A0A087XKM5_POEFO Loading...

Leucine rich repeat containing 18

AlphaFold DB , UniProt , Accession A0A087XKM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 233 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	G	36.3	Very low	54.2	Low	130 Å²	130	107.5 Å²	107.5	100%	1.34	65%	0.65	S	S	*	*				0	123.9	0	0	0	0	0	0	110.5
2	K	34.9	Very low	57.6	Low	206 Å²	206	103.9 Å²	103.9	90%	0.896	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-77.5	122	175.2	-70.6	176.1	176.9	174.6	0	108.7	K4	K2-K4 PolarHBondContact O-N 2.84Å
3	C	43.5	Very low	60.5	Low	82 Å²	82	99.6 Å²	99.6	55%	0.554	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-70.4	118.2	172.1	-62.4	0	0	0	0	109.1
4	K	40.1	Very low	63.1	Low	202 Å²	202	105.6 Å²	105.6	88%	0.878	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-92.7	131.6	175.1	-77	-174	176.8	-179	0	109.8	K2	K2-K4 PolarHBondContact O-N 2.84Å
5	G	36.9	Very low	65.3	Low	31 Å²	31	101.5 Å²	101.5	32%	0.32	60%	0.601	S	S	.	*			trans	-167.7	133.9	171.4	0	0	0	0	0	107	K10	G5-K10 WeakPolarHBondContact O-CE 3.47Å
6	S	42.5	Very low	67.2	Low	113 Å²	113	95.2 Å²	95.2	79%	0.79	56%	0.564	S	S	*	*	S	Bend	trans	-59.9	140.7	-174.2	45.3	0	0	0	0	112.6	S8	S6-S8 PolarHBondContact O-N 3.37Å
7	G	49.7	Very low	69	Low	93 Å²	93	96.9 Å²	96.9	96%	0.959	56%	0.562	S	S	*	*	S	Bend	trans	62.1	-22.5	167.6	0	0	0	0	0	119.3
8	S	60.8	Low	70.5	Confident	19 Å²	19	102.2 Å²	102.2	13%	0.133	58%	0.577	C	S	.	*	S	Bend	trans	-76.6	137.4	-177.1	59.6	0	0	0	0	111.5	S6 K10 T38	S6-S8 PolarHBondContact O-N 3.37Å; S8-K10 PolarHBondContact O-N 3.42Å; S8-T38 WeakPolarHBondContact CB-OG1 3.21Å
9	R	76.1	Confident	71.9	Confident	141 Å²	141	99.5 Å²	99.5	53%	0.532	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-54.7	127.6	170.6	-169.4	175.9	-173.1	171.3	-1.6	108.7	M35 F37	R9-M35 WeakPolarHBondContact CD-O 3.27Å; R9-M35 PolarHBondContact NH1-O 3.07Å; R9-M35 PolarHBondContact NH1-SD 2.91Å; R9-F37 HydrophobicContact CB-CD1 4.08Å; R9-F37 HydrophobicContact CB-CE1 4.06Å; R9-F37 HydrophobicContact CG-CE1 4.21Å; R9-F37 WeakPolarHBondContact O-CD1 3.19Å; R9-F37 WeakPolarHBondContact O-CE1 3.17Å
10	K	83	Confident	73.2	Confident	135 Å²	135	95.9 Å²	95.9	59%	0.587	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-93.6	131.6	-177.4	-67.8	177.1	-177.1	165.1	0	110.1	G5 S8	G5-K10 WeakPolarHBondContact O-CE 3.47Å; S8-K10 PolarHBondContact O-N 3.42Å
11	L	92.4	Very high	74.3	Confident	30 Å²	30	96.3 Å²	96.3	16%	0.157	55%	0.548	C	S	.	.			trans	-106.3	127.9	168.6	-175.2	65.4	0	0	0	109.2	A15 A16 L32 F37 P41 C43 L44	L11-A15 HydrophobicContact CD1-CB 4.05Å; L11-A16 HydrophobicContact CD1-CB 4.4Å; L11-A16 HydrophobicContact CD2-CB 3.89Å; L11-A16 HydrophobicContact CG-CB 4.1Å; L11-L32 HydrophobicContact CD1-CD2 4.44Å; L11-L32 HydrophobicContact CD2-CD1 3.55Å; L11-L32 HydrophobicContact CD2-CD2 4.2Å; L11-F37 HydrophobicContact CB-CE1 4.01Å; L11-F37 HydrophobicContact CB-CZ 3.92Å; L11-F37 HydrophobicContact CD2-CZ 4.39Å; L11-P41 HydrophobicContact CB-CB 4Å; L11-P41 HydrophobicContact CB-CG 4.38Å; L11-P41 HydrophobicContact CD2-CB 4.16Å; L11-P41 HydrophobicContact CD2-CG 4.45Å; L11-C43 PolarHBondContact O-SG 3.29Å; L11-C43 VanDerWaalsContact O-SG 3.38Å; L11-L44 HydrophobicContact CD2-CD1 4.48Å; L11-L44 HydrophobicContact CD2-CD2 3.7Å; L11-L44 HydrophobicContact CD2-CG 4.21Å
12	S	94.9	Very high	77.2	Confident	65 Å²	65	93.9 Å²	93.9	46%	0.455	51%	0.507	S	S	.	.			trans	-88.8	150.5	170.9	76.3	0	0	0	0	110.4	K14 A15 A16	S12-K14 PolarHBondContact O-N 3.12Å; S12-A15 PolarHBondContact O-N 3.02Å; S12-A15 VanDerWaalsContact O-N 3.13Å; S12-A15 VanDerWaalsContact OG-CB 3.32Å; S12-A15 WeakPolarHBondContact OG-CB 3.21Å; S12-A15 PolarHBondContact OG-N 3.24Å; S12-A15 VanDerWaalsContact OG-N 3.09Å; S12-A16 PolarHBondContact O-N 3.49Å
13	L	95.8	Very high	79.9	Confident	48 Å²	48	85.2 Å²	85.2	25%	0.251	47%	0.472	S	S	.	.	H	α-helix	trans	-58.4	-35.4	175.3	-177.7	63	0	0	0	112.1	A16 K17 C43 K46 L47	L13-A16 PolarHBondContact O-N 3.23Å; L13-K17 HydrophobicContact CD1-CG 4.33Å; L13-K17 HydrophobicContact CG-CD 4.32Å; L13-K17 HydrophobicContact CG-CG 4.44Å; L13-K17 WeakPolarHBondContact O-CB 3.21Å; L13-K17 VanDerWaalsContact O-CG 3.31Å; L13-K17 WeakPolarHBondContact O-CG 3.46Å; L13-K17 PolarHBondContact O-N 3.07Å; L13-C43 HydrophobicContact CB-CB 4.31Å; L13-K46 HydrophobicContact CD1-CB 4.14Å; L13-K46 HydrophobicContact CD2-CB 4.4Å; L13-K46 HydrophobicContact CD2-CD 3.95Å; L13-L47 HydrophobicContact CD1-CD2 3.71Å; L13-L47 HydrophobicContact CD1-CG 4.19Å
14	K	96.1	Very high	82.2	Confident	183 Å²	183	91.4 Å²	91.4	80%	0.796	49%	0.493	S	S	*	.	H	α-helix	trans	-64.3	-44.7	177.1	-173.1	178.1	-179.5	179.5	0	111	S12 K17 K18	S12-K14 PolarHBondContact O-N 3.12Å; K14-K17 PolarHBondContact O-N 3.37Å; K14-K18 PolarHBondContact O-N 3.5Å; K14-K18 VanDerWaalsContact O-N 3.07Å
15	A	96.2	Very high	84.7	Confident	45 Å²	45	86.5 Å²	86.5	37%	0.372	48%	0.476	S	S	.	.	H	α-helix	trans	-64.7	-44.8	176	0	0	0	0	0	111.4	L11 S12 K17 K18 A19	L11-A15 HydrophobicContact CD1-CB 4.05Å; S12-A15 PolarHBondContact O-N 3.02Å; S12-A15 VanDerWaalsContact O-N 3.13Å; S12-A15 VanDerWaalsContact OG-CB 3.32Å; S12-A15 WeakPolarHBondContact OG-CB 3.21Å; S12-A15 PolarHBondContact OG-N 3.24Å; S12-A15 VanDerWaalsContact OG-N 3.09Å; A15-K17 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 2.9Å; A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 2.89Å
16	A	96.6	Very high	87.4	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	49%	0.485	C	S	.	.	H	α-helix	trans	-58.2	-48.5	176.4	0	0	0	0	0	111.5	L11 S12 L13 K18 A19 I20 L30 L44 L47	L11-A16 HydrophobicContact CD1-CB 4.4Å; L11-A16 HydrophobicContact CD2-CB 3.89Å; L11-A16 HydrophobicContact CG-CB 4.1Å; S12-A16 PolarHBondContact O-N 3.49Å; L13-A16 PolarHBondContact O-N 3.23Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 3.45Å; A16-A19 PolarHBondContact O-N 2.84Å; A16-A19 VanDerWaalsContact O-N 3.12Å; A16-I20 WeakPolarHBondContact O-CG1 2.83Å; A16-I20 PolarHBondContact O-N 3.09Å; A16-L30 HydrophobicContact CB-CD2 4.44Å; A16-L44 HydrophobicContact CB-CD2 3.92Å; A16-L47 HydrophobicContact CB-CD1 4.13Å
17	K	96.8	Very high	90	Very high	124 Å²	124	84.7 Å²	84.7	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-39.3	177.3	-76	-177.9	175.8	-168.7	0	113	L13 K14 A15 A19 I20 L47	L13-K17 HydrophobicContact CD1-CG 4.33Å; L13-K17 HydrophobicContact CG-CD 4.32Å; L13-K17 HydrophobicContact CG-CG 4.44Å; L13-K17 WeakPolarHBondContact O-CB 3.21Å; L13-K17 VanDerWaalsContact O-CG 3.31Å; L13-K17 WeakPolarHBondContact O-CG 3.46Å; L13-K17 PolarHBondContact O-N 3.07Å; K14-K17 PolarHBondContact O-N 3.37Å; A15-K17 PolarHBondContact O-N 3.46Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-I20 PolarHBondContact O-N 3.13Å; K17-L47 HydrophobicContact CG-CD2 3.78Å
18	K	96.8	Very high	92.3	Very high	192 Å²	192	85.4 Å²	85.4	84%	0.835	43%	0.433	S	S	*	.	H	α-helix	trans	-68.7	-29.7	177.4	-173.7	177.7	178.4	-176.2	0	112.4	K14 A15 A16 I20	K14-K18 PolarHBondContact O-N 3.5Å; K14-K18 VanDerWaalsContact O-N 3.07Å; A15-K18 PolarHBondContact O-N 2.9Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 3.45Å; K18-I20 VanDerWaalsContact C-N 3.33Å
19	A	96.7	Very high	94.1	Very high	52 Å²	52	88.9 Å²	88.9	43%	0.43	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.7	179.6	0	0	0	0	0	113.8	A15 A16 K17 N21 L30	A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 2.89Å; A16-A19 PolarHBondContact O-N 2.84Å; A16-A19 VanDerWaalsContact O-N 3.12Å; K17-A19 VanDerWaalsContact C-N 3.3Å; A19-N21 PolarHBondContact O-N 3.26Å; A19-L30 HydrophobicContact CB-CD1 3.66Å
20	I	97.8	Very high	95.1	Very high	27 Å²	27	82.1 Å²	82.1	14%	0.138	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.5	173.9	-64.6	169.6	0	0	0	108.4	A16 K17 K18 R28 R29 L30 L47 L50	A16-I20 WeakPolarHBondContact O-CG1 2.83Å; A16-I20 PolarHBondContact O-N 3.09Å; K17-I20 PolarHBondContact O-N 3.13Å; K18-I20 VanDerWaalsContact C-N 3.33Å; I20-R28 HydrophobicContact CG2-CB 3.96Å; I20-R29 WeakPolarHBondContact CA-O 3.45Å; I20-L30 HydrophobicContact CG1-CB 4.38Å; I20-L30 HydrophobicContact CG1-CD1 4.44Å; I20-L47 HydrophobicContact CD1-CD1 4.16Å; I20-L47 HydrophobicContact CD1-CD2 4.21Å; I20-L50 HydrophobicContact CD1-CD1 4.38Å; I20-L50 HydrophobicContact CG1-CD1 4.23Å
21	N	96.7	Very high	95.9	Very high	104 Å²	104	80.6 Å²	80.6	56%	0.556	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.5	168.9	-168.7	19.4	0	0	0	110	A19 R29	A19-N21 PolarHBondContact O-N 3.26Å; N21-R29 PolarHBondContact N-O 3.22Å; N21-R29 PolarHBondContact O-N 2.81Å
22	V	96.6	Very high	96.1	Very high	79 Å²	79	79.7 Å²	79.7	48%	0.479	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.6	169.9	-177.5	0	0	0	0	107.4	K27 R28	V22-K27 CarbonylContact C-O 3.55Å; V22-K27 VanDerWaalsContact CA-O 3.31Å; V22-K27 WeakPolarHBondContact CA-O 3.42Å; V22-R28 HydrophobicContact CG2-CG 4.46Å
23	T	92.9	Very high	96.1	Very high	25 Å²	25	77.8 Å²	77.8	15%	0.153	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-74.7	167.3	178.2	51.2	0	0	0	0	110.9	D25 G26 K27 R29	T23-D25 WeakPolarHBondContact CB-OD1 3.32Å; T23-D25 PolarHBondContact O-N 3.1Å; T23-D25 PolarHBondContact OG1-OD1 3.41Å; T23-G26 WeakPolarHBondContact O-CA 3.45Å; T23-G26 PolarHBondContact O-N 3.48Å; T23-K27 PolarHBondContact N-O 3.2Å; T23-K27 WeakPolarHBondContact OG1-CB 3.32Å; T23-K27 PolarHBondContact OG1-N 2.87Å; T23-K27 PolarHBondContact OG1-O 3.18Å; T23-K27 VanDerWaalsContact OG1-O 3.1Å; T23-R29 HydrophobicContact CG2-CB 4.28Å
24	Q	91.5	Very high	96	Very high	212 Å²	212	81 Å²	81	99%	0.991	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.9	-178.8	-69.2	175.8	-15.8	0	0	113.2	G26	Q24-G26 PolarHBondContact O-N 2.48Å
25	D	91.6	Very high	95.8	Very high	98 Å²	98	75.3 Å²	75.3	52%	0.524	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	12.5	173.6	64.7	-23.6	0	0	0	113.3	T23 K27	T23-D25 WeakPolarHBondContact CB-OD1 3.32Å; T23-D25 PolarHBondContact O-N 3.1Å; T23-D25 PolarHBondContact OG1-OD1 3.41Å; D25-K27 VanDerWaalsContact C-N 3.31Å; D25-K27 PolarHBondContact O-N 2.91Å; D25-K27 VanDerWaalsContact OD2-CD 3.28Å; D25-K27 WeakPolarHBondContact OD2-CD 3.47Å; D25-K27 WeakPolarHBondContact OD2-CE 3.16Å; D25-K27 IonicContact OD2-NZ 2.93Å; D25-K27 PolarHBondContact OD2-NZ 2.64Å
26	G	94.7	Very high	95.7	Very high	49 Å²	49	74.7 Å²	74.7	51%	0.505	39%	0.389	S	S	.	.	S	Bend	trans	80.6	1.7	174.1	0	0	0	0	0	115.5	T23 Q24	T23-G26 WeakPolarHBondContact O-CA 3.45Å; T23-G26 PolarHBondContact O-N 3.48Å; Q24-G26 PolarHBondContact O-N 2.48Å
27	K	96.3	Very high	95.6	Very high	58 Å²	58	74.8 Å²	74.8	25%	0.252	39%	0.389	S	S	.	.			trans	-76.6	142.3	-178.2	-63.2	178.3	-175.5	140.5	0	112.2	V22 T23 D25 R29 D51 E52	V22-K27 CarbonylContact C-O 3.55Å; V22-K27 VanDerWaalsContact CA-O 3.31Å; V22-K27 WeakPolarHBondContact CA-O 3.42Å; T23-K27 PolarHBondContact N-O 3.2Å; T23-K27 WeakPolarHBondContact OG1-CB 3.32Å; T23-K27 PolarHBondContact OG1-N 2.87Å; T23-K27 PolarHBondContact OG1-O 3.18Å; T23-K27 VanDerWaalsContact OG1-O 3.1Å; D25-K27 VanDerWaalsContact C-N 3.31Å; D25-K27 PolarHBondContact O-N 2.91Å; D25-K27 VanDerWaalsContact OD2-CD 3.28Å; D25-K27 WeakPolarHBondContact OD2-CD 3.47Å; D25-K27 WeakPolarHBondContact OD2-CE 3.16Å; D25-K27 IonicContact OD2-NZ 2.93Å; D25-K27 PolarHBondContact OD2-NZ 2.64Å; K27-R29 PolarHBondContact O-N 2.72Å; K27-D51 WeakPolarHBondContact CA-OD2 3.43Å; K27-D51 HydrophobicContact CB-CB 3.78Å; K27-D51 HydrophobicContact CD-CB 4.46Å; K27-D51 HydrophobicContact CG-CB 4.14Å; K27-E52 HydrophobicContact CD-CG 4.49Å; K27-E52 WeakPolarHBondContact CD-OE1 3.13Å
28	R	98.1	Very high	95.5	Very high	107 Å²	107	70.9 Å²	70.9	40%	0.404	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	103.6	178.3	-59.4	179	67.3	97.3	7.3	108.9	I20 V22 N49 L50 D51 E52	I20-R28 HydrophobicContact CG2-CB 3.96Å; V22-R28 HydrophobicContact CG2-CG 4.46Å; R28-N49 VanDerWaalsContact CD-O 3.28Å; R28-N49 WeakPolarHBondContact CD-O 3.32Å; R28-L50 HydrophobicContact CB-CD1 4.38Å; R28-L50 WeakPolarHBondContact O-CD1 3.31Å; R28-D51 PolarHBondContact N-OD2 2.98Å; R28-D51 PolarHBondContact O-N 2.77Å; R28-E52 PolarHBondContact O-N 2.86Å; R28-E52 VanDerWaalsContact O-N 3.1Å
29	R	98.4	Very high	95.5	Very high	92 Å²	92	66 Å²	66	35%	0.347	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.8	-178.5	-178.1	-178.4	-66.1	176.7	-0.6	111.2	I20 N21 T23 K27 I31 E52	I20-R29 WeakPolarHBondContact CA-O 3.45Å; N21-R29 PolarHBondContact N-O 3.22Å; N21-R29 PolarHBondContact O-N 2.81Å; T23-R29 HydrophobicContact CG2-CB 4.28Å; K27-R29 PolarHBondContact O-N 2.72Å; R29-I31 HydrophobicContact CG-CD1 4.48Å; R29-I31 HydrophobicContact CG-CG1 3.97Å; R29-E52 CarbonylContact C-O 3.52Å; R29-E52 WeakPolarHBondContact CA-O 3.17Å; R29-E52 HydrophobicContact CB-CB 4.11Å; R29-E52 HydrophobicContact CG-CB 4.01Å; R29-E52 IonicContact CZ-OE2 3.05Å; R29-E52 IonicContact NE-OE2 2.64Å; R29-E52 PolarHBondContact NE-OE2 3.18Å; R29-E52 IonicContact NH2-OE1 2.74Å; R29-E52 IonicContact NH2-OE2 2.69Å; R29-E52 PolarHBondContact NH2-OE2 2.78Å
30	L	98.3	Very high	95.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.5	172.2	178	59.2	0	0	0	109.9	A16 A19 I20 L32 L44 L47 L50 E52 L53 D54	A16-L30 HydrophobicContact CB-CD2 4.44Å; A19-L30 HydrophobicContact CB-CD1 3.66Å; I20-L30 HydrophobicContact CG1-CB 4.38Å; I20-L30 HydrophobicContact CG1-CD1 4.44Å; L30-L32 HydrophobicContact CD1-CD1 4.39Å; L30-L32 HydrophobicContact CD1-CD2 4.28Å; L30-L32 HydrophobicContact CD1-CG 4.1Å; L30-L32 HydrophobicContact CD2-CD1 3.9Å; L30-L32 HydrophobicContact CD2-CG 4.45Å; L30-L32 HydrophobicContact CG-CD1 3.96Å; L30-L32 HydrophobicContact CG-CG 3.97Å; L30-L44 HydrophobicContact CD2-CD2 3.47Å; L30-L44 VanDerWaalsContact CD2-CD2 3.47Å; L30-L47 HydrophobicContact CD2-CD1 3.87Å; L30-L50 HydrophobicContact CB-CD1 3.68Å; L30-L50 HydrophobicContact CB-CD2 3.98Å; L30-L50 HydrophobicContact CB-CG 4.45Å; L30-L50 HydrophobicContact CD2-CD2 4.34Å; L30-E52 PolarHBondContact N-O 2.99Å; L30-L53 HydrophobicContact CB-CD1 4.34Å; L30-L53 HydrophobicContact CD2-CD1 4.21Å; L30-L53 HydrophobicContact CG-CD1 4.3Å; L30-D54 PolarHBondContact O-N 2.86Å
31	I	97.8	Very high	95.4	Very high	102 Å²	102	63.2 Å²	63.2	52%	0.523	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.9	178.8	-54.5	-179	0	0	0	109.3	R29 D54	R29-I31 HydrophobicContact CG-CD1 4.48Å; R29-I31 HydrophobicContact CG-CG1 3.97Å; I31-D54 HydrophobicContact CG2-CB 4.38Å
32	L	96.9	Very high	95.3	Very high	11 Å²	11	65 Å²	65	6%	0.058	34%	0.34	C	S	.	.			trans	-131.8	27.4	179.9	-67.1	174.3	0	0	0	110.8	L11 L30 M35 F37 L44 D54 L55 N58	L11-L32 HydrophobicContact CD1-CD2 4.44Å; L11-L32 HydrophobicContact CD2-CD1 3.55Å; L11-L32 HydrophobicContact CD2-CD2 4.2Å; L30-L32 HydrophobicContact CD1-CD1 4.39Å; L30-L32 HydrophobicContact CD1-CD2 4.28Å; L30-L32 HydrophobicContact CD1-CG 4.1Å; L30-L32 HydrophobicContact CD2-CD1 3.9Å; L30-L32 HydrophobicContact CD2-CG 4.45Å; L30-L32 HydrophobicContact CG-CD1 3.96Å; L30-L32 HydrophobicContact CG-CG 3.97Å; L32-M35 HydrophobicContact CB-CG 4.4Å; L32-M35 WeakPolarHBondContact O-CG 3.31Å; L32-F37 HydrophobicContact CB-CE2 4.15Å; L32-F37 HydrophobicContact CD1-CE2 4.49Å; L32-F37 HydrophobicContact CD2-CE2 4.46Å; L32-L44 HydrophobicContact CD1-CD1 3.86Å; L32-L44 HydrophobicContact CD1-CD2 4.03Å; L32-D54 CarbonylContact C-O 3.58Å; L32-D54 WeakPolarHBondContact CA-O 3.47Å; L32-D54 WeakPolarHBondContact CB-O 3.26Å; L32-D54 PolarHBondContact N-O 3.25Å; L32-L55 HydrophobicContact CB-CD2 3.8Å; L32-L55 HydrophobicContact CD1-CD2 4Å; L32-N58 PolarHBondContact O-ND2 2.83Å
33	S	94.7	Very high	95.2	Very high	26 Å²	26	61.8 Å²	61.8	18%	0.182	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	144	177.8	-171.9	0	0	0	0	111.7	M35 S56	S33-M35 VanDerWaalsContact C-N 3.27Å; S33-M35 WeakPolarHBondContact O-CE 3.17Å; S33-M35 PolarHBondContact O-N 3.05Å; S33-S56 CarbonylContact C-O 3.59Å; S33-S56 WeakPolarHBondContact CA-O 3.36Å; S33-S56 WeakPolarHBondContact CB-OG 3.48Å; S33-S56 PolarHBondContact OG-O 2.95Å; S33-S56 PolarHBondContact OG-OG 2.89Å
34	N	94.1	Very high	95.4	Very high	116 Å²	116	60.7 Å²	60.7	62%	0.62	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	39.8	175.3	-165.2	30.5	0	0	0	114.2	S56 R57	N34-S56 PolarHBondContact N-O 2.59Å; N34-R57 VanDerWaalsContact CA-O 3.27Å; N34-R57 WeakPolarHBondContact CA-O 3.12Å; N34-R57 HydrophobicContact CB-CB 4.07Å
35	M	93	Very high	95.7	Very high	63 Å²	63	51.7 Å²	51.7	31%	0.31	27%	0.272	S	S	.	.	S	Bend	trans	-95.8	-8.1	-179	-70.1	-65.6	113.1	0	0	113	R9 L32 S33 F37 N58	R9-M35 WeakPolarHBondContact CD-O 3.27Å; R9-M35 PolarHBondContact NH1-O 3.07Å; R9-M35 PolarHBondContact NH1-SD 2.91Å; L32-M35 HydrophobicContact CB-CG 4.4Å; L32-M35 WeakPolarHBondContact O-CG 3.31Å; S33-M35 VanDerWaalsContact C-N 3.27Å; S33-M35 WeakPolarHBondContact O-CE 3.17Å; S33-M35 PolarHBondContact O-N 3.05Å; M35-F37 HydrophobicContact CB-CD2 3.6Å; M35-F37 HydrophobicContact CB-CE2 3.33Å; M35-F37 HydrophobicContact CB-CG 4.45Å; M35-F37 HydrophobicContact CB-CZ 4.01Å; M35-F37 HydrophobicContact CG-CE2 3.91Å; M35-N58 WeakPolarHBondContact CA-OD1 3.36Å; M35-N58 PolarHBondContact N-OD1 3.09Å
