OD1-NZ 2.99Å; I12-K101 HydrophobicContact CG1-CD 4.35Å; L43-K101 HydrophobicContact CD1-CB 4.49Å; L43-K101 HydrophobicContact CD1-CG 3.92Å; I44-K101 PolarHBondContact N-O 2.94Å
102	S	97.9	Very high	95.6	Very high	19 Å²	19	61.3 Å²	61.3	13%	0.133	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.2	-176.6	65.5	0	0	0	0	112.9	I44 A95 I100	I44-S102 CarbonylContact O-C 3.56Å; I44-S102 WeakPolarHBondContact O-CA 3.15Å; I44-S102 WeakPolarHBondContact O-CB 3.5Å; A95-S102 VanDerWaalsContact CB-OG 3.31Å; A95-S102 WeakPolarHBondContact CB-OG 3.4Å; I100-S102 PolarHBondContact O-N 3.29Å
103	E	97.9	Very high	95.4	Very high	105 Å²	105	59.3 Å²	59.3	49%	0.491	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.3	174	-69.5	173.5	-161.2	0	0	109	L43 I44 I45 F46	L43-E103 HydrophobicContact CD1-CG 4.16Å; I44-E103 PolarHBondContact O-N 2.81Å; I45-E103 WeakPolarHBondContact CA-O 3.46Å; F46-E103 PolarHBondContact N-O 3.36Å
104	A	98	Very high	95.3	Very high	40 Å²	40	55.7 Å²	55.7	33%	0.331	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.8	177.6	0	0	0	0	0	111.7	F46 C88 V92	F46-A104 HydrophobicContact CB-CB 4.17Å; F46-A104 CarbonylContact O-C 3.57Å; F46-A104 WeakPolarHBondContact O-CA 3.39Å; C88-A104 HydrophobicContact CB-CB 3.54Å; V92-A104 HydrophobicContact CG2-CB 3.8Å
105	M	97.8	Very high	95.2	Very high	51 Å²	51	54.3 Å²	54.3	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.5	-179.6	-62.7	-178.3	71.9	0	0	109.6	I45 F46 L47 H48 Q123	I45-M105 HydrophobicContact CG2-CG 4Å; I45-M105 HydrophobicContact CG2-SD 3.77Å; F46-M105 PolarHBondContact O-N 2.86Å; L47-M105 WeakPolarHBondContact CA-O 3.24Å; L47-M105 HydrophobicContact CD1-CB 4.12Å; H48-M105 PolarHBondContact N-O 3.48Å; M105-Q123 HydrophobicContact CE-CG 4.29Å; M105-Q123 HydrophobicContact SD-CG 4.02Å
106	I	97.3	Very high	95.2	Very high	57 Å²	57	54.5 Å²	54.5	29%	0.292	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.1	171.5	-59.4	172	0	0	0	107.7	H48 V50 M81 A84 R85	H48-I106 WeakPolarHBondContact O-CA 3.31Å; V50-I106 HydrophobicContact CG2-CG2 3.79Å; M81-I106 HydrophobicContact CE-CG2 4.3Å; M81-I106 HydrophobicContact SD-CG2 3.85Å; A84-I106 HydrophobicContact CB-CD1 3.92Å; A84-I106 HydrophobicContact CB-CG1 4.3Å; A84-I106 HydrophobicContact CB-CG2 4.25Å; R85-I106 HydrophobicContact CB-CD1 4.26Å; R85-I106 HydrophobicContact CG-CD1 3.56Å
107	Q	95.5	Very high	95.3	Very high	35 Å²	35	50.3 Å²	50.3	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.9	172.8	-72.5	-175.8	-3.2	0	0	110.3	L47 H48 V49 V50 A115 T119	L47-Q107 HydrophobicContact CD1-CB 4.2Å; L47-Q107 HydrophobicContact CD1-CG 3.8Å; H48-Q107 PolarHBondContact O-N 2.94Å; V49-Q107 CarbonylContact C-O 3.57Å; V49-Q107 WeakPolarHBondContact CA-O 3.35Å; V50-Q107 PolarHBondContact N-O 2.94Å; Q107-A115 PolarHBondContact OE1-O 2.94Å; Q107-T119 VanDerWaalsContact CD-OG1 3.29Å; Q107-T119 PolarHBondContact NE2-OG1 3.04Å; Q107-T119 PolarHBondContact OE1-OG1 2.96Å; Q107-T119 VanDerWaalsContact OE1-OG1 3.13Å
108	V	93.8	Very high	95.4	Very high	61 Å²	61	49.9 Å²	49.9	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.8	172.4	178.8	0	0	0	0	107.6	V50 P52 I76 M81	V50-V108 HydrophobicContact CB-CG2 4.42Å; V50-V108 WeakPolarHBondContact O-CA 3.31Å; P52-V108 HydrophobicContact CB-CG1 4.32Å; P52-V108 HydrophobicContact CG-CG1 4.33Å; I76-V108 HydrophobicContact CD1-CB 4.48Å; I76-V108 HydrophobicContact CD1-CG1 4.03Å; I76-V108 HydrophobicContact CD1-CG2 4.03Å; I76-V108 HydrophobicContact CG1-CG1 3.89Å; I76-V108 HydrophobicContact CG1-CG2 4.43Å; I76-V108 HydrophobicContact CG2-CG2 4.47Å; M81-V108 HydrophobicContact CE-CG2 3.57Å
109	D	92	Very high	95.6	Very high	54 Å²	54	45.9 Å²	45.9	29%	0.289	25%	0.251	S	S	.	.			trans	-152.5	149.5	178.9	-157.2	-60.4	0	0	0	110.1	V49 V50 E51 P52 K111 A115	V49-D109 HydrophobicContact CG1-CB 4.07Å; V50-D109 PolarHBondContact O-N 3.12Å; E51-D109 WeakPolarHBondContact CA-O 3.43Å; P52-D109 WeakPolarHBondContact CD-O 3.17Å; D109-K111 VanDerWaalsContact C-N 3.28Å; D109-K111 PolarHBondContact OD1-N 3.5Å; D109-A115 HydrophobicContact CB-CB 3.77Å
110	T	89.2	Confident	95.8	Very high	48 Å²	48	43.4 Å²	43.4	29%	0.294	23%	0.226	S	C	.	.	S	Bend	trans	-79.1	-12.1	174	56.6	0	0	0	0	113.3	P52 Y74	P52-T110 HydrophobicContact CG-CG2 3.71Å; Y74-T110 HydrophobicContact CD1-CG2 3.98Å; Y74-T110 HydrophobicContact CE1-CG2 3.34Å