36	G	93.3	Very high	95.9	Very high	31 Å²	31	54.4 Å²	54.4	32%	0.32	28%	0.279	S	S	.	.			trans	75	26	-178	0	0	0	0	0	113.8	T38 N58	G36-T38 PolarHBondContact O-N 2.91Å; G36-N58 PolarHBondContact N-OD1 3.43Å
37	F	94.6	Very high	96	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	26%	0.259	C	S	.	.			trans	-69.8	121.2	172.6	-66.8	-59.8	0	0	0	110.4	R9 L11 L32 M35 P41 L55 N58 Q59 I60	R9-F37 HydrophobicContact CB-CD1 4.08Å; R9-F37 HydrophobicContact CB-CE1 4.06Å; R9-F37 HydrophobicContact CG-CE1 4.21Å; R9-F37 WeakPolarHBondContact O-CD1 3.19Å; R9-F37 WeakPolarHBondContact O-CE1 3.17Å; L11-F37 HydrophobicContact CB-CE1 4.01Å; L11-F37 HydrophobicContact CB-CZ 3.92Å; L11-F37 HydrophobicContact CD2-CZ 4.39Å; L32-F37 HydrophobicContact CB-CE2 4.15Å; L32-F37 HydrophobicContact CD1-CE2 4.49Å; L32-F37 HydrophobicContact CD2-CE2 4.46Å; M35-F37 HydrophobicContact CB-CD2 3.6Å; M35-F37 HydrophobicContact CB-CE2 3.33Å; M35-F37 HydrophobicContact CB-CG 4.45Å; M35-F37 HydrophobicContact CB-CZ 4.01Å; M35-F37 HydrophobicContact CG-CE2 3.91Å; F37-P41 HydrophobicContact CD1-CG 3.74Å; F37-P41 HydrophobicContact CD2-CG 4.16Å; F37-P41 HydrophobicContact CE1-CG 3.82Å; F37-P41 HydrophobicContact CE2-CG 4.22Å; F37-P41 HydrophobicContact CG-CG 3.94Å; F37-P41 HydrophobicContact CZ-CG 4.07Å; F37-L55 HydrophobicContact CD2-CD2 4.35Å; F37-N58 HydrophobicContact CB-CB 4.27Å; F37-N58 PolarHBondContact N-OD1 3.22Å; F37-Q59 CarbonylContact O-C 3.37Å; F37-Q59 WeakPolarHBondContact O-CA 3.27Å; F37-Q59 PolarHBondContact O-N 3.13Å; F37-I60 HydrophobicContact CB-CD1 4.37Å; F37-I60 HydrophobicContact CB-CG1 4.08Å; F37-I60 PolarHBondContact O-N 2.91Å
38	T	95.2	Very high	96	Very high	42 Å²	42	57.8 Å²	57.8	26%	0.258	28%	0.276	S	S	.	.	S	Bend	trans	-92.4	-21.8	170.5	55.1	0	0	0	0	112.6	S8 G36 Q59	S8-T38 WeakPolarHBondContact CB-OG1 3.21Å; G36-T38 PolarHBondContact O-N 2.91Å; T38-Q59 WeakPolarHBondContact CA-O 3.33Å; T38-Q59 HydrophobicContact CG2-CB 3.98Å
39	I	95.6	Very high	95.9	Very high	88 Å²	88	58 Å²	58	45%	0.451	29%	0.285	S	S	.	.	S	Bend	trans	-124.9	138.1	179	-58.8	174.3	0	0	0	107.9	P41	I39-P41 WeakPolarHBondContact O-CD 3.1Å
40	F	96.6	Very high	95.9	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.031	27%	0.269	C	S	.	.			trans	-55.6	125.5	174.2	-177.5	-83.4	0	0	0	111.1	K42 L44 L45 L55 I60 L63 P64 I67	F40-K42 PolarHBondContact O-N 3.37Å; F40-L44 HydrophobicContact CE1-CB 4.21Å; F40-L44 HydrophobicContact CZ-CB 4.15Å; F40-L44 HydrophobicContact CZ-CD1 4.26Å; F40-L45 HydrophobicContact CE1-CD2 3.95Å; F40-L45 HydrophobicContact CE1-CG 4.02Å; F40-L45 HydrophobicContact CZ-CD2 4.23Å; F40-L55 HydrophobicContact CD2-CD1 3.87Å; F40-L55 HydrophobicContact CE2-CD1 3.49Å; F40-L55 VanDerWaalsContact CE2-CD1 3.49Å; F40-L55 HydrophobicContact CZ-CD1 4.4Å; F40-I60 HydrophobicContact CB-CG2 4.17Å; F40-L63 HydrophobicContact CD2-CD2 3.91Å; F40-L63 HydrophobicContact CE2-CD2 4.36Å; F40-P64 HydrophobicContact CD1-CG 3.61Å; F40-P64 HydrophobicContact CE1-CG 3.78Å; F40-P64 VanDerWaalsContact CG-CD 3.5Å; F40-P64 HydrophobicContact CG-CG 4.06Å; F40-P64 HydrophobicContact CZ-CG 4.33Å; F40-I67 HydrophobicContact CE2-CD1 3.78Å; F40-I67 HydrophobicContact CZ-CD1 3.65Å
41	P	95.9	Very high	95.9	Very high	14 Å²	14	55 Å²	55	9%	0.091	28%	0.276	C	S	.	.			trans	-70.5	92.6	178.3	-17.8	31.5	0	0	0	111.9	L11 F37 I39 C43 L44	L11-P41 HydrophobicContact CB-CB 4Å; L11-P41 HydrophobicContact CB-CG 4.38Å; L11-P41 HydrophobicContact CD2-CB 4.16Å; L11-P41 HydrophobicContact CD2-CG 4.45Å; F37-P41 HydrophobicContact CD1-CG 3.74Å; F37-P41 HydrophobicContact CD2-CG 4.16Å; F37-P41 HydrophobicContact CE1-CG 3.82Å; F37-P41 HydrophobicContact CE2-CG 4.22Å; F37-P41 HydrophobicContact CG-CG 3.94Å; F37-P41 HydrophobicContact CZ-CG 4.07Å; I39-P41 WeakPolarHBondContact O-CD 3.1Å; P41-C43 PolarHBondContact O-N 2.97Å; P41-L44 HydrophobicContact CB-CD1 4.09Å; P41-L44 HydrophobicContact CB-CG 4.15Å; P41-L44 HydrophobicContact CG-CD1 4.23Å; P41-L44 WeakPolarHBondContact O-CB 3.5Å; P41-L44 VanDerWaalsContact O-CG 3.27Å; P41-L44 WeakPolarHBondContact O-CG 3.42Å; P41-L44 PolarHBondContact O-N 3.14Å
42	K	95	Very high	95.9	Very high	143 Å²	143	50.6 Å²	50.6	62%	0.622	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-54	-20.1	-176.5	-64.7	-170.9	-175.5	-173.6	0	115.1	F40 L44 L45	F40-K42 PolarHBondContact O-N 3.37Å; K42-L44 PolarHBondContact O-N 3.38Å; K42-L45 HydrophobicContact CB-CD1 4.32Å; K42-L45 WeakPolarHBondContact O-CB 3.28Å; K42-L45 WeakPolarHBondContact O-CG 3.26Å; K42-L45 PolarHBondContact O-N 2.69Å
43	C	95.1	Very high	96	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.074	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.8	-25.2	173.9	70.7	0	0	0	0	113.4	L11 L13 P41 L45 K46	L11-C43 PolarHBondContact O-SG 3.29Å; L11-C43 VanDerWaalsContact O-SG 3.38Å; L13-C43 HydrophobicContact CB-CB 4.31Å; P41-C43 PolarHBondContact O-N 2.97Å; C43-L45 PolarHBondContact O-N 3.38Å; C43-K46 WeakPolarHBondContact O-CB 3.33Å; C43-K46 PolarHBondContact O-N 2.68Å; C43-K46 VanDerWaalsContact O-N 3.15Å
44	L	97.1	Very high	96.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28	177	-62.9	178.5	0	0	0	112.5	L11 A16 L30 L32 F40 P41 K42 K46 L47 L53 L55	L11-L44 HydrophobicContact CD2-CD1 4.48Å; L11-L44 HydrophobicContact CD2-CD2 3.7Å; L11-L44 HydrophobicContact CD2-CG 4.21Å; A16-L44 HydrophobicContact CB-CD2 3.92Å; L30-L44 HydrophobicContact CD2-CD2 3.47Å; L30-L44 VanDerWaalsContact CD2-CD2 3.47Å; L32-L44 HydrophobicContact CD1-CD1 3.86Å; L32-L44 HydrophobicContact CD1-CD2 4.03Å; F40-L44 HydrophobicContact CE1-CB 4.21Å; F40-L44 HydrophobicContact CZ-CB 4.15Å; F40-L44 HydrophobicContact CZ-CD1 4.26Å; P41-L44 HydrophobicContact CB-CD1 4.09Å; P41-L44 HydrophobicContact CB-CG 4.15Å; P41-L44 HydrophobicContact CG-CD1 4.23Å; P41-L44 WeakPolarHBondContact O-CB 3.5Å; P41-L44 VanDerWaalsContact O-CG 3.27Å; P41-L44 WeakPolarHBondContact O-CG 3.42Å; P41-L44 PolarHBondContact O-N 3.14Å; K42-L44 PolarHBondContact O-N 3.38Å; L44-K46 PolarHBondContact O-N 2.71Å; L44-L47 HydrophobicContact CD2-CD1 3.89Å; L44-L47 WeakPolarHBondContact O-CB 3.28Å; L44-L47 PolarHBondContact O-N 3.36Å; L44-L53 HydrophobicContact CD1-CD1 4.29Å; L44-L55 HydrophobicContact CD1-CD1 4.24Å; L44-L55 HydrophobicContact CD1-CD2 4.21Å
45	L	97.1	Very high	96.4	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.126	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-62.9	-12.9	176.6	-56.4	172.5	0	0	0	113.3	F40 K42 C43 L47 P64 T66 I67	F40-L45 HydrophobicContact CE1-CD2 3.95Å; F40-L45 HydrophobicContact CE1-CG 4.02Å; F40-L45 HydrophobicContact CZ-CD2 4.23Å; K42-L45 HydrophobicContact CB-CD1 4.32Å; K42-L45 WeakPolarHBondContact O-CB 3.28Å; K42-L45 WeakPolarHBondContact O-CG 3.26Å; K42-L45 PolarHBondContact O-N 2.69Å; C43-L45 PolarHBondContact O-N 3.38Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-P64 HydrophobicContact CD1-CB 4.19Å; L45-P64 HydrophobicContact CD1-CG 4Å; L45-P64 HydrophobicContact CD2-CG 3.95Å; L45-P64 HydrophobicContact CG-CG 4.42Å; L45-T66 VanDerWaalsContact CD1-OG1 3.27Å; L45-T66 WeakPolarHBondContact CD1-OG1 3.22Å; L45-I67 HydrophobicContact CD2-CD1 4.22Å
46	K	97.1	Very high	96.5	Very high	155 Å²	155	42.5 Å²	42.5	67%	0.674	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-85.2	-7.4	174	-60	-175.6	174.8	-168.9	0	113.1	L13 C43 L44 R48	L13-K46 HydrophobicContact CD1-CB 4.14Å; L13-K46 HydrophobicContact CD2-CB 4.4Å; L13-K46 HydrophobicContact CD2-CD 3.95Å; C43-K46 WeakPolarHBondContact O-CB 3.33Å; C43-K46 PolarHBondContact O-N 2.68Å; C43-K46 VanDerWaalsContact O-N 3.15Å; L44-K46 PolarHBondContact O-N 2.71Å; K46-R48 PolarHBondContact O-N 3.4Å
47	L	96.5	Very high	96.5	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	22%	0.222	C	C	.	.			trans	-96	61.4	-178	-55.6	177.7	0	0	0	110.4	L13 A16 K17 I20 L30 L44 L45 N49 L50	L13-L47 HydrophobicContact CD1-CD2 3.71Å; L13-L47 HydrophobicContact CD1-CG 4.19Å; A16-L47 HydrophobicContact CB-CD1 4.13Å; K17-L47 HydrophobicContact CG-CD2 3.78Å; I20-L47 HydrophobicContact CD1-CD1 4.16Å; I20-L47 HydrophobicContact CD1-CD2 4.21Å; L30-L47 HydrophobicContact CD2-CD1 3.87Å; L44-L47 HydrophobicContact CD2-CD1 3.89Å; L44-L47 WeakPolarHBondContact O-CB 3.28Å; L44-L47 PolarHBondContact O-N 3.36Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L47-N49 PolarHBondContact O-N 3.03Å; L47-N49 VanDerWaalsContact O-N 3.09Å; L47-L50 HydrophobicContact CB-CB 4.32Å; L47-L50 VanDerWaalsContact O-CB 3.26Å; L47-L50 WeakPolarHBondContact O-CB 3.25Å; L47-L50 PolarHBondContact O-N 3.1Å
48	R	94.9	Very high	96.5	Very high	164 Å²	164	48.5 Å²	48.5	62%	0.619	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.4	-171.9	-64.4	-175.3	179.1	173.1	-1.8	115.1	K46 S72	K46-R48 PolarHBondContact O-N 3.4Å; R48-S72 WeakPolarHBondContact O-CB 3.46Å; R48-S72 PolarHBondContact O-OG 2.91Å
49	N	96.3	Very high	96.6	Very high	111 Å²	111	50.4 Å²	50.4	59%	0.594	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	17.2	179.4	-56.3	5.9	0	0	0	111.6	R28 L47	R28-N49 VanDerWaalsContact CD-O 3.28Å; R28-N49 WeakPolarHBondContact CD-O 3.32Å; L47-N49 PolarHBondContact O-N 3.03Å; L47-N49 VanDerWaalsContact O-N 3.09Å
50	L	98.1	Very high	96.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	21%	0.208	C	C	.	.			trans	-79.5	126.8	177.7	-167.6	73.1	0	0	0	109.5	I20 R28 L30 L47 L53 S72 L73	I20-L50 HydrophobicContact CD1-CD1 4.38Å; I20-L50 HydrophobicContact CG1-CD1 4.23Å; R28-L50 HydrophobicContact CB-CD1 4.38Å; R28-L50 WeakPolarHBondContact O-CD1 3.31Å; L30-L50 HydrophobicContact CB-CD1 3.68Å; L30-L50 HydrophobicContact CB-CD2 3.98Å; L30-L50 HydrophobicContact CB-CG 4.45Å; L30-L50 HydrophobicContact CD2-CD2 4.34Å; L47-L50 HydrophobicContact CB-CB 4.32Å; L47-L50 VanDerWaalsContact O-CB 3.26Å; L47-L50 WeakPolarHBondContact O-CB 3.25Å; L47-L50 PolarHBondContact O-N 3.1Å; L50-L53 HydrophobicContact CD2-CB 3.79Å; L50-L53 HydrophobicContact CD2-CD1 3.95Å; L50-L53 HydrophobicContact CD2-CD2 4.47Å; L50-L53 HydrophobicContact CD2-CG 4.28Å; L50-S72 CarbonylContact O-C 3.55Å; L50-L73 HydrophobicContact CB-CD1 4.47Å; L50-L73 HydrophobicContact CD2-CD1 4.32Å; L50-L73 HydrophobicContact CG-CD1 4.32Å; L50-L73 WeakPolarHBondContact O-CA 3.48Å; L50-L73 WeakPolarHBondContact O-CD1 3.41Å; L50-L73 PolarHBondContact O-N 2.87Å
51	D	98.6	Very high	96.7	Very high	26 Å²	26	50.5 Å²	50.5	14%	0.139	23%	0.228	C	C	.	.	S	Bend	trans	-88.7	-35.6	178.4	-63.3	-87.2	0	0	0	111.5	K27 R28 R74 R75	K27-D51 WeakPolarHBondContact CA-OD2 3.43Å; K27-D51 HydrophobicContact CB-CB 3.78Å; K27-D51 HydrophobicContact CD-CB 4.46Å; K27-D51 HydrophobicContact CG-CB 4.14Å; R28-D51 PolarHBondContact N-OD2 2.98Å; R28-D51 PolarHBondContact O-N 2.77Å; D51-R74 WeakPolarHBondContact O-CA 3.16Å; D51-R74 PolarHBondContact O-N 3.31Å; D51-R74 IonicContact OD1-NE 3.55Å; D51-R75 PolarHBondContact O-N 2.87Å; D51-R75 VanDerWaalsContact O-N 3.1Å
52	E	98.7	Very high	96.8	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.1	-173.3	-55.1	-172.5	173.7	0	0	111.2	K27 R28 R29 L30 R75	K27-E52 HydrophobicContact CD-CG 4.49Å; K27-E52 WeakPolarHBondContact CD-OE1 3.13Å; R28-E52 PolarHBondContact O-N 2.86Å; R28-E52 VanDerWaalsContact O-N 3.1Å; R29-E52 CarbonylContact C-O 3.52Å; R29-E52 WeakPolarHBondContact CA-O 3.17Å; R29-E52 HydrophobicContact CB-CB 4.11Å; R29-E52 HydrophobicContact CG-CB 4.01Å; R29-E52 IonicContact CZ-OE2 3.05Å; R29-E52 IonicContact NE-OE2 2.64Å; R29-E52 PolarHBondContact NE-OE2 3.18Å; R29-E52 IonicContact NH2-OE1 2.74Å; R29-E52 IonicContact NH2-OE2 2.69Å; R29-E52 PolarHBondContact NH2-OE2 2.78Å; L30-E52 PolarHBondContact N-O 2.99Å; E52-R75 WeakPolarHBondContact CA-O 3.38Å; E52-R75 HydrophobicContact CB-CB 4.2Å; E52-R75 VanDerWaalsContact CD-CD 3.49Å; E52-R75 HydrophobicContact CG-CB 3.93Å; E52-R75 HydrophobicContact CG-CG 3.92Å; E52-R75 VanDerWaalsContact OE1-CD 3.26Å; E52-R75 WeakPolarHBondContact OE1-CD 3.41Å
53	L	98.7	Very high	96.9	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.7	-179.9	-179.7	58.1	0	0	0	110	L30 L44 L50 L55 L70 L73 R75 L76 D77	L30-L53 HydrophobicContact CB-CD1 4.34Å; L30-L53 HydrophobicContact CD2-CD1 4.21Å; L30-L53 HydrophobicContact CG-CD1 4.3Å; L44-L53 HydrophobicContact CD1-CD1 4.29Å; L50-L53 HydrophobicContact CD2-CB 3.79Å; L50-L53 HydrophobicContact CD2-CD1 3.95Å; L50-L53 HydrophobicContact CD2-CD2 4.47Å; L50-L53 HydrophobicContact CD2-CG 4.28Å; L53-L55 HydrophobicContact CD1-CD1 4.27Å; L53-L55 HydrophobicContact CD1-CG 4.04Å; L53-L55 HydrophobicContact CD2-CD1 3.81Å; L53-L55 HydrophobicContact CD2-CG 4.42Å; L53-L55 HydrophobicContact CG-CD1 4.02Å; L53-L55 HydrophobicContact CG-CG 4.09Å; L53-L70 HydrophobicContact CD2-CD1 4.3Å; L53-L73 HydrophobicContact CB-CD1 3.78Å; L53-L73 HydrophobicContact CB-CD2 4.41Å; L53-R75 PolarHBondContact N-O 3.16Å; L53-L76 HydrophobicContact CB-CD1 4.15Å; L53-L76 HydrophobicContact CD2-CD1 4.09Å; L53-L76 HydrophobicContact CG-CD1 4.18Å; L53-L76 WeakPolarHBondContact O-CA 3.16Å; L53-D77 PolarHBondContact O-N 2.96Å
54	D	98.6	Very high	97	Very high	37 Å²	37	50.6 Å²	50.6	20%	0.198	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.9	172	176.8	5.2	0	0	0	109.6	L30 I31 L32 S56 D77	L30-D54 PolarHBondContact O-N 2.86Å; I31-D54 HydrophobicContact CG2-CB 4.38Å; L32-D54 CarbonylContact C-O 3.58Å; L32-D54 WeakPolarHBondContact CA-O 3.47Å; L32-D54 WeakPolarHBondContact CB-O 3.26Å; L32-D54 PolarHBondContact N-O 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.27Å; D54-S56 PolarHBondContact OD1-N 2.79Å; D54-S56 PolarHBondContact OD1-OG 2.85Å; D54-D77 HydrophobicContact CB-CB 4.4Å
55	L	98.1	Very high	97	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.257	C	S	.	.			trans	-118.1	21.2	174.1	-77.5	168	0	0	0	111.1	L32 F37 F40 L44 L53 N58 I60 D77 L78 N81	L32-L55 HydrophobicContact CB-CD2 3.8Å; L32-L55 HydrophobicContact CD1-CD2 4Å; F37-L55 HydrophobicContact CD2-CD2 4.35Å; F40-L55 HydrophobicContact CD2-CD1 3.87Å; F40-L55 HydrophobicContact CE2-CD1 3.49Å; F40-L55 VanDerWaalsContact CE2-CD1 3.49Å; F40-L55 HydrophobicContact CZ-CD1 4.4Å; L44-L55 HydrophobicContact CD1-CD1 4.24Å; L44-L55 HydrophobicContact CD1-CD2 4.21Å; L53-L55 HydrophobicContact CD1-CD1 4.27Å; L53-L55 HydrophobicContact CD1-CG 4.04Å; L53-L55 HydrophobicContact CD2-CD1 3.81Å; L53-L55 HydrophobicContact CD2-CG 4.42Å; L53-L55 HydrophobicContact CG-CD1 4.02Å; L53-L55 HydrophobicContact CG-CG 4.09Å; L55-N58 PolarHBondContact O-ND2 2.92Å; L55-I60 HydrophobicContact CB-CD1 4.19Å; L55-I60 HydrophobicContact CD1-CD1 4.3Å; L55-I60 HydrophobicContact CD2-CD1 4.24Å; L55-I60 HydrophobicContact CG-CD1 4.5Å; L55-D77 PolarHBondContact N-O 3.32Å; L55-L78 HydrophobicContact CB-CD2 3.82Å; L55-L78 HydrophobicContact CD1-CD2 4.2Å; L55-N81 PolarHBondContact O-ND2 2.91Å
56	S	95.2	Very high	97	Very high	5 Å²	5	59 Å²	59	4%	0.035	27%	0.271	C	S	.	.			trans	-63.4	162.7	-177.6	63	0	0	0	0	113.6	S33 N34 D54 N58 D77 H79	S33-S56 CarbonylContact C-O 3.59Å; S33-S56 WeakPolarHBondContact CA-O 3.36Å; S33-S56 WeakPolarHBondContact CB-OG 3.48Å; S33-S56 PolarHBondContact OG-O 2.95Å; S33-S56 PolarHBondContact OG-OG 2.89Å; N34-S56 PolarHBondContact N-O 2.59Å; D54-S56 WeakPolarHBondContact OD1-CB 3.27Å; D54-S56 PolarHBondContact OD1-N 2.79Å; D54-S56 PolarHBondContact OD1-OG 2.85Å; S56-N58 PolarHBondContact O-N 3.45Å; S56-N58 VanDerWaalsContact O-N 3.14Å; S56-N58 PolarHBondContact O-ND2 3.06Å; S56-D77 PolarHBondContact N-O 2.94Å; S56-H79 CarbonylContact C-O 3.46Å; S56-H79 WeakPolarHBondContact CA-O 3.06Å; S56-H79 WeakPolarHBondContact CB-CD2 3.47Å; S56-H79 WeakPolarHBondContact CB-O 3.41Å
57	R	93.1	Very high	97.1	Very high	151 Å²	151	51.6 Å²	51.6	57%	0.57	24%	0.239	S	C	*	.	S	Bend	trans	54.7	35.5	175.7	-56.4	177	179.3	-95.8	0.3	112.8	N34 H79 S80	N34-R57 VanDerWaalsContact CA-O 3.27Å; N34-R57 WeakPolarHBondContact CA-O 3.12Å; N34-R57 HydrophobicContact CB-CB 4.07Å; R57-H79 PolarHBondContact N-O 2.95Å; R57-S80 CarbonylContact C-O 3.28Å; R57-S80 WeakPolarHBondContact CA-O 3.16Å; R57-S80 PolarHBondContact N-O 3.12Å
58	N	95.4	Very high	97.1	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.048	24%	0.239	C	C	.	.	S	Bend	trans	-107.7	-162.9	173.9	-79.2	-71.8	0	0	0	109.3	L32 M35 G36 F37 L55 S56 I60 S80 N81	L32-N58 PolarHBondContact O-ND2 2.83Å; M35-N58 WeakPolarHBondContact CA-OD1 3.36Å; M35-N58 PolarHBondContact N-OD1 3.09Å; G36-N58 PolarHBondContact N-OD1 3.43Å; F37-N58 HydrophobicContact CB-CB 4.27Å; F37-N58 PolarHBondContact N-OD1 3.22Å; L55-N58 PolarHBondContact O-ND2 2.92Å; S56-N58 PolarHBondContact O-N 3.45Å; S56-N58 VanDerWaalsContact O-N 3.14Å; S56-N58 PolarHBondContact O-ND2 3.06Å; N58-I60 HydrophobicContact CB-CD1 4.29Å; N58-I60 HydrophobicContact CB-CG1 4.11Å; N58-S80 PolarHBondContact N-O 2.71Å; N58-S80 VanDerWaalsContact N-O 3.13Å; N58-S80 VanDerWaalsContact O-O 3.06Å; N58-N81 WeakPolarHBondContact CA-OD1 3.35Å; N58-N81 WeakPolarHBondContact CB-OD1 3.38Å; N58-N81 PolarHBondContact O-OD1 3.31Å
59	Q	96.9	Very high	97.2	Very high	82 Å²	82	45.8 Å²	45.8	38%	0.383	22%	0.224	S	C	.	.			trans	-127.1	28.2	179.2	-59.9	-175.5	55.3	0	0	111	F37 T38 Q61 N81 K82	F37-Q59 CarbonylContact O-C 3.37Å; F37-Q59 WeakPolarHBondContact O-CA 3.27Å; F37-Q59 PolarHBondContact O-N 3.13Å; T38-Q59 WeakPolarHBondContact CA-O 3.33Å; T38-Q59 HydrophobicContact CG2-CB 3.98Å; Q59-Q61 PolarHBondContact O-N 3.24Å; Q59-N81 PolarHBondContact N-OD1 3.31Å; Q59-K82 HydrophobicContact CB-CD 4.24Å
60	I	97.3	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.			trans	-67.2	125	-175.6	-60.2	171.4	0	0	0	108.5	F37 F40 L55 N58 K62 N81 K82 L83	F37-I60 HydrophobicContact CB-CD1 4.37Å; F37-I60 HydrophobicContact CB-CG1 4.08Å; F37-I60 PolarHBondContact O-N 2.91Å; F40-I60 HydrophobicContact CB-CG2 4.17Å; L55-I60 HydrophobicContact CB-CD1 4.19Å; L55-I60 HydrophobicContact CD1-CD1 4.3Å; L55-I60 HydrophobicContact CD2-CD1 4.24Å; L55-I60 HydrophobicContact CG-CD1 4.5Å; N58-I60 HydrophobicContact CB-CD1 4.29Å; N58-I60 HydrophobicContact CB-CG1 4.11Å; I60-K62 WeakPolarHBondContact CG2-O 3.34Å; I60-N81 WeakPolarHBondContact CB-OD1 3.4Å; I60-N81 PolarHBondContact N-OD1 2.81Å; I60-K82 CarbonylContact O-C 3.55Å; I60-K82 VanDerWaalsContact O-C 3.28Å; I60-K82 WeakPolarHBondContact O-CA 3.33Å; I60-K82 PolarHBondContact O-N 3.45Å; I60-L83 HydrophobicContact CG2-CD2 3.99Å; I60-L83 PolarHBondContact O-N 3.38Å
61	Q	96.9	Very high	97.3	Very high	96 Å²	96	45.3 Å²	45.3	45%	0.449	22%	0.216	S	C	.	.			trans	-92.9	-31.5	-178.4	-64.2	173.7	23.7	0	0	113.1	Q59 K82 L83	Q59-Q61 PolarHBondContact O-N 3.24Å; Q61-K82 WeakPolarHBondContact CA-O 3.06Å; Q61-K82 HydrophobicContact CG-CB 4.06Å; Q61-L83 WeakPolarHBondContact O-CA 3.21Å
62	K	97.7	Very high	97.2	Very high	140 Å²	140	46 Å²	46	61%	0.609	22%	0.223	S	C	*	.			trans	-142	138.8	-177.3	-62.2	-171.7	179.5	-172.7	0	111	I60	I60-K62 WeakPolarHBondContact CG2-O 3.34Å
63	L	98.4	Very high	97.2	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.068	22%	0.22	C	C	.	.			trans	-82.1	151.6	164.4	-61.7	177.9	0	0	0	109.7	F40 L78 L83 V86 P87	F40-L63 HydrophobicContact CD2-CD2 3.91Å; F40-L63 HydrophobicContact CE2-CD2 4.36Å; L63-L78 HydrophobicContact CD1-CD1 3.71Å; L63-L78 HydrophobicContact CD2-CD1 3.88Å; L63-L78 HydrophobicContact CD2-CD2 3.91Å; L63-L78 HydrophobicContact CG-CD1 4.34Å; L63-L83 HydrophobicContact CD1-CD1 4.42Å; L63-L83 HydrophobicContact CD2-CD2 4.25Å; L63-L83 HydrophobicContact CG-CD1 4.29Å; L63-L83 HydrophobicContact CG-CD2 3.98Å; L63-V86 HydrophobicContact CD1-CG1 4.49Å; L63-P87 HydrophobicContact CB-CG 3.95Å
64	P	97.4	Very high	97.2	Very high	17 Å²	17	49.3 Å²	49.3	11%	0.11	23%	0.234	C	C	.	.			trans	-73.9	145.7	174.3	30.9	-34.3	0	0	0	111	F40 L45 T66 I67	F40-P64 HydrophobicContact CD1-CG 3.61Å; F40-P64 HydrophobicContact CE1-CG 3.78Å; F40-P64 VanDerWaalsContact CG-CD 3.5Å; F40-P64 HydrophobicContact CG-CG 4.06Å; F40-P64 HydrophobicContact CZ-CG 4.33Å; L45-P64 HydrophobicContact CD1-CB 4.19Å; L45-P64 HydrophobicContact CD1-CG 4Å; L45-P64 HydrophobicContact CD2-CG 3.95Å; L45-P64 HydrophobicContact CG-CG 4.42Å; P64-T66 PolarHBondContact O-N 3.29Å; P64-I67 HydrophobicContact CG-CB 4.34Å; P64-I67 PolarHBondContact O-N 3.49Å
65	E	96.7	Very high	97.2	Very high	132 Å²	132	52.1 Å²	52.1	62%	0.617	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-1.4	171.7	-66.1	-55.9	148	0	0	115	P87 S89	E65-P87 WeakPolarHBondContact OE2-CB 3.32Å; E65-S89 WeakPolarHBondContact O-CB 3.42Å; E65-S89 PolarHBondContact O-OG 3.39Å
66	T	97.4	Very high	97.3	Very high	70 Å²	70	52.1 Å²	52.1	43%	0.429	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	11.7	-179.8	42.2	0	0	0	0	112	L45 P64 G68 T69	L45-T66 VanDerWaalsContact CD1-OG1 3.27Å; L45-T66 WeakPolarHBondContact CD1-OG1 3.22Å; P64-T66 PolarHBondContact O-N 3.29Å; T66-G68 PolarHBondContact O-N 2.96Å; T66-T69 WeakPolarHBondContact O-CB 3.42Å; T66-T69 VanDerWaalsContact O-CG2 3.3Å; T66-T69 WeakPolarHBondContact O-CG2 3.36Å; T66-T69 PolarHBondContact O-N 2.91Å; T66-T69 PolarHBondContact O-OG1 3.2Å
67	I	98.1	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.9	-34.7	177.6	-168.5	66.5	0	0	0	111.2	F40 L45 P64 T69 L70 P87 S89 I90 L93	F40-I67 HydrophobicContact CE2-CD1 3.78Å; F40-I67 HydrophobicContact CZ-CD1 3.65Å; L45-I67 HydrophobicContact CD2-CD1 4.22Å; P64-I67 HydrophobicContact CG-CB 4.34Å; P64-I67 PolarHBondContact O-N 3.49Å; I67-T69 PolarHBondContact O-N 3.35Å; I67-L70 HydrophobicContact CD1-CD1 3.81Å; I67-L70 PolarHBondContact O-N 3.35Å; I67-L70 VanDerWaalsContact O-N 3.11Å; I67-P87 HydrophobicContact CG2-CG 3.72Å; I67-S89 WeakPolarHBondContact CG2-OG 3.32Å; I67-I90 HydrophobicContact CG2-CD1 4.27Å; I67-L93 WeakPolarHBondContact O-CD2 3.5Å
68	G	97.2	Very high	97.7	Very high	6 Å²	6	46 Å²	46	6%	0.062	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.4	-6.3	174.6	0	0	0	0	0	116.4	T66 L70 K71 S89	T66-G68 PolarHBondContact O-N 2.96Å; G68-L70 VanDerWaalsContact C-N 3.28Å; G68-K71 WeakPolarHBondContact O-CD 3.33Å; G68-K71 WeakPolarHBondContact O-CE 3.4Å; G68-K71 PolarHBondContact O-NZ 3.02Å; G68-S89 WeakPolarHBondContact CA-O 3.39Å; G68-S89 PolarHBondContact N-O 2.98Å
69	T	97.6	Very high	97.7	Very high	49 Å²	49	47.3 Å²	47.3	30%	0.301	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-76.1	-14.4	173.5	61.9	0	0	0	0	113.3	T66 I67 K71	T66-T69 WeakPolarHBondContact O-CB 3.42Å; T66-T69 VanDerWaalsContact O-CG2 3.3Å; T66-T69 WeakPolarHBondContact O-CG2 3.36Å; T66-T69 PolarHBondContact O-N 2.91Å; T66-T69 PolarHBondContact O-OG1 3.2Å; I67-T69 PolarHBondContact O-N 3.35Å; T69-K71 PolarHBondContact O-N 2.79Å
70	L	97.9	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.			trans	-81.4	60.1	176.1	-59.6	-179.8	0	0	0	111.2	L53 I67 G68 S72 L73 L93	L53-L70 HydrophobicContact CD2-CD1 4.3Å; I67-L70 HydrophobicContact CD1-CD1 3.81Å; I67-L70 PolarHBondContact O-N 3.35Å; I67-L70 VanDerWaalsContact O-N 3.11Å; G68-L70 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 2.89Å; L70-S72 VanDerWaalsContact O-N 3.11Å; L70-L73 HydrophobicContact CB-CB 4.21Å; L70-L73 HydrophobicContact CD1-CD2 4.48Å; L70-L73 WeakPolarHBondContact O-CB 3.49Å; L70-L73 PolarHBondContact O-N 3.15Å; L70-L93 HydrophobicContact CB-CD2 4.04Å; L70-L93 VanDerWaalsContact O-CD2 3.3Å; L70-L93 WeakPolarHBondContact O-CD2 3.49Å
71	K	96.8	Very high	97.5	Very high	104 Å²	104	45.1 Å²	45.1	45%	0.452	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.5	-170.7	-62.8	-62.4	-175.9	177.3	0	115.2	G68 T69 L73 G92 E95	G68-K71 WeakPolarHBondContact O-CD 3.33Å; G68-K71 WeakPolarHBondContact O-CE 3.4Å; G68-K71 PolarHBondContact O-NZ 3.02Å; T69-K71 PolarHBondContact O-N 2.79Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-G92 WeakPolarHBondContact CD-O 3.43Å; K71-G92 WeakPolarHBondContact CE-O 3.47Å; K71-G92 VanDerWaalsContact NZ-CA 3.35Å; K71-G92 PolarHBondContact NZ-O 3.36Å; K71-E95 WeakPolarHBondContact O-CG 3.26Å
72	S	98	Very high	97.6	Very high	39 Å²	39	43.6 Å²	43.6	27%	0.273	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.4	179	-43	0	0	0	0	113.5	R48 L50 L70 R74	R48-S72 WeakPolarHBondContact O-CB 3.46Å; R48-S72 PolarHBondContact O-OG 2.91Å; L50-S72 CarbonylContact O-C 3.55Å; L70-S72 PolarHBondContact O-N 2.89Å; L70-S72 VanDerWaalsContact O-N 3.11Å; S72-R74 PolarHBondContact O-N 3.22Å
73	L	98.6	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.			trans	-70.9	121.1	-171	-159.3	74	0	0	0	110.9	L50 L53 L70 K71 L76 L93 E95 L96	L50-L73 HydrophobicContact CB-CD1 4.47Å; L50-L73 HydrophobicContact CD2-CD1 4.32Å; L50-L73 HydrophobicContact CG-CD1 4.32Å; L50-L73 WeakPolarHBondContact O-CA 3.48Å; L50-L73 WeakPolarHBondContact O-CD1 3.41Å; L50-L73 PolarHBondContact O-N 2.87Å; L53-L73 HydrophobicContact CB-CD1 3.78Å; L53-L73 HydrophobicContact CB-CD2 4.41Å; L70-L73 HydrophobicContact CB-CB 4.21Å; L70-L73 HydrophobicContact CD1-CD2 4.48Å; L70-L73 WeakPolarHBondContact O-CB 3.49Å; L70-L73 PolarHBondContact O-N 3.15Å; K71-L73 VanDerWaalsContact C-N 3.29Å; L73-L76 HydrophobicContact CD2-CB 3.83Å; L73-L76 HydrophobicContact CD2-CD1 4.12Å; L73-L76 HydrophobicContact CD2-CD2 4.24Å; L73-L76 HydrophobicContact CD2-CG 4.28Å; L73-L93 HydrophobicContact CB-CD2 4.46Å; L73-L93 HydrophobicContact CD2-CD1 4.27Å; L73-E95 CarbonylContact O-C 3.14Å; L73-L96 HydrophobicContact CB-CD1 4.39Å; L73-L96 HydrophobicContact CD2-CD1 4.22Å; L73-L96 HydrophobicContact CG-CD1 4.15Å; L73-L96 VanDerWaalsContact O-CA 3.32Å; L73-L96 WeakPolarHBondContact O-CA 3.04Å; L73-L96 WeakPolarHBondContact O-CD1 3.08Å; L73-L96 PolarHBondContact O-N 2.97Å
74	R	98.6	Very high	97.6	Very high	85 Å²	85	40.8 Å²	40.8	32%	0.321	20%	0.2	S	C	.	.			trans	-103.2	-28.5	179.3	-59.5	-172.7	176.6	-71.3	-5.5	113.1	D51 S72 E95 T97 Y98	D51-R74 WeakPolarHBondContact O-CA 3.16Å; D51-R74 PolarHBondContact O-N 3.31Å; D51-R74 IonicContact OD1-NE 3.55Å; S72-R74 PolarHBondContact O-N 3.22Å; R74-E95 WeakPolarHBondContact CA-O 3.14Å; R74-E95 HydrophobicContact CG-CB 4.4Å; R74-E95 IonicContact CZ-OE2 3.88Å; R74-E95 IonicContact NH1-OE2 3.67Å; R74-E95 PolarHBondContact NH1-OE2 3.01Å; R74-E95 IonicContact NH2-OE2 2.83Å; R74-E95 PolarHBondContact NH2-OE2 3.08Å; R74-T97 PolarHBondContact O-N 3.27Å; R74-T97 PolarHBondContact O-OG1 2.93Å; R74-Y98 PolarHBondContact O-N 2.63Å; R74-Y98 VanDerWaalsContact O-N 3.12Å
75	R	98.8	Very high	97.6	Very high	96 Å²	96	42.3 Å²	42.3	36%	0.362	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.2	176.4	-50.9	-172.9	83.4	88.4	-5	110.7	D51 E52 L53 Y98	D51-R75 PolarHBondContact O-N 2.87Å; D51-R75 VanDerWaalsContact O-N 3.1Å; E52-R75 WeakPolarHBondContact CA-O 3.38Å; E52-R75 HydrophobicContact CB-CB 4.2Å; E52-R75 VanDerWaalsContact CD-CD 3.49Å; E52-R75 HydrophobicContact CG-CB 3.93Å; E52-R75 HydrophobicContact CG-CG 3.92Å; E52-R75 VanDerWaalsContact OE1-CD 3.26Å; E52-R75 WeakPolarHBondContact OE1-CD 3.41Å; L53-R75 PolarHBondContact N-O 3.16Å; R75-Y98 WeakPolarHBondContact CA-O 3.49Å; R75-Y98 HydrophobicContact CB-CD1 4.22Å; R75-Y98 VanDerWaalsContact NH2-CD2 3.32Å
76	L	98.9	Very high	97.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.6	173.6	179.4	55.4	0	0	0	109.3	L53 L73 L78 I90 L93 L96 Y98 L99 N100	L53-L76 HydrophobicContact CB-CD1 4.15Å; L53-L76 HydrophobicContact CD2-CD1 4.09Å; L53-L76 HydrophobicContact CG-CD1 4.18Å; L53-L76 WeakPolarHBondContact O-CA 3.16Å; L73-L76 HydrophobicContact CD2-CB 3.83Å; L73-L76 HydrophobicContact CD2-CD1 4.12Å; L73-L76 HydrophobicContact CD2-CD2 4.24Å; L73-L76 HydrophobicContact CD2-CG 4.28Å; L76-L78 HydrophobicContact CD1-CD1 4.08Å; L76-L78 HydrophobicContact CD1-CD2 4.48Å; L76-L78 HydrophobicContact CD1-CG 3.95Å; L76-L78 HydrophobicContact CD2-CD1 3.81Å; L76-L78 HydrophobicContact CG-CD1 3.83Å; L76-L78 HydrophobicContact CG-CG 4.05Å; L76-I90 HydrophobicContact CD2-CD1 4.16Å; L76-L93 HydrophobicContact CD2-CD1 4.1Å; L76-L96 HydrophobicContact CB-CD1 3.92Å; L76-Y98 PolarHBondContact N-O 2.74Å; L76-L99 HydrophobicContact CB-CD1 4.03Å; L76-L99 HydrophobicContact CD2-CD1 3.97Å; L76-L99 HydrophobicContact CG-CD1 4.03Å; L76-L99 WeakPolarHBondContact O-CA 3.31Å; L76-N100 PolarHBondContact O-N 2.83Å
77	D	98.6	Very high	97.8	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.1	173	-157.1	-44.6	0	0	0	110.6	L53 D54 L55 S56 H79 Y98 N100	L53-D77 PolarHBondContact O-N 2.96Å; D54-D77 HydrophobicContact CB-CB 4.4Å; L55-D77 PolarHBondContact N-O 3.32Å; S56-D77 PolarHBondContact N-O 2.94Å; D77-H79 WeakPolarHBondContact OD1-CB 3.34Å; D77-H79 IonicContact OD1-CD2 2.68Å; D77-H79 IonicContact OD1-CG 3.74Å; D77-H79 PolarHBondContact OD1-N 3.37Å; D77-Y98 HydrophobicContact CB-CE1 4.42Å; D77-Y98 PolarHBondContact OD2-OH 3Å; D77-N100 HydrophobicContact CB-CB 4.49Å; D77-N100 PolarHBondContact OD1-ND2 2.84Å; D77-N100 PolarHBondContact OD2-ND2 2.99Å
78	L	98.3	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-126.5	16.9	179.7	-72.8	165.2	0	0	0	111.3	L55 L63 L76 N81 L83 N100 L101 N104	L55-L78 HydrophobicContact CB-CD2 3.82Å; L55-L78 HydrophobicContact CD1-CD2 4.2Å; L63-L78 HydrophobicContact CD1-CD1 3.71Å; L63-L78 HydrophobicContact CD2-CD1 3.88Å; L63-L78 HydrophobicContact CD2-CD2 3.91Å; L63-L78 HydrophobicContact CG-CD1 4.34Å; L76-L78 HydrophobicContact CD1-CD1 4.08Å; L76-L78 HydrophobicContact CD1-CD2 4.48Å; L76-L78 HydrophobicContact CD1-CG 3.95Å; L76-L78 HydrophobicContact CD2-CD1 3.81Å; L76-L78 HydrophobicContact CG-CD1 3.83Å; L76-L78 HydrophobicContact CG-CG 4.05Å; L78-N81 PolarHBondContact O-ND2 3.24Å; L78-L83 HydrophobicContact CB-CD1 4.13Å; L78-L83 HydrophobicContact CD1-CD1 4.11Å; L78-N100 CarbonylContact C-O 3.45Å; L78-N100 WeakPolarHBondContact CA-O 3.49Å; L78-N100 WeakPolarHBondContact CB-O 3.45Å; L78-N100 PolarHBondContact N-O 2.97Å; L78-L101 HydrophobicContact CB-CD2 4.04Å; L78-L101 HydrophobicContact CD1-CD2 3.8Å; L78-N104 PolarHBondContact O-ND2 3.17Å; L78-N104 VanDerWaalsContact O-ND2 3.12Å
79	H	94.9	Very high	97.8	Very high	38 Å²	38	38.8 Å²	38.8	18%	0.176	19%	0.192	C	C	.	.			trans	-62.3	150.8	-175.9	106.9	80.5	0	0	0	111.8	S56 R57 D77 N100 A102	S56-H79 CarbonylContact C-O 3.46Å; S56-H79 WeakPolarHBondContact CA-O 3.06Å; S56-H79 WeakPolarHBondContact CB-CD2 3.47Å; S56-H79 WeakPolarHBondContact CB-O 3.41Å; R57-H79 PolarHBondContact N-O 2.95Å; D77-H79 WeakPolarHBondContact OD1-CB 3.34Å; D77-H79 IonicContact OD1-CD2 2.68Å; D77-H79 IonicContact OD1-CG 3.74Å; D77-H79 PolarHBondContact OD1-N 3.37Å; H79-N100 WeakPolarHBondContact CB-ND2 3.48Å; H79-N100 PolarHBondContact N-O 3.3Å; H79-A102 CarbonylContact C-O 3.5Å; H79-A102 WeakPolarHBondContact CA-O 3.32Å
80	S	94.1	Very high	97.9	Very high	24 Å²	24	36.5 Å²	36.5	17%	0.168	18%	0.178	C	C	.	.	S	Bend	trans	55.1	62.1	-179.5	-62.1	0	0	0	0	112	R57 N58 A102 N103	R57-S80 CarbonylContact C-O 3.28Å; R57-S80 WeakPolarHBondContact CA-O 3.16Å; R57-S80 PolarHBondContact N-O 3.12Å; N58-S80 PolarHBondContact N-O 2.71Å; N58-S80 VanDerWaalsContact N-O 3.13Å; N58-S80 VanDerWaalsContact O-O 3.06Å; S80-A102 PolarHBondContact N-O 3.1Å; S80-N103 WeakPolarHBondContact CA-O 3.47Å; S80-N103 PolarHBondContact N-O 2.81Å; S80-N103 PolarHBondContact OG-ND2 2.98Å
81	N	97.4	Very high	97.9	Very high	12 Å²	12	37 Å²	37	6%	0.064	18%	0.183	C	C	.	.	S	Bend	trans	-126.9	-162.1	171	-88	-76.3	0	0	0	109.2	L55 N58 Q59 I60 L78 L83 N103 N104	L55-N81 PolarHBondContact O-ND2 2.91Å; N58-N81 WeakPolarHBondContact CA-OD1 3.35Å; N58-N81 WeakPolarHBondContact CB-OD1 3.38Å; N58-N81 PolarHBondContact O-OD1 3.31Å; Q59-N81 PolarHBondContact N-OD1 3.31Å; I60-N81 WeakPolarHBondContact CB-OD1 3.4Å; I60-N81 PolarHBondContact N-OD1 2.81Å; L78-N81 PolarHBondContact O-ND2 3.24Å; N81-L83 HydrophobicContact CB-CG 4.27Å; N81-N103 PolarHBondContact N-O 3.29Å; N81-N104 VanDerWaalsContact CA-OD1 3.27Å; N81-N104 WeakPolarHBondContact CA-OD1 3.2Å; N81-N104 WeakPolarHBondContact CB-OD1 3.48Å; N81-N104 PolarHBondContact N-OD1 2.91Å; N81-N104 PolarHBondContact O-OD1 3.38Å
82	K	97.8	Very high	97.9	Very high	64 Å²	64	32.8 Å²	32.8	28%	0.278	17%	0.169	S	C	.	.			trans	-121.9	30	178.8	-64.2	178.4	177.9	172.9	0	111	Q59 I60 Q61 E84 N104	Q59-K82 HydrophobicContact CB-CD 4.24Å; I60-K82 CarbonylContact O-C 3.55Å; I60-K82 VanDerWaalsContact O-C 3.28Å; I60-K82 WeakPolarHBondContact O-CA 3.33Å; I60-K82 PolarHBondContact O-N 3.45Å; Q61-K82 WeakPolarHBondContact CA-O 3.06Å; Q61-K82 HydrophobicContact CG-CB 4.06Å; K82-E84 PolarHBondContact O-N 2.84Å; K82-N104 PolarHBondContact N-OD1 3.18Å
83	L	98.2	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.			trans	-66	125.1	-176.2	-62.3	175.8	0	0	0	110.5	I60 Q61 L63 L78 N81 L101 N104 R105 L106	I60-L83 HydrophobicContact CG2-CD2 3.99Å; I60-L83 PolarHBondContact O-N 3.38Å; Q61-L83 WeakPolarHBondContact O-CA 3.21Å; L63-L83 HydrophobicContact CD1-CD1 4.42Å; L63-L83 HydrophobicContact CD2-CD2 4.25Å; L63-L83 HydrophobicContact CG-CD1 4.29Å; L63-L83 HydrophobicContact CG-CD2 3.98Å; L78-L83 HydrophobicContact CB-CD1 4.13Å; L78-L83 HydrophobicContact CD1-CD1 4.11Å; N81-L83 HydrophobicContact CB-CG 4.27Å; L83-L101 HydrophobicContact CD1-CD2 3.88Å; L83-N104 HydrophobicContact CB-CB 4.15Å; L83-N104 WeakPolarHBondContact CB-OD1 3.44Å; L83-N104 WeakPolarHBondContact CG-OD1 3.35Å; L83-N104 PolarHBondContact N-OD1 2.93Å; L83-R105 CarbonylContact O-C 3.21Å; L83-R105 VanDerWaalsContact O-CA 3.29Å; L83-R105 WeakPolarHBondContact O-CA 3.43Å; L83-R105 PolarHBondContact O-N 3.12Å; L83-L106 HydrophobicContact CB-CD2 4.19Å; L83-L106 PolarHBondContact O-N 2.92Å
84	E	97.9	Very high	97.8	Very high	93 Å²	93	34.9 Å²	34.9	44%	0.435	18%	0.176	S	C	.	.	S	Bend	trans	-96.7	-25.1	174.5	-68.6	170	-170.4	0	0	111.8	K82 R105	K82-E84 PolarHBondContact O-N 2.84Å; E84-R105 HydrophobicContact CG-CB 4.17Å
85	S	98.4	Very high	97.8	Very high	50 Å²	50	33.8 Å²	33.8	35%	0.35	18%	0.175	S	C	.	.			trans	-148.3	161.8	175.8	66.4	0	0	0	0	112.5	G110	S85-G110 CarbonylContact C-O 3.2Å; S85-G110 VanDerWaalsContact CA-O 3.31Å; S85-G110 WeakPolarHBondContact CA-O 3.47Å