111	K	91.2	Very high	95.9	Very high	133 Å²	133	46.6 Å²	46.6	58%	0.578	24%	0.243	S	C	*	.			trans	-131.7	90.5	-175.7	-59.3	-178.4	-176.7	174.7	0	109.9	D109 G113 P114 A115	D109-K111 VanDerWaalsContact C-N 3.28Å; D109-K111 PolarHBondContact OD1-N 3.5Å; K111-G113 VanDerWaalsContact C-N 3.3Å; K111-G113 PolarHBondContact O-N 3.45Å; K111-P114 HydrophobicContact CB-CB 4.25Å; K111-P114 HydrophobicContact CB-CG 3.71Å; K111-P114 HydrophobicContact CD-CG 4.3Å; K111-P114 VanDerWaalsContact O-CD 3.31Å; K111-P114 WeakPolarHBondContact O-CD 3.46Å; K111-A115 PolarHBondContact O-N 3.33Å; K111-A115 VanDerWaalsContact O-N 3.08Å
112	P	92.7	Very high	96	Very high	21 Å²	21	47.2 Å²	47.2	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-36.9	-177.5	-27.5	34.7	0	0	0	114.7	V49 E51 A115 I116 V146	V49-P112 HydrophobicContact CB-CB 4.25Å; V49-P112 HydrophobicContact CG1-CB 4.23Å; V49-P112 HydrophobicContact CG1-CG 4.24Å; E51-P112 HydrophobicContact CG-CG 3.86Å; P112-A115 PolarHBondContact O-N 3.06Å; P112-I116 WeakPolarHBondContact O-CB 3.04Å; P112-I116 WeakPolarHBondContact O-CD1 3.48Å; P112-I116 WeakPolarHBondContact O-CG1 3.28Å; P112-I116 PolarHBondContact O-N 3.01Å; P112-V146 HydrophobicContact CB-CG1 4.18Å; P112-V146 HydrophobicContact CB-CG2 3.96Å
113	G	93.7	Very high	95.9	Very high	5 Å²	5	49 Å²	49	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-60.5	177.3	0	0	0	0	0	112.8	K111 A115 I116 I117 Y149	K111-G113 VanDerWaalsContact C-N 3.3Å; K111-G113 PolarHBondContact O-N 3.45Å; G113-A115 VanDerWaalsContact C-N 3.3Å; G113-A115 PolarHBondContact O-N 3.24Å; G113-I116 PolarHBondContact O-N 2.78Å; G113-I117 PolarHBondContact O-N 2.81Å; G113-Y149 VanDerWaalsContact C-CE1 3.42Å; G113-Y149 VanDerWaalsContact CA-CD1 3.46Å
114	P	95.4	Very high	95.9	Very high	46 Å²	46	50.9 Å²	50.9	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-53.2	-41.2	172.5	-29.8	34.3	0	0	0	114.5	K111 I116 I117 K118 Y149	K111-P114 HydrophobicContact CB-CB 4.25Å; K111-P114 HydrophobicContact CB-CG 3.71Å; K111-P114 HydrophobicContact CD-CG 4.3Å; K111-P114 VanDerWaalsContact O-CD 3.31Å; K111-P114 WeakPolarHBondContact O-CD 3.46Å; P114-I116 PolarHBondContact O-N 3.09Å; P114-I117 PolarHBondContact O-N 3.42Å; P114-K118 WeakPolarHBondContact O-CB 3.26Å; P114-K118 PolarHBondContact O-N 2.99Å; P114-Y149 HydrophobicContact CB-CE1 4.48Å; P114-Y149 HydrophobicContact CG-CE1 3.91Å; P114-Y149 HydrophobicContact CG-CE2 4.38Å; P114-Y149 VanDerWaalsContact N-CE1 3.35Å
115	A	96.2	Very high	96	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-41.4	177.7	0	0	0	0	0	112.3	V49 Q107 D109 K111 P112 G113 K118 T119	V49-A115 HydrophobicContact CG1-CB 4.31Å; V49-A115 HydrophobicContact CG2-CB 4.19Å; Q107-A115 PolarHBondContact OE1-O 2.94Å; D109-A115 HydrophobicContact CB-CB 3.77Å; K111-A115 PolarHBondContact O-N 3.33Å; K111-A115 VanDerWaalsContact O-N 3.08Å; P112-A115 PolarHBondContact O-N 3.06Å; G113-A115 VanDerWaalsContact C-N 3.3Å; G113-A115 PolarHBondContact O-N 3.24Å; A115-K118 PolarHBondContact O-N 2.84Å; A115-T119 PolarHBondContact O-N 3.24Å; A115-T119 PolarHBondContact O-OG1 3Å
116	I	97.3	Very high	96	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-47.9	173.9	-69.1	161	0	0	0	110.7	L17 P19 L47 V49 P112 G113 P114 K118 T119 I120 I128 V146 V150	L17-I116 HydrophobicContact CD2-CG2 4.04Å; P19-I116 HydrophobicContact CB-CD1 3.81Å; P19-I116 HydrophobicContact CB-CG1 4.26Å; P19-I116 HydrophobicContact CG-CD1 3.93Å; P19-I116 HydrophobicContact CG-CG1 4.18Å; P19-I116 HydrophobicContact CG-CG2 4.14Å; L47-I116 HydrophobicContact CD2-CB 4.43Å; L47-I116 HydrophobicContact CD2-CG1 3.83Å; V49-I116 HydrophobicContact CG2-CG1 4.47Å; P112-I116 WeakPolarHBondContact O-CB 3.04Å; P112-I116 WeakPolarHBondContact O-CD1 3.48Å; P112-I116 WeakPolarHBondContact O-CG1 3.28Å; P112-I116 PolarHBondContact O-N 3.01Å; G113-I116 PolarHBondContact O-N 2.78Å; P114-I116 PolarHBondContact O-N 3.09Å; I116-K118 VanDerWaalsContact C-N 3.32Å; I116-K118 PolarHBondContact O-N 3.37Å; I116-T119 WeakPolarHBondContact O-CB 3.3Å; I116-T119 PolarHBondContact O-N 2.65Å; I116-T119 VanDerWaalsContact O-N 3.1Å; I116-I120 HydrophobicContact CG2-CD1 4.19Å; I116-I120 HydrophobicContact CG2-CG1 4.48Å; I116-I120 WeakPolarHBondContact O-CG1 3.46Å; I116-I120 PolarHBondContact O-N 3.26Å; I116-I128 HydrophobicContact CG2-CD1 3.61Å; I116-V146 HydrophobicContact CD1-CG1 3.45Å; I116-V146 VanDerWaalsContact CD1-CG1 3.45Å; I116-V150 HydrophobicContact CB-CG2 3.94Å; I116-V150 HydrophobicContact CD1-CG2 4.13Å; I116-V150 HydrophobicContact CG2-CG1 4.22Å; I116-V150 HydrophobicContact CG2-CG2 3.64Å
117	I	98	Very high	96	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-42.1	178.2	-65	-55.1	0	0	0	111.7	G113 P114 T119 I120 N121 Y149 V150 H153	G113-I117 PolarHBondContact O-N 2.81Å; P114-I117 PolarHBondContact O-N 3.42Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3Å; I117-I120 HydrophobicContact CD1-CD1 4Å; I117-I120 WeakPolarHBondContact O-CB 3.38Å; I117-I120 PolarHBondContact O-N 3.49Å; I117-N121 PolarHBondContact O-N 3.32Å; I117-N121 PolarHBondContact O-ND2 2.99Å; I117-Y149 HydrophobicContact CG1-CD1 4.2Å; I117-Y149 HydrophobicContact CG1-CE1 3.83Å; I117-V150 HydrophobicContact CD1-CB 4.4Å; I117-V150 HydrophobicContact CD1-CG1 4.12Å; I117-V150 HydrophobicContact CD1-CG2 4.37Å; I117-H153 HydrophobicContact CD1-CB 3.93Å; I117-H153 HydrophobicContact CG1-CB 3.91Å
118	K	98.1	Very high	96.1	Very high	111 Å²	111	47 Å²	47	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-45.8	174.4	-178.3	-179.7	171.9	-174.7	0	110.8	P114 A115 I116 I120 N121 E122	P114-K118 WeakPolarHBondContact O-CB 3.26Å; P114-K118 PolarHBondContact O-N 2.99Å; A115-K118 PolarHBondContact O-N 2.84Å; I116-K118 VanDerWaalsContact C-N 3.32Å; I116-K118 PolarHBondContact O-N 3.37Å; K118-I120 PolarHBondContact O-N 2.92Å; K118-N121 PolarHBondContact O-N 3.44Å; K118-E122 WeakPolarHBondContact CE-OE1 3.38Å; K118-E122 WeakPolarHBondContact CE-OE2 3.5Å; K118-E122 HydrophobicContact CG-CG 4.24Å; K118-E122 IonicContact NZ-OE1 3.73Å; K118-E122 WeakPolarHBondContact O-CB 3.37Å; K118-E122 WeakPolarHBondContact O-CG 3.33Å; K118-E122 PolarHBondContact O-N 3.11Å
119	T	98.3	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-41.2	177.7	-52.6	0	0	0	0	112.6	L17 L47 Q107 A115 I116 I117 N121 E122 Q123	L17-T119 HydrophobicContact CD1-CG2 4.23Å; L17-T119 HydrophobicContact CD2-CG2 4.42Å; L47-T119 HydrophobicContact CD2-CG2 4.04Å; Q107-T119 VanDerWaalsContact CD-OG1 3.29Å; Q107-T119 PolarHBondContact NE2-OG1 3.04Å; Q107-T119 PolarHBondContact OE1-OG1 2.96Å; Q107-T119 VanDerWaalsContact OE1-OG1 3.13Å; A115-T119 PolarHBondContact O-N 3.24Å; A115-T119 PolarHBondContact O-OG1 3Å; I116-T119 WeakPolarHBondContact O-CB 3.3Å; I116-T119 PolarHBondContact O-N 2.65Å; I116-T119 VanDerWaalsContact O-N 3.1Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 3Å; T119-N121 VanDerWaalsContact C-N 3.25Å; T119-N121 PolarHBondContact O-N 2.78Å; T119-E122 PolarHBondContact O-N 3.48Å; T119-Q123 HydrophobicContact CG2-CB 4.49Å; T119-Q123 HydrophobicContact CG2-CG 3.83Å; T119-Q123 VanDerWaalsContact O-CB 3.3Å; T119-Q123 WeakPolarHBondContact O-CB 3.36Å; T119-Q123 PolarHBondContact O-N 2.99Å
120	I	98.5	Very high	96.2	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-53.3	-47.7	175.9	-70.9	171.1	0	0	0	110.4	L17 I116 I117 K118 H124 I125 I128 V150 N155 V156	L17-I120 HydrophobicContact CD2-CG1 3.76Å; I116-I120 HydrophobicContact CG2-CD1 4.19Å; I116-I120 HydrophobicContact CG2-CG1 4.48Å; I116-I120 WeakPolarHBondContact O-CG1 3.46Å; I116-I120 PolarHBondContact O-N 3.26Å; I117-I120 HydrophobicContact CD1-CD1 4Å; I117-I120 WeakPolarHBondContact O-CB 3.38Å; I117-I120 PolarHBondContact O-N 3.49Å; K118-I120 PolarHBondContact O-N 2.92Å; I120-H124 PolarHBondContact O-N 3.41Å; I120-I125 HydrophobicContact CB-CB 4.36Å; I120-I125 HydrophobicContact CG1-CB 4.42Å; I120-I125 HydrophobicContact CG2-CB 4.2Å; I120-I125 PolarHBondContact O-N 3.45Å; I120-I128 HydrophobicContact CD1-CD1 4.06Å; I120-I128 HydrophobicContact CD1-CG2 4.41Å; I120-V150 HydrophobicContact CD1-CG1 4.32Å; I120-N155 WeakPolarHBondContact CG2-OD1 3.36Å; I120-V156 HydrophobicContact CD1-CG2 4.24Å; I120-V156 HydrophobicContact CG2-CB 4.42Å; I120-V156 HydrophobicContact CG2-CG1 3.8Å; I120-V156 HydrophobicContact CG2-CG2 3.72Å
121	N	98.2	Very high	95.9	Very high	75 Å²	75	40.7 Å²	40.7	40%	0.401	20%	0.2	S	C	.	.	H	α-helix	trans	-72.1	-47.7	-178.6	-66.5	-49.9	0	0	0	112.7	I117 K118 T119 Q123 H124 N155	I117-N121 PolarHBondContact O-N 3.32Å; I117-N121 PolarHBondContact O-ND2 2.99Å; K118-N121 PolarHBondContact O-N 3.44Å; T119-N121 VanDerWaalsContact C-N 3.25Å; T119-N121 PolarHBondContact O-N 2.78Å; N121-Q123 PolarHBondContact O-N 3.3Å; N121-H124 PolarHBondContact O-N 3.19Å; N121-H124 PolarHBondContact O-ND1 3.36Å; N121-N155 PolarHBondContact OD1-ND2 3.3Å
122	E	97.9	Very high	95.1	Very high	101 Å²	101	39.5 Å²	39.5	47%	0.472	20%	0.195	S	C	.	.	H	α-helix	trans	-69	-33.6	-175.7	-72.2	-180	161	0	0	113.1	K118 T119	K118-E122 WeakPolarHBondContact CE-OE1 3.38Å; K118-E122 WeakPolarHBondContact CE-OE2 3.5Å; K118-E122 HydrophobicContact CG-CG 4.24Å; K118-E122 IonicContact NZ-OE1 3.73Å; K118-E122 WeakPolarHBondContact O-CB 3.37Å; K118-E122 WeakPolarHBondContact O-CG 3.33Å; K118-E122 PolarHBondContact O-N 3.11Å; T119-E122 PolarHBondContact O-N 3.48Å