86	V	98.6	Very high	97.8	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.042	16%	0.157	C	C	.	.			trans	-112.4	132.3	169.9	-179	0	0	0	0	108	L63 I90 L101 L106 G110 P112	L63-V86 HydrophobicContact CD1-CG1 4.49Å; V86-I90 HydrophobicContact CG1-CB 3.63Å; V86-I90 HydrophobicContact CG1-CD1 4.14Å; V86-I90 HydrophobicContact CG1-CG1 3.78Å; V86-I90 HydrophobicContact CG1-CG2 3.7Å; V86-L101 HydrophobicContact CG2-CD1 3.87Å; V86-L101 HydrophobicContact CG2-CD2 4.15Å; V86-L106 HydrophobicContact CG2-CD1 4.38Å; V86-L106 HydrophobicContact CG2-CD2 4Å; V86-G110 PolarHBondContact N-O 3.44Å; V86-P112 HydrophobicContact CB-CG 4.18Å; V86-P112 HydrophobicContact CG1-CG 4.14Å; V86-P112 VanDerWaalsContact O-CD 3.3Å; V86-P112 WeakPolarHBondContact O-CD 3.41Å; V86-P112 WeakPolarHBondContact O-CG 3.37Å
87	P	98.4	Very high	97.8	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.039	17%	0.166	C	C	.	.			trans	-72.7	152.1	-177.9	28.9	-35.7	0	0	0	111.8	L63 E65 I67 S89 I90	L63-P87 HydrophobicContact CB-CG 3.95Å; E65-P87 WeakPolarHBondContact OE2-CB 3.32Å; I67-P87 HydrophobicContact CG2-CG 3.72Å; P87-S89 PolarHBondContact O-N 3.01Å; P87-I90 WeakPolarHBondContact O-CB 3.27Å; P87-I90 VanDerWaalsContact O-CG2 3.3Å; P87-I90 WeakPolarHBondContact O-CG2 3.46Å; P87-I90 PolarHBondContact O-N 3.11Å
88	E	98.5	Very high	97.8	Very high	94 Å²	94	31.5 Å²	31.5	44%	0.439	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-56.6	-27	176.3	-72.6	-69.4	170.7	0	0	112.7	I90 G91 P112 T114	E88-I90 PolarHBondContact O-N 2.92Å; E88-G91 PolarHBondContact O-N 3.33Å; E88-P112 VanDerWaalsContact CD-CB 3.42Å; E88-P112 HydrophobicContact CG-CB 4.1Å; E88-P112 WeakPolarHBondContact OE1-CB 3.1Å; E88-P112 WeakPolarHBondContact OE2-CB 3.33Å; E88-T114 WeakPolarHBondContact CA-OG1 3.08Å; E88-T114 WeakPolarHBondContact O-CB 3.46Å; E88-T114 PolarHBondContact O-OG1 2.8Å; E88-T114 VanDerWaalsContact OE2-CB 3.24Å; E88-T114 WeakPolarHBondContact OE2-CB 3.43Å; E88-T114 WeakPolarHBondContact OE2-CG2 3.45Å; E88-T114 PolarHBondContact OE2-N 3.11Å; E88-T114 PolarHBondContact OE2-OG1 3.37Å
89	S	98.4	Very high	97.8	Very high	27 Å²	27	31.5 Å²	31.5	19%	0.189	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-63.2	-12.3	175.3	68	0	0	0	0	114.3	E65 I67 G68 P87 G91 G92	E65-S89 WeakPolarHBondContact O-CB 3.42Å; E65-S89 PolarHBondContact O-OG 3.39Å; I67-S89 WeakPolarHBondContact CG2-OG 3.32Å; G68-S89 WeakPolarHBondContact CA-O 3.39Å; G68-S89 PolarHBondContact N-O 2.98Å; P87-S89 PolarHBondContact O-N 3.01Å; S89-G91 PolarHBondContact O-N 3.29Å; S89-G92 WeakPolarHBondContact O-CA 3.4Å; S89-G92 PolarHBondContact O-N 3.31Å
90	I	98.6	Very high	98	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.6	-37.2	176.5	-161.7	72.6	0	0	0	111.8	I67 L76 V86 P87 E88 G92 L93 P112 L115 L118	I67-I90 HydrophobicContact CG2-CD1 4.27Å; L76-I90 HydrophobicContact CD2-CD1 4.16Å; V86-I90 HydrophobicContact CG1-CB 3.63Å; V86-I90 HydrophobicContact CG1-CD1 4.14Å; V86-I90 HydrophobicContact CG1-CG1 3.78Å; V86-I90 HydrophobicContact CG1-CG2 3.7Å; P87-I90 WeakPolarHBondContact O-CB 3.27Å; P87-I90 VanDerWaalsContact O-CG2 3.3Å; P87-I90 WeakPolarHBondContact O-CG2 3.46Å; P87-I90 PolarHBondContact O-N 3.11Å; E88-I90 PolarHBondContact O-N 2.92Å; I90-G92 PolarHBondContact O-N 3.3Å; I90-L93 HydrophobicContact CD1-CD1 3.59Å; I90-L93 HydrophobicContact CD1-CG 4.5Å; I90-L93 HydrophobicContact CG1-CD1 4.39Å; I90-L93 WeakPolarHBondContact O-CB 3.28Å; I90-L93 WeakPolarHBondContact O-CG 3.46Å; I90-L93 PolarHBondContact O-N 3.12Å; I90-P112 HydrophobicContact CG2-CG 3.66Å; I90-L115 HydrophobicContact CG1-CD1 4.49Å; I90-L115 HydrophobicContact CG2-CD1 4.15Å; I90-L118 WeakPolarHBondContact O-CD2 3.39Å
91	G	97.9	Very high	98.2	Very high	10 Å²	10	29.1 Å²	29.1	10%	0.103	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.6	-12.2	176.7	0	0	0	0	0	113.6	E88 S89 L93 T114	E88-G91 PolarHBondContact O-N 3.33Å; S89-G91 PolarHBondContact O-N 3.29Å; G91-L93 VanDerWaalsContact C-N 3.27Å; G91-L93 PolarHBondContact O-N 2.69Å; G91-T114 WeakPolarHBondContact CA-O 3.44Å
92	G	97.9	Very high	98.2	Very high	15 Å²	15	28.8 Å²	28.8	16%	0.155	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-72.4	-13.1	171	0	0	0	0	0	114.6	K71 S89 I90 I94	K71-G92 WeakPolarHBondContact CD-O 3.43Å; K71-G92 WeakPolarHBondContact CE-O 3.47Å; K71-G92 VanDerWaalsContact NZ-CA 3.35Å; K71-G92 PolarHBondContact NZ-O 3.36Å; S89-G92 WeakPolarHBondContact O-CA 3.4Å; S89-G92 PolarHBondContact O-N 3.31Å; I90-G92 PolarHBondContact O-N 3.3Å; G92-I94 PolarHBondContact O-N 2.93Å
93	L	98.3	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.			trans	-82.2	62.2	179.9	-57.4	-178.8	0	0	0	111.3	I67 L70 L73 L76 I90 G91 E95 L96 L118	I67-L93 WeakPolarHBondContact O-CD2 3.5Å; L70-L93 HydrophobicContact CB-CD2 4.04Å; L70-L93 VanDerWaalsContact O-CD2 3.3Å; L70-L93 WeakPolarHBondContact O-CD2 3.49Å; L73-L93 HydrophobicContact CB-CD2 4.46Å; L73-L93 HydrophobicContact CD2-CD1 4.27Å; L76-L93 HydrophobicContact CD2-CD1 4.1Å; I90-L93 HydrophobicContact CD1-CD1 3.59Å; I90-L93 HydrophobicContact CD1-CG 4.5Å; I90-L93 HydrophobicContact CG1-CD1 4.39Å; I90-L93 WeakPolarHBondContact O-CB 3.28Å; I90-L93 WeakPolarHBondContact O-CG 3.46Å; I90-L93 PolarHBondContact O-N 3.12Å; G91-L93 VanDerWaalsContact C-N 3.27Å; G91-L93 PolarHBondContact O-N 2.69Å; L93-E95 PolarHBondContact O-N 2.75Å; L93-E95 VanDerWaalsContact O-N 3.11Å; L93-L96 HydrophobicContact CB-CB 4.03Å; L93-L96 HydrophobicContact CB-CD2 4.38Å; L93-L96 HydrophobicContact CD1-CD1 4.47Å; L93-L96 HydrophobicContact CD1-CD2 4.17Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 2.79Å; L93-L118 HydrophobicContact CB-CD2 4.09Å; L93-L118 WeakPolarHBondContact O-CD2 3.31Å
94	I	95.6	Very high	98.1	Very high	83 Å²	83	29.8 Å²	29.8	43%	0.426	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23	-169.8	60.2	171.5	0	0	0	114.7	G92 L96 N120	G92-I94 PolarHBondContact O-N 2.93Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-N120 PolarHBondContact O-ND2 2.84Å
95	E	98.2	Very high	98.1	Very high	63 Å²	63	31.2 Å²	31.2	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.7	177.4	-67	-65.9	141.5	0	0	113.4	K71 L73 R74 L93 T97	K71-E95 WeakPolarHBondContact O-CG 3.26Å; L73-E95 CarbonylContact O-C 3.14Å; R74-E95 WeakPolarHBondContact CA-O 3.14Å; R74-E95 HydrophobicContact CG-CB 4.4Å; R74-E95 IonicContact CZ-OE2 3.88Å; R74-E95 IonicContact NH1-OE2 3.67Å; R74-E95 PolarHBondContact NH1-OE2 3.01Å; R74-E95 IonicContact NH2-OE2 2.83Å; R74-E95 PolarHBondContact NH2-OE2 3.08Å; L93-E95 PolarHBondContact O-N 2.75Å; L93-E95 VanDerWaalsContact O-N 3.11Å; E95-T97 PolarHBondContact O-N 2.85Å
96	L	98.7	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.			trans	-69.8	124	-172.3	-158.1	74.2	0	0	0	110.7	L73 L76 L93 I94 L99 L118 N120 L121	L73-L96 HydrophobicContact CB-CD1 4.39Å; L73-L96 HydrophobicContact CD2-CD1 4.22Å; L73-L96 HydrophobicContact CG-CD1 4.15Å; L73-L96 VanDerWaalsContact O-CA 3.32Å; L73-L96 WeakPolarHBondContact O-CA 3.04Å; L73-L96 WeakPolarHBondContact O-CD1 3.08Å; L73-L96 PolarHBondContact O-N 2.97Å; L76-L96 HydrophobicContact CB-CD1 3.92Å; L93-L96 HydrophobicContact CB-CB 4.03Å; L93-L96 HydrophobicContact CB-CD2 4.38Å; L93-L96 HydrophobicContact CD1-CD1 4.47Å; L93-L96 HydrophobicContact CD1-CD2 4.17Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 2.79Å; I94-L96 VanDerWaalsContact C-N 3.35Å; L96-L99 HydrophobicContact CD2-CB 3.88Å; L96-L99 HydrophobicContact CD2-CD1 4.25Å; L96-L99 HydrophobicContact CD2-CD2 4.25Å; L96-L99 HydrophobicContact CD2-CG 4.36Å; L96-L118 HydrophobicContact CB-CD2 4.37Å; L96-L118 HydrophobicContact CD2-CD1 4.13Å; L96-N120 CarbonylContact O-C 3.4Å; L96-L121 HydrophobicContact CD2-CD1 4.2Å; L96-L121 HydrophobicContact CG-CD1 4.2Å; L96-L121 VanDerWaalsContact O-CA 3.29Å; L96-L121 WeakPolarHBondContact O-CA 3.47Å; L96-L121 PolarHBondContact O-N 3.16Å; L96-L121 VanDerWaalsContact O-N 3.16Å
97	T	98.8	Very high	98.1	Very high	31 Å²	31	31.1 Å²	31.1	19%	0.19	16%	0.161	C	C	.	.			trans	-110.1	-22.3	179.3	63	0	0	0	0	112.7	R74 E95 N120 K122 T123	R74-T97 PolarHBondContact O-N 3.27Å; R74-T97 PolarHBondContact O-OG1 2.93Å; E95-T97 PolarHBondContact O-N 2.85Å; T97-N120 WeakPolarHBondContact CA-O 2.99Å; T97-K122 PolarHBondContact O-N 2.9Å; T97-T123 PolarHBondContact O-N 3.15Å; T97-T123 VanDerWaalsContact O-N 3.08Å
98	Y	98.9	Very high	98.1	Very high	44 Å²	44	32.1 Å²	32.1	17%	0.173	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.6	-179.7	175.4	-86.5	0	0	0	110.1	R74 R75 L76 D77 N100 T123	R74-Y98 PolarHBondContact O-N 2.63Å; R74-Y98 VanDerWaalsContact O-N 3.12Å; R75-Y98 WeakPolarHBondContact CA-O 3.49Å; R75-Y98 HydrophobicContact CB-CD1 4.22Å; R75-Y98 VanDerWaalsContact NH2-CD2 3.32Å; L76-Y98 PolarHBondContact N-O 2.74Å; D77-Y98 HydrophobicContact CB-CE1 4.42Å; D77-Y98 PolarHBondContact OD2-OH 3Å; Y98-N100 HydrophobicContact CE1-CB 3.65Å; Y98-N100 PolarHBondContact OH-ND2 3.03Å; Y98-T123 WeakPolarHBondContact CA-O 3.3Å; Y98-T123 HydrophobicContact CD2-CG2 3.72Å; Y98-T123 HydrophobicContact CE2-CG2 3.83Å
99	L	98.9	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121	174.2	179.4	55.8	0	0	0	109.9	L76 L96 L101 L115 L118 L121 T123 L124 N125	L76-L99 HydrophobicContact CB-CD1 4.03Å; L76-L99 HydrophobicContact CD2-CD1 3.97Å; L76-L99 HydrophobicContact CG-CD1 4.03Å; L76-L99 WeakPolarHBondContact O-CA 3.31Å; L96-L99 HydrophobicContact CD2-CB 3.88Å; L96-L99 HydrophobicContact CD2-CD1 4.25Å; L96-L99 HydrophobicContact CD2-CD2 4.25Å; L96-L99 HydrophobicContact CD2-CG 4.36Å; L99-L101 HydrophobicContact CD1-CD1 4.26Å; L99-L101 HydrophobicContact CD1-CD2 4.43Å; L99-L101 HydrophobicContact CD1-CG 3.98Å; L99-L101 HydrophobicContact CD2-CD1 3.88Å; L99-L101 HydrophobicContact CD2-CG 4.46Å; L99-L101 HydrophobicContact CG-CD1 4.01Å; L99-L101 HydrophobicContact CG-CG 4.06Å; L99-L115 HydrophobicContact CD2-CD1 3.85Å; L99-L118 HydrophobicContact CD2-CD1 4.08Å; L99-L121 HydrophobicContact CB-CD1 3.83Å; L99-T123 PolarHBondContact N-O 2.96Å; L99-L124 HydrophobicContact CB-CD1 4.01Å; L99-L124 HydrophobicContact CD2-CD1 3.94Å; L99-L124 HydrophobicContact CG-CD1 3.96Å; L99-L124 WeakPolarHBondContact O-CA 3.43Å; L99-N125 PolarHBondContact O-N 3.37Å
100	N	98.7	Very high	98	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.053	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.2	175.5	-172.8	5.3	0	0	0	110.5	L76 D77 L78 H79 Y98 A102 N125	L76-N100 PolarHBondContact O-N 2.83Å; D77-N100 HydrophobicContact CB-CB 4.49Å; D77-N100 PolarHBondContact OD1-ND2 2.84Å; D77-N100 PolarHBondContact OD2-ND2 2.99Å; L78-N100 CarbonylContact C-O 3.45Å; L78-N100 WeakPolarHBondContact CA-O 3.49Å; L78-N100 WeakPolarHBondContact CB-O 3.45Å; L78-N100 PolarHBondContact N-O 2.97Å; H79-N100 WeakPolarHBondContact CB-ND2 3.48Å; H79-N100 PolarHBondContact N-O 3.3Å; Y98-N100 HydrophobicContact CE1-CB 3.65Å; Y98-N100 PolarHBondContact OH-ND2 3.03Å; N100-A102 WeakPolarHBondContact OD1-CB 3.49Å; N100-A102 PolarHBondContact OD1-N 2.83Å; N100-A102 VanDerWaalsContact OD1-N 3.16Å; N100-N125 HydrophobicContact CB-CB 4.49Å
101	L	98.5	Very high	98	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.183	C	C	.	.			trans	-117.8	13.3	178.5	-71.8	167.6	0	0	0	111.4	L78 L83 V86 L99 N104 L106 N125 L126 N129	L78-L101 HydrophobicContact CB-CD2 4.04Å; L78-L101 HydrophobicContact CD1-CD2 3.8Å; L83-L101 HydrophobicContact CD1-CD2 3.88Å; V86-L101 HydrophobicContact CG2-CD1 3.87Å; V86-L101 HydrophobicContact CG2-CD2 4.15Å; L99-L101 HydrophobicContact CD1-CD1 4.26Å; L99-L101 HydrophobicContact CD1-CD2 4.43Å; L99-L101 HydrophobicContact CD1-CG 3.98Å; L99-L101 HydrophobicContact CD2-CD1 3.88Å; L99-L101 HydrophobicContact CD2-CG 4.46Å; L99-L101 HydrophobicContact CG-CD1 4.01Å; L99-L101 HydrophobicContact CG-CG 4.06Å; L101-N104 PolarHBondContact O-ND2 2.96Å; L101-L106 HydrophobicContact CB-CD1 3.91Å; L101-L106 HydrophobicContact CD1-CD1 4.27Å; L101-L106 HydrophobicContact CG-CD1 4.48Å; L101-N125 CarbonylContact C-O 3.16Å; L101-N125 WeakPolarHBondContact CA-O 3.43Å; L101-N125 PolarHBondContact N-O 3.26Å; L101-L126 HydrophobicContact CB-CD2 4Å; L101-L126 HydrophobicContact CD1-CD2 3.9Å; L101-N129 PolarHBondContact O-ND2 2.8Å; L101-N129 VanDerWaalsContact O-ND2 3.12Å
102	A	96.7	Very high	98	Very high	6 Å²	6	31.9 Å²	31.9	5%	0.05	18%	0.181	C	C	.	.			trans	-64.5	154.4	-175.8	0	0	0	0	0	112.8	H79 S80 N100 N104 N125 G127	H79-A102 CarbonylContact C-O 3.5Å; H79-A102 WeakPolarHBondContact CA-O 3.32Å; S80-A102 PolarHBondContact N-O 3.1Å; N100-A102 WeakPolarHBondContact OD1-CB 3.49Å; N100-A102 PolarHBondContact OD1-N 2.83Å; N100-A102 VanDerWaalsContact OD1-N 3.16Å; A102-N104 PolarHBondContact O-ND2 2.96Å; A102-N125 WeakPolarHBondContact CB-OD1 3.22Å; A102-N125 PolarHBondContact N-O 3.09Å; A102-G127 CarbonylContact C-O 3.38Å; A102-G127 WeakPolarHBondContact CA-O 3.42Å; A102-G127 WeakPolarHBondContact CB-O 3.13Å
103	N	96.4	Very high	98	Very high	75 Å²	75	34.1 Å²	34.1	40%	0.401	19%	0.194	S	C	.	.	S	Bend	trans	56.1	59.4	179.2	-166.1	29.4	0	0	0	111.9	S80 N81 G127 L128	S80-N103 WeakPolarHBondContact CA-O 3.47Å; S80-N103 PolarHBondContact N-O 2.81Å; S80-N103 PolarHBondContact OG-ND2 2.98Å; N81-N103 PolarHBondContact N-O 3.29Å; N103-G127 PolarHBondContact N-O 2.98Å; N103-L128 WeakPolarHBondContact CA-O 3.35Å; N103-L128 HydrophobicContact CB-CB 4.04Å; N103-L128 HydrophobicContact CB-CD1 4.14Å; N103-L128 PolarHBondContact N-O 3.34Å
104	N	98.1	Very high	98	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.048	21%	0.205	C	C	.	.	S	Bend	trans	-128.7	-160	174.5	-85.5	-75.7	0	0	0	109	L78 N81 K82 L83 L101 A102 L106 L128 N129	L78-N104 PolarHBondContact O-ND2 3.17Å; L78-N104 VanDerWaalsContact O-ND2 3.12Å; N81-N104 VanDerWaalsContact CA-OD1 3.27Å; N81-N104 WeakPolarHBondContact CA-OD1 3.2Å; N81-N104 WeakPolarHBondContact CB-OD1 3.48Å; N81-N104 PolarHBondContact N-OD1 2.91Å; N81-N104 PolarHBondContact O-OD1 3.38Å; K82-N104 PolarHBondContact N-OD1 3.18Å; L83-N104 HydrophobicContact CB-CB 4.15Å; L83-N104 WeakPolarHBondContact CB-OD1 3.44Å; L83-N104 WeakPolarHBondContact CG-OD1 3.35Å; L83-N104 PolarHBondContact N-OD1 2.93Å; L101-N104 PolarHBondContact O-ND2 2.96Å; A102-N104 PolarHBondContact O-ND2 2.96Å; N104-L106 HydrophobicContact CB-CD1 4.47Å; N104-L106 HydrophobicContact CB-CG 4.16Å; N104-L128 PolarHBondContact N-O 3.23Å; N104-N129 VanDerWaalsContact CA-OD1 3.32Å; N104-N129 WeakPolarHBondContact CA-OD1 3.43Å; N104-N129 WeakPolarHBondContact CB-OD1 3.2Å; N104-N129 PolarHBondContact N-OD1 3.11Å; N104-N129 PolarHBondContact O-OD1 3.12Å
105	R	97.7	Very high	98.1	Very high	124 Å²	124	31.9 Å²	31.9	47%	0.468	19%	0.185	S	C	.	.			trans	-119.9	30.5	178.5	-58.1	177.9	179.3	-155.9	-6.9	110.9	L83 E84 T107 N129	L83-R105 CarbonylContact O-C 3.21Å; L83-R105 VanDerWaalsContact O-CA 3.29Å; L83-R105 WeakPolarHBondContact O-CA 3.43Å; L83-R105 PolarHBondContact O-N 3.12Å; E84-R105 HydrophobicContact CG-CB 4.17Å; R105-T107 PolarHBondContact O-N 3.04Å; R105-N129 PolarHBondContact N-OD1 2.85Å
106	L	98.4	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.			trans	-71.1	132.2	-175.7	-62.5	171	0	0	0	109.9	L83 V86 L101 N104 L111 L126 N129 Q130 L131	L83-L106 HydrophobicContact CB-CD2 4.19Å; L83-L106 PolarHBondContact O-N 2.92Å; V86-L106 HydrophobicContact CG2-CD1 4.38Å; V86-L106 HydrophobicContact CG2-CD2 4Å; L101-L106 HydrophobicContact CB-CD1 3.91Å; L101-L106 HydrophobicContact CD1-CD1 4.27Å; L101-L106 HydrophobicContact CG-CD1 4.48Å; N104-L106 HydrophobicContact CB-CD1 4.47Å; N104-L106 HydrophobicContact CB-CG 4.16Å; L106-L111 HydrophobicContact CD1-CD2 4.19Å; L106-L126 HydrophobicContact CD1-CD2 4.32Å; L106-N129 HydrophobicContact CB-CB 4.25Å; L106-N129 WeakPolarHBondContact CB-OD1 3.23Å; L106-N129 PolarHBondContact N-OD1 2.86Å; L106-Q130 CarbonylContact O-C 3.36Å; L106-Q130 WeakPolarHBondContact O-CA 3.29Å; L106-Q130 WeakPolarHBondContact O-CB 3.46Å; L106-Q130 PolarHBondContact O-N 2.93Å; L106-L131 HydrophobicContact CB-CD2 4.16Å
107	T	98.6	Very high	98	Very high	55 Å²	55	31.4 Å²	31.4	34%	0.337	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-106.3	168.1	164.7	65.4	0	0	0	0	109.3	R105 A109 G110 Q130 L131	R105-T107 PolarHBondContact O-N 3.04Å; T107-A109 PolarHBondContact O-N 3Å; T107-G110 WeakPolarHBondContact O-CA 3.3Å; T107-G110 PolarHBondContact O-N 2.88Å; T107-Q130 HydrophobicContact CG2-CB 4.18Å; T107-L131 VanDerWaalsContact C-CD2 3.42Å
108	S	97.8	Very high	97.9	Very high	26 Å²	26	30 Å²	30	18%	0.182	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-59.4	-34.9	179.5	-51.6	0	0	0	0	112.6	G110 L111 D132 A133	S108-G110 PolarHBondContact O-N 3.03Å; S108-L111 PolarHBondContact O-N 3.27Å; S108-D132 VanDerWaalsContact CB-OD1 3.31Å; S108-D132 WeakPolarHBondContact CB-OD1 3.23Å; S108-D132 PolarHBondContact OG-N 3.34Å; S108-D132 VanDerWaalsContact OG-N 3.15Å; S108-D132 PolarHBondContact OG-OD1 2.76Å; S108-A133 PolarHBondContact OG-N 2.97Å; S108-A133 PolarHBondContact OG-O 3.31Å; S108-A133 VanDerWaalsContact OG-O 3.1Å