123	Q	97.7	Very high	93.9	Very high	56 Å²	56	45.2 Å²	45.2	26%	0.262	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.9	-179.6	-62.6	-56.4	-48.5	0	0	113.3	K15 I45 M105 T119 N121 I125	K15-Q123 WeakPolarHBondContact CD-O 3.31Å; K15-Q123 PolarHBondContact NZ-O 3.33Å; I45-Q123 HydrophobicContact CD1-CB 4.37Å; M105-Q123 HydrophobicContact CE-CG 4.29Å; M105-Q123 HydrophobicContact SD-CG 4.02Å; T119-Q123 HydrophobicContact CG2-CB 4.49Å; T119-Q123 HydrophobicContact CG2-CG 3.83Å; T119-Q123 VanDerWaalsContact O-CB 3.3Å; T119-Q123 WeakPolarHBondContact O-CB 3.36Å; T119-Q123 PolarHBondContact O-N 2.99Å; N121-Q123 PolarHBondContact O-N 3.3Å; Q123-I125 HydrophobicContact CB-CD1 3.8Å; Q123-I125 HydrophobicContact CB-CG1 4.07Å
124	H	97.6	Very high	92	Very high	145 Å²	145	49.4 Å²	49.4	67%	0.671	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	55.3	-173.5	-52.8	-61.7	0	0	0	111	I120 N121	I120-H124 PolarHBondContact O-N 3.41Å; N121-H124 PolarHBondContact O-N 3.19Å; N121-H124 PolarHBondContact O-ND1 3.36Å
125	I	98.5	Very high	89.9	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.036	26%	0.255	C	S	.	.			trans	-68.2	141.4	176.5	-60.2	-56.5	0	0	0	108.8	K15 L17 I45 I120 Q123 N127 V156	K15-I125 HydrophobicContact CB-CD1 4.06Å; L17-I125 HydrophobicContact CB-CB 4.43Å; L17-I125 HydrophobicContact CB-CD1 3.96Å; L17-I125 HydrophobicContact CB-CG1 3.95Å; L17-I125 HydrophobicContact CB-CG2 3.62Å; L17-I125 HydrophobicContact CD1-CD1 4.45Å; L17-I125 HydrophobicContact CD2-CG1 4.34Å; I45-I125 HydrophobicContact CD1-CD1 3.82Å; I120-I125 HydrophobicContact CB-CB 4.36Å; I120-I125 HydrophobicContact CG1-CB 4.42Å; I120-I125 HydrophobicContact CG2-CB 4.2Å; I120-I125 PolarHBondContact O-N 3.45Å; Q123-I125 HydrophobicContact CB-CD1 3.8Å; Q123-I125 HydrophobicContact CB-CG1 4.07Å; I125-N127 WeakPolarHBondContact CG2-O 3.47Å; I125-V156 HydrophobicContact CG2-CG2 4.48Å; I125-V156 WeakPolarHBondContact O-CG1 3.32Å
126	D	98.5	Very high	87.4	Confident	74 Å²	74	55.2 Å²	55.2	40%	0.396	28%	0.284	S	S	.	.	S	Bend	trans	-102.2	-25.3	178.7	-60.9	-73	0	0	0	112.5	R14 K15 P157	R14-D126 VanDerWaalsContact CA-OD2 3.27Å; R14-D126 WeakPolarHBondContact CA-OD2 3.24Å; R14-D126 HydrophobicContact CG-CB 3.63Å; K15-D126 PolarHBondContact N-OD2 2.94Å; K15-D126 PolarHBondContact O-N 2.87Å; D126-P157 WeakPolarHBondContact O-CD 3.29Å
127	N	97.9	Very high	84.5	Confident	20 Å²	20	65 Å²	65	11%	0.107	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.5	178	-155.3	-63.3	0	0	0	110.1	K15 I16 L17 I125 P157	K15-N127 PolarHBondContact O-N 3.38Å; I16-N127 CarbonylContact C-O 3.55Å; I16-N127 VanDerWaalsContact CA-O 3.27Å; I16-N127 WeakPolarHBondContact CA-O 3.38Å; I16-N127 HydrophobicContact CG1-CB 4.28Å; L17-N127 PolarHBondContact N-O 2.96Å; I125-N127 WeakPolarHBondContact CG2-O 3.47Å; N127-P157 PolarHBondContact OD1-O 2.92Å
128	I	98	Very high	81.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.9	173.2	-172.7	-177.6	0	0	0	110.9	L17 P19 I116 I120 M130 V150 V156 P157 V158 T159	L17-I128 HydrophobicContact CB-CB 4.32Å; L17-I128 HydrophobicContact CB-CG1 4.02Å; L17-I128 HydrophobicContact CD2-CD1 3.94Å; L17-I128 HydrophobicContact CD2-CG1 4.29Å; L17-I128 HydrophobicContact CG-CD1 4.39Å; L17-I128 HydrophobicContact CG-CG1 4.27Å; L17-I128 WeakPolarHBondContact O-CA 3.34Å; L17-I128 WeakPolarHBondContact O-CG1 3.41Å; P19-I128 HydrophobicContact CG-CD1 3.68Å; P19-I128 HydrophobicContact CG-CG1 4.19Å; I116-I128 HydrophobicContact CG2-CD1 3.61Å; I120-I128 HydrophobicContact CD1-CD1 4.06Å; I120-I128 HydrophobicContact CD1-CG2 4.41Å; I128-M130 HydrophobicContact CD1-CG 3.87Å; I128-M130 HydrophobicContact CD1-SD 4.2Å; I128-M130 HydrophobicContact CG1-CG 4Å; I128-V150 HydrophobicContact CD1-CG1 3.79Å; I128-V150 HydrophobicContact CG2-CG1 4.4Å; I128-V156 HydrophobicContact CG2-CG2 4.17Å; I128-P157 PolarHBondContact N-O 3.47Å; I128-V158 HydrophobicContact CG2-CB 4.09Å; I128-V158 HydrophobicContact CG2-CG1 4.09Å; I128-V158 HydrophobicContact CG2-CG2 3.71Å; I128-T159 PolarHBondContact O-N 3.32Å
129	I	96.1	Very high	79.4	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.5	172.9	-52.4	172.1	0	0	0	107.8	I16 L17 I18 P19 A29 W32 Y33 L37 T159 L161	I16-I129 HydrophobicContact CG2-CD1 3.84Å; I16-I129 HydrophobicContact CG2-CG1 3.95Å; L17-I129 PolarHBondContact O-N 2.93Å; I18-I129 HydrophobicContact CD1-CD1 4.29Å; I18-I129 HydrophobicContact CG1-CB 4.25Å; I18-I129 HydrophobicContact CG1-CD1 4.47Å; P19-I129 VanDerWaalsContact CD-O 3.29Å; P19-I129 WeakPolarHBondContact CD-O 3.38Å; A29-I129 HydrophobicContact CB-CG2 4.26Å; W32-I129 HydrophobicContact CE3-CD1 4.22Å; W32-I129 HydrophobicContact CE3-CG2 4.42Å; W32-I129 HydrophobicContact CZ3-CD1 4.09Å; W32-I129 HydrophobicContact CZ3-CG1 4.42Å; Y33-I129 HydrophobicContact CD2-CD1 4.07Å; Y33-I129 HydrophobicContact CG-CD1 4.3Å; L37-I129 HydrophobicContact CD2-CD1 3.97Å; L37-I129 HydrophobicContact CD2-CG1 4.26Å; I129-T159 HydrophobicContact CG2-CG2 4.44Å; I129-L161 HydrophobicContact CG2-CD1 3.59Å; I129-L161 HydrophobicContact CG2-CD2 4.45Å; I129-L161 HydrophobicContact CG2-CG 3.82Å
130	M	90.9	Very high	77.2	Confident	10 Å²	10	82.9 Å²	82.9	5%	0.049	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.9	178	-60.4	-163.6	68.9	0	0	111	P19 I128 V146 V150 V158 T159 I160 L161	P19-M130 HydrophobicContact CG-CG 4.49Å; I128-M130 HydrophobicContact CD1-CG 3.87Å; I128-M130 HydrophobicContact CD1-SD 4.2Å; I128-M130 HydrophobicContact CG1-CG 4Å; M130-V146 HydrophobicContact CE-CG1 4.32Å; M130-V150 HydrophobicContact CE-CB 4.18Å; M130-V150 HydrophobicContact CE-CG2 4.12Å; M130-V150 HydrophobicContact SD-CB 3.47Å; M130-V150 WeakPolarHBondContact SD-CB 3.41Å; M130-V150 HydrophobicContact SD-CG1 3.52Å; M130-V150 VanDerWaalsContact SD-CG1 3.52Å; M130-V150 HydrophobicContact SD-CG2 4Å; M130-V158 HydrophobicContact SD-CG1 4.5Å; M130-T159 PolarHBondContact N-O 3.16Å; M130-I160 HydrophobicContact CB-CD1 3.79Å; M130-I160 HydrophobicContact CG-CD1 4.33Å; M130-I160 CarbonylContact O-C 3.53Å; M130-I160 WeakPolarHBondContact O-CA 3.34Å; M130-I160 HydrophobicContact SD-CD1 4.32Å; M130-L161 PolarHBondContact O-N 2.98Å
131	L	83.3	Confident	74.7	Confident	20 Å²	20	86.3 Å²	86.3	11%	0.105	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137	167.4	-65.9	111.1	0	0	0	111.1	E25 K28 A29 R133	E25-L131 HydrophobicContact CB-CD1 4.09Å; E25-L131 HydrophobicContact CB-CD2 4Å; E25-L131 HydrophobicContact CB-CG 4.44Å; E25-L131 HydrophobicContact CG-CD2 4.37Å; E25-L131 VanDerWaalsContact O-CD1 3.28Å; E25-L131 WeakPolarHBondContact O-CD1 3.35Å; E25-L131 WeakPolarHBondContact O-CD2 3.41Å; K28-L131 HydrophobicContact CB-CD2 4.1Å; A29-L131 HydrophobicContact CB-CD1 3.71Å; A29-L131 HydrophobicContact CB-CG 4.29Å; L131-R133 PolarHBondContact O-N 3.02Å
132	K	75.1	Confident	72.4	Confident	108 Å²	108	88.3 Å²	88.3	47%	0.47	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	112.8	166.2	-175	-178.7	179.9	-179	0	108.1	S134 I160 L161	K132-S134 PolarHBondContact O-N 2.88Å; K132-I160 HydrophobicContact CB-CG2 4.21Å; K132-L161 VanDerWaalsContact CB-O 3.3Å; K132-L161 WeakPolarHBondContact CB-O 3.49Å; K132-L161 PolarHBondContact N-O 3.47Å
133	R	66.4	Low	70.1	Confident	142 Å²	142	89.8 Å²	89.8	54%	0.536	46%	0.456	S	S	.	.			trans	-60.6	128.6	170.3	-66.4	-172.6	69.1	-171.3	0.6	110	L131 L135	L131-R133 PolarHBondContact O-N 3.02Å; R133-L135 PolarHBondContact O-N 2.99Å
134	S	54.2	Low	68.2	Low	93 Å²	93	90.6 Å²	90.6	65%	0.65	48%	0.48	S	S	*	.			trans	-76.9	74.8	166.8	57.7	0	0	0	0	109.2	K132 G136	K132-S134 PolarHBondContact O-N 2.88Å; S134-G136 PolarHBondContact O-N 2.86Å
135	L	51.7	Low	67.4	Low	109 Å²	109	85.5 Å²	85.5	57%	0.571	46%	0.46	S	S	*	.			trans	-68	103.9	164.2	-73.1	166.3	0	0	0	106.8	R133 F137	R133-L135 PolarHBondContact O-N 2.99Å; L135-F137 PolarHBondContact O-N 3.43Å
136	G	42.5	Very low	66.9	Low	59 Å²	59	87.7 Å²	87.7	61%	0.608	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	128.6	172.5	0	0	0	0	0	110.4	S134 I138	S134-G136 PolarHBondContact O-N 2.86Å; G136-I138 VanDerWaalsContact C-N 3.34Å; G136-I138 PolarHBondContact O-N 3.36Å
137	F	37.5	Very low	66.4	Low	210 Å²	210	85.1 Å²	85.1	92%	0.921	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	18.3	158.7	-70.3	-83.3	0	0	0	120.6	L135 K139	L135-F137 PolarHBondContact O-N 3.43Å; F137-K139 PolarHBondContact O-N 3.3Å
138	I	42.5	Very low	65.9	Low	98 Å²	98	84.7 Å²	84.7	50%	0.503	46%	0.46	S	S	.	.			trans	-96.3	89.3	160.4	-53.2	174.1	0	0	0	108.6	G136 R140	G136-I138 VanDerWaalsContact C-N 3.34Å; G136-I138 PolarHBondContact O-N 3.36Å; I138-R140 HydrophobicContact CG2-CB 3.79Å; I138-R140 HydrophobicContact CG2-CG 4.16Å; I138-R140 PolarHBondContact O-N 3.22Å
139	K	46.4	Very low	65.6	Low	212 Å²	212	88.6 Å²	88.6	92%	0.922	48%	0.475	S	S	*	.			trans	-61.7	2.5	170.6	-80.1	-173.2	175.6	-177.3	0	114.1	F137 A141	F137-K139 PolarHBondContact O-N 3.3Å; K139-A141 PolarHBondContact O-N 3.24Å