109	A	97.8	Very high	97.7	Very high	100 Å²	100	30.6 Å²	30.6	83%	0.826	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-68.6	-20.6	173.2	0	0	0	0	0	113.5	T107 L111	T107-A109 PolarHBondContact O-N 3Å; A109-L111 VanDerWaalsContact C-N 3.33Å
110	G	97.6	Very high	97.7	Very high	7 Å²	7	33.3 Å²	33.3	7%	0.072	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-83.2	-5.4	175.2	0	0	0	0	0	114	S85 V86 T107 S108	S85-G110 CarbonylContact C-O 3.2Å; S85-G110 VanDerWaalsContact CA-O 3.31Å; S85-G110 WeakPolarHBondContact CA-O 3.47Å; V86-G110 PolarHBondContact N-O 3.44Å; T107-G110 WeakPolarHBondContact O-CA 3.3Å; T107-G110 PolarHBondContact O-N 2.88Å; S108-G110 PolarHBondContact O-N 3.03Å
111	L	98.4	Very high	97.7	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	20%	0.202	C	C	.	.	S	Bend	trans	-96.6	118.6	176	-64.2	-176.1	0	0	0	110.5	L106 S108 A109 L126 L131 L134 P135	L106-L111 HydrophobicContact CD1-CD2 4.19Å; S108-L111 PolarHBondContact O-N 3.27Å; A109-L111 VanDerWaalsContact C-N 3.33Å; L111-L126 HydrophobicContact CD1-CD1 4.42Å; L111-L126 HydrophobicContact CD2-CD2 4.15Å; L111-L131 HydrophobicContact CD1-CD1 4.06Å; L111-L131 HydrophobicContact CD1-CD2 3.65Å; L111-L131 HydrophobicContact CG-CD2 3.98Å; L111-L134 HydrophobicContact CD1-CD2 3.76Å; L111-P135 HydrophobicContact CB-CG 3.83Å
112	P	98.1	Very high	97.7	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.058	22%	0.221	C	C	.	.			trans	-75.4	150.7	-178.4	30.5	-34.2	0	0	0	111.2	V86 E88 I90 T114 L115	V86-P112 HydrophobicContact CB-CG 4.18Å; V86-P112 HydrophobicContact CG1-CG 4.14Å; V86-P112 VanDerWaalsContact O-CD 3.3Å; V86-P112 WeakPolarHBondContact O-CD 3.41Å; V86-P112 WeakPolarHBondContact O-CG 3.37Å; E88-P112 VanDerWaalsContact CD-CB 3.42Å; E88-P112 HydrophobicContact CG-CB 4.1Å; E88-P112 WeakPolarHBondContact OE1-CB 3.1Å; E88-P112 WeakPolarHBondContact OE2-CB 3.33Å; I90-P112 HydrophobicContact CG2-CG 3.66Å; P112-T114 PolarHBondContact O-N 2.93Å; P112-L115 VanDerWaalsContact O-CB 3.3Å; P112-L115 WeakPolarHBondContact O-CB 3.02Å; P112-L115 PolarHBondContact O-N 3.03Å; P112-L115 VanDerWaalsContact O-N 3.11Å
113	S	97.6	Very high	97.8	Very high	63 Å²	63	38.3 Å²	38.3	44%	0.441	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.2	-30.8	177.7	65.2	0	0	0	0	112.2	L115 G116 T137	S113-L115 PolarHBondContact O-N 3.34Å; S113-L115 VanDerWaalsContact O-N 3.14Å; S113-G116 PolarHBondContact O-N 3.47Å; S113-T137 WeakPolarHBondContact O-CB 3.35Å; S113-T137 PolarHBondContact O-OG1 2.85Å
114	T	98.3	Very high	97.9	Very high	36 Å²	36	34.7 Å²	34.7	22%	0.221	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66.9	-6.9	175.8	52.2	0	0	0	0	114.7	E88 G91 P112 G116 S117	E88-T114 WeakPolarHBondContact CA-OG1 3.08Å; E88-T114 WeakPolarHBondContact O-CB 3.46Å; E88-T114 PolarHBondContact O-OG1 2.8Å; E88-T114 VanDerWaalsContact OE2-CB 3.24Å; E88-T114 WeakPolarHBondContact OE2-CB 3.43Å; E88-T114 WeakPolarHBondContact OE2-CG2 3.45Å; E88-T114 PolarHBondContact OE2-N 3.11Å; E88-T114 PolarHBondContact OE2-OG1 3.37Å; G91-T114 WeakPolarHBondContact CA-O 3.44Å; P112-T114 PolarHBondContact O-N 2.93Å; T114-G116 PolarHBondContact O-N 3.49Å; T114-S117 VanDerWaalsContact O-CB 3.25Å; T114-S117 WeakPolarHBondContact O-CB 3.29Å; T114-S117 PolarHBondContact O-N 2.98Å; T114-S117 PolarHBondContact O-OG 2.98Å
115	L	98.1	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.9	-31.8	169.8	-167.2	68.4	0	0	0	111.3	I90 L99 P112 S113 S117 L118 L124 M138	I90-L115 HydrophobicContact CG1-CD1 4.49Å; I90-L115 HydrophobicContact CG2-CD1 4.15Å; L99-L115 HydrophobicContact CD2-CD1 3.85Å; P112-L115 VanDerWaalsContact O-CB 3.3Å; P112-L115 WeakPolarHBondContact O-CB 3.02Å; P112-L115 PolarHBondContact O-N 3.03Å; P112-L115 VanDerWaalsContact O-N 3.11Å; S113-L115 PolarHBondContact O-N 3.34Å; S113-L115 VanDerWaalsContact O-N 3.14Å; L115-S117 PolarHBondContact O-N 3.23Å; L115-L118 HydrophobicContact CD1-CD1 3.73Å; L115-L118 WeakPolarHBondContact O-CG 3.3Å; L115-L118 PolarHBondContact O-N 2.83Å; L115-L124 HydrophobicContact CD2-CD2 4.44Å; L115-M138 HydrophobicContact CD2-CE 4.44Å; L115-M138 HydrophobicContact CD2-SD 3.95Å
116	G	96.9	Very high	97.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-64.4	-18.4	173	0	0	0	0	0	114.6	S113 T114 L118 T137	S113-G116 PolarHBondContact O-N 3.47Å; T114-G116 PolarHBondContact O-N 3.49Å; G116-L118 PolarHBondContact O-N 3.06Å; G116-T137 WeakPolarHBondContact CA-O 3.34Å
117	S	97.8	Very high	97.4	Very high	52 Å²	52	29.9 Å²	29.9	36%	0.364	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-76.3	-6.1	178.7	-51.2	0	0	0	0	113.8	T114 L115 C119	T114-S117 VanDerWaalsContact O-CB 3.25Å; T114-S117 WeakPolarHBondContact O-CB 3.29Å; T114-S117 PolarHBondContact O-N 2.98Å; T114-S117 PolarHBondContact O-OG 2.98Å; L115-S117 PolarHBondContact O-N 3.23Å; S117-C119 PolarHBondContact O-N 3.06Å
118	L	98	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.192	C	C	.	.			trans	-77.7	61.8	178	-59.4	178.4	0	0	0	111.5	I90 L93 L96 L99 L115 G116 N120 L121 L141	I90-L118 WeakPolarHBondContact O-CD2 3.39Å; L93-L118 HydrophobicContact CB-CD2 4.09Å; L93-L118 WeakPolarHBondContact O-CD2 3.31Å; L96-L118 HydrophobicContact CB-CD2 4.37Å; L96-L118 HydrophobicContact CD2-CD1 4.13Å; L99-L118 HydrophobicContact CD2-CD1 4.08Å; L115-L118 HydrophobicContact CD1-CD1 3.73Å; L115-L118 WeakPolarHBondContact O-CG 3.3Å; L115-L118 PolarHBondContact O-N 2.83Å; G116-L118 PolarHBondContact O-N 3.06Å; L118-N120 PolarHBondContact O-N 3.26Å; L118-L121 HydrophobicContact CB-CB 3.95Å; L118-L121 HydrophobicContact CB-CD2 4.33Å; L118-L121 HydrophobicContact CD1-CD2 4.1Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 2.97Å; L118-L141 HydrophobicContact CB-CD2 4.01Å; L118-L141 VanDerWaalsContact O-CD2 3.25Å; L118-L141 WeakPolarHBondContact O-CD2 3.07Å
119	C	93.8	Very high	97.2	Very high	58 Å²	58	29.8 Å²	29.8	39%	0.392	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21	-171.9	58.5	0	0	0	0	114.9	S117 L143	S117-C119 PolarHBondContact O-N 3.06Å; C119-L143 WeakPolarHBondContact O-CB 3.31Å; C119-L143 WeakPolarHBondContact O-CG 3.31Å
120	N	98.1	Very high	97.2	Very high	56 Å²	56	29 Å²	29	30%	0.299	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.9	175.8	-73.5	-53.6	0	0	0	114.5	I94 L96 T97 L118 K122	I94-N120 PolarHBondContact O-ND2 2.84Å; L96-N120 CarbonylContact O-C 3.4Å; T97-N120 WeakPolarHBondContact CA-O 2.99Å; L118-N120 PolarHBondContact O-N 3.26Å; N120-K122 PolarHBondContact O-N 2.91Å
121	L	98.6	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.			trans	-69.9	124.7	-175.2	-163	70.5	0	0	0	110.6	L96 L99 L118 L124 L141 L143 L144	L96-L121 HydrophobicContact CD2-CD1 4.2Å; L96-L121 HydrophobicContact CG-CD1 4.2Å; L96-L121 VanDerWaalsContact O-CA 3.29Å; L96-L121 WeakPolarHBondContact O-CA 3.47Å; L96-L121 PolarHBondContact O-N 3.16Å; L96-L121 VanDerWaalsContact O-N 3.16Å; L99-L121 HydrophobicContact CB-CD1 3.83Å; L118-L121 HydrophobicContact CB-CB 3.95Å; L118-L121 HydrophobicContact CB-CD2 4.33Å; L118-L121 HydrophobicContact CD1-CD2 4.1Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 2.97Å; L121-L124 HydrophobicContact CD2-CB 3.86Å; L121-L124 HydrophobicContact CD2-CD1 4.25Å; L121-L124 HydrophobicContact CD2-CD2 4.18Å; L121-L124 HydrophobicContact CD2-CG 4.32Å; L121-L141 HydrophobicContact CB-CD2 4.46Å; L121-L141 HydrophobicContact CD2-CD1 4.47Å; L121-L143 CarbonylContact O-C 3.33Å; L121-L144 HydrophobicContact CD2-CD1 4.23Å; L121-L144 HydrophobicContact CG-CD1 4.17Å; L121-L144 VanDerWaalsContact O-CA 3.23Å; L121-L144 WeakPolarHBondContact O-CA 3.42Å; L121-L144 PolarHBondContact O-N 2.75Å; L121-L144 VanDerWaalsContact O-N 3.15Å
122	K	98.6	Very high	97	Very high	93 Å²	93	32.5 Å²	32.5	40%	0.404	18%	0.183	S	C	.	.			trans	-106	-34.4	179.2	-61.4	-175.5	-179.9	-176.8	0	112.1	T97 N120 Q145 E146	T97-K122 PolarHBondContact O-N 2.9Å; N120-K122 PolarHBondContact O-N 2.91Å; K122-Q145 WeakPolarHBondContact O-CA 3.45Å; K122-Q145 PolarHBondContact O-N 2.94Å; K122-E146 PolarHBondContact O-N 3.34Å
123	T	98.6	Very high	97	Very high	29 Å²	29	34.2 Å²	34.2	18%	0.178	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.3	179.8	-54.8	0	0	0	0	109.9	T97 Y98 L99 E146	T97-T123 PolarHBondContact O-N 3.15Å; T97-T123 VanDerWaalsContact O-N 3.08Å; Y98-T123 WeakPolarHBondContact CA-O 3.3Å; Y98-T123 HydrophobicContact CD2-CG2 3.72Å; Y98-T123 HydrophobicContact CE2-CG2 3.83Å; L99-T123 PolarHBondContact N-O 2.96Å; T123-E146 WeakPolarHBondContact CA-O 3.09Å; T123-E146 HydrophobicContact CG2-CB 4.19Å
124	L	98.6	Very high	97	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.7	173.1	179.1	55.3	0	0	0	109.8	L99 L115 L121 L126 M138 L141 L144 E146 L147 A148	L99-L124 HydrophobicContact CB-CD1 4.01Å; L99-L124 HydrophobicContact CD2-CD1 3.94Å; L99-L124 HydrophobicContact CG-CD1 3.96Å; L99-L124 WeakPolarHBondContact O-CA 3.43Å; L115-L124 HydrophobicContact CD2-CD2 4.44Å; L121-L124 HydrophobicContact CD2-CB 3.86Å; L121-L124 HydrophobicContact CD2-CD1 4.25Å; L121-L124 HydrophobicContact CD2-CD2 4.18Å; L121-L124 HydrophobicContact CD2-CG 4.32Å; L124-L126 HydrophobicContact CD1-CD1 4.4Å; L124-L126 HydrophobicContact CD1-CD2 4.38Å; L124-L126 HydrophobicContact CD1-CG 4.03Å; L124-L126 HydrophobicContact CD2-CD1 3.88Å; L124-L126 HydrophobicContact CD2-CG 4.38Å; L124-L126 HydrophobicContact CG-CD1 4.04Å; L124-L126 HydrophobicContact CG-CG 4.02Å; L124-M138 HydrophobicContact CD2-CE 3.32Å; L124-L141 HydrophobicContact CD2-CD1 4.43Å; L124-L144 HydrophobicContact CB-CD1 3.84Å; L124-E146 PolarHBondContact N-O 3.07Å; L124-L147 HydrophobicContact CB-CD1 4.05Å; L124-L147 HydrophobicContact CD2-CD1 4.01Å; L124-L147 HydrophobicContact CG-CD1 4.02Å; L124-L147 WeakPolarHBondContact O-CA 3.3Å; L124-A148 PolarHBondContact O-N 2.93Å
125	N	98.4	Very high	96.9	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.171	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	115.1	174.7	-169.7	-3.4	0	0	0	111	L99 N100 L101 A102 G127 A148	L99-N125 PolarHBondContact O-N 3.37Å; N100-N125 HydrophobicContact CB-CB 4.49Å; L101-N125 CarbonylContact C-O 3.16Å; L101-N125 WeakPolarHBondContact CA-O 3.43Å; L101-N125 PolarHBondContact N-O 3.26Å; A102-N125 WeakPolarHBondContact CB-OD1 3.22Å; A102-N125 PolarHBondContact N-O 3.09Å; N125-G127 PolarHBondContact OD1-N 2.92Å; N125-G127 VanDerWaalsContact OD1-N 3.09Å; N125-A148 HydrophobicContact CB-CB 4.21Å; N125-A148 VanDerWaalsContact OD1-CB 3.31Å; N125-A148 WeakPolarHBondContact OD1-CB 3.42Å
126	L	97.9	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.			trans	-120.4	11.2	179.4	-70.4	168	0	0	0	111.5	L101 L106 L111 L124 N129 L131 L134 A148 L149 N152	L101-L126 HydrophobicContact CB-CD2 4Å; L101-L126 HydrophobicContact CD1-CD2 3.9Å; L106-L126 HydrophobicContact CD1-CD2 4.32Å; L111-L126 HydrophobicContact CD1-CD1 4.42Å; L111-L126 HydrophobicContact CD2-CD2 4.15Å; L124-L126 HydrophobicContact CD1-CD1 4.4Å; L124-L126 HydrophobicContact CD1-CD2 4.38Å; L124-L126 HydrophobicContact CD1-CG 4.03Å; L124-L126 HydrophobicContact CD2-CD1 3.88Å; L124-L126 HydrophobicContact CD2-CG 4.38Å; L124-L126 HydrophobicContact CG-CD1 4.04Å; L124-L126 HydrophobicContact CG-CG 4.02Å; L126-N129 PolarHBondContact O-ND2 2.64Å; L126-L131 HydrophobicContact CB-CD1 3.78Å; L126-L131 HydrophobicContact CD1-CD1 4.22Å; L126-L131 HydrophobicContact CD2-CD1 4.34Å; L126-L131 HydrophobicContact CG-CD1 4.35Å; L126-L134 HydrophobicContact CD1-CD2 3.78Å; L126-A148 CarbonylContact C-O 3.41Å; L126-A148 WeakPolarHBondContact CA-O 3.45Å; L126-A148 PolarHBondContact N-O 2.95Å; L126-L149 HydrophobicContact CB-CD2 4.02Å; L126-L149 HydrophobicContact CD1-CD2 4.09Å; L126-N152 PolarHBondContact O-ND2 3.16Å
127	G	89.3	Confident	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.			trans	-64.1	162.7	-177.4	0	0	0	0	0	113.7	A102 N103 N125 N129 A148 F150	A102-G127 CarbonylContact C-O 3.38Å; A102-G127 WeakPolarHBondContact CA-O 3.42Å; A102-G127 WeakPolarHBondContact CB-O 3.13Å; N103-G127 PolarHBondContact N-O 2.98Å; N125-G127 PolarHBondContact OD1-N 2.92Å; N125-G127 VanDerWaalsContact OD1-N 3.09Å; G127-N129 PolarHBondContact O-ND2 3.39Å; G127-A148 PolarHBondContact N-O 3.3Å; G127-F150 CarbonylContact C-O 3.51Å; G127-F150 WeakPolarHBondContact CA-O 3.2Å
128	L	93	Very high	96.8	Very high	67 Å²	67	35 Å²	35	35%	0.351	20%	0.2	S	C	.	.	S	Bend	trans	54.3	54.4	-178.4	-62.6	159.2	0	0	0	111.6	N103 N104 F150 D151	N103-L128 WeakPolarHBondContact CA-O 3.35Å; N103-L128 HydrophobicContact CB-CB 4.04Å; N103-L128 HydrophobicContact CB-CD1 4.14Å; N103-L128 PolarHBondContact N-O 3.34Å; N104-L128 PolarHBondContact N-O 3.23Å; L128-F150 HydrophobicContact CD1-CE2 3.7Å; L128-F150 HydrophobicContact CD1-CZ 4.21Å; L128-F150 HydrophobicContact CD2-CE2 4.45Å; L128-F150 HydrophobicContact CG-CD2 4.24Å; L128-F150 HydrophobicContact CG-CE2 3.61Å; L128-F150 HydrophobicContact CG-CZ 4.35Å; L128-F150 PolarHBondContact N-O 2.8Å; L128-D151 WeakPolarHBondContact CA-O 3.48Å; L128-D151 HydrophobicContact CB-CB 4.42Å; L128-D151 HydrophobicContact CD2-CB 3.49Å; L128-D151 VanDerWaalsContact CD2-CB 3.49Å; L128-D151 HydrophobicContact CG-CB 3.89Å; L128-D151 PolarHBondContact N-O 2.62Å
129	N	97.8	Very high	96.6	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	22%	0.222	C	C	.	.	S	Bend	trans	-132	-163.8	174.9	-82.1	-72.4	0	0	0	109.4	L101 N104 R105 L106 L126 G127 L131 D151 N152	L101-N129 PolarHBondContact O-ND2 2.8Å; L101-N129 VanDerWaalsContact O-ND2 3.12Å; N104-N129 VanDerWaalsContact CA-OD1 3.32Å; N104-N129 WeakPolarHBondContact CA-OD1 3.43Å; N104-N129 WeakPolarHBondContact CB-OD1 3.2Å; N104-N129 PolarHBondContact N-OD1 3.11Å; N104-N129 PolarHBondContact O-OD1 3.12Å; R105-N129 PolarHBondContact N-OD1 2.85Å; L106-N129 HydrophobicContact CB-CB 4.25Å; L106-N129 WeakPolarHBondContact CB-OD1 3.23Å; L106-N129 PolarHBondContact N-OD1 2.86Å; L126-N129 PolarHBondContact O-ND2 2.64Å; G127-N129 PolarHBondContact O-ND2 3.39Å; N129-L131 HydrophobicContact CB-CD1 4.34Å; N129-L131 HydrophobicContact CB-CG 4.01Å; N129-D151 PolarHBondContact N-O 3.24Å; N129-D151 VanDerWaalsContact N-O 3.12Å; N129-N152 VanDerWaalsContact CA-OD1 3.31Å; N129-N152 WeakPolarHBondContact CA-OD1 3.37Å; N129-N152 WeakPolarHBondContact CB-OD1 3.3Å; N129-N152 PolarHBondContact N-OD1 3.04Å; N129-N152 PolarHBondContact O-OD1 2.96Å
130	Q	97.2	Very high	96.7	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-119.1	38.9	-179.8	-65.7	148	46.8	0	0	110.1	L106 T107 N152	L106-Q130 CarbonylContact O-C 3.36Å; L106-Q130 WeakPolarHBondContact O-CA 3.29Å; L106-Q130 WeakPolarHBondContact O-CB 3.46Å; L106-Q130 PolarHBondContact O-N 2.93Å; T107-Q130 HydrophobicContact CG2-CB 4.18Å; Q130-N152 PolarHBondContact N-OD1 2.77Å
131	L	97.1	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.			trans	-85.2	130.8	-176.6	-56.5	174.3	0	0	0	110.9	L106 T107 L111 L126 N129 L134 N152 Q153 F154	L106-L131 HydrophobicContact CB-CD2 4.16Å; T107-L131 VanDerWaalsContact C-CD2 3.42Å; L111-L131 HydrophobicContact CD1-CD1 4.06Å; L111-L131 HydrophobicContact CD1-CD2 3.65Å; L111-L131 HydrophobicContact CG-CD2 3.98Å; L126-L131 HydrophobicContact CB-CD1 3.78Å; L126-L131 HydrophobicContact CD1-CD1 4.22Å; L126-L131 HydrophobicContact CD2-CD1 4.34Å; L126-L131 HydrophobicContact CG-CD1 4.35Å; N129-L131 HydrophobicContact CB-CD1 4.34Å; N129-L131 HydrophobicContact CB-CG 4.01Å; L131-L134 HydrophobicContact CD1-CD2 4.24Å; L131-N152 HydrophobicContact CB-CB 4.31Å; L131-N152 VanDerWaalsContact CB-OD1 3.31Å; L131-N152 WeakPolarHBondContact CB-OD1 3.38Å; L131-N152 WeakPolarHBondContact CG-OD1 3.3Å; L131-N152 PolarHBondContact N-OD1 3.26Å; L131-N152 WeakPolarHBondContact O-CB 3.37Å; L131-Q153 CarbonylContact O-C 3.46Å; L131-Q153 VanDerWaalsContact O-CA 3.31Å; L131-Q153 WeakPolarHBondContact O-CA 3.35Å; L131-Q153 WeakPolarHBondContact O-CB 3.49Å; L131-Q153 PolarHBondContact O-N 3.42Å; L131-F154 HydrophobicContact CB-CE2 3.81Å; L131-F154 HydrophobicContact CB-CZ 3.81Å; L131-F154 PolarHBondContact O-N 3.11Å
132	D	96.3	Very high	96.3	Very high	92 Å²	92	42.3 Å²	42.3	49%	0.492	23%	0.234	S	C	.	.	S	Bend	trans	-111.6	-14.8	170.8	60.4	0.9	0	0	0	112.5	S108 Q153 F154	S108-D132 VanDerWaalsContact CB-OD1 3.31Å; S108-D132 WeakPolarHBondContact CB-OD1 3.23Å; S108-D132 PolarHBondContact OG-N 3.34Å; S108-D132 VanDerWaalsContact OG-N 3.15Å; S108-D132 PolarHBondContact OG-OD1 2.76Å; D132-Q153 HydrophobicContact CB-CB 4.21Å; D132-F154 WeakPolarHBondContact O-CD1 3.49Å
133	A	96.8	Very high	96.3	Very high	45 Å²	45	41 Å²	41	37%	0.372	23%	0.231	S	C	.	.			trans	-149.1	166.6	-179.9	0	0	0	0	0	110.7	S108	S108-A133 PolarHBondContact OG-N 2.97Å; S108-A133 PolarHBondContact OG-O 3.31Å; S108-A133 VanDerWaalsContact OG-O 3.1Å