140	R	51.2	Low	65.5	Low	200 Å²	200	88.6 Å²	88.6	76%	0.755	48%	0.475	S	S	*	.	S	Bend	trans	-76.2	120	175.7	-67.3	-172.4	-71.5	-94	1.5	108.6	I138 I142	I138-R140 HydrophobicContact CG2-CB 3.79Å; I138-R140 HydrophobicContact CG2-CG 4.16Å; I138-R140 PolarHBondContact O-N 3.22Å; R140-I142 PolarHBondContact O-N 3Å
141	A	45.9	Very low	65.6	Low	73 Å²	73	92.5 Å²	92.5	60%	0.603	50%	0.496	S	S	*	.			trans	-43.3	124.8	178.8	0	0	0	0	0	112.4	K139 T143	K139-A141 PolarHBondContact O-N 3.24Å; A141-T143 PolarHBondContact O-N 2.89Å; A141-T143 PolarHBondContact O-OG1 2.83Å
142	I	51.7	Low	66.1	Low	117 Å²	117	98.2 Å²	98.2	60%	0.6	52%	0.522	S	S	*	.	S	Bend	trans	5.7	43.2	140.5	-43.4	176.9	0	0	0	117	R140 S148	R140-I142 PolarHBondContact O-N 3Å; I142-S148 PolarHBondContact O-OG 3.48Å
143	T	47.9	Very low	67.1	Low	133 Å²	133	97.9 Å²	97.9	82%	0.816	52%	0.522	S	S	*	.	S	Bend	trans	-115.2	93.2	170.8	44.6	0	0	0	0	105.9	A141	A141-T143 PolarHBondContact O-N 2.89Å; A141-T143 PolarHBondContact O-OG1 2.83Å
144	G	59.4	Low	68.5	Low	73 Å²	73	92.2 Å²	92.2	75%	0.753	50%	0.504	S	S	*	.	S	Bend	trans	114.4	7.6	176.5	0	0	0	0	0	117.1
145	S	79.4	Confident	70.5	Confident	37 Å²	37	93.1 Å²	93.1	26%	0.259	50%	0.502	S	S	.	.			trans	-71.5	150.4	165.2	74.1	0	0	0	0	110.3	S147 S148 Y149	S145-S147 PolarHBondContact O-N 3.31Å; S145-S147 PolarHBondContact OG-OG 3.36Å; S145-S148 WeakPolarHBondContact O-CB 3.4Å; S145-S148 PolarHBondContact O-N 2.99Å; S145-S148 VanDerWaalsContact O-N 3.11Å; S145-S148 VanDerWaalsContact OG-CB 3.26Å; S145-S148 WeakPolarHBondContact OG-CB 3.27Å; S145-S148 PolarHBondContact OG-N 3.4Å; S145-Y149 PolarHBondContact O-N 3.39Å
146	V	88.9	Confident	72.8	Confident	53 Å²	53	89 Å²	89	32%	0.321	48%	0.481	S	S	.	.	H	α-helix	trans	-55.8	-40.6	173.3	-179.3	0	0	0	0	110.7	P112 I116 M130 Y149 V150	P112-V146 HydrophobicContact CB-CG1 4.18Å; P112-V146 HydrophobicContact CB-CG2 3.96Å; I116-V146 HydrophobicContact CD1-CG1 3.45Å; I116-V146 VanDerWaalsContact CD1-CG1 3.45Å; M130-V146 HydrophobicContact CE-CG1 4.32Å; V146-Y149 PolarHBondContact O-N 2.9Å; V146-V150 HydrophobicContact CG1-CG2 4.49Å; V146-V150 VanDerWaalsContact O-CG2 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.38Å; V146-V150 PolarHBondContact O-N 3.13Å
147	S	88.2	Confident	75.4	Confident	21 Å²	21	90.1 Å²	90.1	15%	0.147	48%	0.477	C	S	.	.	H	α-helix	trans	-63.7	-39.6	175.4	56.6	0	0	0	0	114.1	S145 L151	S145-S147 PolarHBondContact O-N 3.31Å; S145-S147 PolarHBondContact OG-OG 3.36Å; S147-L151 WeakPolarHBondContact O-CB 3.34Å; S147-L151 PolarHBondContact O-N 3.03Å
148	S	87.5	Confident	78.2	Confident	11 Å²	11	81.9 Å²	81.9	8%	0.077	44%	0.444	C	S	.	.	H	α-helix	trans	-65	-46.8	174.9	-176.9	0	0	0	0	110.4	I142 S145 V150 L151 H152	I142-S148 PolarHBondContact O-OG 3.48Å; S145-S148 WeakPolarHBondContact O-CB 3.4Å; S145-S148 PolarHBondContact O-N 2.99Å; S145-S148 VanDerWaalsContact O-N 3.11Å; S145-S148 VanDerWaalsContact OG-CB 3.26Å; S145-S148 WeakPolarHBondContact OG-CB 3.27Å; S145-S148 PolarHBondContact OG-N 3.4Å; S148-V150 VanDerWaalsContact C-N 3.33Å; S148-V150 PolarHBondContact O-N 3.03Å; S148-L151 PolarHBondContact O-N 3.4Å; S148-H152 PolarHBondContact O-CD2 2.88Å; S148-H152 PolarHBondContact O-N 3.5Å
149	Y	91.7	Very high	80.7	Confident	81 Å²	81	78.7 Å²	78.7	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-55.6	-50.3	177.1	-172.2	-85.9	0	0	0	110.9	G113 P114 I117 S145 V146 H152 H153	G113-Y149 VanDerWaalsContact C-CE1 3.42Å; G113-Y149 VanDerWaalsContact CA-CD1 3.46Å; P114-Y149 HydrophobicContact CB-CE1 4.48Å; P114-Y149 HydrophobicContact CG-CE1 3.91Å; P114-Y149 HydrophobicContact CG-CE2 4.38Å; P114-Y149 VanDerWaalsContact N-CE1 3.35Å; I117-Y149 HydrophobicContact CG1-CD1 4.2Å; I117-Y149 HydrophobicContact CG1-CE1 3.83Å; S145-Y149 PolarHBondContact O-N 3.39Å; V146-Y149 PolarHBondContact O-N 2.9Å; Y149-H152 PolarHBondContact O-N 3.38Å; Y149-H153 AromaticContact CD1-ND1 3.96Å; Y149-H153 AromaticContact CD2-CE1 3.68Å; Y149-H153 AromaticContact CD2-ND1 3.81Å; Y149-H153 HydrophobicContact CE1-CB 4.21Å; Y149-H153 AromaticContact CE1-ND1 3.96Å; Y149-H153 AromaticContact CE2-CE1 3.5Å; Y149-H153 VanDerWaalsContact CE2-CE1 3.5Å; Y149-H153 WeakPolarHBondContact CE2-CE1 2.88Å; Y149-H153 AromaticContact CE2-ND1 3.79Å; Y149-H153 AromaticContact CE2-NE2 3.85Å; Y149-H153 AromaticContact CG-ND1 3.88Å; Y149-H153 AromaticContact CZ-CE1 3.91Å; Y149-H153 AromaticContact CZ-CG 3.95Å; Y149-H153 AromaticContact CZ-ND1 3.85Å; Y149-H153 WeakPolarHBondContact O-CB 3.41Å; Y149-H153 PolarHBondContact O-N 3.1Å; Y149-H153 PolarHBondContact O-ND1 3.18Å