134	L	97.5	Very high	96.2	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	22%	0.223	C	C	.	.			trans	-124.9	148.4	171.9	-65.8	175.8	0	0	0	108.9	L111 L126 L131 S136 M138 L149 F154 P158 F160	L111-L134 HydrophobicContact CD1-CD2 3.76Å; L126-L134 HydrophobicContact CD1-CD2 3.78Å; L131-L134 HydrophobicContact CD1-CD2 4.24Å; L134-S136 PolarHBondContact O-N 3.11Å; L134-M138 HydrophobicContact CB-SD 3.91Å; L134-M138 HydrophobicContact CD1-CE 4.28Å; L134-M138 HydrophobicContact CD1-SD 4.31Å; L134-M138 HydrophobicContact CD2-SD 4.12Å; L134-M138 HydrophobicContact CG-SD 4.33Å; L134-L149 HydrophobicContact CD1-CD1 3.95Å; L134-L149 HydrophobicContact CD1-CD2 3.9Å; L134-L149 HydrophobicContact CD2-CD2 4.14Å; L134-L149 HydrophobicContact CG-CD2 4.49Å; L134-F154 HydrophobicContact CD1-CZ 4.29Å; L134-F154 HydrophobicContact CD2-CZ 3.92Å; L134-F154 HydrophobicContact CG-CE1 3.95Å; L134-F154 HydrophobicContact CG-CZ 3.73Å; L134-P158 HydrophobicContact CD1-CB 4.41Å; L134-P158 HydrophobicContact CD1-CG 3.99Å; L134-F160 HydrophobicContact CB-CE1 3.78Å; L134-F160 HydrophobicContact CB-CZ 3.74Å; L134-F160 HydrophobicContact CD1-CE1 4.44Å; L134-F160 HydrophobicContact CD1-CZ 3.7Å; L134-F160 HydrophobicContact CG-CZ 4.38Å
135	P	96.9	Very high	96	Very high	23 Å²	23	43.6 Å²	43.6	15%	0.149	24%	0.241	C	C	.	.			trans	-55.8	132.5	172.8	-23.8	33.1	0	0	0	111.4	L111 T137 M138	L111-P135 HydrophobicContact CB-CG 3.83Å; P135-T137 PolarHBondContact O-N 2.75Å; P135-M138 WeakPolarHBondContact O-CB 3.33Å; P135-M138 WeakPolarHBondContact O-CG 3.14Å; P135-M138 PolarHBondContact O-N 3.29Å
136	S	95.8	Very high	95.9	Very high	87 Å²	87	45.1 Å²	45.1	61%	0.608	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-60	-29.4	-180	53.2	0	0	0	0	112.8	L134 M138 E139	L134-S136 PolarHBondContact O-N 3.11Å; S136-M138 PolarHBondContact O-N 3.08Å; S136-E139 WeakPolarHBondContact O-CB 3.25Å; S136-E139 VanDerWaalsContact O-CG 3.29Å; S136-E139 WeakPolarHBondContact O-CG 3.26Å; S136-E139 PolarHBondContact O-N 3.41Å
137	T	96.8	Very high	95.7	Very high	37 Å²	37	45.3 Å²	45.3	23%	0.227	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.2	-19.3	174.8	54.1	0	0	0	0	113.9	S113 G116 P135 E139 Q140	S113-T137 WeakPolarHBondContact O-CB 3.35Å; S113-T137 PolarHBondContact O-OG1 2.85Å; G116-T137 WeakPolarHBondContact CA-O 3.34Å; P135-T137 PolarHBondContact O-N 2.75Å; T137-E139 PolarHBondContact O-N 3.26Å; T137-E139 VanDerWaalsContact O-N 3.15Å; T137-Q140 VanDerWaalsContact O-CB 3.3Å; T137-Q140 WeakPolarHBondContact O-CB 3.31Å; T137-Q140 WeakPolarHBondContact O-CG 3.13Å; T137-Q140 PolarHBondContact O-N 3.44Å
138	M	97	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.1	-12.7	174.1	-70.6	-175.7	61.8	0	0	113.5	L115 L124 L134 P135 S136 Q140 L141 F160	L115-M138 HydrophobicContact CD2-CE 4.44Å; L115-M138 HydrophobicContact CD2-SD 3.95Å; L124-M138 HydrophobicContact CD2-CE 3.32Å; L134-M138 HydrophobicContact CB-SD 3.91Å; L134-M138 HydrophobicContact CD1-CE 4.28Å; L134-M138 HydrophobicContact CD1-SD 4.31Å; L134-M138 HydrophobicContact CD2-SD 4.12Å; L134-M138 HydrophobicContact CG-SD 4.33Å; P135-M138 WeakPolarHBondContact O-CB 3.33Å; P135-M138 WeakPolarHBondContact O-CG 3.14Å; P135-M138 PolarHBondContact O-N 3.29Å; S136-M138 PolarHBondContact O-N 3.08Å; M138-Q140 PolarHBondContact O-N 2.99Å; M138-Q140 VanDerWaalsContact O-N 3.15Å; M138-L141 HydrophobicContact CB-CD1 4.08Å; M138-L141 HydrophobicContact CE-CD1 3.81Å; M138-L141 HydrophobicContact CG-CD1 4.18Å; M138-L141 WeakPolarHBondContact O-CB 3.22Å; M138-L141 WeakPolarHBondContact O-CG 3.31Å; M138-L141 PolarHBondContact O-N 3.02Å; M138-L141 VanDerWaalsContact O-N 3.13Å; M138-F160 HydrophobicContact CB-CE1 4.25Å; M138-F160 HydrophobicContact CB-CE2 3.85Å; M138-F160 HydrophobicContact CB-CZ 3.64Å; M138-F160 HydrophobicContact SD-CZ 4.45Å
139	E	94.9	Very high	95.8	Very high	96 Å²	96	43 Å²	43	45%	0.449	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57.2	-22.8	167.6	74.7	-176.2	173.4	0	0	113.1	S136 T137 L141 F160	S136-E139 WeakPolarHBondContact O-CB 3.25Å; S136-E139 VanDerWaalsContact O-CG 3.29Å; S136-E139 WeakPolarHBondContact O-CG 3.26Å; S136-E139 PolarHBondContact O-N 3.41Å; T137-E139 PolarHBondContact O-N 3.26Å; T137-E139 VanDerWaalsContact O-N 3.15Å; E139-L141 VanDerWaalsContact C-N 3.25Å; E139-L141 PolarHBondContact O-N 3.42Å; E139-F160 HydrophobicContact CB-CB 3.82Å; E139-F160 HydrophobicContact CB-CG 4.34Å
140	Q	95.9	Very high	95.4	Very high	104 Å²	104	44.5 Å²	44.5	49%	0.486	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-76.9	-8.1	179.7	-61.6	174	9.1	0	0	113.5	T137 M138 S142	T137-Q140 VanDerWaalsContact O-CB 3.3Å; T137-Q140 WeakPolarHBondContact O-CB 3.31Å; T137-Q140 WeakPolarHBondContact O-CG 3.13Å; T137-Q140 PolarHBondContact O-N 3.44Å; M138-Q140 PolarHBondContact O-N 2.99Å; M138-Q140 VanDerWaalsContact O-N 3.15Å; Q140-S142 PolarHBondContact O-N 2.97Å
141	L	96.4	Very high	95.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.232	C	C	.	.			trans	-75.2	60	179.4	-59.6	178.2	0	0	0	111.7	L118 L121 L124 M138 E139 L143 L144 L164	L118-L141 HydrophobicContact CB-CD2 4.01Å; L118-L141 VanDerWaalsContact O-CD2 3.25Å; L118-L141 WeakPolarHBondContact O-CD2 3.07Å; L121-L141 HydrophobicContact CB-CD2 4.46Å; L121-L141 HydrophobicContact CD2-CD1 4.47Å; L124-L141 HydrophobicContact CD2-CD1 4.43Å; M138-L141 HydrophobicContact CB-CD1 4.08Å; M138-L141 HydrophobicContact CE-CD1 3.81Å; M138-L141 HydrophobicContact CG-CD1 4.18Å; M138-L141 WeakPolarHBondContact O-CB 3.22Å; M138-L141 WeakPolarHBondContact O-CG 3.31Å; M138-L141 PolarHBondContact O-N 3.02Å; M138-L141 VanDerWaalsContact O-N 3.13Å; E139-L141 VanDerWaalsContact C-N 3.25Å; E139-L141 PolarHBondContact O-N 3.42Å; L141-L143 PolarHBondContact O-N 3Å; L141-L143 VanDerWaalsContact O-N 3.1Å; L141-L144 HydrophobicContact CB-CB 3.99Å; L141-L144 HydrophobicContact CB-CD2 4.48Å; L141-L144 HydrophobicContact CD1-CD2 4.23Å; L141-L144 VanDerWaalsContact O-CB 3.22Å; L141-L144 WeakPolarHBondContact O-CB 3.2Å; L141-L144 PolarHBondContact O-N 3.27Å; L141-L164 HydrophobicContact CB-CD2 4.38Å
142	S	92.6	Very high	95	Very high	67 Å²	67	42.2 Å²	42.2	47%	0.469	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.6	-171.8	59	0	0	0	0	114.7	Q140 N166	Q140-S142 PolarHBondContact O-N 2.97Å; S142-N166 PolarHBondContact O-ND2 3.27Å
143	L	97.4	Very high	95	Very high	65 Å²	65	42.5 Å²	42.5	34%	0.34	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3.9	177.2	-62	-175	0	0	0	113.8	C119 L121 L141 Q145	C119-L143 WeakPolarHBondContact O-CB 3.31Å; C119-L143 WeakPolarHBondContact O-CG 3.31Å; L121-L143 CarbonylContact O-C 3.33Å; L141-L143 PolarHBondContact O-N 3Å; L141-L143 VanDerWaalsContact O-N 3.1Å; L143-Q145 PolarHBondContact O-N 3.23Å
144	L	97.3	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.			trans	-67.8	125.3	-179.1	-164.5	71.3	0	0	0	110.6	L121 L124 L141 L147 L164 N166 L167	L121-L144 HydrophobicContact CD2-CD1 4.23Å; L121-L144 HydrophobicContact CG-CD1 4.17Å; L121-L144 VanDerWaalsContact O-CA 3.23Å; L121-L144 WeakPolarHBondContact O-CA 3.42Å; L121-L144 PolarHBondContact O-N 2.75Å; L121-L144 VanDerWaalsContact O-N 3.15Å; L124-L144 HydrophobicContact CB-CD1 3.84Å; L141-L144 HydrophobicContact CB-CB 3.99Å; L141-L144 HydrophobicContact CB-CD2 4.48Å; L141-L144 HydrophobicContact CD1-CD2 4.23Å; L141-L144 VanDerWaalsContact O-CB 3.22Å; L141-L144 WeakPolarHBondContact O-CB 3.2Å; L141-L144 PolarHBondContact O-N 3.27Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.36Å; L144-L147 HydrophobicContact CD2-CD2 4.39Å; L144-L147 HydrophobicContact CD2-CG 4.5Å; L144-L164 HydrophobicContact CD2-CD1 4.05Å; L144-N166 CarbonylContact O-C 3.21Å; L144-L167 HydrophobicContact CD2-CD1 4.24Å; L144-L167 HydrophobicContact CG-CD1 4.23Å; L144-L167 WeakPolarHBondContact O-CA 3.45Å; L144-L167 PolarHBondContact O-N 2.87Å; L144-L167 VanDerWaalsContact O-N 3.16Å
145	Q	94.9	Very high	94.2	Very high	83 Å²	83	45.2 Å²	45.2	39%	0.388	24%	0.241	S	C	.	.			trans	-109.5	-35.3	-177.6	-65.3	176.8	-30.5	0	0	112	K122 L143 N166 T168 K169	K122-Q145 WeakPolarHBondContact O-CA 3.45Å; K122-Q145 PolarHBondContact O-N 2.94Å; L143-Q145 PolarHBondContact O-N 3.23Å; Q145-N166 WeakPolarHBondContact CA-O 3.34Å; Q145-T168 PolarHBondContact O-N 3.5Å; Q145-T168 PolarHBondContact O-OG1 3.36Å; Q145-T168 VanDerWaalsContact O-OG1 3.06Å; Q145-K169 PolarHBondContact O-N 3.1Å
146	E	94.3	Very high	93.7	Very high	65 Å²	65	51 Å²	51	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.3	-175.6	-56.2	-171.9	160.2	0	0	110.4	K122 T123 L124 K169	K122-E146 PolarHBondContact O-N 3.34Å; T123-E146 WeakPolarHBondContact CA-O 3.09Å; T123-E146 HydrophobicContact CG2-CB 4.19Å; L124-E146 PolarHBondContact N-O 3.07Å; E146-K169 WeakPolarHBondContact CA-O 3.18Å; E146-K169 HydrophobicContact CB-CB 4.47Å; E146-K169 HydrophobicContact CG-CB 4.18Å; E146-K169 HydrophobicContact CG-CD 4.12Å; E146-K169 HydrophobicContact CG-CG 4.43Å; E146-K169 WeakPolarHBondContact OE1-CD 3.42Å; E146-K169 WeakPolarHBondContact OE1-CE 3.32Å; E146-K169 IonicContact OE1-NZ 2.59Å; E146-K169 PolarHBondContact OE1-NZ 3.12Å
147	L	94.3	Very high	93.3	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.8	176.8	-179.8	58.1	0	0	0	110.4	L124 L144 L149 L161 L167 K169 V170 N171	L124-L147 HydrophobicContact CB-CD1 4.05Å; L124-L147 HydrophobicContact CD2-CD1 4.01Å; L124-L147 HydrophobicContact CG-CD1 4.02Å; L124-L147 WeakPolarHBondContact O-CA 3.3Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.36Å; L144-L147 HydrophobicContact CD2-CD2 4.39Å; L144-L147 HydrophobicContact CD2-CG 4.5Å; L147-L149 HydrophobicContact CD1-CD2 4.11Å; L147-L149 HydrophobicContact CD1-CG 4.22Å; L147-L149 HydrophobicContact CD2-CD1 3.95Å; L147-L149 HydrophobicContact CD2-CG 4.33Å; L147-L149 HydrophobicContact CG-CD1 4.11Å; L147-L149 HydrophobicContact CG-CD2 4.38Å; L147-L149 HydrophobicContact CG-CG 3.96Å; L147-L161 HydrophobicContact CD2-CD2 3.52Å; L147-L167 HydrophobicContact CB-CD1 3.88Å; L147-K169 PolarHBondContact N-O 2.78Å; L147-V170 VanDerWaalsContact O-CA 3.3Å; L147-V170 WeakPolarHBondContact O-CA 3.31Å; L147-N171 PolarHBondContact O-N 3.18Å
148	A	92.9	Very high	92.8	Very high	18 Å²	18	49.7 Å²	49.7	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.3	176.7	0	0	0	0	0	110.9	L124 N125 L126 G127 F150	L124-A148 PolarHBondContact O-N 2.93Å; N125-A148 HydrophobicContact CB-CB 4.21Å; N125-A148 VanDerWaalsContact OD1-CB 3.31Å; N125-A148 WeakPolarHBondContact OD1-CB 3.42Å; L126-A148 CarbonylContact C-O 3.41Å; L126-A148 WeakPolarHBondContact CA-O 3.45Å; L126-A148 PolarHBondContact N-O 2.95Å; G127-A148 PolarHBondContact N-O 3.3Å; A148-F150 HydrophobicContact CB-CD1 3.99Å; A148-F150 HydrophobicContact CB-CE1 4.02Å
149	L	91.8	Very high	92.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.			trans	-126.3	9.1	-178.4	-62.3	172.6	0	0	0	112.3	L126 L134 L147 N152 F154 P158 N171 L172 N175	L126-L149 HydrophobicContact CB-CD2 4.02Å; L126-L149 HydrophobicContact CD1-CD2 4.09Å; L134-L149 HydrophobicContact CD1-CD1 3.95Å; L134-L149 HydrophobicContact CD1-CD2 3.9Å; L134-L149 HydrophobicContact CD2-CD2 4.14Å; L134-L149 HydrophobicContact CG-CD2 4.49Å; L147-L149 HydrophobicContact CD1-CD2 4.11Å; L147-L149 HydrophobicContact CD1-CG 4.22Å; L147-L149 HydrophobicContact CD2-CD1 3.95Å; L147-L149 HydrophobicContact CD2-CG 4.33Å; L147-L149 HydrophobicContact CG-CD1 4.11Å; L147-L149 HydrophobicContact CG-CD2 4.38Å; L147-L149 HydrophobicContact CG-CG 3.96Å; L149-N152 PolarHBondContact O-ND2 3.35Å; L149-F154 HydrophobicContact CB-CD2 4.37Å; L149-F154 HydrophobicContact CB-CE2 4.03Å; L149-F154 HydrophobicContact CD1-CE2 4.3Å; L149-F154 HydrophobicContact CD1-CZ 4.4Å; L149-F154 HydrophobicContact CD2-CE2 3.93Å; L149-F154 HydrophobicContact CD2-CZ 4.08Å; L149-F154 HydrophobicContact CG-CE2 4.31Å; L149-P158 HydrophobicContact CD1-CG 4.23Å; L149-N171 CarbonylContact C-O 3.43Å; L149-N171 WeakPolarHBondContact CA-O 3.17Å; L149-N171 PolarHBondContact N-O 3.26Å; L149-L172 HydrophobicContact CB-CD2 3.85Å; L149-L172 HydrophobicContact CD1-CD2 3.78Å; L149-L172 HydrophobicContact CG-CD2 4.48Å; L149-N175 PolarHBondContact O-ND2 3.1Å
150	F	90.5	Very high	91.9	Very high	44 Å²	44	54.1 Å²	54.1	19%	0.193	27%	0.272	C	S	.	.			trans	-55.4	149.1	-178.4	66.5	-82.5	0	0	0	111.6	G127 L128 A148 N152 N171 I173	G127-F150 CarbonylContact C-O 3.51Å; G127-F150 WeakPolarHBondContact CA-O 3.2Å; L128-F150 HydrophobicContact CD1-CE2 3.7Å; L128-F150 HydrophobicContact CD1-CZ 4.21Å; L128-F150 HydrophobicContact CD2-CE2 4.45Å; L128-F150 HydrophobicContact CG-CD2 4.24Å; L128-F150 HydrophobicContact CG-CE2 3.61Å; L128-F150 HydrophobicContact CG-CZ 4.35Å; L128-F150 PolarHBondContact N-O 2.8Å; A148-F150 HydrophobicContact CB-CD1 3.99Å; A148-F150 HydrophobicContact CB-CE1 4.02Å; F150-N152 PolarHBondContact O-ND2 2.83Å; F150-N171 PolarHBondContact N-O 3.04Å; F150-I173 CarbonylContact C-O 3.55Å; F150-I173 WeakPolarHBondContact CA-O 3.15Å; F150-I173 VanDerWaalsContact CB-O 3.29Å; F150-I173 WeakPolarHBondContact CB-O 3.21Å
151	D	90.8	Very high	91.5	Very high	23 Å²	23	50 Å²	50	12%	0.123	25%	0.254	C	S	.	.	S	Bend	trans	56	62.4	179.2	-73.5	-56.8	0	0	0	114.4	L128 N129 I173 R174	L128-D151 WeakPolarHBondContact CA-O 3.48Å; L128-D151 HydrophobicContact CB-CB 4.42Å; L128-D151 HydrophobicContact CD2-CB 3.49Å; L128-D151 VanDerWaalsContact CD2-CB 3.49Å; L128-D151 HydrophobicContact CG-CB 3.89Å; L128-D151 PolarHBondContact N-O 2.62Å; N129-D151 PolarHBondContact N-O 3.24Å; N129-D151 VanDerWaalsContact N-O 3.12Å; D151-I173 PolarHBondContact N-O 2.83Å; D151-R174 WeakPolarHBondContact CA-O 3.47Å; D151-R174 WeakPolarHBondContact OD1-CB 3.38Å; D151-R174 VanDerWaalsContact OD1-CD 3.26Å; D151-R174 WeakPolarHBondContact OD1-CD 3.43Å; D151-R174 IonicContact OD1-CZ 2.63Å; D151-R174 IonicContact OD1-NE 2.91Å; D151-R174 PolarHBondContact OD1-NE 3.13Å; D151-R174 IonicContact OD1-NH1 3.97Å; D151-R174 PolarHBondContact OD1-NH1 3.15Å; D151-R174 IonicContact OD1-NH2 2.87Å; D151-R174 PolarHBondContact OD1-NH2 3.31Å; D151-R174 WeakPolarHBondContact OD2-CD 3.37Å; D151-R174 IonicContact OD2-CZ 3.28Å; D151-R174 VanDerWaalsContact OD2-CZ 3.28Å; D151-R174 IonicContact OD2-NE 2.75Å; D151-R174 IonicContact OD2-NH1 3.22Å; D151-R174 PolarHBondContact OD2-NH1 2.89Å
152	N	94.1	Very high	90.9	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.064	29%	0.287	C	S	.	.	S	Bend	trans	-137.5	-163.6	174.6	-85.1	-71.8	0	0	0	108.7	L126 N129 Q130 L131 L149 F150 F154 N175	L126-N152 PolarHBondContact O-ND2 3.16Å; N129-N152 VanDerWaalsContact CA-OD1 3.31Å; N129-N152 WeakPolarHBondContact CA-OD1 3.37Å; N129-N152 WeakPolarHBondContact CB-OD1 3.3Å; N129-N152 PolarHBondContact N-OD1 3.04Å; N129-N152 PolarHBondContact O-OD1 2.96Å; Q130-N152 PolarHBondContact N-OD1 2.77Å; L131-N152 HydrophobicContact CB-CB 4.31Å; L131-N152 VanDerWaalsContact CB-OD1 3.31Å; L131-N152 WeakPolarHBondContact CB-OD1 3.38Å; L131-N152 WeakPolarHBondContact CG-OD1 3.3Å; L131-N152 PolarHBondContact N-OD1 3.26Å; L131-N152 WeakPolarHBondContact O-CB 3.37Å; L149-N152 PolarHBondContact O-ND2 3.35Å; F150-N152 PolarHBondContact O-ND2 2.83Å; N152-F154 HydrophobicContact CB-CD2 3.65Å; N152-F154 HydrophobicContact CB-CE2 3.76Å; N152-N175 VanDerWaalsContact CA-OD1 3.22Å; N152-N175 WeakPolarHBondContact CA-OD1 3.39Å; N152-N175 WeakPolarHBondContact CB-OD1 3.35Å; N152-N175 PolarHBondContact N-OD1 3.27Å; N152-N175 PolarHBondContact O-OD1 3.28Å; N152-N175 VanDerWaalsContact O-OD1 3.11Å
153	Q	96	Very high	90.6	Very high	98 Å²	98	56.6 Å²	56.6	46%	0.458	29%	0.29	S	S	.	.			trans	-115.1	21.2	-173.7	-56.6	177.3	21.2	0	0	112	L131 D132 I155 N175	L131-Q153 CarbonylContact O-C 3.46Å; L131-Q153 VanDerWaalsContact O-CA 3.31Å; L131-Q153 WeakPolarHBondContact O-CA 3.35Å; L131-Q153 WeakPolarHBondContact O-CB 3.49Å; L131-Q153 PolarHBondContact O-N 3.42Å; D132-Q153 HydrophobicContact CB-CB 4.21Å; Q153-I155 PolarHBondContact O-N 3.35Å; Q153-N175 PolarHBondContact N-OD1 3.14Å
154	F	88.1	Confident	90.2	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.013	28%	0.275	C	S	.	.			trans	-64.8	117.1	-178.9	-71.5	-79.7	0	0	0	111.5	L131 D132 L134 L149 N152 P158 N175 P176 C177	L131-F154 HydrophobicContact CB-CE2 3.81Å; L131-F154 HydrophobicContact CB-CZ 3.81Å; L131-F154 PolarHBondContact O-N 3.11Å; D132-F154 WeakPolarHBondContact O-CD1 3.49Å; L134-F154 HydrophobicContact CD1-CZ 4.29Å; L134-F154 HydrophobicContact CD2-CZ 3.92Å; L134-F154 HydrophobicContact CG-CE1 3.95Å; L134-F154 HydrophobicContact CG-CZ 3.73Å; L149-F154 HydrophobicContact CB-CD2 4.37Å; L149-F154 HydrophobicContact CB-CE2 4.03Å; L149-F154 HydrophobicContact CD1-CE2 4.3Å; L149-F154 HydrophobicContact CD1-CZ 4.4Å; L149-F154 HydrophobicContact CD2-CE2 3.93Å; L149-F154 HydrophobicContact CD2-CZ 4.08Å; L149-F154 HydrophobicContact CG-CE2 4.31Å; N152-F154 HydrophobicContact CB-CD2 3.65Å; N152-F154 HydrophobicContact CB-CE2 3.76Å; F154-P158 HydrophobicContact CD1-CG 4.25Å; F154-P158 HydrophobicContact CE1-CG 4.05Å; F154-N175 HydrophobicContact CB-CB 4.14Å; F154-N175 VanDerWaalsContact CD2-OD1 3.31Å; F154-N175 WeakPolarHBondContact CD2-OD1 3.33Å; F154-N175 PolarHBondContact N-OD1 3.11Å; F154-N175 VanDerWaalsContact N-OD1 3.08Å; F154-P176 VanDerWaalsContact O-CD 3.26Å; F154-P176 WeakPolarHBondContact O-CD 3.34Å; F154-C177 WeakPolarHBondContact O-CB 3.36Å; F154-C177 PolarHBondContact O-N 3.34Å; F154-C177 PolarHBondContact O-SG 2.96Å