150	V	93.8	Very high	82.8	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-66.4	-42.3	-179.7	175.8	0	0	0	0	111.9	I116 I117 I120 I128 M130 V146 S148 H152 H153 S154	I116-V150 HydrophobicContact CB-CG2 3.94Å; I116-V150 HydrophobicContact CD1-CG2 4.13Å; I116-V150 HydrophobicContact CG2-CG1 4.22Å; I116-V150 HydrophobicContact CG2-CG2 3.64Å; I117-V150 HydrophobicContact CD1-CB 4.4Å; I117-V150 HydrophobicContact CD1-CG1 4.12Å; I117-V150 HydrophobicContact CD1-CG2 4.37Å; I120-V150 HydrophobicContact CD1-CG1 4.32Å; I128-V150 HydrophobicContact CD1-CG1 3.79Å; I128-V150 HydrophobicContact CG2-CG1 4.4Å; M130-V150 HydrophobicContact CE-CB 4.18Å; M130-V150 HydrophobicContact CE-CG2 4.12Å; M130-V150 HydrophobicContact SD-CB 3.47Å; M130-V150 WeakPolarHBondContact SD-CB 3.41Å; M130-V150 HydrophobicContact SD-CG1 3.52Å; M130-V150 VanDerWaalsContact SD-CG1 3.52Å; M130-V150 HydrophobicContact SD-CG2 4Å; V146-V150 HydrophobicContact CG1-CG2 4.49Å; V146-V150 VanDerWaalsContact O-CG2 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.38Å; V146-V150 PolarHBondContact O-N 3.13Å; S148-V150 VanDerWaalsContact C-N 3.33Å; S148-V150 PolarHBondContact O-N 3.03Å; V150-H152 PolarHBondContact O-N 2.64Å; V150-H153 PolarHBondContact O-N 3.37Å; V150-S154 WeakPolarHBondContact O-CB 3.48Å; V150-S154 PolarHBondContact O-N 3.19Å
151	L	92.7	Very high	84.6	Confident	92 Å²	92	63 Å²	63	48%	0.482	37%	0.37	S	S	.	.	H	α-helix	trans	-55.5	-38.2	176	-178.5	65.5	0	0	0	112.5	S147 S148 V158	S147-L151 WeakPolarHBondContact O-CB 3.34Å; S147-L151 PolarHBondContact O-N 3.03Å; S148-L151 PolarHBondContact O-N 3.4Å; L151-V158 HydrophobicContact CD1-CB 4.1Å; L151-V158 HydrophobicContact CD1-CG1 4.13Å
152	H	93	Very high	86.3	Confident	141 Å²	141	62.9 Å²	62.9	65%	0.653	36%	0.364	S	S	*	.	H	α-helix	trans	-86	-21.2	-178.3	-75.4	-68.1	0	0	0	114.9	S148 Y149 V150	S148-H152 PolarHBondContact O-CD2 2.88Å; S148-H152 PolarHBondContact O-N 3.5Å; Y149-H152 PolarHBondContact O-N 3.38Å; V150-H152 PolarHBondContact O-N 2.64Å
153	H	95.8	Very high	87	Confident	101 Å²	101	58.6 Å²	58.6	47%	0.468	35%	0.345	S	S	.	.	H	α-helix	trans	-115.6	-8.7	-173.6	-61.3	82.6	0	0	0	113.9	I117 Y149 V150	I117-H153 HydrophobicContact CD1-CB 3.93Å; I117-H153 HydrophobicContact CG1-CB 3.91Å; Y149-H153 AromaticContact CD1-ND1 3.96Å; Y149-H153 AromaticContact CD2-CE1 3.68Å; Y149-H153 AromaticContact CD2-ND1 3.81Å; Y149-H153 HydrophobicContact CE1-CB 4.21Å; Y149-H153 AromaticContact CE1-ND1 3.96Å; Y149-H153 AromaticContact CE2-CE1 3.5Å; Y149-H153 VanDerWaalsContact CE2-CE1 3.5Å; Y149-H153 WeakPolarHBondContact CE2-CE1 2.88Å; Y149-H153 AromaticContact CE2-ND1 3.79Å; Y149-H153 AromaticContact CE2-NE2 3.85Å; Y149-H153 AromaticContact CG-ND1 3.88Å; Y149-H153 AromaticContact CZ-CE1 3.91Å; Y149-H153 AromaticContact CZ-CG 3.95Å; Y149-H153 AromaticContact CZ-ND1 3.85Å; Y149-H153 WeakPolarHBondContact O-CB 3.41Å; Y149-H153 PolarHBondContact O-N 3.1Å; Y149-H153 PolarHBondContact O-ND1 3.18Å; V150-H153 PolarHBondContact O-N 3.37Å
154	S	96.7	Very high	87.3	Confident	23 Å²	23	60 Å²	60	16%	0.161	34%	0.344	C	S	.	.			trans	-70.1	133.5	176.9	-178.4	0	0	0	0	111	V150 V156	V150-S154 WeakPolarHBondContact O-CB 3.48Å; V150-S154 PolarHBondContact O-N 3.19Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 WeakPolarHBondContact OG-CG2 3.35Å; S154-V156 PolarHBondContact OG-N 3.32Å; S154-V156 VanDerWaalsContact OG-N 3.09Å; S154-V156 PolarHBondContact OG-O 3.31Å
155	N	97	Very high	86.9	Confident	112 Å²	112	62.3 Å²	62.3	60%	0.599	34%	0.339	S	S	*	.	S	Bend	trans	-88.9	-0.8	168.2	57.7	-15.2	0	0	0	112.9	I120 N121	I120-N155 WeakPolarHBondContact CG2-OD1 3.36Å; N121-N155 PolarHBondContact OD1-ND2 3.3Å
156	V	98.4	Very high	84.8	Confident	23 Å²	23	71.9 Å²	71.9	14%	0.139	39%	0.387	C	S	.	.	S	Bend	trans	-116.1	154.9	179.9	-55.5	0	0	0	0	110.7	I120 I125 I128 S154 V158	I120-V156 HydrophobicContact CD1-CG2 4.24Å; I120-V156 HydrophobicContact CG2-CB 4.42Å; I120-V156 HydrophobicContact CG2-CG1 3.8Å; I120-V156 HydrophobicContact CG2-CG2 3.72Å; I125-V156 HydrophobicContact CG2-CG2 4.48Å; I125-V156 WeakPolarHBondContact O-CG1 3.32Å; I128-V156 HydrophobicContact CG2-CG2 4.17Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 WeakPolarHBondContact OG-CG2 3.35Å; S154-V156 PolarHBondContact OG-N 3.32Å; S154-V156 VanDerWaalsContact OG-N 3.09Å; S154-V156 PolarHBondContact OG-O 3.31Å; V156-V158 WeakPolarHBondContact O-CG2 3.19Å; V156-V158 PolarHBondContact O-N 2.85Å
157	P	97.9	Very high	84.6	Confident	82 Å²	82	72.8 Å²	72.8	53%	0.532	39%	0.391	S	S	.	.			trans	-51.1	132.7	174.3	-27.6	34.8	0	0	0	112.6	D126 N127 I128	D126-P157 WeakPolarHBondContact O-CD 3.29Å; N127-P157 PolarHBondContact OD1-O 2.92Å; I128-P157 PolarHBondContact N-O 3.47Å
158	V	96.2	Very high	84.5	Confident	37 Å²	37	75.5 Å²	75.5	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.2	-178.1	-176.9	0	0	0	0	109.5	I128 M130 L151 V156 I160	I128-V158 HydrophobicContact CG2-CB 4.09Å; I128-V158 HydrophobicContact CG2-CG1 4.09Å; I128-V158 HydrophobicContact CG2-CG2 3.71Å; M130-V158 HydrophobicContact SD-CG1 4.5Å; L151-V158 HydrophobicContact CD1-CB 4.1Å; L151-V158 HydrophobicContact CD1-CG1 4.13Å; V156-V158 WeakPolarHBondContact O-CG2 3.19Å; V156-V158 PolarHBondContact O-N 2.85Å; V158-I160 HydrophobicContact CG1-CD1 3.52Å; V158-I160 HydrophobicContact CG1-CG1 4.18Å
159	T	94.8	Very high	84.3	Confident	30 Å²	30	79.1 Å²	79.1	18%	0.184	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.5	170.7	-58.1	0	0	0	0	109.5	W32 I128 I129 M130 L161	W32-T159 HydrophobicContact CE3-CG2 4.37Å; W32-T159 HydrophobicContact CH2-CG2 3.42Å; W32-T159 VanDerWaalsContact CH2-CG2 3.42Å; W32-T159 HydrophobicContact CZ2-CG2 3.87Å; W32-T159 HydrophobicContact CZ3-CG2 3.7Å; I128-T159 PolarHBondContact O-N 3.32Å; I129-T159 HydrophobicContact CG2-CG2 4.44Å; M130-T159 PolarHBondContact N-O 3.16Å; T159-L161 HydrophobicContact CG2-CD2 3.73Å; T159-L161 HydrophobicContact CG2-CG 4.47Å
160	I	91.6	Very high	83.9	Confident	67 Å²	67	79 Å²	79	34%	0.344	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.4	174.4	-53.9	-58.8	0	0	0	110	M130 K132 V158	M130-I160 HydrophobicContact CB-CD1 3.79Å; M130-I160 HydrophobicContact CG-CD1 4.33Å; M130-I160 CarbonylContact O-C 3.53Å; M130-I160 WeakPolarHBondContact O-CA 3.34Å; M130-I160 HydrophobicContact SD-CD1 4.32Å; K132-I160 HydrophobicContact CB-CG2 4.21Å; V158-I160 HydrophobicContact CG1-CD1 3.52Å; V158-I160 HydrophobicContact CG1-CG1 4.18Å
161	L	89.2	Confident	83.2	Confident	17 Å²	17	83.9 Å²	83.9	9%	0.089	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.8	174.5	-53.4	-174.8	0	0	0	110.4	A29 W32 I129 M130 K132 T159	A29-L161 HydrophobicContact CB-CD1 4Å; W32-L161 HydrophobicContact CB-CD1 3.75Å; W32-L161 HydrophobicContact CB-CD2 4.37Å; W32-L161 HydrophobicContact CD2-CD1 4.13Å; W32-L161 HydrophobicContact CD2-CD2 3.39Å; W32-L161 HydrophobicContact CD2-CG 4.4Å; W32-L161 HydrophobicContact CE3-CD1 4.29Å; W32-L161 HydrophobicContact CE3-CD2 3.87Å; W32-L161 HydrophobicContact CG-CD1 3.89Å; W32-L161 HydrophobicContact CG-CD2 3.59Å; W32-L161 HydrophobicContact CG-CG 4.41Å; W32-L161 HydrophobicContact CZ2-CD2 4.16Å; W32-L161 HydrophobicContact CZ3-CD2 4.45Å; I129-L161 HydrophobicContact CG2-CD1 3.59Å; I129-L161 HydrophobicContact CG2-CD2 4.45Å; I129-L161 HydrophobicContact CG2-CG 3.82Å; M130-L161 PolarHBondContact O-N 2.98Å; K132-L161 VanDerWaalsContact CB-O 3.3Å; K132-L161 WeakPolarHBondContact CB-O 3.49Å; K132-L161 PolarHBondContact N-O 3.47Å; T159-L161 HydrophobicContact CG2-CD2 3.73Å; T159-L161 HydrophobicContact CG2-CG 4.47Å
162	S	81.5	Confident	82.6	Confident	69 Å²	69	83.4 Å²	83.4	48%	0.483	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134	171.6	-170.9	0	0	0	0	109.7	M164	S162-M164 PolarHBondContact O-N 3.19Å
163	S	66.4	Low	81.9	Confident	28 Å²	28	79.3 Å²	79.3	20%	0.196	44%	0.438	C	S	.	.			trans	-73.9	29	172.1	-174.6	0	0	0	0	113	K28 N165	K28-S163 PolarHBondContact NZ-OG 2.78Å; S163-N165 PolarHBondContact O-N 3.44Å; S163-N165 PolarHBondContact O-OD1 3.03Å
164	M	52.6	Low	80.8	Confident	161 Å²	161	77.6 Å²	77.6	79%	0.793	44%	0.436	S	S	*	.			trans	-65.5	109.5	173.2	-78.7	-142.6	-85.4	0	0	108.5	S162 N166	S162-M164 PolarHBondContact O-N 3.19Å; M164-N166 PolarHBondContact O-N 3.08Å
165	N	51	Low	79.5	Confident	123 Å²	123	82.2 Å²	82.2	66%	0.658	46%	0.459	S	S	*	.			trans	-64.7	125.6	165.4	-59.8	-20.1	0	0	0	106.5	K28 S163	K28-N165 PolarHBondContact NZ-OD1 2.83Å; S163-N165 PolarHBondContact O-N 3.44Å; S163-N165 PolarHBondContact O-OD1 3.03Å
166	N	36.9	Very low	77.9	Confident	237 Å²	237	79.5 Å²	79.5	100%	1.267	45%	0.446	S	S	*	.			trans	-87	0	146.5	-92.3	18.1	0	0	0	107.3	M164	M164-N166 PolarHBondContact O-N 3.08Å

Retrieved 166 of 166 residues in 172.3 ms (Link to these results)

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