155	I	89.6	Confident	89.7	Confident	120 Å²	120	65 Å²	65	62%	0.615	32%	0.317	S	S	*	.	S	Bend	trans	-86.3	-19.3	172.9	58.5	164.3	0	0	0	113.1	Q153 P176 C177	Q153-I155 PolarHBondContact O-N 3.35Å; I155-P176 HydrophobicContact CG2-CB 4.12Å; I155-P176 HydrophobicContact CG2-CG 4.5Å; I155-C177 VanDerWaalsContact C-CB 3.48Å; I155-C177 WeakPolarHBondContact O-CB 3.35Å
156	K	86.9	Confident	89.5	Confident	144 Å²	144	64.5 Å²	64.5	63%	0.626	32%	0.318	S	S	*	.	S	Bend	trans	-136.8	157.8	176.5	-65.3	179.4	-177	-179.9	0	109.9
157	V	87.9	Confident	89.3	Confident	81 Å²	81	63.1 Å²	63.1	49%	0.491	31%	0.312	S	S	.	.			trans	-69.2	132.7	168.9	-177.9	0	0	0	0	108.3	E159 L161 L172	V157-E159 PolarHBondContact O-N 2.88Å; V157-L161 HydrophobicContact CG1-CD1 3.66Å; V157-L161 HydrophobicContact CG1-CG 4.5Å; V157-L172 HydrophobicContact CG1-CD1 4.14Å; V157-L172 HydrophobicContact CG2-CD1 4.15Å
158	P	85.3	Confident	88.9	Confident	16 Å²	16	68 Å²	68	10%	0.104	34%	0.342	C	S	.	.			trans	-57.5	129.4	178	-22.1	30.3	0	0	0	111.9	L134 L149 F154 F160 L161	L134-P158 HydrophobicContact CD1-CB 4.41Å; L134-P158 HydrophobicContact CD1-CG 3.99Å; L149-P158 HydrophobicContact CD1-CG 4.23Å; F154-P158 HydrophobicContact CD1-CG 4.25Å; F154-P158 HydrophobicContact CE1-CG 4.05Å; P158-F160 VanDerWaalsContact C-N 3.26Å; P158-F160 HydrophobicContact CB-CD1 4.38Å; P158-F160 HydrophobicContact CB-CE1 4Å; P158-F160 HydrophobicContact CB-CZ 4.17Å; P158-F160 PolarHBondContact O-N 2.76Å; P158-L161 HydrophobicContact CB-CG 4.09Å; P158-L161 HydrophobicContact CG-CD1 4.4Å; P158-L161 HydrophobicContact CG-CG 4.41Å; P158-L161 WeakPolarHBondContact O-CG 3.44Å; P158-L161 PolarHBondContact O-N 3.32Å
159	E	85.9	Confident	88.7	Confident	171 Å²	171	73.1 Å²	73.1	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.5	-168.6	-65.1	-179.2	175.5	0	0	113.9	V157 P162	V157-E159 PolarHBondContact O-N 2.88Å; E159-P162 VanDerWaalsContact O-CD 3.26Å; E159-P162 WeakPolarHBondContact O-CD 3.31Å
160	F	88.1	Confident	88.6	Confident	18 Å²	18	76.1 Å²	76.1	8%	0.079	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.3	178.5	64.5	-104.4	0	0	0	114.1	L134 M138 E139 P158 P162 N163 L164	L134-F160 HydrophobicContact CB-CE1 3.78Å; L134-F160 HydrophobicContact CB-CZ 3.74Å; L134-F160 HydrophobicContact CD1-CE1 4.44Å; L134-F160 HydrophobicContact CD1-CZ 3.7Å; L134-F160 HydrophobicContact CG-CZ 4.38Å; M138-F160 HydrophobicContact CB-CE1 4.25Å; M138-F160 HydrophobicContact CB-CE2 3.85Å; M138-F160 HydrophobicContact CB-CZ 3.64Å; M138-F160 HydrophobicContact SD-CZ 4.45Å; E139-F160 HydrophobicContact CB-CB 3.82Å; E139-F160 HydrophobicContact CB-CG 4.34Å; P158-F160 VanDerWaalsContact C-N 3.26Å; P158-F160 HydrophobicContact CB-CD1 4.38Å; P158-F160 HydrophobicContact CB-CE1 4Å; P158-F160 HydrophobicContact CB-CZ 4.17Å; P158-F160 PolarHBondContact O-N 2.76Å; F160-P162 VanDerWaalsContact C-CD 3.44Å; F160-P162 VanDerWaalsContact C-N 3.34Å; F160-N163 VanDerWaalsContact O-CB 3.3Å; F160-N163 WeakPolarHBondContact O-CB 3.18Å; F160-N163 PolarHBondContact O-N 3Å; F160-L164 HydrophobicContact CD2-CD1 4.12Å; F160-L164 HydrophobicContact CD2-CG 4.37Å; F160-L164 HydrophobicContact CE2-CD1 4.11Å
161	L	86.8	Confident	88.3	Confident	17 Å²	17	76.6 Å²	76.6	9%	0.089	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-56.1	-40.1	-178.2	-66.2	-171.9	0	0	0	113.7	L147 V157 P158 N163 L164 L167 V170	L147-L161 HydrophobicContact CD2-CD2 3.52Å; V157-L161 HydrophobicContact CG1-CD1 3.66Å; V157-L161 HydrophobicContact CG1-CG 4.5Å; P158-L161 HydrophobicContact CB-CG 4.09Å; P158-L161 HydrophobicContact CG-CD1 4.4Å; P158-L161 HydrophobicContact CG-CG 4.41Å; P158-L161 WeakPolarHBondContact O-CG 3.44Å; P158-L161 PolarHBondContact O-N 3.32Å; L161-N163 PolarHBondContact O-N 3.1Å; L161-L164 HydrophobicContact CD2-CD1 4.06Å; L161-L164 WeakPolarHBondContact O-CB 3.07Å; L161-L164 PolarHBondContact O-N 2.81Å; L161-L164 VanDerWaalsContact O-N 3.11Å; L161-L167 HydrophobicContact CB-CD2 4.49Å; L161-L167 HydrophobicContact CD2-CD2 4.09Å; L161-V170 HydrophobicContact CD1-CG1 4.06Å
162	P	84.7	Confident	88.2	Confident	110 Å²	110	76.7 Å²	76.7	71%	0.714	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-61.4	-22.4	174.5	-23.7	36.1	0	0	0	114.2	E159 F160 L164	E159-P162 VanDerWaalsContact O-CD 3.26Å; E159-P162 WeakPolarHBondContact O-CD 3.31Å; F160-P162 VanDerWaalsContact C-CD 3.44Å; F160-P162 VanDerWaalsContact C-N 3.34Å; P162-L164 VanDerWaalsContact C-N 3.29Å
163	N	85.7	Confident	87.7	Confident	97 Å²	97	81.3 Å²	81.3	52%	0.519	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-76.7	-18.6	178.2	-61.7	-16.2	0	0	0	112.1	F160 L161 R165	F160-N163 VanDerWaalsContact O-CB 3.3Å; F160-N163 WeakPolarHBondContact O-CB 3.18Å; F160-N163 PolarHBondContact O-N 3Å; L161-N163 PolarHBondContact O-N 3.1Å; N163-R165 PolarHBondContact O-N 3.12Å
164	L	87.9	Confident	87.1	Confident	7 Å²	7	83.7 Å²	83.7	4%	0.037	41%	0.412	C	S	.	.			trans	-82	81.9	-179.4	-58.5	-179.4	0	0	0	110.6	L141 L144 F160 L161 P162 N166 L167	L141-L164 HydrophobicContact CB-CD2 4.38Å; L144-L164 HydrophobicContact CD2-CD1 4.05Å; F160-L164 HydrophobicContact CD2-CD1 4.12Å; F160-L164 HydrophobicContact CD2-CG 4.37Å; F160-L164 HydrophobicContact CE2-CD1 4.11Å; L161-L164 HydrophobicContact CD2-CD1 4.06Å; L161-L164 WeakPolarHBondContact O-CB 3.07Å; L161-L164 PolarHBondContact O-N 2.81Å; L161-L164 VanDerWaalsContact O-N 3.11Å; P162-L164 VanDerWaalsContact C-N 3.29Å; L164-N166 PolarHBondContact O-N 2.88Å; L164-N166 VanDerWaalsContact O-N 3.1Å; L164-L167 HydrophobicContact CB-CB 3.83Å; L164-L167 HydrophobicContact CB-CD2 4.1Å; L164-L167 HydrophobicContact CD1-CD2 3.99Å; L164-L167 WeakPolarHBondContact O-CB 3.3Å; L164-L167 PolarHBondContact O-N 3.03Å
165	R	87.6	Confident	87	Confident	235 Å²	235	83.6 Å²	83.6	89%	0.887	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.1	-172.4	-61.8	-175.7	-178.4	-177.1	-0.1	115.5	N163	N163-R165 PolarHBondContact O-N 3.12Å
166	N	90.8	Very high	86.9	Confident	73 Å²	73	80.7 Å²	80.7	39%	0.39	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.1	-179.7	-72.7	-27.1	0	0	0	113.3	S142 L144 Q145 L164 T168	S142-N166 PolarHBondContact O-ND2 3.27Å; L144-N166 CarbonylContact O-C 3.21Å; Q145-N166 WeakPolarHBondContact CA-O 3.34Å; L164-N166 PolarHBondContact O-N 2.88Å; L164-N166 VanDerWaalsContact O-N 3.1Å; N166-T168 PolarHBondContact O-N 3.42Å
167	L	90.5	Very high	86.6	Confident	36 Å²	36	74.6 Å²	74.6	19%	0.188	38%	0.376	C	S	.	.			trans	-73.7	114.7	-175.5	-167.6	66.2	0	0	0	110	L144 L147 L161 L164 V170	L144-L167 HydrophobicContact CD2-CD1 4.24Å; L144-L167 HydrophobicContact CG-CD1 4.23Å; L144-L167 WeakPolarHBondContact O-CA 3.45Å; L144-L167 PolarHBondContact O-N 2.87Å; L144-L167 VanDerWaalsContact O-N 3.16Å; L147-L167 HydrophobicContact CB-CD1 3.88Å; L161-L167 HydrophobicContact CB-CD2 4.49Å; L161-L167 HydrophobicContact CD2-CD2 4.09Å; L164-L167 HydrophobicContact CB-CB 3.83Å; L164-L167 HydrophobicContact CB-CD2 4.1Å; L164-L167 HydrophobicContact CD1-CD2 3.99Å; L164-L167 WeakPolarHBondContact O-CB 3.3Å; L164-L167 PolarHBondContact O-N 3.03Å; L167-V170 HydrophobicContact CD1-CG2 4.14Å; L167-V170 HydrophobicContact CD2-CG2 3.27Å; L167-V170 HydrophobicContact CG-CG2 3.62Å
168	T	85.8	Confident	85.7	Confident	104 Å²	104	73 Å²	73	64%	0.638	37%	0.366	S	S	*	.			trans	-107.1	-24.8	-178	59.9	0	0	0	0	112.5	Q145 N166	Q145-T168 PolarHBondContact O-N 3.5Å; Q145-T168 PolarHBondContact O-OG1 3.36Å; Q145-T168 VanDerWaalsContact O-OG1 3.06Å; N166-T168 PolarHBondContact O-N 3.42Å
169	K	87.9	Confident	84.5	Confident	126 Å²	126	78.4 Å²	78.4	55%	0.548	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.2	-177.9	-58.9	-178.6	-165.4	158.5	0	110.6	Q145 E146 L147	Q145-K169 PolarHBondContact O-N 3.1Å; E146-K169 WeakPolarHBondContact CA-O 3.18Å; E146-K169 HydrophobicContact CB-CB 4.47Å; E146-K169 HydrophobicContact CG-CB 4.18Å; E146-K169 HydrophobicContact CG-CD 4.12Å; E146-K169 HydrophobicContact CG-CG 4.43Å; E146-K169 WeakPolarHBondContact OE1-CD 3.42Å; E146-K169 WeakPolarHBondContact OE1-CE 3.32Å; E146-K169 IonicContact OE1-NZ 2.59Å; E146-K169 PolarHBondContact OE1-NZ 3.12Å; L147-K169 PolarHBondContact N-O 2.78Å
170	V	88.9	Confident	83	Confident	64 Å²	64	73.3 Å²	73.3	39%	0.388	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126	170.3	-176.1	0	0	0	0	108.6	L147 L161 L167 L172	L147-V170 VanDerWaalsContact O-CA 3.3Å; L147-V170 WeakPolarHBondContact O-CA 3.31Å; L161-V170 HydrophobicContact CD1-CG1 4.06Å; L167-V170 HydrophobicContact CD1-CG2 4.14Å; L167-V170 HydrophobicContact CD2-CG2 3.27Å; L167-V170 HydrophobicContact CG-CG2 3.62Å; V170-L172 HydrophobicContact CG1-CD1 3.92Å; V170-L172 HydrophobicContact CG1-CG 3.97Å
171	N	85.6	Confident	81.2	Confident	53 Å²	53	77.9 Å²	77.9	28%	0.283	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.3	173.5	-175.3	-2	0	0	0	110	L147 L149 F150 I173	L147-N171 PolarHBondContact O-N 3.18Å; L149-N171 CarbonylContact C-O 3.43Å; L149-N171 WeakPolarHBondContact CA-O 3.17Å; L149-N171 PolarHBondContact N-O 3.26Å; F150-N171 PolarHBondContact N-O 3.04Å; N171-I173 VanDerWaalsContact OD1-CB 3.31Å; N171-I173 WeakPolarHBondContact OD1-CB 3.38Å; N171-I173 WeakPolarHBondContact OD1-CD1 3.35Å; N171-I173 VanDerWaalsContact OD1-CG1 3.28Å; N171-I173 WeakPolarHBondContact OD1-CG1 3.35Å; N171-I173 PolarHBondContact OD1-N 3.47Å
172	L	87.8	Confident	79.4	Confident	25 Å²	25	80 Å²	80	13%	0.131	42%	0.417	C	S	.	.			trans	-110.4	7.1	176.3	-78.7	159	0	0	0	112.6	L149 V157 V170 N175 T178	L149-L172 HydrophobicContact CB-CD2 3.85Å; L149-L172 HydrophobicContact CD1-CD2 3.78Å; L149-L172 HydrophobicContact CG-CD2 4.48Å; V157-L172 HydrophobicContact CG1-CD1 4.14Å; V157-L172 HydrophobicContact CG2-CD1 4.15Å; V170-L172 HydrophobicContact CG1-CD1 3.92Å; V170-L172 HydrophobicContact CG1-CG 3.97Å; L172-N175 WeakPolarHBondContact O-CB 3.46Å; L172-N175 PolarHBondContact O-N 3.36Å; L172-N175 PolarHBondContact O-ND2 3.24Å; L172-T178 HydrophobicContact CB-CG2 3.95Å; L172-T178 WeakPolarHBondContact O-CG2 3.47Å
173	I	84.2	Confident	77.8	Confident	109 Å²	109	79.3 Å²	79.3	56%	0.559	40%	0.404	S	S	*	.			trans	-55.1	143.9	-173.7	-64.6	166.3	0	0	0	110.7	F150 D151 N171	F150-I173 CarbonylContact C-O 3.55Å; F150-I173 WeakPolarHBondContact CA-O 3.15Å; F150-I173 VanDerWaalsContact CB-O 3.29Å; F150-I173 WeakPolarHBondContact CB-O 3.21Å; D151-I173 PolarHBondContact N-O 2.83Å; N171-I173 VanDerWaalsContact OD1-CB 3.31Å; N171-I173 WeakPolarHBondContact OD1-CB 3.38Å; N171-I173 WeakPolarHBondContact OD1-CD1 3.35Å; N171-I173 VanDerWaalsContact OD1-CG1 3.28Å; N171-I173 WeakPolarHBondContact OD1-CG1 3.35Å; N171-I173 PolarHBondContact OD1-N 3.47Å
174	R	82.7	Confident	76.2	Confident	149 Å²	149	77.5 Å²	77.5	56%	0.562	40%	0.399	S	S	*	.	S	Bend	trans	59.3	44.3	-176.8	-62.1	174.2	67.7	-146.2	-11.1	112.8	D151	D151-R174 WeakPolarHBondContact CA-O 3.47Å; D151-R174 WeakPolarHBondContact OD1-CB 3.38Å; D151-R174 VanDerWaalsContact OD1-CD 3.26Å; D151-R174 WeakPolarHBondContact OD1-CD 3.43Å; D151-R174 IonicContact OD1-CZ 2.63Å; D151-R174 IonicContact OD1-NE 2.91Å; D151-R174 PolarHBondContact OD1-NE 3.13Å; D151-R174 IonicContact OD1-NH1 3.97Å; D151-R174 PolarHBondContact OD1-NH1 3.15Å; D151-R174 IonicContact OD1-NH2 2.87Å; D151-R174 PolarHBondContact OD1-NH2 3.31Å; D151-R174 WeakPolarHBondContact OD2-CD 3.37Å; D151-R174 IonicContact OD2-CZ 3.28Å; D151-R174 VanDerWaalsContact OD2-CZ 3.28Å; D151-R174 IonicContact OD2-NE 2.75Å; D151-R174 IonicContact OD2-NH1 3.22Å; D151-R174 PolarHBondContact OD2-NH1 2.89Å
175	N	85.8	Confident	74.6	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	-118.6	150.6	163.1	-79	-85.2	0	0	0	110.4	L149 N152 Q153 F154 L172 C177 T178 F179	L149-N175 PolarHBondContact O-ND2 3.1Å; N152-N175 VanDerWaalsContact CA-OD1 3.22Å; N152-N175 WeakPolarHBondContact CA-OD1 3.39Å; N152-N175 WeakPolarHBondContact CB-OD1 3.35Å; N152-N175 PolarHBondContact N-OD1 3.27Å; N152-N175 PolarHBondContact O-OD1 3.28Å; N152-N175 VanDerWaalsContact O-OD1 3.11Å; Q153-N175 PolarHBondContact N-OD1 3.14Å; F154-N175 HydrophobicContact CB-CB 4.14Å; F154-N175 VanDerWaalsContact CD2-OD1 3.31Å; F154-N175 WeakPolarHBondContact CD2-OD1 3.33Å; F154-N175 PolarHBondContact N-OD1 3.11Å; F154-N175 VanDerWaalsContact N-OD1 3.08Å; L172-N175 WeakPolarHBondContact O-CB 3.46Å; L172-N175 PolarHBondContact O-N 3.36Å; L172-N175 PolarHBondContact O-ND2 3.24Å; N175-C177 PolarHBondContact O-N 3.18Å; N175-C177 VanDerWaalsContact O-N 3.11Å; N175-T178 PolarHBondContact N-OG1 2.49Å; N175-T178 PolarHBondContact O-N 2.98Å; N175-T178 PolarHBondContact O-OG1 3.15Å; N175-F179 VanDerWaalsContact O-CD2 3.23Å; N175-F179 WeakPolarHBondContact O-CD2 3.34Å
176	P	87.8	Confident	72.6	Confident	60 Å²	60	77.3 Å²	77.3	39%	0.39	40%	0.402	S	S	.	.	H	α-helix	trans	-49.2	-37.7	175.5	-28.4	34	0	0	0	114.5	F154 I155 T178 F179 A180	F154-P176 VanDerWaalsContact O-CD 3.26Å; F154-P176 WeakPolarHBondContact O-CD 3.34Å; I155-P176 HydrophobicContact CG2-CB 4.12Å; I155-P176 HydrophobicContact CG2-CG 4.5Å; P176-T178 PolarHBondContact O-N 2.62Å; P176-F179 PolarHBondContact O-N 3.36Å; P176-A180 PolarHBondContact O-N 3.29Å; P176-A180 VanDerWaalsContact O-N 3.12Å
177	C	80.7	Confident	70.8	Confident	15 Å²	15	77 Å²	77	10%	0.101	40%	0.4	C	S	.	.	H	α-helix	trans	-61.4	-29.6	177.9	65.4	0	0	0	0	113.9	F154 I155 N175 H181	F154-C177 WeakPolarHBondContact O-CB 3.36Å; F154-C177 PolarHBondContact O-N 3.34Å; F154-C177 PolarHBondContact O-SG 2.96Å; I155-C177 VanDerWaalsContact C-CB 3.48Å; I155-C177 WeakPolarHBondContact O-CB 3.35Å; N175-C177 PolarHBondContact O-N 3.18Å; N175-C177 VanDerWaalsContact O-N 3.11Å; C177-H181 PolarHBondContact O-N 3.37Å
178	T	70.4	Confident	68.8	Low	47 Å²	47	83.4 Å²	83.4	29%	0.288	42%	0.421	S	S	.	.	H	α-helix	trans	-75.2	-32	178.4	58.7	0	0	0	0	112.4	L172 N175 P176 A182	L172-T178 HydrophobicContact CB-CG2 3.95Å; L172-T178 WeakPolarHBondContact O-CG2 3.47Å; N175-T178 PolarHBondContact N-OG1 2.49Å; N175-T178 PolarHBondContact O-N 2.98Å; N175-T178 PolarHBondContact O-OG1 3.15Å; P176-T178 PolarHBondContact O-N 2.62Å; T178-A182 WeakPolarHBondContact O-CB 3.31Å; T178-A182 PolarHBondContact O-N 3.33Å; T178-A182 VanDerWaalsContact O-N 3.12Å
179	F	59.5	Low	67.1	Low	130 Å²	130	84.7 Å²	84.7	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-76.5	-37.1	176.4	-62.4	-75.9	0	0	0	111.9	N175 P176 H181 A182 E183	N175-F179 VanDerWaalsContact O-CD2 3.23Å; N175-F179 WeakPolarHBondContact O-CD2 3.34Å; P176-F179 PolarHBondContact O-N 3.36Å; F179-H181 VanDerWaalsContact C-N 3.27Å; F179-H181 PolarHBondContact O-N 2.57Å; F179-A182 PolarHBondContact O-N 2.81Å; F179-E183 WeakPolarHBondContact O-CB 3.43Å; F179-E183 PolarHBondContact O-N 3.04Å
180	A	54.1	Low	65.4	Low	64 Å²	64	82.2 Å²	82.2	53%	0.529	41%	0.408	S	S	.	.	H	α-helix	trans	-60.5	-37.7	176.2	0	0	0	0	0	112.2	P176 S184	P176-A180 PolarHBondContact O-N 3.29Å; P176-A180 VanDerWaalsContact O-N 3.12Å; A180-S184 VanDerWaalsContact O-CB 3.32Å; A180-S184 WeakPolarHBondContact O-CB 3.24Å; A180-S184 PolarHBondContact O-N 3.11Å; A180-S184 VanDerWaalsContact O-N 3.14Å; A180-S184 PolarHBondContact O-OG 2.87Å; A180-S184 VanDerWaalsContact O-OG 3.11Å
181	H	49.4	Very low	63.5	Low	115 Å²	115	85.6 Å²	85.6	53%	0.532	42%	0.418	S	S	.	.	H	α-helix	trans	-76.9	-37.9	176	-162.6	-12.5	0	0	0	112.6	C177 F179 S184 E185	C177-H181 PolarHBondContact O-N 3.37Å; F179-H181 VanDerWaalsContact C-N 3.27Å; F179-H181 PolarHBondContact O-N 2.57Å; H181-S184 WeakPolarHBondContact CA-OG 3.25Å; H181-S184 PolarHBondContact O-N 3.4Å; H181-S184 PolarHBondContact O-OG 2.86Å; H181-E185 VanDerWaalsContact CE1-CG 3.45Å; H181-E185 WeakPolarHBondContact CE1-CG 3.4Å; H181-E185 IonicContact CE1-OE1 3.58Å; H181-E185 WeakPolarHBondContact ND1-CG 3.38Å; H181-E185 WeakPolarHBondContact O-CB 3.34Å; H181-E185 WeakPolarHBondContact O-CG 3.2Å; H181-E185 PolarHBondContact O-N 3.43Å
182	A	49.5	Very low	61.5	Low	60 Å²	60	87.9 Å²	87.9	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-39.8	177.3	0	0	0	0	0	112	T178 F179 R186	T178-A182 WeakPolarHBondContact O-CB 3.31Å; T178-A182 PolarHBondContact O-N 3.33Å; T178-A182 VanDerWaalsContact O-N 3.12Å; F179-A182 PolarHBondContact O-N 2.81Å; A182-R186 WeakPolarHBondContact O-CB 3.28Å; A182-R186 PolarHBondContact O-N 2.82Å
183	E	51.3	Low	59.4	Low	97 Å²	97	91.8 Å²	91.8	45%	0.453	45%	0.447	S	S	.	.	H	α-helix	trans	-72.5	-39.1	177.1	-167.9	62.8	-162.9	0	0	111.6	F179 R186 I187	F179-E183 WeakPolarHBondContact O-CB 3.43Å; F179-E183 PolarHBondContact O-N 3.04Å; E183-R186 PolarHBondContact O-N 2.81Å; E183-I187 HydrophobicContact CG-CD1 3.95Å; E183-I187 HydrophobicContact CG-CG1 4.49Å; E183-I187 WeakPolarHBondContact O-CB 3.48Å; E183-I187 WeakPolarHBondContact O-CG1 2.97Å; E183-I187 PolarHBondContact O-N 3.11Å
184	S	51	Low	57.4	Low	59 Å²	59	93.5 Å²	93.5	41%	0.413	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-38	176.1	67.9	0	0	0	0	112.5	A180 H181 R188	A180-S184 VanDerWaalsContact O-CB 3.32Å; A180-S184 WeakPolarHBondContact O-CB 3.24Å; A180-S184 PolarHBondContact O-N 3.11Å; A180-S184 VanDerWaalsContact O-N 3.14Å; A180-S184 PolarHBondContact O-OG 2.87Å; A180-S184 VanDerWaalsContact O-OG 3.11Å; H181-S184 WeakPolarHBondContact CA-OG 3.25Å; H181-S184 PolarHBondContact O-N 3.4Å; H181-S184 PolarHBondContact O-OG 2.86Å; S184-R188 WeakPolarHBondContact O-CB 3.15Å; S184-R188 PolarHBondContact O-N 3.19Å
185	E	54.3	Low	55.3	Low	91 Å²	91	94.5 Å²	94.5	43%	0.425	46%	0.461	S	S	.	.	H	α-helix	trans	-70.9	-37	172.5	-75.6	-60.5	142	0	0	112.1	H181 R188 K189	H181-E185 VanDerWaalsContact CE1-CG 3.45Å; H181-E185 WeakPolarHBondContact CE1-CG 3.4Å; H181-E185 IonicContact CE1-OE1 3.58Å; H181-E185 WeakPolarHBondContact ND1-CG 3.38Å; H181-E185 WeakPolarHBondContact O-CB 3.34Å; H181-E185 WeakPolarHBondContact O-CG 3.2Å; H181-E185 PolarHBondContact O-N 3.43Å; E185-R188 PolarHBondContact O-N 3.45Å; E185-K189 WeakPolarHBondContact O-CB 3.12Å; E185-K189 PolarHBondContact O-N 2.8Å
186	R	47.3	Very low	53.2	Low	147 Å²	147	102.1 Å²	102.1	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-62.2	-49.4	172.5	-175.7	-179.4	179.3	164.8	4.1	111.2	A182 E183 R188 K189 E190	A182-R186 WeakPolarHBondContact O-CB 3.28Å; A182-R186 PolarHBondContact O-N 2.82Å; E183-R186 PolarHBondContact O-N 2.81Å; R186-R188 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 2.95Å; R186-K189 PolarHBondContact O-N 3.03Å; R186-E190 HydrophobicContact CG-CG 4.44Å; R186-E190 WeakPolarHBondContact CG-OE1 3.42Å; R186-E190 IonicContact CZ-OE1 3.84Å; R186-E190 IonicContact NE-OE1 2.96Å; R186-E190 PolarHBondContact NE-OE1 2.94Å; R186-E190 IonicContact NH2-OE1 3.83Å; R186-E190 VanDerWaalsContact O-CB 3.31Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 WeakPolarHBondContact O-CG 3.4Å; R186-E190 PolarHBondContact O-N 3.14Å
187	I	52.3	Low	50.7	Low	67 Å²	67	104.7 Å²	104.7	34%	0.344	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-38.1	174.7	-68.3	166.6	0	0	0	110.7	E183 K191	E183-I187 HydrophobicContact CG-CD1 3.95Å; E183-I187 HydrophobicContact CG-CG1 4.49Å; E183-I187 WeakPolarHBondContact O-CB 3.48Å; E183-I187 WeakPolarHBondContact O-CG1 2.97Å; E183-I187 PolarHBondContact O-N 3.11Å; I187-K191 HydrophobicContact CG2-CD 4.04Å; I187-K191 HydrophobicContact CG2-CG 4.35Å; I187-K191 WeakPolarHBondContact O-CB 3.16Å; I187-K191 VanDerWaalsContact O-CG 3.23Å; I187-K191 WeakPolarHBondContact O-CG 3.23Å; I187-K191 PolarHBondContact O-N 3.39Å
188	R	49.3	Very low	48.4	Very low	169 Å²	169	111.9 Å²	111.9	64%	0.638	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-41	177.2	-176.7	-177.8	170.3	92.7	3.1	111.2	S184 E185 R186 K191 L192	S184-R188 WeakPolarHBondContact O-CB 3.15Å; S184-R188 PolarHBondContact O-N 3.19Å; E185-R188 PolarHBondContact O-N 3.45Å; R186-R188 VanDerWaalsContact C-N 3.3Å; R186-R188 PolarHBondContact O-N 2.95Å; R188-K191 PolarHBondContact O-N 3.11Å; R188-L192 VanDerWaalsContact O-CB 3.28Å; R188-L192 WeakPolarHBondContact O-CB 3.32Å; R188-L192 PolarHBondContact O-N 3.34Å
189	K	49.3	Very low	46.7	Very low	131 Å²	131	117.4 Å²	117.4	57%	0.57	56%	0.557	S	S	*	*	H	α-helix	trans	-70.9	-44.3	177.6	-165.6	177.4	179.4	-172.8	0	111.3	E185 R186 K191 L192 E193	E185-K189 WeakPolarHBondContact O-CB 3.12Å; E185-K189 PolarHBondContact O-N 2.8Å; R186-K189 PolarHBondContact O-N 3.03Å; K189-K191 VanDerWaalsContact C-N 3.32Å; K189-K191 PolarHBondContact O-N 3.21Å; K189-L192 PolarHBondContact O-N 3.21Å; K189-L192 VanDerWaalsContact O-N 3.11Å; K189-E193 VanDerWaalsContact CE-OE1 3.3Å; K189-E193 WeakPolarHBondContact CE-OE1 3.36Å; K189-E193 WeakPolarHBondContact O-CB 3.3Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.15Å
190	E	52.1	Low	45.5	Very low	75 Å²	75	119.7 Å²	119.7	35%	0.35	57%	0.574	S	S	.	*	H	α-helix	trans	-61.3	-38.5	171.1	-73.9	173.6	-172.1	0	0	111.2	R186 Q194	R186-E190 HydrophobicContact CG-CG 4.44Å; R186-E190 WeakPolarHBondContact CG-OE1 3.42Å; R186-E190 IonicContact CZ-OE1 3.84Å; R186-E190 IonicContact NE-OE1 2.96Å; R186-E190 PolarHBondContact NE-OE1 2.94Å; R186-E190 IonicContact NH2-OE1 3.83Å; R186-E190 VanDerWaalsContact O-CB 3.31Å; R186-E190 WeakPolarHBondContact O-CB 3.45Å; R186-E190 WeakPolarHBondContact O-CG 3.4Å; R186-E190 PolarHBondContact O-N 3.14Å; E190-Q194 WeakPolarHBondContact O-CB 3.3Å; E190-Q194 WeakPolarHBondContact O-CG 3.29Å; E190-Q194 PolarHBondContact O-N 3.39Å
191	K	48.1	Very low	44.8	Very low	135 Å²	135	120.9 Å²	120.9	59%	0.587	57%	0.574	S	S	*	*	H	α-helix	trans	-71.8	-26	173.1	-81.6	-179	177.7	-178.9	0	113.9	I187 R188 K189 K195	I187-K191 HydrophobicContact CG2-CD 4.04Å; I187-K191 HydrophobicContact CG2-CG 4.35Å; I187-K191 WeakPolarHBondContact O-CB 3.16Å; I187-K191 VanDerWaalsContact O-CG 3.23Å; I187-K191 WeakPolarHBondContact O-CG 3.23Å; I187-K191 PolarHBondContact O-N 3.39Å; R188-K191 PolarHBondContact O-N 3.11Å; K189-K191 VanDerWaalsContact C-N 3.32Å; K189-K191 PolarHBondContact O-N 3.21Å; K191-K195 WeakPolarHBondContact O-CB 3.36Å; K191-K195 PolarHBondContact O-N 3.19Å
192	L	45.3	Very low	44.4	Very low	101 Å²	101	121.6 Å²	121.6	53%	0.529	58%	0.578	S	S	.	*	H	α-helix	trans	-79.7	-43.6	176.7	-165.2	71.6	0	0	0	109.9	R188 K189 K195 E196	R188-L192 VanDerWaalsContact O-CB 3.28Å; R188-L192 WeakPolarHBondContact O-CB 3.32Å; R188-L192 PolarHBondContact O-N 3.34Å; K189-L192 PolarHBondContact O-N 3.21Å; K189-L192 VanDerWaalsContact O-N 3.11Å; L192-K195 WeakPolarHBondContact O-CB 3.26Å; L192-K195 PolarHBondContact O-N 3.05Å; L192-E196 PolarHBondContact O-N 3.04Å
193	E	42	Very low	44.2	Very low	106 Å²	106	124.8 Å²	124.8	50%	0.495	58%	0.583	S	S	.	*	H	α-helix	trans	-62.7	-41	171.8	-70.9	170.3	-176.2	0	0	111	K189 K195 E196 E197	K189-E193 VanDerWaalsContact CE-OE1 3.3Å; K189-E193 WeakPolarHBondContact CE-OE1 3.36Å; K189-E193 WeakPolarHBondContact O-CB 3.3Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.15Å; E193-K195 VanDerWaalsContact C-N 3.25Å; E193-K195 PolarHBondContact O-N 3.06Å; E193-E196 PolarHBondContact O-N 3.04Å; E193-E197 PolarHBondContact O-N 3.29Å
194	Q	43.8	Very low	43.7	Very low	145 Å²	145	124.3 Å²	124.3	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-69.6	-17.1	171.4	-75.2	174.7	14.7	0	0	114.1	E190	E190-Q194 WeakPolarHBondContact O-CB 3.3Å; E190-Q194 WeakPolarHBondContact O-CG 3.29Å; E190-Q194 PolarHBondContact O-N 3.39Å
195	K	37.1	Very low	43.1	Very low	171 Å²	171	129.3 Å²	129.3	74%	0.743	61%	0.605	S	S	*	*	H	α-helix	trans	-85	-20.3	174.9	-116.2	-177	173.5	-173.1	0	112.9	K191 L192 E193	K191-K195 WeakPolarHBondContact O-CB 3.36Å; K191-K195 PolarHBondContact O-N 3.19Å; L192-K195 WeakPolarHBondContact O-CB 3.26Å; L192-K195 PolarHBondContact O-N 3.05Å; E193-K195 VanDerWaalsContact C-N 3.25Å; E193-K195 PolarHBondContact O-N 3.06Å
196	E	42.2	Very low	42.7	Very low	160 Å²	160	127.4 Å²	127.4	75%	0.748	60%	0.597	S	S	*	*	H	α-helix	trans	-93.6	-11.4	178.7	-69.9	-176.4	169.2	0	0	112.9	L192 E193	L192-E196 PolarHBondContact O-N 3.04Å; E193-E196 PolarHBondContact O-N 3.04Å
197	E	35.8	Very low	42.6	Very low	114 Å²	114	123.9 Å²	123.9	53%	0.533	59%	0.594	S	S	.	*			trans	-113.2	74	171.2	-62.4	-171	156.6	0	0	111.8	E193 Y199	E193-E197 PolarHBondContact O-N 3.29Å; E197-Y199 HydrophobicContact CB-CD2 3.92Å; E197-Y199 HydrophobicContact CB-CE2 3.44Å; E197-Y199 VanDerWaalsContact CB-CE2 3.44Å; E197-Y199 HydrophobicContact CG-CE2 4.16Å; E197-Y199 PolarHBondContact O-N 2.93Å; E197-Y199 PolarHBondContact OE1-OH 3.29Å; E197-Y199 WeakPolarHBondContact OE2-CE2 3.37Å; E197-Y199 PolarHBondContact OE2-OH 3.2Å
198	L	31.4	Very low	42.7	Very low	166 Å²	166	129.8 Å²	129.8	87%	0.869	62%	0.617	S	S	*	*			trans	-67.8	85.6	158.8	-86.9	161.9	0	0	0	108.5	L200	L198-L200 PolarHBondContact O-N 2.81Å
199	Y	35.9	Very low	42.6	Very low	162 Å²	162	131.6 Å²	131.6	64%	0.635	62%	0.624	S	S	*	*			trans	-68.1	120.1	166.9	-67.8	-80.2	0	0	0	109.2	E197 V201	E197-Y199 HydrophobicContact CB-CD2 3.92Å; E197-Y199 HydrophobicContact CB-CE2 3.44Å; E197-Y199 VanDerWaalsContact CB-CE2 3.44Å; E197-Y199 HydrophobicContact CG-CE2 4.16Å; E197-Y199 PolarHBondContact O-N 2.93Å; E197-Y199 PolarHBondContact OE1-OH 3.29Å; E197-Y199 WeakPolarHBondContact OE2-CE2 3.37Å; E197-Y199 PolarHBondContact OE2-OH 3.2Å; Y199-V201 PolarHBondContact O-N 3Å
200	L	34.2	Very low	42.3	Very low	178 Å²	178	128 Å²	128	93%	0.932	61%	0.614	S	S	*	*			trans	-60.8	105.4	162.5	-72.1	165.8	0	0	0	107.9	L198	L198-L200 PolarHBondContact O-N 2.81Å
201	V	39	Very low	42.2	Very low	89 Å²	89	126.5 Å²	126.5	54%	0.539	61%	0.609	S	S	.	*			trans	-83.1	117	173.4	178.5	0	0	0	0	107.9	Y199 F205 L206	Y199-V201 PolarHBondContact O-N 3Å; V201-F205 HydrophobicContact CG1-CB 4.11Å; V201-L206 HydrophobicContact CG1-CD2 4.02Å; V201-L206 HydrophobicContact CG1-CG 4.28Å
202	H	42.2	Very low	42.4	Very low	131 Å²	131	128 Å²	128	61%	0.606	62%	0.615	S	S	*	*			trans	-64.7	136	176.1	-169.7	-90.1	0	0	0	110.1	S204 F205	H202-S204 PolarHBondContact ND1-OG 3.2Å; H202-S204 PolarHBondContact O-N 3.04Å; H202-F205 HydrophobicContact CB-CD2 3.87Å; H202-F205 HydrophobicContact CB-CE2 4.07Å; H202-F205 PolarHBondContact O-N 2.9Å
203	E	43.8	Very low	42.5	Very low	127 Å²	127	128.3 Å²	128.3	59%	0.593	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-54.3	-29.6	-170.9	-170.6	178.2	-177.9	0	0	113.5	F205 L206 L211	E203-F205 PolarHBondContact O-N 3.09Å; E203-F205 VanDerWaalsContact O-N 3.12Å; E203-L206 PolarHBondContact O-N 3.12Å; E203-L206 VanDerWaalsContact O-N 3.09Å; E203-L211 HydrophobicContact CG-CD1 4.16Å; E203-L211 HydrophobicContact CG-CD2 4.36Å; E203-L211 HydrophobicContact CG-CG 4.33Å; E203-L211 WeakPolarHBondContact OE1-CD2 3.43Å
204	S	41.1	Very low	42.7	Very low	87 Å²	87	129.8 Å²	129.8	61%	0.608	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-62.1	-15.5	175.7	64.1	0	0	0	0	115	H202	H202-S204 PolarHBondContact ND1-OG 3.2Å; H202-S204 PolarHBondContact O-N 3.04Å
205	F	39.5	Very low	42.7	Very low	164 Å²	164	129.7 Å²	129.7	72%	0.719	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-97.3	-2.6	177.6	-63.1	-72.3	0	0	0	113.5	V201 H202 E203	V201-F205 HydrophobicContact CG1-CB 4.11Å; H202-F205 HydrophobicContact CB-CD2 3.87Å; H202-F205 HydrophobicContact CB-CE2 4.07Å; H202-F205 PolarHBondContact O-N 2.9Å; E203-F205 PolarHBondContact O-N 3.09Å; E203-F205 VanDerWaalsContact O-N 3.12Å
206	L	45.4	Very low	43.1	Very low	50 Å²	50	124.8 Å²	124.8	26%	0.262	62%	0.619	S	S	.	*	S	Bend	trans	-90	135.4	178.7	-64.5	175.9	0	0	0	110.9	V201 E203 C210 L211	V201-L206 HydrophobicContact CG1-CD2 4.02Å; V201-L206 HydrophobicContact CG1-CG 4.28Å; E203-L206 PolarHBondContact O-N 3.12Å; E203-L206 VanDerWaalsContact O-N 3.09Å; L206-C210 HydrophobicContact CB-CB 4.43Å; L206-C210 HydrophobicContact CD2-CB 4.39Å; L206-L211 HydrophobicContact CB-CD1 3.68Å
207	C	45.5	Very low	43.1	Very low	73 Å²	73	123.7 Å²	123.7	49%	0.493	62%	0.618	S	S	.	*			trans	-73.9	157.9	173.6	82.3	0	0	0	0	111.1	R209 C210 L211	C207-R209 PolarHBondContact O-N 3.28Å; C207-C210 WeakPolarHBondContact O-CA 3.49Å; C207-C210 WeakPolarHBondContact O-CB 3.47Å; C207-C210 PolarHBondContact O-N 3.01Å; C207-C210 PolarHBondContact SG-SG 3.26Å; C207-L211 PolarHBondContact O-N 2.85Å
208	K	54.2	Low	43	Very low	191 Å²	191	125.3 Å²	125.3	83%	0.83	63%	0.627	S	S	*	*	H	α-helix	trans	-53.8	-28.9	-177.6	-72.1	-175.2	177.4	-179.1	0	114.5
209	R	45.8	Very low	43.1	Very low	208 Å²	208	122.8 Å²	122.8	79%	0.785	62%	0.619	S	S	*	*	H	α-helix	trans	-75.5	-33.4	176.5	-168.3	173.8	-178.4	177.6	-0.1	112.2	C207 I213	C207-R209 PolarHBondContact O-N 3.28Å; R209-I213 WeakPolarHBondContact O-CG1 3.46Å
210	C	43.8	Very low	43.1	Very low	54 Å²	54	120.8 Å²	120.8	37%	0.365	63%	0.625	S	S	.	*	H	α-helix	trans	-79.4	-33.4	177.8	-64.5	0	0	0	0	112.4	L206 C207 K212 I213 F214	L206-C210 HydrophobicContact CB-CB 4.43Å; L206-C210 HydrophobicContact CD2-CB 4.39Å; C207-C210 WeakPolarHBondContact O-CA 3.49Å; C207-C210 WeakPolarHBondContact O-CB 3.47Å; C207-C210 PolarHBondContact O-N 3.01Å; C207-C210 PolarHBondContact SG-SG 3.26Å; C210-K212 PolarHBondContact O-N 3.49Å; C210-I213 PolarHBondContact O-N 3Å; C210-F214 PolarHBondContact O-N 3.45Å
211	L	50.7	Low	43.2	Very low	45 Å²	45	119.8 Å²	119.8	24%	0.236	62%	0.621	C	S	.	*	H	α-helix	trans	-58.2	-46	171.6	-113.7	102.5	0	0	0	112	E203 L206 C207 I213 F214 E215	E203-L211 HydrophobicContact CG-CD1 4.16Å; E203-L211 HydrophobicContact CG-CD2 4.36Å; E203-L211 HydrophobicContact CG-CG 4.33Å; E203-L211 WeakPolarHBondContact OE1-CD2 3.43Å; L206-L211 HydrophobicContact CB-CD1 3.68Å; C207-L211 PolarHBondContact O-N 2.85Å; L211-I213 PolarHBondContact O-N 3.26Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 3.01Å; L211-E215 PolarHBondContact O-N 2.99Å
212	K	51.3	Low	42.9	Very low	165 Å²	165	120.2 Å²	120.2	72%	0.717	63%	0.628	S	S	*	*	H	α-helix	trans	-62.3	-26.6	179.1	-84.8	-172.1	173.1	-172.4	0	114.4	C210	C210-K212 PolarHBondContact O-N 3.49Å
213	I	48.8	Very low	42.5	Very low	108 Å²	108	120.2 Å²	120.2	55%	0.554	64%	0.637	S	S	*	*	H	α-helix	trans	-77.9	-33.8	176.2	-64.1	170.1	0	0	0	109.8	R209 C210 L211	R209-I213 WeakPolarHBondContact O-CG1 3.46Å; C210-I213 PolarHBondContact O-N 3Å; L211-I213 PolarHBondContact O-N 3.26Å
214	F	44.4	Very low	41.9	Very low	137 Å²	137	118.6 Å²	118.6	60%	0.601	65%	0.646	S	S	*	*	H	α-helix	trans	-75.2	-37.5	178.9	-112.8	-89.7	0	0	0	113.3	C210 L211 G216 L217	C210-F214 PolarHBondContact O-N 3.45Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 3.01Å; F214-G216 PolarHBondContact O-N 3.23Å; F214-L217 PolarHBondContact O-N 2.98Å
215	E	45	Very low	41.4	Very low	143 Å²	143	118.7 Å²	118.7	67%	0.668	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	176.2	-75.5	178.7	155.6	0	0	113.3	L211	L211-E215 PolarHBondContact O-N 2.99Å
216	G	45.5	Very low	41.2	Very low	69 Å²	69	116.7 Å²	116.7	71%	0.711	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-3.3	-178.3	0	0	0	0	0	116	F214	F214-G216 PolarHBondContact O-N 3.23Å
217	L	42.2	Very low	40.8	Very low	137 Å²	137	119.9 Å²	119.9	72%	0.717	67%	0.674	S	S	*	*	S	Bend	trans	-112.9	2	-172.4	-79	164.6	0	0	0	114.6	F214	F214-L217 PolarHBondContact O-N 2.98Å
218	M	33.4	Very low	40.1	Very low	148 Å²	148	125 Å²	125	73%	0.729	69%	0.691	S	S	*	*			trans	-95	103.8	176.8	-68.6	-71.3	-79.8	0	0	110.6
219	T	34.3	Very low	39.1	Very low	113 Å²	113	123 Å²	123	69%	0.693	69%	0.689	S	S	*	*			trans	-78.5	129.9	151.4	49.7	0	0	0	0	107.8	N221	T219-N221 VanDerWaalsContact C-N 3.31Å; T219-N221 PolarHBondContact O-N 3.02Å
220	P	35.3	Very low	38.3	Very low	119 Å²	119	119.1 Å²	119.1	77%	0.773	69%	0.688	S	S	*	*	S	Bend	trans	-74.7	86.9	178.1	29	-30.8	0	0	0	108.6
221	N	36.9	Very low	37.5	Very low	158 Å²	158	126.8 Å²	126.8	85%	0.845	71%	0.71	S	S	*	*			trans	-178	45.2	157.1	-96	-11.4	0	0	0	113.9	T219	T219-N221 VanDerWaalsContact C-N 3.31Å; T219-N221 PolarHBondContact O-N 3.02Å
222	S	32.5	Very low	36.3	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	74%	0.739	S	S	*	*			trans	-125.8	72.1	159.8	41.9	0	0	0	0	109.5	A224	S222-A224 VanDerWaalsContact C-N 3.28Å; S222-A224 PolarHBondContact O-N 3.3Å
223	V	34	Very low	35.5	Very low	130 Å²	130	138.8 Å²	138.8	79%	0.788	76%	0.762	S	S	*	*			trans	-66	94.6	160.8	-176.9	0	0	0	0	106.3	A225	V223-A225 HydrophobicContact CG1-CB 4.49Å; V223-A225 PolarHBondContact O-N 3.2Å
224	A	29.3	Very low	34.9	Very low	94 Å²	94	140.3 Å²	140.3	78%	0.777	77%	0.773	S	S	*	*			trans	-71.9	90.4	157.6	0	0	0	0	0	106.3	S222 V226	S222-A224 VanDerWaalsContact C-N 3.28Å; S222-A224 PolarHBondContact O-N 3.3Å; A224-V226 PolarHBondContact O-N 2.88Å
225	A	31.3	Very low	34.4	Very low	88 Å²	88	140.5 Å²	140.5	73%	0.727	78%	0.782	S	S	*	*			trans	-57.5	123	172.4	0	0	0	0	0	108.9	V223	V223-A225 HydrophobicContact CG1-CB 4.49Å; V223-A225 PolarHBondContact O-N 3.2Å
226	V	36.3	Very low	33.8	Very low	123 Å²	123	140.3 Å²	140.3	75%	0.745	79%	0.788	S	S	*	*			trans	-66.2	135	174.3	175.9	0	0	0	0	108.8	A224	A224-V226 PolarHBondContact O-N 2.88Å
227	T	37.2	Very low	33.1	Very low	117 Å²	117	144.5 Å²	144.5	72%	0.718	79%	0.793	S	S	*	*			trans	55.7	122.7	158.2	57.5	0	0	0	0	119
228	Q	29.5	Very low	32.5	Very low	181 Å²	181	145 Å²	145	85%	0.846	80%	0.797	S	S	*	*				-172.2	120.1	125.3	-103	164	8.1	0	0	111.5
229	D	33.7	Very low	32.5	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	80%	0.802	S	S	*	*			trans	24.5	148.4	143.6	-57	-47.9	0	0	0	123.3
230	V	30	Very low	32.3	Very low	127 Å²	127	147.1 Å²	147.1	77%	0.77	81%	0.81	S	S	*	*			trans	102.6	101.8	146.7	-160.5	0	0	0	0	119.3
231	W	25.9	Very low	32.1	Very low	216 Å²	216	149.2 Å²	149.2	82%	0.818	81%	0.813	S	S	*	*			trans	14	139.2	139.4	-59.1	93.1	0	0	0	124.8
232	R	24.9	Very low	31.7	Very low	226 Å²	226	148.5 Å²	148.5	85%	0.853	81%	0.81	S	S	*	*			trans	65	143.9	146.8	-71.3	-178.1	179.1	-172.8	0	118.2
233	I	35.9	Very low	31.6	Very low	235 Å²	235	153.1 Å²	153.1	100%	1.205	82%	0.821	S	S	*	*			cis	-122.1	0	11.8	-62.6	171.8	0	0	0	109.3

Retrieved 233 of 233 residues in 380.4 ms (Link to these results)

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